USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 907 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 69 THR OG1 : rot -73:sc= 1.22 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= -0.0563 USER MOD Single : A 1 SER N :NH3+ -143:sc= 0.125 (180deg=0.00325) USER MOD Single : A 1 SER OG : rot 46:sc= 0.447 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -0.0937 F(o=-1.2,f=-0.094) USER MOD Single : A 15 ASN : amide:sc= -0.436 K(o=-0.44,f=-1.6) USER MOD Single : A 19 SER OG : rot -28:sc= 0.776 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -177:sc= 1.42 USER MOD Single : A 26 THR OG1 : rot -15:sc= 1.21 USER MOD Single : A 28 THR OG1 : rot -106:sc= -0.355 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0918 USER MOD Single : A 38 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.16) USER MOD Single : A 40 MET CE :methyl 167:sc= -0.0087 (180deg=-0.167) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.0833 X(o=0.083,f=-0.17) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -101:sc= -0.309 (180deg=-1.03) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc=-0.00589 X(o=-0.0059,f=-0.33) USER MOD Single : A 74 HIS : no HD1:sc= -6.85! C(o=-6.9!,f=-6.9!) USER MOD Single : A 80 GLN : amide:sc= -0.0907 X(o=-0.091,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 90 GLN : amide:sc= -2.98 K(o=-3,f=-4.6!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 170:sc=-0.00473 USER MOD Single : A 104 ASN : amide:sc= -2.2 K(o=-2.2,f=-7.3!) USER MOD Single : A 107 THR OG1 : rot -154:sc= 0.399 USER MOD Single : A 109 HIS :FLIP no HD1:sc= -0.14 F(o=-1.2,f=-0.14) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.655 4.605 17.445 1.00 0.00 N ATOM 2 CA SER A 1 -14.135 4.902 16.080 1.00 0.00 C ATOM 3 C SER A 1 -15.166 4.464 15.035 1.00 0.00 C ATOM 4 O SER A 1 -15.291 3.287 14.735 1.00 0.00 O ATOM 5 CB SER A 1 -12.826 4.139 15.860 1.00 0.00 C ATOM 6 OG SER A 1 -12.988 2.795 16.291 1.00 0.00 O ATOM 0 H1 SER A 1 -14.370 5.363 18.098 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.693 4.546 17.416 1.00 0.00 H new ATOM 0 H3 SER A 1 -14.266 3.699 17.775 1.00 0.00 H new ATOM 0 HA SER A 1 -13.953 5.972 15.982 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.550 4.164 14.806 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.017 4.615 16.413 1.00 0.00 H new ATOM 0 HG SER A 1 -13.836 2.442 15.949 1.00 0.00 H new ATOM 14 N VAL A 2 -15.902 5.410 14.488 1.00 0.00 N ATOM 15 CA VAL A 2 -16.940 5.084 13.458 1.00 0.00 C ATOM 16 C VAL A 2 -16.262 4.523 12.201 1.00 0.00 C ATOM 17 O VAL A 2 -16.358 3.337 11.923 1.00 0.00 O ATOM 18 CB VAL A 2 -17.729 6.350 13.107 1.00 0.00 C ATOM 19 CG1 VAL A 2 -18.872 5.993 12.155 1.00 0.00 C ATOM 20 CG2 VAL A 2 -18.308 6.958 14.386 1.00 0.00 C ATOM 0 H VAL A 2 -15.824 6.401 14.716 1.00 0.00 H new ATOM 0 HA VAL A 2 -17.625 4.335 13.856 1.00 0.00 H new ATOM 0 HB VAL A 2 -17.066 7.069 12.626 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -19.433 6.894 11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.464 5.556 11.244 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.535 5.274 12.636 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.870 7.859 14.139 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -18.971 6.237 14.864 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.496 7.212 15.068 1.00 0.00 H new ATOM 30 N GLY A 3 -15.580 5.365 11.447 1.00 0.00 N ATOM 31 CA GLY A 3 -14.888 4.901 10.203 1.00 0.00 C ATOM 32 C GLY A 3 -15.788 5.152 8.992 1.00 0.00 C ATOM 33 O GLY A 3 -16.396 6.204 8.875 1.00 0.00 O ATOM 0 H GLY A 3 -15.476 6.360 11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -13.942 5.430 10.082 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -14.652 3.840 10.280 1.00 0.00 H new ATOM 37 N THR A 4 -15.871 4.190 8.098 1.00 0.00 N ATOM 38 CA THR A 4 -16.725 4.338 6.878 1.00 0.00 C ATOM 39 C THR A 4 -16.770 2.995 6.118 1.00 0.00 C ATOM 40 O THR A 4 -16.099 2.812 5.111 1.00 0.00 O ATOM 41 CB THR A 4 -16.144 5.445 5.985 1.00 0.00 C ATOM 42 OG1 THR A 4 -16.915 5.544 4.795 1.00 0.00 O ATOM 43 CG2 THR A 4 -14.693 5.112 5.628 1.00 0.00 C ATOM 0 H THR A 4 -15.377 3.300 8.166 1.00 0.00 H new ATOM 0 HA THR A 4 -17.741 4.612 7.163 1.00 0.00 H new ATOM 0 HB THR A 4 -16.174 6.394 6.520 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.547 6.251 4.225 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.284 5.899 4.995 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.102 5.037 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.658 4.162 5.094 1.00 0.00 H new ATOM 51 N SER A 5 -17.557 2.051 6.609 1.00 0.00 N ATOM 52 CA SER A 5 -17.666 0.710 5.945 1.00 0.00 C ATOM 53 C SER A 5 -16.300 0.017 5.953 1.00 0.00 C ATOM 54 O SER A 5 -15.299 0.611 6.318 1.00 0.00 O ATOM 55 CB SER A 5 -18.150 0.890 4.503 1.00 0.00 C ATOM 56 OG SER A 5 -19.127 -0.099 4.210 1.00 0.00 O ATOM 0 H SER A 5 -18.129 2.159 7.446 1.00 0.00 H new ATOM 0 HA SER A 5 -18.381 0.094 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.573 1.886 4.371 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.311 0.805 3.812 1.00 0.00 H new ATOM 0 HG SER A 5 -19.441 0.014 3.288 1.00 0.00 H new ATOM 62 N CYS A 6 -16.266 -1.240 5.556 1.00 0.00 N ATOM 63 CA CYS A 6 -14.981 -2.013 5.530 1.00 0.00 C ATOM 64 C CYS A 6 -14.376 -2.052 6.934 1.00 0.00 C ATOM 65 O CYS A 6 -13.812 -1.075 7.399 1.00 0.00 O ATOM 66 CB CYS A 6 -13.996 -1.343 4.569 1.00 0.00 C ATOM 67 SG CYS A 6 -14.528 -1.623 2.863 1.00 0.00 S ATOM 0 H CYS A 6 -17.084 -1.765 5.247 1.00 0.00 H new ATOM 0 HA CYS A 6 -15.181 -3.030 5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -13.943 -0.274 4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.994 -1.746 4.719 1.00 0.00 H new ATOM 72 N ILE A 7 -14.493 -3.179 7.606 1.00 0.00 N ATOM 73 CA ILE A 7 -13.932 -3.316 8.989 1.00 0.00 C ATOM 74 C ILE A 7 -12.523 -3.930 8.914 1.00 0.00 C ATOM 75 O ILE A 7 -12.209 -4.601 7.946 1.00 0.00 O ATOM 76 CB ILE A 7 -14.845 -4.213 9.832 1.00 0.00 C ATOM 77 CG1 ILE A 7 -14.999 -5.583 9.162 1.00 0.00 C ATOM 78 CG2 ILE A 7 -16.221 -3.559 9.964 1.00 0.00 C ATOM 79 CD1 ILE A 7 -15.730 -6.534 10.112 1.00 0.00 C ATOM 0 H ILE A 7 -14.957 -4.014 7.250 1.00 0.00 H new ATOM 0 HA ILE A 7 -13.872 -2.332 9.454 1.00 0.00 H new ATOM 0 HB ILE A 7 -14.402 -4.344 10.819 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.555 -5.484 8.230 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -14.020 -5.988 8.907 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -16.871 -4.197 10.563 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -16.117 -2.588 10.449 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -16.657 -3.425 8.974 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -15.840 -7.509 9.637 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -15.156 -6.642 11.032 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.715 -6.130 10.344 1.00 0.00 H new ATOM 91 N PRO A 8 -11.705 -3.684 9.934 1.00 0.00 N ATOM 92 CA PRO A 8 -10.326 -4.209 9.982 1.00 0.00 C ATOM 93 C PRO A 8 -10.332 -5.692 10.389 1.00 0.00 C ATOM 94 O PRO A 8 -11.290 -6.168 10.974 1.00 0.00 O ATOM 95 CB PRO A 8 -9.646 -3.349 11.052 1.00 0.00 C ATOM 96 CG PRO A 8 -10.775 -2.785 11.945 1.00 0.00 C ATOM 97 CD PRO A 8 -12.073 -2.869 11.121 1.00 0.00 C ATOM 0 HA PRO A 8 -9.815 -4.160 9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.946 -3.943 11.640 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.073 -2.542 10.595 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.864 -3.360 12.867 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.564 -1.755 12.231 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.876 -3.337 11.691 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.424 -1.879 10.830 1.00 0.00 H new ATOM 105 N GLY A 9 -9.268 -6.415 10.086 1.00 0.00 N ATOM 106 CA GLY A 9 -9.189 -7.869 10.448 1.00 0.00 C ATOM 107 C GLY A 9 -10.066 -8.717 9.506 1.00 0.00 C ATOM 108 O GLY A 9 -10.192 -9.916 9.698 1.00 0.00 O ATOM 0 H GLY A 9 -8.448 -6.052 9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.154 -8.207 10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.514 -8.010 11.479 1.00 0.00 H new ATOM 112 N MET A 10 -10.663 -8.109 8.496 1.00 0.00 N ATOM 113 CA MET A 10 -11.530 -8.867 7.533 1.00 0.00 C ATOM 114 C MET A 10 -11.139 -8.462 6.086 1.00 0.00 C ATOM 115 O MET A 10 -11.562 -7.415 5.628 1.00 0.00 O ATOM 116 CB MET A 10 -12.995 -8.498 7.781 1.00 0.00 C ATOM 117 CG MET A 10 -13.524 -9.284 8.981 1.00 0.00 C ATOM 118 SD MET A 10 -13.111 -8.409 10.510 1.00 0.00 S ATOM 119 CE MET A 10 -13.645 -9.700 11.658 1.00 0.00 C ATOM 0 H MET A 10 -10.583 -7.111 8.300 1.00 0.00 H new ATOM 0 HA MET A 10 -11.394 -9.940 7.670 1.00 0.00 H new ATOM 0 HB2 MET A 10 -13.085 -7.428 7.966 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.592 -8.720 6.896 1.00 0.00 H new ATOM 0 HG2 MET A 10 -14.604 -9.407 8.901 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.090 -10.284 8.994 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.478 -9.368 12.683 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.706 -9.902 11.510 1.00 0.00 H new ATOM 0 HE3 MET A 10 -13.073 -10.610 11.474 1.00 0.00 H new ATOM 129 N ALA A 11 -10.321 -9.260 5.376 1.00 0.00 N ATOM 130 CA ALA A 11 -9.874 -8.914 3.970 1.00 0.00 C ATOM 131 C ALA A 11 -8.624 -8.034 4.059 1.00 0.00 C ATOM 132 O ALA A 11 -7.586 -8.373 3.517 1.00 0.00 O ATOM 133 CB ALA A 11 -10.972 -8.191 3.175 1.00 0.00 C ATOM 0 H ALA A 11 -9.948 -10.142 5.727 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.655 -9.840 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.606 -7.963 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.851 -8.832 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.239 -7.264 3.683 1.00 0.00 H new ATOM 139 N ILE A 12 -8.719 -6.927 4.765 1.00 0.00 N ATOM 140 CA ILE A 12 -7.554 -6.013 4.955 1.00 0.00 C ATOM 141 C ILE A 12 -7.001 -6.283 6.373 1.00 0.00 C ATOM 142 O ILE A 12 -7.613 -5.847 7.334 1.00 0.00 O ATOM 143 CB ILE A 12 -8.031 -4.559 4.854 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.707 -4.336 3.497 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.835 -3.616 4.988 1.00 0.00 C ATOM 146 CD1 ILE A 12 -9.876 -3.364 3.664 1.00 0.00 C ATOM 0 H ILE A 12 -9.575 -6.618 5.225 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.788 -6.181 4.198 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.743 -4.356 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.988 -3.937 2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.063 -5.285 3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.176 -2.583 4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.354 -3.773 5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.121 -3.819 4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.357 -3.205 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.598 -3.781 4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.506 -2.413 4.046 1.00 0.00 H new ATOM 158 N PRO A 13 -5.906 -7.039 6.499 1.00 0.00 N ATOM 159 CA PRO A 13 -5.366 -7.399 7.822 1.00 0.00 C ATOM 160 C PRO A 13 -4.536 -6.268 8.417 1.00 0.00 C ATOM 161 O PRO A 13 -4.285 -5.259 7.776 1.00 0.00 O ATOM 162 CB PRO A 13 -4.512 -8.637 7.549 1.00 0.00 C ATOM 163 CG PRO A 13 -4.152 -8.605 6.045 1.00 0.00 C ATOM 164 CD PRO A 13 -5.097 -7.586 5.375 1.00 0.00 C ATOM 0 HA PRO A 13 -6.152 -7.587 8.553 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.611 -8.629 8.163 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.059 -9.547 7.797 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.111 -8.315 5.904 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.271 -9.592 5.599 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.538 -6.800 4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.729 -8.063 4.625 1.00 0.00 H new ATOM 172 N HIS A 14 -4.127 -6.445 9.650 1.00 0.00 N ATOM 173 CA HIS A 14 -3.325 -5.426 10.361 1.00 0.00 C ATOM 174 C HIS A 14 -1.909 -5.391 9.750 1.00 0.00 C ATOM 175 O HIS A 14 -1.394 -6.420 9.342 1.00 0.00 O ATOM 176 CB HIS A 14 -3.264 -5.831 11.838 1.00 0.00 C ATOM 177 CG HIS A 14 -4.663 -6.010 12.384 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.567 -7.035 12.260 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -5.284 -5.055 13.180 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -6.728 -6.729 12.965 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -6.507 -5.527 13.500 1.00 0.00 N flip ATOM 0 H HIS A 14 -4.327 -7.281 10.200 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.768 -4.434 10.269 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.701 -6.758 11.946 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.736 -5.069 12.411 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -5.412 -7.893 11.730 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.864 -4.108 13.486 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.617 -7.335 13.059 1.00 0.00 H new ATOM 189 N ASN A 15 -1.287 -4.223 9.668 1.00 0.00 N ATOM 190 CA ASN A 15 0.082 -4.118 9.067 1.00 0.00 C ATOM 191 C ASN A 15 0.029 -4.594 7.589 1.00 0.00 C ATOM 192 O ASN A 15 0.694 -5.551 7.222 1.00 0.00 O ATOM 193 CB ASN A 15 1.059 -4.974 9.891 1.00 0.00 C ATOM 194 CG ASN A 15 2.458 -4.357 9.836 1.00 0.00 C ATOM 195 OD1 ASN A 15 3.021 -4.195 8.771 1.00 0.00 O ATOM 196 ND2 ASN A 15 3.047 -4.001 10.945 1.00 0.00 N ATOM 0 H ASN A 15 -1.678 -3.340 9.995 1.00 0.00 H new ATOM 0 HA ASN A 15 0.428 -3.085 9.083 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.719 -5.037 10.925 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.084 -5.992 9.501 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.979 -3.587 10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.575 -4.137 11.839 1.00 0.00 H new ATOM 203 N PRO A 16 -0.779 -3.916 6.772 1.00 0.00 N ATOM 204 CA PRO A 16 -0.937 -4.269 5.342 1.00 0.00 C ATOM 205 C PRO A 16 0.201 -3.698 4.489 1.00 0.00 C ATOM 206 O PRO A 16 0.757 -2.656 4.793 1.00 0.00 O ATOM 207 CB PRO A 16 -2.255 -3.597 4.948 1.00 0.00 C ATOM 208 CG PRO A 16 -2.468 -2.435 5.946 1.00 0.00 C ATOM 209 CD PRO A 16 -1.611 -2.752 7.184 1.00 0.00 C ATOM 0 HA PRO A 16 -0.925 -5.348 5.186 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.211 -3.226 3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.082 -4.306 4.995 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.171 -1.485 5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.520 -2.345 6.216 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.991 -1.901 7.466 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.233 -2.994 8.046 1.00 0.00 H new ATOM 217 N LEU A 17 0.512 -4.371 3.402 1.00 0.00 N ATOM 218 CA LEU A 17 1.578 -3.902 2.457 1.00 0.00 C ATOM 219 C LEU A 17 2.894 -3.595 3.200 1.00 0.00 C ATOM 220 O LEU A 17 3.579 -2.624 2.898 1.00 0.00 O ATOM 221 CB LEU A 17 1.069 -2.648 1.730 1.00 0.00 C ATOM 222 CG LEU A 17 0.174 -3.066 0.562 1.00 0.00 C ATOM 223 CD1 LEU A 17 -1.283 -3.111 1.024 1.00 0.00 C ATOM 224 CD2 LEU A 17 0.316 -2.051 -0.575 1.00 0.00 C ATOM 0 H LEU A 17 0.061 -5.243 3.126 1.00 0.00 H new ATOM 0 HA LEU A 17 1.790 -4.693 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.512 -2.015 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.910 -2.059 1.365 1.00 0.00 H new ATOM 0 HG LEU A 17 0.473 -4.053 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.920 -3.409 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.385 -3.832 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.584 -2.124 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.321 -2.347 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.016 -1.064 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.354 -2.018 -0.906 1.00 0.00 H new ATOM 236 N ASP A 18 3.264 -4.430 4.150 1.00 0.00 N ATOM 237 CA ASP A 18 4.549 -4.211 4.898 1.00 0.00 C ATOM 238 C ASP A 18 5.719 -4.377 3.922 1.00 0.00 C ATOM 239 O ASP A 18 6.685 -3.618 3.938 1.00 0.00 O ATOM 240 CB ASP A 18 4.670 -5.220 6.051 1.00 0.00 C ATOM 241 CG ASP A 18 4.688 -6.652 5.502 1.00 0.00 C ATOM 242 OD1 ASP A 18 3.626 -7.157 5.178 1.00 0.00 O ATOM 243 OD2 ASP A 18 5.767 -7.218 5.416 1.00 0.00 O ATOM 0 H ASP A 18 2.732 -5.251 4.438 1.00 0.00 H new ATOM 0 HA ASP A 18 4.563 -3.207 5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.581 -5.028 6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.835 -5.097 6.740 1.00 0.00 H new ATOM 248 N SER A 19 5.611 -5.357 3.061 1.00 0.00 N ATOM 249 CA SER A 19 6.673 -5.613 2.043 1.00 0.00 C ATOM 250 C SER A 19 6.780 -4.399 1.119 1.00 0.00 C ATOM 251 O SER A 19 7.821 -4.154 0.535 1.00 0.00 O ATOM 252 CB SER A 19 6.315 -6.852 1.223 1.00 0.00 C ATOM 253 OG SER A 19 7.509 -7.527 0.851 1.00 0.00 O ATOM 0 H SER A 19 4.820 -6.000 3.021 1.00 0.00 H new ATOM 0 HA SER A 19 7.627 -5.781 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.674 -7.515 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.753 -6.565 0.334 1.00 0.00 H new ATOM 0 HG SER A 19 8.245 -6.883 0.796 1.00 0.00 H new ATOM 259 N CYS A 20 5.702 -3.650 0.984 1.00 0.00 N ATOM 260 CA CYS A 20 5.700 -2.443 0.103 1.00 0.00 C ATOM 261 C CYS A 20 6.496 -1.324 0.768 1.00 0.00 C ATOM 262 O CYS A 20 7.288 -0.648 0.118 1.00 0.00 O ATOM 263 CB CYS A 20 4.258 -2.014 -0.148 1.00 0.00 C ATOM 264 SG CYS A 20 3.334 -3.394 -0.898 1.00 0.00 S ATOM 0 H CYS A 20 4.816 -3.832 1.456 1.00 0.00 H new ATOM 0 HA CYS A 20 6.169 -2.673 -0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.788 -1.715 0.789 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.235 -1.146 -0.807 1.00 0.00 H new ATOM 269 N ARG A 21 6.308 -1.134 2.061 1.00 0.00 N ATOM 270 CA ARG A 21 7.060 -0.067 2.786 1.00 0.00 C ATOM 271 C ARG A 21 8.570 -0.364 2.672 1.00 0.00 C ATOM 272 O ARG A 21 9.366 0.506 2.313 1.00 0.00 O ATOM 273 CB ARG A 21 6.577 0.015 4.265 1.00 0.00 C ATOM 274 CG ARG A 21 7.453 -0.808 5.235 1.00 0.00 C ATOM 275 CD ARG A 21 7.053 -0.501 6.674 1.00 0.00 C ATOM 276 NE ARG A 21 8.180 -0.860 7.582 1.00 0.00 N ATOM 277 CZ ARG A 21 8.045 -1.835 8.442 1.00 0.00 C ATOM 278 NH1 ARG A 21 7.427 -2.933 8.098 1.00 0.00 N ATOM 279 NH2 ARG A 21 8.536 -1.714 9.646 1.00 0.00 N ATOM 0 H ARG A 21 5.665 -1.676 2.638 1.00 0.00 H new ATOM 0 HA ARG A 21 6.872 0.910 2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.575 1.058 4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.548 -0.339 4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.334 -1.873 5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.505 -0.570 5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.808 0.556 6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.159 -1.063 6.944 1.00 0.00 H new ATOM 0 HE ARG A 21 9.058 -0.344 7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.048 -3.031 7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.323 -3.692 8.771 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.024 -0.859 9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.431 -2.474 10.318 1.00 0.00 H new ATOM 293 N TRP A 22 8.960 -1.594 2.978 1.00 0.00 N ATOM 294 CA TRP A 22 10.414 -1.954 2.898 1.00 0.00 C ATOM 295 C TRP A 22 10.887 -1.945 1.445 1.00 0.00 C ATOM 296 O TRP A 22 12.056 -1.694 1.178 1.00 0.00 O ATOM 297 CB TRP A 22 10.715 -3.311 3.547 1.00 0.00 C ATOM 298 CG TRP A 22 10.832 -3.093 5.006 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.096 -3.671 5.962 1.00 0.00 C ATOM 300 CD2 TRP A 22 11.747 -2.209 5.663 1.00 0.00 C ATOM 301 NE1 TRP A 22 10.512 -3.184 7.196 1.00 0.00 N ATOM 302 CE2 TRP A 22 11.541 -2.268 7.052 1.00 0.00 C ATOM 303 CE3 TRP A 22 12.727 -1.371 5.161 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.307 -1.497 7.929 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.508 -0.587 6.026 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.295 -0.651 7.413 1.00 0.00 C ATOM 0 H TRP A 22 8.339 -2.347 3.274 1.00 0.00 H new ATOM 0 HA TRP A 22 10.963 -1.198 3.460 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.920 -4.024 3.329 1.00 0.00 H new ATOM 0 HB3 TRP A 22 11.638 -3.730 3.147 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.310 -4.395 5.802 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.111 -3.465 8.091 1.00 0.00 H new ATOM 0 HE3 TRP A 22 12.893 -1.319 4.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.139 -1.553 8.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.271 0.064 5.625 1.00 0.00 H new ATOM 0 HH2 TRP A 22 13.893 -0.048 8.080 1.00 0.00 H new ATOM 317 N TYR A 23 9.989 -2.184 0.508 1.00 0.00 N ATOM 318 CA TYR A 23 10.382 -2.159 -0.934 1.00 0.00 C ATOM 319 C TYR A 23 10.749 -0.725 -1.283 1.00 0.00 C ATOM 320 O TYR A 23 11.625 -0.501 -2.096 1.00 0.00 O ATOM 321 CB TYR A 23 9.236 -2.663 -1.827 1.00 0.00 C ATOM 322 CG TYR A 23 9.690 -2.773 -3.272 1.00 0.00 C ATOM 323 CD1 TYR A 23 10.034 -1.636 -4.018 1.00 0.00 C ATOM 324 CD2 TYR A 23 9.778 -4.035 -3.862 1.00 0.00 C ATOM 325 CE1 TYR A 23 10.468 -1.767 -5.342 1.00 0.00 C ATOM 326 CE2 TYR A 23 10.209 -4.167 -5.186 1.00 0.00 C ATOM 327 CZ TYR A 23 10.559 -3.033 -5.926 1.00 0.00 C ATOM 328 OH TYR A 23 10.986 -3.164 -7.232 1.00 0.00 O ATOM 0 H TYR A 23 9.007 -2.394 0.685 1.00 0.00 H new ATOM 0 HA TYR A 23 11.231 -2.821 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.893 -3.635 -1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.388 -1.982 -1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.964 -0.656 -3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.512 -4.914 -3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.733 -0.889 -5.913 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.272 -5.146 -5.638 1.00 0.00 H new ATOM 0 HH TYR A 23 10.992 -4.112 -7.481 1.00 0.00 H new ATOM 338 N VAL A 24 10.107 0.248 -0.656 1.00 0.00 N ATOM 339 CA VAL A 24 10.461 1.671 -0.939 1.00 0.00 C ATOM 340 C VAL A 24 11.816 1.943 -0.320 1.00 0.00 C ATOM 341 O VAL A 24 12.650 2.577 -0.924 1.00 0.00 O ATOM 342 CB VAL A 24 9.453 2.641 -0.327 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.839 4.073 -0.728 1.00 0.00 C ATOM 344 CG2 VAL A 24 8.049 2.317 -0.839 1.00 0.00 C ATOM 0 H VAL A 24 9.364 0.111 0.029 1.00 0.00 H new ATOM 0 HA VAL A 24 10.464 1.820 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 24 9.460 2.548 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.126 4.776 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.839 4.297 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.826 4.163 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.332 3.011 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.027 2.411 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.785 1.297 -0.558 1.00 0.00 H new ATOM 354 N SER A 25 12.028 1.482 0.894 1.00 0.00 N ATOM 355 CA SER A 25 13.337 1.726 1.583 1.00 0.00 C ATOM 356 C SER A 25 14.505 1.251 0.701 1.00 0.00 C ATOM 357 O SER A 25 15.525 1.913 0.614 1.00 0.00 O ATOM 358 CB SER A 25 13.391 0.977 2.917 1.00 0.00 C ATOM 359 OG SER A 25 12.103 0.976 3.520 1.00 0.00 O ATOM 0 H SER A 25 11.349 0.947 1.436 1.00 0.00 H new ATOM 0 HA SER A 25 13.425 2.797 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.729 -0.047 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.114 1.450 3.582 1.00 0.00 H new ATOM 0 HG SER A 25 12.152 0.537 4.395 1.00 0.00 H new ATOM 365 N THR A 26 14.360 0.098 0.076 1.00 0.00 N ATOM 366 CA THR A 26 15.460 -0.479 -0.778 1.00 0.00 C ATOM 367 C THR A 26 15.554 0.223 -2.150 1.00 0.00 C ATOM 368 O THR A 26 16.620 0.659 -2.546 1.00 0.00 O ATOM 369 CB THR A 26 15.183 -1.992 -0.952 1.00 0.00 C ATOM 370 OG1 THR A 26 15.439 -2.650 0.279 1.00 0.00 O ATOM 371 CG2 THR A 26 16.070 -2.615 -2.045 1.00 0.00 C ATOM 0 H THR A 26 13.517 -0.474 0.122 1.00 0.00 H new ATOM 0 HA THR A 26 16.420 -0.321 -0.286 1.00 0.00 H new ATOM 0 HB THR A 26 14.142 -2.113 -1.252 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.949 -2.055 0.868 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.844 -3.678 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.876 -2.121 -2.997 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.119 -2.489 -1.778 1.00 0.00 H new ATOM 379 N ARG A 27 14.468 0.291 -2.878 1.00 0.00 N ATOM 380 CA ARG A 27 14.481 0.921 -4.240 1.00 0.00 C ATOM 381 C ARG A 27 14.907 2.389 -4.158 1.00 0.00 C ATOM 382 O ARG A 27 15.381 2.951 -5.132 1.00 0.00 O ATOM 383 CB ARG A 27 13.080 0.837 -4.854 1.00 0.00 C ATOM 384 CG ARG A 27 13.150 1.178 -6.346 1.00 0.00 C ATOM 385 CD ARG A 27 13.549 -0.066 -7.147 1.00 0.00 C ATOM 386 NE ARG A 27 14.929 0.107 -7.679 1.00 0.00 N ATOM 387 CZ ARG A 27 15.472 -0.832 -8.405 1.00 0.00 C ATOM 388 NH1 ARG A 27 16.079 -1.833 -7.829 1.00 0.00 N ATOM 389 NH2 ARG A 27 15.408 -0.770 -9.707 1.00 0.00 N ATOM 0 H ARG A 27 13.559 -0.067 -2.585 1.00 0.00 H new ATOM 0 HA ARG A 27 15.197 0.383 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.672 -0.165 -4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.407 1.527 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.184 1.548 -6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.874 1.976 -6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.501 -0.951 -6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.849 -0.223 -7.967 1.00 0.00 H new ATOM 0 HE ARG A 27 15.450 0.960 -7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.129 -1.882 -6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.503 -2.567 -8.396 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.934 0.012 -10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.832 -1.504 -10.274 1.00 0.00 H new ATOM 403 N THR A 28 14.697 3.018 -3.023 1.00 0.00 N ATOM 404 CA THR A 28 15.035 4.468 -2.875 1.00 0.00 C ATOM 405 C THR A 28 16.410 4.683 -2.202 1.00 0.00 C ATOM 406 O THR A 28 17.304 5.249 -2.809 1.00 0.00 O ATOM 407 CB THR A 28 13.909 5.152 -2.071 1.00 0.00 C ATOM 408 OG1 THR A 28 13.884 4.655 -0.745 1.00 0.00 O ATOM 409 CG2 THR A 28 12.559 4.875 -2.739 1.00 0.00 C ATOM 0 H THR A 28 14.303 2.583 -2.189 1.00 0.00 H new ATOM 0 HA THR A 28 15.111 4.915 -3.866 1.00 0.00 H new ATOM 0 HB THR A 28 14.096 6.226 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.118 4.054 -0.635 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.765 5.359 -2.170 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.568 5.269 -3.755 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.381 3.800 -2.768 1.00 0.00 H new ATOM 417 N CYS A 29 16.577 4.266 -0.958 1.00 0.00 N ATOM 418 CA CYS A 29 17.882 4.471 -0.236 1.00 0.00 C ATOM 419 C CYS A 29 18.731 3.197 -0.208 1.00 0.00 C ATOM 420 O CYS A 29 19.675 3.101 0.562 1.00 0.00 O ATOM 421 CB CYS A 29 17.596 4.932 1.192 1.00 0.00 C ATOM 422 SG CYS A 29 17.137 6.671 1.157 1.00 0.00 S ATOM 0 H CYS A 29 15.859 3.790 -0.412 1.00 0.00 H new ATOM 0 HA CYS A 29 18.450 5.229 -0.775 1.00 0.00 H new ATOM 0 HB2 CYS A 29 16.792 4.338 1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.475 4.786 1.819 1.00 0.00 H new ATOM 427 N GLY A 30 18.401 2.225 -1.021 1.00 0.00 N ATOM 428 CA GLY A 30 19.176 0.934 -1.041 1.00 0.00 C ATOM 429 C GLY A 30 19.216 0.312 0.370 1.00 0.00 C ATOM 430 O GLY A 30 20.077 -0.502 0.662 1.00 0.00 O ATOM 0 H GLY A 30 17.623 2.266 -1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.716 0.236 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.191 1.117 -1.394 1.00 0.00 H new ATOM 434 N VAL A 31 18.289 0.688 1.235 1.00 0.00 N ATOM 435 CA VAL A 31 18.247 0.130 2.629 1.00 0.00 C ATOM 436 C VAL A 31 17.063 -0.834 2.748 1.00 0.00 C ATOM 437 O VAL A 31 16.176 -0.835 1.909 1.00 0.00 O ATOM 438 CB VAL A 31 18.075 1.277 3.633 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.199 0.732 5.059 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.153 2.342 3.395 1.00 0.00 C ATOM 0 H VAL A 31 17.555 1.365 1.028 1.00 0.00 H new ATOM 0 HA VAL A 31 19.175 -0.400 2.841 1.00 0.00 H new ATOM 0 HB VAL A 31 17.091 1.727 3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.077 1.547 5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.427 -0.018 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.181 0.279 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.026 3.154 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.139 1.896 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.060 2.733 2.382 1.00 0.00 H new ATOM 450 N GLY A 32 17.050 -1.659 3.779 1.00 0.00 N ATOM 451 CA GLY A 32 15.933 -2.641 3.960 1.00 0.00 C ATOM 452 C GLY A 32 16.524 -4.028 4.319 1.00 0.00 C ATOM 453 O GLY A 32 17.738 -4.150 4.365 1.00 0.00 O ATOM 0 H GLY A 32 17.769 -1.690 4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.261 -2.304 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.342 -2.710 3.047 1.00 0.00 H new ATOM 457 N PRO A 33 15.688 -5.057 4.548 1.00 0.00 N ATOM 458 CA PRO A 33 16.218 -6.407 4.873 1.00 0.00 C ATOM 459 C PRO A 33 16.970 -6.974 3.656 1.00 0.00 C ATOM 460 O PRO A 33 17.007 -6.343 2.609 1.00 0.00 O ATOM 461 CB PRO A 33 14.965 -7.219 5.248 1.00 0.00 C ATOM 462 CG PRO A 33 13.769 -6.484 4.624 1.00 0.00 C ATOM 463 CD PRO A 33 14.190 -5.011 4.501 1.00 0.00 C ATOM 0 HA PRO A 33 16.943 -6.420 5.687 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.035 -8.239 4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.857 -7.288 6.330 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.521 -6.901 3.648 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.881 -6.585 5.248 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.833 -4.570 3.570 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.783 -4.410 5.315 1.00 0.00 H new ATOM 471 N ARG A 34 17.595 -8.132 3.790 1.00 0.00 N ATOM 472 CA ARG A 34 18.375 -8.710 2.653 1.00 0.00 C ATOM 473 C ARG A 34 17.481 -9.643 1.826 1.00 0.00 C ATOM 474 O ARG A 34 17.496 -10.857 1.977 1.00 0.00 O ATOM 475 CB ARG A 34 19.581 -9.482 3.211 1.00 0.00 C ATOM 476 CG ARG A 34 19.099 -10.554 4.201 1.00 0.00 C ATOM 477 CD ARG A 34 19.592 -11.934 3.758 1.00 0.00 C ATOM 478 NE ARG A 34 19.155 -12.960 4.746 1.00 0.00 N ATOM 479 CZ ARG A 34 19.994 -13.402 5.641 1.00 0.00 C ATOM 480 NH1 ARG A 34 20.902 -14.278 5.308 1.00 0.00 N ATOM 481 NH2 ARG A 34 19.927 -12.969 6.870 1.00 0.00 N ATOM 0 H ARG A 34 17.593 -8.695 4.641 1.00 0.00 H new ATOM 0 HA ARG A 34 18.729 -7.908 2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 34 20.134 -9.949 2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.265 -8.795 3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 34 19.469 -10.330 5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 34 18.010 -10.548 4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 34 19.197 -12.173 2.771 1.00 0.00 H new ATOM 0 HD3 ARG A 34 20.679 -11.934 3.675 1.00 0.00 H new ATOM 0 HE ARG A 34 18.200 -13.317 4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 34 20.956 -14.617 4.347 1.00 0.00 H new ATOM 0 HH12 ARG A 34 21.558 -14.624 6.008 1.00 0.00 H new ATOM 0 HH21 ARG A 34 19.218 -12.284 7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 34 20.584 -13.315 7.569 1.00 0.00 H new ATOM 495 N LEU A 35 16.710 -9.054 0.940 1.00 0.00 N ATOM 496 CA LEU A 35 15.797 -9.832 0.051 1.00 0.00 C ATOM 497 C LEU A 35 15.843 -9.208 -1.346 1.00 0.00 C ATOM 498 O LEU A 35 15.816 -7.994 -1.483 1.00 0.00 O ATOM 499 CB LEU A 35 14.366 -9.776 0.607 1.00 0.00 C ATOM 500 CG LEU A 35 13.776 -11.188 0.661 1.00 0.00 C ATOM 501 CD1 LEU A 35 14.244 -11.889 1.937 1.00 0.00 C ATOM 502 CD2 LEU A 35 12.247 -11.102 0.657 1.00 0.00 C ATOM 0 H LEU A 35 16.678 -8.045 0.796 1.00 0.00 H new ATOM 0 HA LEU A 35 16.110 -10.875 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.370 -9.335 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.746 -9.137 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 35 14.111 -11.755 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.824 -12.894 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.332 -11.950 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.910 -11.323 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.826 -12.107 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.912 -10.535 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.913 -10.603 -0.253 1.00 0.00 H new ATOM 514 N ALA A 36 15.929 -10.026 -2.375 1.00 0.00 N ATOM 515 CA ALA A 36 15.998 -9.502 -3.780 1.00 0.00 C ATOM 516 C ALA A 36 14.819 -8.553 -4.050 1.00 0.00 C ATOM 517 O ALA A 36 13.843 -8.551 -3.317 1.00 0.00 O ATOM 518 CB ALA A 36 15.948 -10.673 -4.762 1.00 0.00 C ATOM 0 H ALA A 36 15.954 -11.043 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 36 16.931 -8.953 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.998 -10.294 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.793 -11.337 -4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.017 -11.224 -4.625 1.00 0.00 H new ATOM 524 N THR A 37 14.916 -7.745 -5.090 1.00 0.00 N ATOM 525 CA THR A 37 13.818 -6.774 -5.422 1.00 0.00 C ATOM 526 C THR A 37 12.628 -7.501 -6.044 1.00 0.00 C ATOM 527 O THR A 37 11.524 -7.349 -5.581 1.00 0.00 O ATOM 528 CB THR A 37 14.321 -5.691 -6.403 1.00 0.00 C ATOM 529 OG1 THR A 37 15.458 -6.155 -7.130 1.00 0.00 O ATOM 530 CG2 THR A 37 14.687 -4.422 -5.623 1.00 0.00 C ATOM 0 H THR A 37 15.714 -7.719 -5.724 1.00 0.00 H new ATOM 0 HA THR A 37 13.505 -6.297 -4.493 1.00 0.00 H new ATOM 0 HB THR A 37 13.525 -5.468 -7.114 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.760 -5.456 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.042 -3.659 -6.316 1.00 0.00 H new ATOM 0 HG22 THR A 37 13.808 -4.053 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.472 -4.651 -4.903 1.00 0.00 H new ATOM 538 N GLN A 38 12.839 -8.265 -7.094 1.00 0.00 N ATOM 539 CA GLN A 38 11.699 -8.985 -7.767 1.00 0.00 C ATOM 540 C GLN A 38 10.869 -9.783 -6.749 1.00 0.00 C ATOM 541 O GLN A 38 9.657 -9.874 -6.873 1.00 0.00 O ATOM 542 CB GLN A 38 12.250 -9.937 -8.833 1.00 0.00 C ATOM 543 CG GLN A 38 11.093 -10.515 -9.665 1.00 0.00 C ATOM 544 CD GLN A 38 11.284 -10.160 -11.143 1.00 0.00 C ATOM 545 OE1 GLN A 38 11.555 -9.023 -11.477 1.00 0.00 O ATOM 546 NE2 GLN A 38 11.151 -11.093 -12.046 1.00 0.00 N ATOM 0 H GLN A 38 13.754 -8.423 -7.517 1.00 0.00 H new ATOM 0 HA GLN A 38 11.052 -8.240 -8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.947 -9.407 -9.482 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.808 -10.745 -8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.053 -11.598 -9.545 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.143 -10.119 -9.307 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.924 -12.047 -11.764 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.274 -10.869 -13.033 1.00 0.00 H new ATOM 555 N GLU A 39 11.515 -10.359 -5.757 1.00 0.00 N ATOM 556 CA GLU A 39 10.785 -11.164 -4.722 1.00 0.00 C ATOM 557 C GLU A 39 9.956 -10.237 -3.825 1.00 0.00 C ATOM 558 O GLU A 39 8.860 -10.585 -3.405 1.00 0.00 O ATOM 559 CB GLU A 39 11.799 -11.926 -3.868 1.00 0.00 C ATOM 560 CG GLU A 39 12.659 -12.816 -4.767 1.00 0.00 C ATOM 561 CD GLU A 39 13.762 -13.474 -3.936 1.00 0.00 C ATOM 562 OE1 GLU A 39 13.428 -14.203 -3.016 1.00 0.00 O ATOM 563 OE2 GLU A 39 14.922 -13.239 -4.233 1.00 0.00 O ATOM 0 H GLU A 39 12.524 -10.304 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 39 10.118 -11.868 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.430 -11.225 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.281 -12.533 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.040 -13.580 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.099 -12.223 -5.569 1.00 0.00 H new ATOM 570 N MET A 40 10.475 -9.061 -3.540 1.00 0.00 N ATOM 571 CA MET A 40 9.753 -8.082 -2.680 1.00 0.00 C ATOM 572 C MET A 40 8.497 -7.624 -3.413 1.00 0.00 C ATOM 573 O MET A 40 7.390 -7.717 -2.902 1.00 0.00 O ATOM 574 CB MET A 40 10.683 -6.901 -2.452 1.00 0.00 C ATOM 575 CG MET A 40 10.222 -6.102 -1.232 1.00 0.00 C ATOM 576 SD MET A 40 10.524 -7.066 0.270 1.00 0.00 S ATOM 577 CE MET A 40 11.398 -5.780 1.196 1.00 0.00 C ATOM 0 H MET A 40 11.383 -8.740 -3.876 1.00 0.00 H new ATOM 0 HA MET A 40 9.467 -8.523 -1.725 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.703 -7.254 -2.302 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.694 -6.260 -3.334 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.757 -5.154 -1.182 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.161 -5.866 -1.318 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.479 -6.076 2.242 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.396 -5.645 0.778 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.846 -4.843 1.126 1.00 0.00 H new ATOM 587 N LYS A 41 8.682 -7.144 -4.621 1.00 0.00 N ATOM 588 CA LYS A 41 7.531 -6.679 -5.467 1.00 0.00 C ATOM 589 C LYS A 41 6.504 -7.816 -5.581 1.00 0.00 C ATOM 590 O LYS A 41 5.306 -7.579 -5.588 1.00 0.00 O ATOM 591 CB LYS A 41 8.042 -6.302 -6.867 1.00 0.00 C ATOM 592 CG LYS A 41 6.875 -5.846 -7.760 1.00 0.00 C ATOM 593 CD LYS A 41 6.947 -6.562 -9.114 1.00 0.00 C ATOM 594 CE LYS A 41 6.633 -8.047 -8.924 1.00 0.00 C ATOM 595 NZ LYS A 41 7.297 -8.837 -9.998 1.00 0.00 N ATOM 0 H LYS A 41 9.596 -7.053 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 41 7.064 -5.807 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.781 -5.505 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.543 -7.157 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.925 -6.065 -7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.917 -4.767 -7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.238 -6.116 -9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.939 -6.442 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.979 -8.380 -7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.555 -8.208 -8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.084 -9.847 -9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.946 -8.525 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.326 -8.692 -9.950 1.00 0.00 H new ATOM 609 N ALA A 42 6.982 -9.042 -5.664 1.00 0.00 N ATOM 610 CA ALA A 42 6.068 -10.221 -5.769 1.00 0.00 C ATOM 611 C ALA A 42 5.225 -10.305 -4.498 1.00 0.00 C ATOM 612 O ALA A 42 4.041 -10.605 -4.545 1.00 0.00 O ATOM 613 CB ALA A 42 6.896 -11.497 -5.923 1.00 0.00 C ATOM 0 H ALA A 42 7.976 -9.272 -5.663 1.00 0.00 H new ATOM 0 HA ALA A 42 5.418 -10.111 -6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.230 -12.356 -5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.505 -11.429 -6.824 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.544 -11.617 -5.055 1.00 0.00 H new ATOM 619 N ARG A 43 5.839 -10.035 -3.364 1.00 0.00 N ATOM 620 CA ARG A 43 5.110 -10.080 -2.060 1.00 0.00 C ATOM 621 C ARG A 43 4.010 -9.012 -2.047 1.00 0.00 C ATOM 622 O ARG A 43 2.914 -9.256 -1.565 1.00 0.00 O ATOM 623 CB ARG A 43 6.099 -9.817 -0.913 1.00 0.00 C ATOM 624 CG ARG A 43 6.359 -11.115 -0.144 1.00 0.00 C ATOM 625 CD ARG A 43 7.050 -12.122 -1.063 1.00 0.00 C ATOM 626 NE ARG A 43 7.480 -13.308 -0.267 1.00 0.00 N ATOM 627 CZ ARG A 43 7.764 -14.431 -0.867 1.00 0.00 C ATOM 628 NH1 ARG A 43 6.808 -15.255 -1.198 1.00 0.00 N ATOM 629 NH2 ARG A 43 9.006 -14.731 -1.134 1.00 0.00 N ATOM 0 H ARG A 43 6.825 -9.783 -3.292 1.00 0.00 H new ATOM 0 HA ARG A 43 4.657 -11.063 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.035 -9.425 -1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.697 -9.059 -0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.982 -10.915 0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.419 -11.527 0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.371 -12.431 -1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.913 -11.660 -1.543 1.00 0.00 H new ATOM 0 HE ARG A 43 7.552 -13.241 0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.838 -15.021 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.031 -16.133 -1.667 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.753 -14.088 -0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.229 -15.609 -1.603 1.00 0.00 H new ATOM 643 N CYS A 44 4.303 -7.835 -2.569 1.00 0.00 N ATOM 644 CA CYS A 44 3.280 -6.734 -2.588 1.00 0.00 C ATOM 645 C CYS A 44 2.130 -7.072 -3.527 1.00 0.00 C ATOM 646 O CYS A 44 1.010 -6.678 -3.276 1.00 0.00 O ATOM 647 CB CYS A 44 3.884 -5.430 -3.060 1.00 0.00 C ATOM 648 SG CYS A 44 4.725 -4.651 -1.680 1.00 0.00 S ATOM 0 H CYS A 44 5.204 -7.593 -2.981 1.00 0.00 H new ATOM 0 HA CYS A 44 2.918 -6.631 -1.565 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.584 -5.611 -3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.106 -4.772 -3.448 1.00 0.00 H new ATOM 653 N CYS A 45 2.400 -7.773 -4.613 1.00 0.00 N ATOM 654 CA CYS A 45 1.310 -8.127 -5.579 1.00 0.00 C ATOM 655 C CYS A 45 0.454 -9.237 -4.974 1.00 0.00 C ATOM 656 O CYS A 45 -0.741 -9.308 -5.226 1.00 0.00 O ATOM 657 CB CYS A 45 1.912 -8.585 -6.914 1.00 0.00 C ATOM 658 SG CYS A 45 2.384 -7.157 -7.946 1.00 0.00 S ATOM 0 H CYS A 45 3.328 -8.112 -4.867 1.00 0.00 H new ATOM 0 HA CYS A 45 0.690 -7.251 -5.768 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.787 -9.208 -6.727 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.190 -9.202 -7.449 1.00 0.00 H new ATOM 663 N ARG A 46 1.054 -10.083 -4.157 1.00 0.00 N ATOM 664 CA ARG A 46 0.283 -11.179 -3.502 1.00 0.00 C ATOM 665 C ARG A 46 -0.623 -10.547 -2.451 1.00 0.00 C ATOM 666 O ARG A 46 -1.736 -10.990 -2.238 1.00 0.00 O ATOM 667 CB ARG A 46 1.244 -12.166 -2.835 1.00 0.00 C ATOM 668 CG ARG A 46 0.545 -13.517 -2.655 1.00 0.00 C ATOM 669 CD ARG A 46 -0.263 -13.516 -1.351 1.00 0.00 C ATOM 670 NE ARG A 46 0.127 -14.693 -0.526 1.00 0.00 N ATOM 671 CZ ARG A 46 -0.383 -14.857 0.663 1.00 0.00 C ATOM 672 NH1 ARG A 46 -1.668 -14.722 0.848 1.00 0.00 N ATOM 673 NH2 ARG A 46 0.393 -15.156 1.669 1.00 0.00 N ATOM 0 H ARG A 46 2.046 -10.054 -3.921 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.309 -11.721 -4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.140 -12.286 -3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.566 -11.779 -1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.114 -13.711 -3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.283 -14.319 -2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.081 -12.594 -0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.330 -13.550 -1.571 1.00 0.00 H new ATOM 0 HE ARG A 46 0.794 -15.372 -0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.275 -14.488 0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.066 -14.851 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.397 -15.261 1.525 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.005 -15.284 2.599 1.00 0.00 H new ATOM 687 N GLN A 47 -0.142 -9.497 -1.807 1.00 0.00 N ATOM 688 CA GLN A 47 -0.962 -8.790 -0.769 1.00 0.00 C ATOM 689 C GLN A 47 -1.983 -7.863 -1.449 1.00 0.00 C ATOM 690 O GLN A 47 -3.028 -7.563 -0.892 1.00 0.00 O ATOM 691 CB GLN A 47 -0.039 -7.958 0.127 1.00 0.00 C ATOM 692 CG GLN A 47 0.973 -8.875 0.830 1.00 0.00 C ATOM 693 CD GLN A 47 0.935 -8.629 2.341 1.00 0.00 C ATOM 694 OE1 GLN A 47 -0.112 -8.694 2.952 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.042 -8.347 2.971 1.00 0.00 N ATOM 0 H GLN A 47 0.786 -9.103 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.493 -9.528 -0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.486 -7.212 -0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.628 -7.417 0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.741 -9.918 0.616 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.976 -8.686 0.447 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.921 -8.293 2.457 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.028 -8.181 3.977 1.00 0.00 H new ATOM 704 N LEU A 48 -1.667 -7.405 -2.643 1.00 0.00 N ATOM 705 CA LEU A 48 -2.563 -6.479 -3.395 1.00 0.00 C ATOM 706 C LEU A 48 -3.784 -7.262 -3.874 1.00 0.00 C ATOM 707 O LEU A 48 -4.899 -6.766 -3.824 1.00 0.00 O ATOM 708 CB LEU A 48 -1.768 -5.901 -4.585 1.00 0.00 C ATOM 709 CG LEU A 48 -2.382 -4.589 -5.104 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.744 -4.865 -5.732 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.537 -3.577 -3.961 1.00 0.00 C ATOM 0 H LEU A 48 -0.805 -7.644 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.906 -5.657 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.737 -5.723 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.740 -6.633 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.714 -4.169 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.172 -3.931 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.627 -5.560 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.407 -5.301 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.973 -2.656 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.189 -3.993 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.559 -3.363 -3.530 1.00 0.00 H new ATOM 723 N GLU A 49 -3.581 -8.491 -4.307 1.00 0.00 N ATOM 724 CA GLU A 49 -4.727 -9.337 -4.761 1.00 0.00 C ATOM 725 C GLU A 49 -5.449 -9.885 -3.524 1.00 0.00 C ATOM 726 O GLU A 49 -6.667 -9.921 -3.482 1.00 0.00 O ATOM 727 CB GLU A 49 -4.211 -10.494 -5.632 1.00 0.00 C ATOM 728 CG GLU A 49 -4.674 -10.306 -7.086 1.00 0.00 C ATOM 729 CD GLU A 49 -5.313 -11.599 -7.600 1.00 0.00 C ATOM 730 OE1 GLU A 49 -6.287 -12.032 -7.007 1.00 0.00 O ATOM 731 OE2 GLU A 49 -4.818 -12.132 -8.580 1.00 0.00 O ATOM 0 H GLU A 49 -2.667 -8.940 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.419 -8.741 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.122 -10.533 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.579 -11.444 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.391 -9.487 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.826 -10.034 -7.715 1.00 0.00 H new ATOM 738 N ALA A 50 -4.698 -10.290 -2.506 1.00 0.00 N ATOM 739 CA ALA A 50 -5.319 -10.818 -1.241 1.00 0.00 C ATOM 740 C ALA A 50 -6.304 -9.773 -0.725 1.00 0.00 C ATOM 741 O ALA A 50 -7.380 -10.096 -0.260 1.00 0.00 O ATOM 742 CB ALA A 50 -4.230 -11.067 -0.194 1.00 0.00 C ATOM 0 H ALA A 50 -3.678 -10.274 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.834 -11.758 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.685 -11.449 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.517 -11.797 -0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.712 -10.132 0.022 1.00 0.00 H new ATOM 748 N ILE A 51 -5.937 -8.519 -0.870 1.00 0.00 N ATOM 749 CA ILE A 51 -6.822 -7.384 -0.473 1.00 0.00 C ATOM 750 C ILE A 51 -7.854 -7.221 -1.605 1.00 0.00 C ATOM 751 O ILE A 51 -7.482 -6.771 -2.676 1.00 0.00 O ATOM 752 CB ILE A 51 -5.987 -6.106 -0.319 1.00 0.00 C ATOM 753 CG1 ILE A 51 -4.983 -6.293 0.823 1.00 0.00 C ATOM 754 CG2 ILE A 51 -6.904 -4.923 0.012 1.00 0.00 C ATOM 755 CD1 ILE A 51 -3.897 -5.213 0.745 1.00 0.00 C ATOM 0 H ILE A 51 -5.038 -8.233 -1.257 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.316 -7.573 0.480 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.459 -5.907 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.496 -6.236 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.529 -7.282 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.306 -4.018 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.626 -4.786 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.433 -5.122 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.187 -5.352 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.375 -5.290 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.357 -4.228 0.828 1.00 0.00 H new ATOM 767 N PRO A 52 -9.099 -7.646 -1.389 1.00 0.00 N ATOM 768 CA PRO A 52 -10.127 -7.601 -2.451 1.00 0.00 C ATOM 769 C PRO A 52 -10.360 -6.172 -2.925 1.00 0.00 C ATOM 770 O PRO A 52 -10.245 -5.226 -2.166 1.00 0.00 O ATOM 771 CB PRO A 52 -11.368 -8.223 -1.801 1.00 0.00 C ATOM 772 CG PRO A 52 -11.150 -8.116 -0.282 1.00 0.00 C ATOM 773 CD PRO A 52 -9.624 -8.124 -0.083 1.00 0.00 C ATOM 0 HA PRO A 52 -9.838 -8.144 -3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.273 -7.695 -2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.488 -9.263 -2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.592 -7.202 0.114 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.618 -8.950 0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.323 -7.469 0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.256 -9.122 0.156 1.00 0.00 H new ATOM 781 N ALA A 53 -10.664 -6.031 -4.199 1.00 0.00 N ATOM 782 CA ALA A 53 -10.896 -4.686 -4.827 1.00 0.00 C ATOM 783 C ALA A 53 -11.734 -3.777 -3.924 1.00 0.00 C ATOM 784 O ALA A 53 -11.600 -2.566 -3.980 1.00 0.00 O ATOM 785 CB ALA A 53 -11.617 -4.884 -6.158 1.00 0.00 C ATOM 0 H ALA A 53 -10.763 -6.814 -4.845 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.930 -4.205 -4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.792 -3.915 -6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.003 -5.498 -6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.572 -5.380 -5.984 1.00 0.00 H new ATOM 791 N TYR A 54 -12.578 -4.351 -3.094 1.00 0.00 N ATOM 792 CA TYR A 54 -13.411 -3.526 -2.171 1.00 0.00 C ATOM 793 C TYR A 54 -12.487 -2.864 -1.148 1.00 0.00 C ATOM 794 O TYR A 54 -11.794 -3.543 -0.407 1.00 0.00 O ATOM 795 CB TYR A 54 -14.425 -4.420 -1.451 1.00 0.00 C ATOM 796 CG TYR A 54 -15.718 -3.663 -1.258 1.00 0.00 C ATOM 797 CD1 TYR A 54 -15.763 -2.559 -0.398 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.872 -4.067 -1.940 1.00 0.00 C ATOM 799 CE1 TYR A 54 -16.962 -1.858 -0.220 1.00 0.00 C ATOM 800 CE2 TYR A 54 -18.071 -3.366 -1.762 1.00 0.00 C ATOM 801 CZ TYR A 54 -18.116 -2.262 -0.903 1.00 0.00 C ATOM 802 OH TYR A 54 -19.298 -1.572 -0.728 1.00 0.00 O ATOM 0 H TYR A 54 -12.722 -5.358 -3.020 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.952 -2.765 -2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -14.604 -5.325 -2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.028 -4.734 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -14.873 -2.248 0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -16.837 -4.919 -2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -16.997 -1.006 0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -18.961 -3.677 -2.288 1.00 0.00 H new ATOM 0 HH TYR A 54 -20.000 -1.982 -1.275 1.00 0.00 H new ATOM 812 N CYS A 55 -12.476 -1.547 -1.114 1.00 0.00 N ATOM 813 CA CYS A 55 -11.608 -0.798 -0.149 1.00 0.00 C ATOM 814 C CYS A 55 -10.115 -1.099 -0.412 1.00 0.00 C ATOM 815 O CYS A 55 -9.288 -0.849 0.445 1.00 0.00 O ATOM 816 CB CYS A 55 -11.977 -1.202 1.284 1.00 0.00 C ATOM 817 SG CYS A 55 -13.457 -0.289 1.791 1.00 0.00 S ATOM 0 H CYS A 55 -13.040 -0.955 -1.723 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.771 0.271 -0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -12.160 -2.275 1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.151 -0.985 1.961 1.00 0.00 H new ATOM 822 N ARG A 56 -9.758 -1.635 -1.586 1.00 0.00 N ATOM 823 CA ARG A 56 -8.307 -1.945 -1.902 1.00 0.00 C ATOM 824 C ARG A 56 -7.404 -0.759 -1.482 1.00 0.00 C ATOM 825 O ARG A 56 -6.830 -0.786 -0.411 1.00 0.00 O ATOM 826 CB ARG A 56 -8.154 -2.217 -3.412 1.00 0.00 C ATOM 827 CG ARG A 56 -7.797 -3.692 -3.648 1.00 0.00 C ATOM 828 CD ARG A 56 -7.381 -3.898 -5.111 1.00 0.00 C ATOM 829 NE ARG A 56 -7.553 -5.334 -5.490 1.00 0.00 N ATOM 830 CZ ARG A 56 -7.867 -5.657 -6.716 1.00 0.00 C ATOM 831 NH1 ARG A 56 -8.829 -5.030 -7.331 1.00 0.00 N ATOM 832 NH2 ARG A 56 -7.218 -6.610 -7.326 1.00 0.00 N ATOM 0 H ARG A 56 -10.414 -1.868 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.001 -2.830 -1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.081 -1.972 -3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.377 -1.575 -3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.986 -3.990 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.652 -4.325 -3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.984 -3.266 -5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.342 -3.598 -5.249 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.425 -6.064 -4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.338 -4.285 -6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.073 -5.284 -8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.465 -7.103 -6.846 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.463 -6.862 -8.283 1.00 0.00 H new ATOM 846 N CYS A 57 -7.275 0.261 -2.322 1.00 0.00 N ATOM 847 CA CYS A 57 -6.411 1.471 -2.005 1.00 0.00 C ATOM 848 C CYS A 57 -6.372 1.839 -0.499 1.00 0.00 C ATOM 849 O CYS A 57 -5.307 2.151 0.003 1.00 0.00 O ATOM 850 CB CYS A 57 -6.931 2.667 -2.810 1.00 0.00 C ATOM 851 SG CYS A 57 -6.402 2.495 -4.534 1.00 0.00 S ATOM 0 H CYS A 57 -7.739 0.307 -3.229 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.388 1.214 -2.280 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.018 2.714 -2.753 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.549 3.598 -2.390 1.00 0.00 H new ATOM 856 N GLU A 58 -7.504 1.832 0.216 1.00 0.00 N ATOM 857 CA GLU A 58 -7.520 2.200 1.685 1.00 0.00 C ATOM 858 C GLU A 58 -6.275 1.681 2.430 1.00 0.00 C ATOM 859 O GLU A 58 -5.659 2.423 3.161 1.00 0.00 O ATOM 860 CB GLU A 58 -8.774 1.623 2.345 1.00 0.00 C ATOM 861 CG GLU A 58 -10.001 2.424 1.898 1.00 0.00 C ATOM 862 CD GLU A 58 -11.030 2.454 3.029 1.00 0.00 C ATOM 863 OE1 GLU A 58 -10.651 2.780 4.142 1.00 0.00 O ATOM 864 OE2 GLU A 58 -12.182 2.153 2.763 1.00 0.00 O ATOM 0 H GLU A 58 -8.417 1.585 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.519 3.288 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.892 0.574 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.677 1.661 3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.708 3.440 1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.438 1.974 1.007 1.00 0.00 H new ATOM 871 N ALA A 59 -5.911 0.419 2.257 1.00 0.00 N ATOM 872 CA ALA A 59 -4.701 -0.161 2.957 1.00 0.00 C ATOM 873 C ALA A 59 -3.503 0.805 2.911 1.00 0.00 C ATOM 874 O ALA A 59 -2.926 1.141 3.942 1.00 0.00 O ATOM 875 CB ALA A 59 -4.314 -1.481 2.287 1.00 0.00 C ATOM 0 H ALA A 59 -6.406 -0.239 1.655 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.961 -0.327 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.443 -1.902 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.146 -2.182 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.077 -1.301 1.238 1.00 0.00 H new ATOM 881 N VAL A 60 -3.140 1.259 1.727 1.00 0.00 N ATOM 882 CA VAL A 60 -1.990 2.220 1.569 1.00 0.00 C ATOM 883 C VAL A 60 -2.151 3.367 2.573 1.00 0.00 C ATOM 884 O VAL A 60 -1.212 3.744 3.273 1.00 0.00 O ATOM 885 CB VAL A 60 -1.986 2.784 0.146 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.745 3.653 -0.056 1.00 0.00 C ATOM 887 CG2 VAL A 60 -1.968 1.631 -0.861 1.00 0.00 C ATOM 0 H VAL A 60 -3.598 1.001 0.853 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.050 1.700 1.753 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.881 3.387 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.743 4.054 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.756 4.475 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.150 3.050 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.965 2.033 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.073 1.028 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.853 1.010 -0.719 1.00 0.00 H new ATOM 897 N ARG A 61 -3.355 3.901 2.660 1.00 0.00 N ATOM 898 CA ARG A 61 -3.631 5.008 3.630 1.00 0.00 C ATOM 899 C ARG A 61 -3.299 4.523 5.047 1.00 0.00 C ATOM 900 O ARG A 61 -2.523 5.131 5.732 1.00 0.00 O ATOM 901 CB ARG A 61 -5.106 5.423 3.560 1.00 0.00 C ATOM 902 CG ARG A 61 -5.396 6.077 2.201 1.00 0.00 C ATOM 903 CD ARG A 61 -5.601 7.586 2.378 1.00 0.00 C ATOM 904 NE ARG A 61 -4.475 8.157 3.170 1.00 0.00 N ATOM 905 CZ ARG A 61 -3.658 9.014 2.622 1.00 0.00 C ATOM 906 NH1 ARG A 61 -4.043 10.244 2.419 1.00 0.00 N ATOM 907 NH2 ARG A 61 -2.456 8.641 2.276 1.00 0.00 N ATOM 0 H ARG A 61 -4.156 3.613 2.098 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.015 5.871 3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.746 4.552 3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.336 6.120 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.569 5.892 1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.285 5.631 1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.656 8.072 1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.548 7.777 2.884 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.343 7.877 4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.983 10.535 2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.404 10.914 1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.155 7.679 2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.818 9.311 1.848 1.00 0.00 H new ATOM 921 N ILE A 62 -3.871 3.418 5.476 1.00 0.00 N ATOM 922 CA ILE A 62 -3.590 2.860 6.846 1.00 0.00 C ATOM 923 C ILE A 62 -2.080 2.795 7.084 1.00 0.00 C ATOM 924 O ILE A 62 -1.637 2.848 8.220 1.00 0.00 O ATOM 925 CB ILE A 62 -4.218 1.448 6.941 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.734 1.590 7.136 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.621 0.640 8.111 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.403 0.210 7.109 1.00 0.00 C ATOM 0 H ILE A 62 -4.532 2.869 4.926 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.025 3.504 7.610 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.000 0.910 6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.941 2.084 8.085 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.152 2.220 6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.085 -0.345 8.147 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.546 0.530 7.966 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.809 1.164 9.048 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.478 0.324 7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.210 -0.269 6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.997 -0.407 7.910 1.00 0.00 H new ATOM 940 N LEU A 63 -1.302 2.666 6.039 1.00 0.00 N ATOM 941 CA LEU A 63 0.175 2.595 6.228 1.00 0.00 C ATOM 942 C LEU A 63 0.736 3.990 6.479 1.00 0.00 C ATOM 943 O LEU A 63 1.597 4.163 7.328 1.00 0.00 O ATOM 944 CB LEU A 63 0.844 1.970 5.005 1.00 0.00 C ATOM 945 CG LEU A 63 2.319 1.702 5.313 1.00 0.00 C ATOM 946 CD1 LEU A 63 2.427 0.584 6.354 1.00 0.00 C ATOM 947 CD2 LEU A 63 3.039 1.277 4.032 1.00 0.00 C ATOM 0 H LEU A 63 -1.623 2.607 5.073 1.00 0.00 H new ATOM 0 HA LEU A 63 0.385 1.967 7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.342 1.040 4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.756 2.637 4.148 1.00 0.00 H new ATOM 0 HG LEU A 63 2.779 2.609 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.477 0.392 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.914 0.886 7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.967 -0.323 5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.090 1.086 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.579 0.370 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.962 2.072 3.290 1.00 0.00 H new ATOM 959 N MET A 64 0.265 4.977 5.751 1.00 0.00 N ATOM 960 CA MET A 64 0.783 6.368 5.950 1.00 0.00 C ATOM 961 C MET A 64 0.167 6.999 7.213 1.00 0.00 C ATOM 962 O MET A 64 0.883 7.471 8.081 1.00 0.00 O ATOM 963 CB MET A 64 0.439 7.228 4.726 1.00 0.00 C ATOM 964 CG MET A 64 1.190 8.559 4.810 1.00 0.00 C ATOM 965 SD MET A 64 0.107 9.820 5.527 1.00 0.00 S ATOM 966 CE MET A 64 1.236 10.375 6.828 1.00 0.00 C ATOM 0 H MET A 64 -0.452 4.879 5.032 1.00 0.00 H new ATOM 0 HA MET A 64 1.865 6.322 6.073 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.711 6.702 3.811 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.635 7.407 4.684 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.086 8.445 5.420 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.517 8.867 3.817 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.944 9.928 7.778 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.253 10.071 6.581 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.192 11.461 6.909 1.00 0.00 H new ATOM 976 N ASP A 65 -1.147 7.018 7.307 1.00 0.00 N ATOM 977 CA ASP A 65 -1.840 7.622 8.491 1.00 0.00 C ATOM 978 C ASP A 65 -1.862 6.649 9.678 1.00 0.00 C ATOM 979 O ASP A 65 -2.017 7.078 10.810 1.00 0.00 O ATOM 980 CB ASP A 65 -3.277 8.101 8.141 1.00 0.00 C ATOM 981 CG ASP A 65 -3.193 9.465 7.452 1.00 0.00 C ATOM 982 OD1 ASP A 65 -2.785 10.413 8.102 1.00 0.00 O ATOM 983 OD2 ASP A 65 -3.541 9.540 6.284 1.00 0.00 O ATOM 0 H ASP A 65 -1.775 6.634 6.601 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.265 8.501 8.783 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.766 7.379 7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.881 8.173 9.046 1.00 0.00 H new ATOM 988 N GLY A 66 -1.739 5.350 9.437 1.00 0.00 N ATOM 989 CA GLY A 66 -1.789 4.366 10.565 1.00 0.00 C ATOM 990 C GLY A 66 -3.254 3.992 10.842 1.00 0.00 C ATOM 991 O GLY A 66 -4.156 4.781 10.613 1.00 0.00 O ATOM 0 H GLY A 66 -1.608 4.941 8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.215 3.475 10.312 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.335 4.795 11.458 1.00 0.00 H new ATOM 995 N VAL A 67 -3.481 2.789 11.321 1.00 0.00 N ATOM 996 CA VAL A 67 -4.874 2.305 11.619 1.00 0.00 C ATOM 997 C VAL A 67 -5.010 2.000 13.115 1.00 0.00 C ATOM 998 O VAL A 67 -4.028 1.804 13.808 1.00 0.00 O ATOM 999 CB VAL A 67 -5.172 1.045 10.797 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.071 0.009 11.031 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.530 0.443 11.195 1.00 0.00 C ATOM 0 H VAL A 67 -2.748 2.109 11.522 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.589 3.082 11.350 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.206 1.320 9.743 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.284 -0.886 10.447 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.111 0.423 10.724 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.033 -0.249 12.089 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.721 -0.450 10.599 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.515 0.178 12.252 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.319 1.174 11.016 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.233 1.970 13.599 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.486 1.690 15.043 1.00 0.00 C ATOM 1013 C VAL A 68 -7.247 0.367 15.171 1.00 0.00 C ATOM 1014 O VAL A 68 -7.870 -0.108 14.237 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.288 2.844 15.674 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -7.727 2.481 17.102 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.402 4.090 15.736 1.00 0.00 C ATOM 0 H VAL A 68 -7.073 2.130 13.043 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.537 1.608 15.574 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.173 3.030 15.065 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.292 3.309 17.530 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.354 1.590 17.074 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.847 2.287 17.715 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.962 4.913 16.181 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.521 3.880 16.342 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.092 4.366 14.728 1.00 0.00 H new ATOM 1027 N THR A 69 -7.142 -0.232 16.330 1.00 0.00 N ATOM 1028 CA THR A 69 -7.778 -1.548 16.609 1.00 0.00 C ATOM 1029 C THR A 69 -8.807 -1.394 17.722 1.00 0.00 C ATOM 1030 O THR A 69 -8.798 -0.426 18.460 1.00 0.00 O ATOM 1031 CB THR A 69 -6.709 -2.565 17.018 1.00 0.00 C ATOM 1032 OG1 THR A 69 -5.886 -2.007 18.028 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.852 -2.922 15.805 1.00 0.00 C ATOM 0 H THR A 69 -6.623 0.154 17.119 1.00 0.00 H new ATOM 0 HA THR A 69 -8.278 -1.905 15.709 1.00 0.00 H new ATOM 0 HB THR A 69 -7.193 -3.464 17.398 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.294 -1.333 17.633 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.091 -3.646 16.097 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.483 -3.353 15.028 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.369 -2.022 15.423 1.00 0.00 H new ATOM 1041 N SER A 70 -9.715 -2.330 17.797 1.00 0.00 N ATOM 1042 CA SER A 70 -10.808 -2.298 18.815 1.00 0.00 C ATOM 1043 C SER A 70 -10.222 -2.355 20.223 1.00 0.00 C ATOM 1044 O SER A 70 -10.757 -1.771 21.151 1.00 0.00 O ATOM 1045 CB SER A 70 -11.723 -3.502 18.590 1.00 0.00 C ATOM 1046 OG SER A 70 -12.861 -3.394 19.435 1.00 0.00 O ATOM 0 H SER A 70 -9.746 -3.139 17.177 1.00 0.00 H new ATOM 0 HA SER A 70 -11.374 -1.372 18.712 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.034 -3.546 17.546 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.185 -4.426 18.802 1.00 0.00 H new ATOM 0 HG SER A 70 -13.450 -4.164 19.291 1.00 0.00 H new ATOM 1052 N SER A 71 -9.131 -3.055 20.369 1.00 0.00 N ATOM 1053 CA SER A 71 -8.461 -3.186 21.704 1.00 0.00 C ATOM 1054 C SER A 71 -7.913 -1.827 22.158 1.00 0.00 C ATOM 1055 O SER A 71 -7.613 -1.640 23.327 1.00 0.00 O ATOM 1056 CB SER A 71 -7.308 -4.184 21.602 1.00 0.00 C ATOM 1057 OG SER A 71 -6.591 -3.953 20.395 1.00 0.00 O ATOM 0 H SER A 71 -8.664 -3.552 19.610 1.00 0.00 H new ATOM 0 HA SER A 71 -9.192 -3.538 22.431 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.643 -4.078 22.459 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.692 -5.204 21.621 1.00 0.00 H new ATOM 0 HG SER A 71 -5.850 -4.591 20.328 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.768 -0.888 21.241 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.224 0.461 21.599 1.00 0.00 C ATOM 1065 C GLY A 72 -5.740 0.540 21.195 1.00 0.00 C ATOM 1066 O GLY A 72 -5.031 1.431 21.635 1.00 0.00 O ATOM 0 H GLY A 72 -8.006 -1.005 20.256 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.792 1.240 21.091 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.330 0.635 22.670 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.263 -0.388 20.367 1.00 0.00 N ATOM 1071 CA GLN A 73 -3.821 -0.372 19.942 1.00 0.00 C ATOM 1072 C GLN A 73 -3.718 0.188 18.523 1.00 0.00 C ATOM 1073 O GLN A 73 -4.672 0.148 17.781 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.249 -1.798 19.964 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.662 -2.520 21.254 1.00 0.00 C ATOM 1076 CD GLN A 73 -3.103 -1.774 22.468 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -1.960 -1.358 22.468 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -3.866 -1.586 23.508 1.00 0.00 N ATOM 0 H GLN A 73 -5.817 -1.149 19.974 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.254 0.253 20.631 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.608 -2.354 19.098 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.162 -1.762 19.892 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.749 -2.575 21.319 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.291 -3.545 21.243 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.824 -1.935 23.507 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.505 -1.090 24.323 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.568 0.708 18.144 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.400 1.275 16.773 1.00 0.00 C ATOM 1089 C HIS A 74 -1.363 0.440 16.026 1.00 0.00 C ATOM 1090 O HIS A 74 -0.521 -0.197 16.636 1.00 0.00 O ATOM 1091 CB HIS A 74 -1.881 2.702 16.875 1.00 0.00 C ATOM 1092 CG HIS A 74 -2.998 3.654 17.212 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -3.089 4.909 16.632 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.065 3.563 18.072 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -4.173 5.517 17.146 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -4.805 4.740 18.029 1.00 0.00 N ATOM 0 H HIS A 74 -1.738 0.761 18.734 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.357 1.263 16.250 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.106 2.758 17.639 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.420 2.994 15.932 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.295 2.707 18.689 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.493 6.513 16.877 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.648 4.962 18.558 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.431 0.443 14.713 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.462 -0.351 13.894 1.00 0.00 C ATOM 1106 C GLU A 75 -0.106 0.404 12.617 1.00 0.00 C ATOM 1107 O GLU A 75 -0.538 1.525 12.405 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.072 -1.704 13.513 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.603 -2.427 14.755 1.00 0.00 C ATOM 1110 CD GLU A 75 -0.429 -2.907 15.618 1.00 0.00 C ATOM 1111 OE1 GLU A 75 0.493 -3.484 15.063 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -0.477 -2.693 16.818 1.00 0.00 O ATOM 0 H GLU A 75 -2.121 0.965 14.173 1.00 0.00 H new ATOM 0 HA GLU A 75 0.437 -0.509 14.490 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.882 -1.555 12.799 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.321 -2.321 13.020 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.241 -1.757 15.332 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.219 -3.276 14.458 1.00 0.00 H new ATOM 1119 N GLY A 76 0.691 -0.218 11.774 1.00 0.00 N ATOM 1120 CA GLY A 76 1.115 0.419 10.491 1.00 0.00 C ATOM 1121 C GLY A 76 1.866 1.713 10.796 1.00 0.00 C ATOM 1122 O GLY A 76 2.675 1.766 11.709 1.00 0.00 O ATOM 0 H GLY A 76 1.068 -1.153 11.928 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.753 -0.261 9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.244 0.628 9.870 1.00 0.00 H new ATOM 1126 N ARG A 77 1.590 2.753 10.040 1.00 0.00 N ATOM 1127 CA ARG A 77 2.260 4.078 10.258 1.00 0.00 C ATOM 1128 C ARG A 77 3.793 3.901 10.310 1.00 0.00 C ATOM 1129 O ARG A 77 4.495 4.687 10.928 1.00 0.00 O ATOM 1130 CB ARG A 77 1.767 4.675 11.580 1.00 0.00 C ATOM 1131 CG ARG A 77 1.911 6.196 11.536 1.00 0.00 C ATOM 1132 CD ARG A 77 1.144 6.816 12.704 1.00 0.00 C ATOM 1133 NE ARG A 77 1.936 6.664 13.955 1.00 0.00 N ATOM 1134 CZ ARG A 77 1.613 7.346 15.019 1.00 0.00 C ATOM 1135 NH1 ARG A 77 0.415 7.237 15.523 1.00 0.00 N ATOM 1136 NH2 ARG A 77 2.487 8.138 15.577 1.00 0.00 N ATOM 0 H ARG A 77 0.920 2.739 9.271 1.00 0.00 H new ATOM 0 HA ARG A 77 2.013 4.746 9.433 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.725 4.402 11.749 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.342 4.268 12.412 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.964 6.474 11.590 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.528 6.581 10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.953 7.871 12.508 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.174 6.331 12.814 1.00 0.00 H new ATOM 0 HE ARG A 77 2.732 6.026 13.980 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.268 6.619 15.085 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.161 7.770 16.355 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.423 8.224 15.181 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.234 8.671 16.409 1.00 0.00 H new ATOM 1150 N LEU A 78 4.307 2.865 9.670 1.00 0.00 N ATOM 1151 CA LEU A 78 5.782 2.605 9.678 1.00 0.00 C ATOM 1152 C LEU A 78 6.504 3.553 8.709 1.00 0.00 C ATOM 1153 O LEU A 78 7.697 3.771 8.842 1.00 0.00 O ATOM 1154 CB LEU A 78 6.041 1.148 9.279 1.00 0.00 C ATOM 1155 CG LEU A 78 5.323 0.214 10.263 1.00 0.00 C ATOM 1156 CD1 LEU A 78 4.736 -0.986 9.507 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.319 -0.281 11.320 1.00 0.00 C ATOM 0 H LEU A 78 3.758 2.188 9.141 1.00 0.00 H new ATOM 0 HA LEU A 78 6.169 2.784 10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.685 0.969 8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.112 0.944 9.282 1.00 0.00 H new ATOM 0 HG LEU A 78 4.516 0.759 10.752 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.228 -1.646 10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.024 -0.633 8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.539 -1.533 9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.809 -0.944 12.018 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.129 -0.823 10.831 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.728 0.572 11.862 1.00 0.00 H new ATOM 1169 N LEU A 79 5.794 4.125 7.746 1.00 0.00 N ATOM 1170 CA LEU A 79 6.442 5.070 6.781 1.00 0.00 C ATOM 1171 C LEU A 79 6.980 6.274 7.563 1.00 0.00 C ATOM 1172 O LEU A 79 6.249 7.209 7.856 1.00 0.00 O ATOM 1173 CB LEU A 79 5.414 5.536 5.743 1.00 0.00 C ATOM 1174 CG LEU A 79 4.953 4.340 4.908 1.00 0.00 C ATOM 1175 CD1 LEU A 79 3.806 4.769 3.994 1.00 0.00 C ATOM 1176 CD2 LEU A 79 6.118 3.833 4.054 1.00 0.00 C ATOM 0 H LEU A 79 4.797 3.973 7.595 1.00 0.00 H new ATOM 0 HA LEU A 79 7.260 4.571 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.561 5.995 6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.853 6.296 5.097 1.00 0.00 H new ATOM 0 HG LEU A 79 4.614 3.545 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.477 3.917 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.975 5.132 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.147 5.565 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.789 2.981 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.457 4.629 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.939 3.527 4.703 1.00 0.00 H new ATOM 1188 N GLN A 80 8.249 6.238 7.917 1.00 0.00 N ATOM 1189 CA GLN A 80 8.858 7.356 8.702 1.00 0.00 C ATOM 1190 C GLN A 80 10.298 7.599 8.249 1.00 0.00 C ATOM 1191 O GLN A 80 10.818 6.908 7.391 1.00 0.00 O ATOM 1192 CB GLN A 80 8.842 6.996 10.190 1.00 0.00 C ATOM 1193 CG GLN A 80 7.412 6.658 10.614 1.00 0.00 C ATOM 1194 CD GLN A 80 7.243 6.930 12.110 1.00 0.00 C ATOM 1195 OE1 GLN A 80 6.971 6.027 12.876 1.00 0.00 O ATOM 1196 NE2 GLN A 80 7.390 8.145 12.561 1.00 0.00 N ATOM 0 H GLN A 80 8.888 5.476 7.692 1.00 0.00 H new ATOM 0 HA GLN A 80 8.280 8.265 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.499 6.147 10.377 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.221 7.829 10.781 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.702 7.256 10.043 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.195 5.612 10.397 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.618 8.903 11.918 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.277 8.337 13.556 1.00 0.00 H new ATOM 1205 N ASP A 81 10.920 8.600 8.825 1.00 0.00 N ATOM 1206 CA ASP A 81 12.326 8.971 8.467 1.00 0.00 C ATOM 1207 C ASP A 81 13.265 7.757 8.514 1.00 0.00 C ATOM 1208 O ASP A 81 13.640 7.283 9.572 1.00 0.00 O ATOM 1209 CB ASP A 81 12.832 10.032 9.448 1.00 0.00 C ATOM 1210 CG ASP A 81 11.961 11.285 9.341 1.00 0.00 C ATOM 1211 OD1 ASP A 81 11.941 11.879 8.274 1.00 0.00 O ATOM 1212 OD2 ASP A 81 11.329 11.630 10.326 1.00 0.00 O ATOM 0 H ASP A 81 10.502 9.189 9.545 1.00 0.00 H new ATOM 0 HA ASP A 81 12.322 9.358 7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.805 9.643 10.466 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.871 10.279 9.229 1.00 0.00 H new ATOM 1217 N LEU A 82 13.672 7.305 7.354 1.00 0.00 N ATOM 1218 CA LEU A 82 14.634 6.168 7.225 1.00 0.00 C ATOM 1219 C LEU A 82 16.030 6.766 6.932 1.00 0.00 C ATOM 1220 O LEU A 82 16.124 7.955 6.655 1.00 0.00 O ATOM 1221 CB LEU A 82 14.166 5.247 6.082 1.00 0.00 C ATOM 1222 CG LEU A 82 13.081 4.286 6.599 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.587 3.394 5.457 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.665 3.390 7.698 1.00 0.00 C ATOM 0 H LEU A 82 13.366 7.692 6.461 1.00 0.00 H new ATOM 0 HA LEU A 82 14.682 5.574 8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.774 5.844 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.011 4.680 5.690 1.00 0.00 H new ATOM 0 HG LEU A 82 12.253 4.874 6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.819 2.716 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.169 4.015 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.421 2.814 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.894 2.711 8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.496 2.812 7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.021 4.009 8.521 1.00 0.00 H new ATOM 1236 N PRO A 83 17.087 5.962 7.015 1.00 0.00 N ATOM 1237 CA PRO A 83 18.458 6.469 6.784 1.00 0.00 C ATOM 1238 C PRO A 83 18.649 6.947 5.344 1.00 0.00 C ATOM 1239 O PRO A 83 18.873 6.168 4.434 1.00 0.00 O ATOM 1240 CB PRO A 83 19.363 5.288 7.154 1.00 0.00 C ATOM 1241 CG PRO A 83 18.480 4.026 7.080 1.00 0.00 C ATOM 1242 CD PRO A 83 17.032 4.504 7.304 1.00 0.00 C ATOM 0 HA PRO A 83 18.690 7.350 7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.206 5.214 6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.778 5.414 8.154 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.583 3.535 6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.773 3.300 7.839 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.335 3.991 6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.701 4.311 8.325 1.00 0.00 H new ATOM 1250 N GLY A 84 18.566 8.250 5.163 1.00 0.00 N ATOM 1251 CA GLY A 84 18.741 8.879 3.818 1.00 0.00 C ATOM 1252 C GLY A 84 17.383 9.027 3.103 1.00 0.00 C ATOM 1253 O GLY A 84 17.312 9.674 2.070 1.00 0.00 O ATOM 0 H GLY A 84 18.379 8.915 5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.208 9.858 3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.412 8.271 3.212 1.00 0.00 H new ATOM 1257 N CYS A 85 16.305 8.432 3.624 1.00 0.00 N ATOM 1258 CA CYS A 85 14.968 8.545 2.946 1.00 0.00 C ATOM 1259 C CYS A 85 13.944 9.237 3.877 1.00 0.00 C ATOM 1260 O CYS A 85 13.288 8.563 4.645 1.00 0.00 O ATOM 1261 CB CYS A 85 14.448 7.153 2.548 1.00 0.00 C ATOM 1262 SG CYS A 85 15.135 6.649 0.946 1.00 0.00 S ATOM 0 H CYS A 85 16.307 7.881 4.482 1.00 0.00 H new ATOM 0 HA CYS A 85 15.093 9.148 2.047 1.00 0.00 H new ATOM 0 HB2 CYS A 85 14.721 6.425 3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.359 7.167 2.495 1.00 0.00 H new ATOM 1267 N PRO A 86 13.823 10.562 3.801 1.00 0.00 N ATOM 1268 CA PRO A 86 12.878 11.309 4.665 1.00 0.00 C ATOM 1269 C PRO A 86 11.432 11.068 4.238 1.00 0.00 C ATOM 1270 O PRO A 86 11.179 10.593 3.144 1.00 0.00 O ATOM 1271 CB PRO A 86 13.254 12.780 4.449 1.00 0.00 C ATOM 1272 CG PRO A 86 14.018 12.845 3.112 1.00 0.00 C ATOM 1273 CD PRO A 86 14.571 11.431 2.852 1.00 0.00 C ATOM 0 HA PRO A 86 12.945 11.000 5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.363 13.407 4.418 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.873 13.146 5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.358 13.158 2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.827 13.574 3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.408 11.124 1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.645 11.385 3.033 1.00 0.00 H new ATOM 1281 N ARG A 87 10.480 11.428 5.092 1.00 0.00 N ATOM 1282 CA ARG A 87 9.031 11.275 4.759 1.00 0.00 C ATOM 1283 C ARG A 87 8.762 11.829 3.359 1.00 0.00 C ATOM 1284 O ARG A 87 7.841 11.408 2.684 1.00 0.00 O ATOM 1285 CB ARG A 87 8.212 12.106 5.741 1.00 0.00 C ATOM 1286 CG ARG A 87 8.455 11.631 7.175 1.00 0.00 C ATOM 1287 CD ARG A 87 7.178 11.004 7.746 1.00 0.00 C ATOM 1288 NE ARG A 87 6.030 11.936 7.548 1.00 0.00 N ATOM 1289 CZ ARG A 87 5.951 13.037 8.246 1.00 0.00 C ATOM 1290 NH1 ARG A 87 6.702 14.059 7.937 1.00 0.00 N ATOM 1291 NH2 ARG A 87 5.120 13.117 9.249 1.00 0.00 N ATOM 0 H ARG A 87 10.662 11.825 6.014 1.00 0.00 H new ATOM 0 HA ARG A 87 8.763 10.220 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.481 13.158 5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.152 12.026 5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.266 10.903 7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.767 12.470 7.797 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.976 10.053 7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.308 10.792 8.807 1.00 0.00 H new ATOM 0 HE ARG A 87 5.305 11.713 6.866 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.349 13.997 7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.641 14.920 8.481 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.531 12.319 9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.059 13.977 9.793 1.00 0.00 H new ATOM 1305 N GLN A 88 9.559 12.796 2.953 1.00 0.00 N ATOM 1306 CA GLN A 88 9.378 13.440 1.608 1.00 0.00 C ATOM 1307 C GLN A 88 9.458 12.396 0.480 1.00 0.00 C ATOM 1308 O GLN A 88 8.563 12.311 -0.354 1.00 0.00 O ATOM 1309 CB GLN A 88 10.468 14.500 1.402 1.00 0.00 C ATOM 1310 CG GLN A 88 10.501 15.460 2.604 1.00 0.00 C ATOM 1311 CD GLN A 88 10.173 16.884 2.146 1.00 0.00 C ATOM 1312 OE1 GLN A 88 10.876 17.451 1.335 1.00 0.00 O ATOM 1313 NE2 GLN A 88 9.126 17.489 2.637 1.00 0.00 N ATOM 0 H GLN A 88 10.334 13.169 3.502 1.00 0.00 H new ATOM 0 HA GLN A 88 8.392 13.905 1.577 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.438 14.018 1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.276 15.058 0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.783 15.137 3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.485 15.437 3.071 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.535 17.013 3.319 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.899 18.438 2.339 1.00 0.00 H new ATOM 1322 N VAL A 89 10.521 11.614 0.443 1.00 0.00 N ATOM 1323 CA VAL A 89 10.686 10.587 -0.623 1.00 0.00 C ATOM 1324 C VAL A 89 9.580 9.551 -0.498 1.00 0.00 C ATOM 1325 O VAL A 89 9.045 9.082 -1.489 1.00 0.00 O ATOM 1326 CB VAL A 89 12.048 9.934 -0.437 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.286 8.889 -1.527 1.00 0.00 C ATOM 1328 CG2 VAL A 89 13.111 11.013 -0.520 1.00 0.00 C ATOM 0 H VAL A 89 11.284 11.652 1.118 1.00 0.00 H new ATOM 0 HA VAL A 89 10.625 11.040 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 89 12.090 9.437 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.264 8.429 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.513 8.123 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.251 9.369 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.096 10.564 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.061 11.499 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.942 11.752 0.263 1.00 0.00 H new ATOM 1338 N GLN A 90 9.239 9.207 0.717 1.00 0.00 N ATOM 1339 CA GLN A 90 8.155 8.207 0.953 1.00 0.00 C ATOM 1340 C GLN A 90 6.836 8.766 0.411 1.00 0.00 C ATOM 1341 O GLN A 90 5.949 8.016 0.042 1.00 0.00 O ATOM 1342 CB GLN A 90 8.026 7.934 2.460 1.00 0.00 C ATOM 1343 CG GLN A 90 8.197 6.435 2.746 1.00 0.00 C ATOM 1344 CD GLN A 90 9.593 5.960 2.321 1.00 0.00 C ATOM 1345 OE1 GLN A 90 9.753 4.838 1.890 1.00 0.00 O ATOM 1346 NE2 GLN A 90 10.619 6.762 2.436 1.00 0.00 N ATOM 0 H GLN A 90 9.669 9.580 1.563 1.00 0.00 H new ATOM 0 HA GLN A 90 8.394 7.274 0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.778 8.503 3.005 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.052 8.270 2.815 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.049 6.243 3.809 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.435 5.868 2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.490 7.707 2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.549 6.443 2.164 1.00 0.00 H new ATOM 1355 N ARG A 91 6.709 10.079 0.369 1.00 0.00 N ATOM 1356 CA ARG A 91 5.458 10.714 -0.151 1.00 0.00 C ATOM 1357 C ARG A 91 5.468 10.693 -1.684 1.00 0.00 C ATOM 1358 O ARG A 91 4.434 10.532 -2.309 1.00 0.00 O ATOM 1359 CB ARG A 91 5.354 12.158 0.355 1.00 0.00 C ATOM 1360 CG ARG A 91 3.924 12.429 0.841 1.00 0.00 C ATOM 1361 CD ARG A 91 3.658 11.636 2.127 1.00 0.00 C ATOM 1362 NE ARG A 91 2.278 11.068 2.092 1.00 0.00 N ATOM 1363 CZ ARG A 91 1.323 11.627 2.784 1.00 0.00 C ATOM 1364 NH1 ARG A 91 1.546 12.015 4.011 1.00 0.00 N ATOM 1365 NH2 ARG A 91 0.143 11.792 2.253 1.00 0.00 N ATOM 0 H ARG A 91 7.426 10.736 0.676 1.00 0.00 H new ATOM 0 HA ARG A 91 4.595 10.153 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.062 12.322 1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.616 12.854 -0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.787 13.495 1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.207 12.144 0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.389 10.834 2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.773 12.284 2.996 1.00 0.00 H new ATOM 0 HE ARG A 91 2.081 10.242 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.467 11.881 4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.799 12.452 4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.034 11.484 1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.603 12.229 2.794 1.00 0.00 H new ATOM 1379 N ALA A 92 6.631 10.865 -2.287 1.00 0.00 N ATOM 1380 CA ALA A 92 6.731 10.864 -3.782 1.00 0.00 C ATOM 1381 C ALA A 92 6.417 9.465 -4.325 1.00 0.00 C ATOM 1382 O ALA A 92 5.617 9.320 -5.235 1.00 0.00 O ATOM 1383 CB ALA A 92 8.143 11.273 -4.202 1.00 0.00 C ATOM 0 H ALA A 92 7.516 11.006 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 92 6.012 11.575 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.214 11.272 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.359 12.273 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.864 10.567 -3.791 1.00 0.00 H new ATOM 1389 N PHE A 93 7.048 8.446 -3.778 1.00 0.00 N ATOM 1390 CA PHE A 93 6.804 7.038 -4.240 1.00 0.00 C ATOM 1391 C PHE A 93 5.493 6.493 -3.644 1.00 0.00 C ATOM 1392 O PHE A 93 4.910 5.569 -4.185 1.00 0.00 O ATOM 1393 CB PHE A 93 7.974 6.142 -3.804 1.00 0.00 C ATOM 1394 CG PHE A 93 7.677 4.691 -4.143 1.00 0.00 C ATOM 1395 CD1 PHE A 93 6.909 3.912 -3.266 1.00 0.00 C ATOM 1396 CD2 PHE A 93 8.144 4.140 -5.339 1.00 0.00 C ATOM 1397 CE1 PHE A 93 6.612 2.584 -3.586 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.851 2.807 -5.657 1.00 0.00 C ATOM 1399 CZ PHE A 93 7.082 2.031 -4.781 1.00 0.00 C ATOM 0 H PHE A 93 7.729 8.533 -3.023 1.00 0.00 H new ATOM 0 HA PHE A 93 6.724 7.037 -5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.890 6.459 -4.302 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.142 6.246 -2.732 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.547 4.338 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.730 4.741 -6.018 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.019 1.985 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.218 2.378 -6.578 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.852 1.005 -5.029 1.00 0.00 H new ATOM 1409 N ALA A 94 5.070 7.025 -2.514 1.00 0.00 N ATOM 1410 CA ALA A 94 3.836 6.531 -1.813 1.00 0.00 C ATOM 1411 C ALA A 94 2.687 6.221 -2.798 1.00 0.00 C ATOM 1412 O ALA A 94 2.138 5.134 -2.736 1.00 0.00 O ATOM 1413 CB ALA A 94 3.374 7.579 -0.799 1.00 0.00 C ATOM 0 H ALA A 94 5.540 7.797 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 94 4.093 5.600 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.479 7.222 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.164 7.751 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.150 8.512 -1.316 1.00 0.00 H new ATOM 1419 N PRO A 95 2.354 7.157 -3.682 1.00 0.00 N ATOM 1420 CA PRO A 95 1.278 6.939 -4.667 1.00 0.00 C ATOM 1421 C PRO A 95 1.754 5.955 -5.739 1.00 0.00 C ATOM 1422 O PRO A 95 2.761 5.286 -5.560 1.00 0.00 O ATOM 1423 CB PRO A 95 0.998 8.336 -5.231 1.00 0.00 C ATOM 1424 CG PRO A 95 2.261 9.180 -4.954 1.00 0.00 C ATOM 1425 CD PRO A 95 3.005 8.488 -3.796 1.00 0.00 C ATOM 0 HA PRO A 95 0.374 6.500 -4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.790 8.289 -6.300 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.123 8.779 -4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.892 9.237 -5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.993 10.202 -4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.070 8.393 -4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.914 9.055 -2.870 1.00 0.00 H new ATOM 1433 N LYS A 96 1.028 5.839 -6.831 1.00 0.00 N ATOM 1434 CA LYS A 96 1.418 4.872 -7.910 1.00 0.00 C ATOM 1435 C LYS A 96 1.377 3.438 -7.343 1.00 0.00 C ATOM 1436 O LYS A 96 2.001 2.536 -7.879 1.00 0.00 O ATOM 1437 CB LYS A 96 2.837 5.188 -8.406 1.00 0.00 C ATOM 1438 CG LYS A 96 2.958 6.680 -8.728 1.00 0.00 C ATOM 1439 CD LYS A 96 4.303 6.951 -9.403 1.00 0.00 C ATOM 1440 CE LYS A 96 4.346 8.403 -9.892 1.00 0.00 C ATOM 1441 NZ LYS A 96 5.521 8.609 -10.794 1.00 0.00 N ATOM 0 H LYS A 96 0.181 6.374 -7.020 1.00 0.00 H new ATOM 0 HA LYS A 96 0.722 4.959 -8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.567 4.911 -7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.061 4.596 -9.294 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.143 6.989 -9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.873 7.268 -7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.117 6.768 -8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.445 6.269 -10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.425 8.643 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.409 9.080 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.540 9.597 -11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.398 8.398 -10.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.444 7.976 -11.615 1.00 0.00 H new ATOM 1455 N LEU A 97 0.654 3.236 -6.253 1.00 0.00 N ATOM 1456 CA LEU A 97 0.567 1.873 -5.612 1.00 0.00 C ATOM 1457 C LEU A 97 -0.304 0.924 -6.460 1.00 0.00 C ATOM 1458 O LEU A 97 0.201 -0.054 -6.989 1.00 0.00 O ATOM 1459 CB LEU A 97 -0.034 2.016 -4.205 1.00 0.00 C ATOM 1460 CG LEU A 97 0.833 1.278 -3.170 1.00 0.00 C ATOM 1461 CD1 LEU A 97 0.889 -0.219 -3.505 1.00 0.00 C ATOM 1462 CD2 LEU A 97 2.254 1.860 -3.171 1.00 0.00 C ATOM 0 H LEU A 97 0.118 3.963 -5.779 1.00 0.00 H new ATOM 0 HA LEU A 97 1.569 1.448 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.108 3.071 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.047 1.613 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 97 0.391 1.407 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.505 -0.734 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.119 -0.633 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.321 -0.354 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.863 1.334 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.695 1.741 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.214 2.919 -2.917 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.596 1.184 -6.600 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.470 0.281 -7.420 1.00 0.00 C ATOM 1476 C VAL A 98 -2.406 0.647 -8.913 1.00 0.00 C ATOM 1477 O VAL A 98 -3.292 0.299 -9.681 1.00 0.00 O ATOM 1478 CB VAL A 98 -3.904 0.411 -6.940 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -3.994 -0.069 -5.506 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.355 1.874 -7.020 1.00 0.00 C ATOM 0 H VAL A 98 -2.074 1.981 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.115 -0.743 -7.301 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.552 -0.194 -7.574 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.022 0.022 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.683 -1.112 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.342 0.537 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.385 1.957 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.710 2.488 -6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.291 2.219 -8.052 1.00 0.00 H new ATOM 1490 N THR A 99 -1.370 1.335 -9.321 1.00 0.00 N ATOM 1491 CA THR A 99 -1.219 1.722 -10.760 1.00 0.00 C ATOM 1492 C THR A 99 -0.265 0.732 -11.438 1.00 0.00 C ATOM 1493 O THR A 99 0.295 -0.126 -10.779 1.00 0.00 O ATOM 1494 CB THR A 99 -0.646 3.148 -10.861 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.726 3.153 -10.480 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.417 4.078 -9.937 1.00 0.00 C ATOM 0 H THR A 99 -0.613 1.649 -8.713 1.00 0.00 H new ATOM 0 HA THR A 99 -2.191 1.698 -11.253 1.00 0.00 H new ATOM 0 HB THR A 99 -0.739 3.489 -11.892 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.123 4.022 -10.699 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.008 5.086 -10.011 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.468 4.090 -10.227 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.328 3.726 -8.909 1.00 0.00 H new ATOM 1504 N GLU A 100 -0.079 0.834 -12.743 1.00 0.00 N ATOM 1505 CA GLU A 100 0.844 -0.109 -13.448 1.00 0.00 C ATOM 1506 C GLU A 100 2.302 -0.003 -12.918 1.00 0.00 C ATOM 1507 O GLU A 100 3.152 -0.750 -13.379 1.00 0.00 O ATOM 1508 CB GLU A 100 0.823 0.203 -14.953 1.00 0.00 C ATOM 1509 CG GLU A 100 0.645 -1.092 -15.759 1.00 0.00 C ATOM 1510 CD GLU A 100 1.966 -1.471 -16.434 1.00 0.00 C ATOM 1511 OE1 GLU A 100 2.974 -1.494 -15.748 1.00 0.00 O ATOM 1512 OE2 GLU A 100 1.946 -1.733 -17.626 1.00 0.00 O ATOM 0 H GLU A 100 -0.527 1.528 -13.341 1.00 0.00 H new ATOM 0 HA GLU A 100 0.498 -1.125 -13.260 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.011 0.895 -15.177 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.751 0.696 -15.243 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.318 -1.898 -15.102 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.133 -0.959 -16.511 1.00 0.00 H new ATOM 1519 N VAL A 101 2.623 0.899 -11.975 1.00 0.00 N ATOM 1520 CA VAL A 101 4.034 0.999 -11.478 1.00 0.00 C ATOM 1521 C VAL A 101 4.236 0.148 -10.212 1.00 0.00 C ATOM 1522 O VAL A 101 5.333 0.112 -9.677 1.00 0.00 O ATOM 1523 CB VAL A 101 4.367 2.462 -11.156 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.871 2.599 -10.909 1.00 0.00 C ATOM 1525 CG2 VAL A 101 3.969 3.359 -12.333 1.00 0.00 C ATOM 0 H VAL A 101 1.966 1.551 -11.547 1.00 0.00 H new ATOM 0 HA VAL A 101 4.695 0.627 -12.260 1.00 0.00 H new ATOM 0 HB VAL A 101 3.815 2.765 -10.266 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.109 3.638 -10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.161 1.967 -10.070 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.416 2.290 -11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.208 4.396 -12.097 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.517 3.054 -13.225 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.898 3.266 -12.515 1.00 0.00 H new ATOM 1535 N GLU A 102 3.204 -0.528 -9.720 1.00 0.00 N ATOM 1536 CA GLU A 102 3.374 -1.360 -8.479 1.00 0.00 C ATOM 1537 C GLU A 102 2.644 -2.715 -8.611 1.00 0.00 C ATOM 1538 O GLU A 102 3.243 -3.684 -9.049 1.00 0.00 O ATOM 1539 CB GLU A 102 2.851 -0.576 -7.268 1.00 0.00 C ATOM 1540 CG GLU A 102 4.023 -0.085 -6.414 1.00 0.00 C ATOM 1541 CD GLU A 102 4.444 -1.193 -5.447 1.00 0.00 C ATOM 1542 OE1 GLU A 102 3.665 -1.505 -4.560 1.00 0.00 O ATOM 1543 OE2 GLU A 102 5.537 -1.710 -5.609 1.00 0.00 O ATOM 0 H GLU A 102 2.267 -0.535 -10.123 1.00 0.00 H new ATOM 0 HA GLU A 102 4.434 -1.574 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.255 0.273 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.195 -1.209 -6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.861 0.194 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.734 0.808 -5.859 1.00 0.00 H new ATOM 1550 N CYS A 103 1.374 -2.803 -8.222 1.00 0.00 N ATOM 1551 CA CYS A 103 0.635 -4.109 -8.310 1.00 0.00 C ATOM 1552 C CYS A 103 -0.848 -3.839 -8.670 1.00 0.00 C ATOM 1553 O CYS A 103 -1.747 -4.468 -8.130 1.00 0.00 O ATOM 1554 CB CYS A 103 0.732 -4.814 -6.945 1.00 0.00 C ATOM 1555 SG CYS A 103 2.387 -5.528 -6.741 1.00 0.00 S ATOM 0 H CYS A 103 0.829 -2.025 -7.851 1.00 0.00 H new ATOM 0 HA CYS A 103 1.071 -4.743 -9.082 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.531 -4.104 -6.143 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.023 -5.597 -6.875 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.101 -2.882 -9.562 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.507 -2.507 -9.969 1.00 0.00 C ATOM 1562 C ASN A 104 -3.469 -3.705 -10.015 1.00 0.00 C ATOM 1563 O ASN A 104 -4.450 -3.715 -9.292 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.500 -1.817 -11.344 1.00 0.00 C ATOM 1565 CG ASN A 104 -1.602 -2.568 -12.341 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -0.449 -2.834 -12.069 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -2.090 -2.917 -13.500 1.00 0.00 N ATOM 0 H ASN A 104 -0.374 -2.340 -10.029 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.871 -1.826 -9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.517 -1.767 -11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.149 -0.791 -11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.503 -3.411 -14.173 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.058 -2.696 -13.733 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.205 -4.701 -10.850 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.117 -5.902 -10.950 1.00 0.00 C ATOM 1576 C LEU A 105 -5.606 -5.462 -10.961 1.00 0.00 C ATOM 1577 O LEU A 105 -6.476 -6.165 -10.466 1.00 0.00 O ATOM 1578 CB LEU A 105 -3.849 -6.822 -9.750 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.531 -7.588 -9.964 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -1.650 -7.459 -8.717 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -2.829 -9.074 -10.229 1.00 0.00 C ATOM 0 H LEU A 105 -2.394 -4.731 -11.467 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.917 -6.432 -11.881 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.794 -6.233 -8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.673 -7.525 -9.628 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.009 -7.166 -10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.718 -8.002 -8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.431 -6.407 -8.534 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.174 -7.875 -7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.893 -9.612 -10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.357 -9.497 -9.374 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.449 -9.167 -11.121 1.00 0.00 H new ATOM 1593 N ALA A 106 -5.890 -4.287 -11.511 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.292 -3.759 -11.553 1.00 0.00 C ATOM 1595 C ALA A 106 -7.749 -3.464 -10.122 1.00 0.00 C ATOM 1596 O ALA A 106 -7.303 -4.102 -9.183 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.223 -4.788 -12.208 1.00 0.00 C ATOM 0 H ALA A 106 -5.195 -3.673 -11.934 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.325 -2.844 -12.144 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.239 -4.395 -12.234 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.886 -4.988 -13.225 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.206 -5.713 -11.631 1.00 0.00 H new ATOM 1603 N THR A 107 -8.621 -2.493 -9.962 1.00 0.00 N ATOM 1604 CA THR A 107 -9.122 -2.114 -8.596 1.00 0.00 C ATOM 1605 C THR A 107 -10.650 -2.317 -8.575 1.00 0.00 C ATOM 1606 O THR A 107 -11.186 -3.023 -9.414 1.00 0.00 O ATOM 1607 CB THR A 107 -8.763 -0.631 -8.299 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.701 0.245 -8.915 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.375 -0.304 -8.852 1.00 0.00 C ATOM 0 H THR A 107 -9.011 -1.941 -10.726 1.00 0.00 H new ATOM 0 HA THR A 107 -8.657 -2.735 -7.830 1.00 0.00 H new ATOM 0 HB THR A 107 -8.782 -0.494 -7.218 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.278 1.113 -9.080 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.134 0.737 -8.638 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.634 -0.952 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.366 -0.464 -9.930 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.349 -1.684 -7.650 1.00 0.00 N ATOM 1618 CA ILE A 108 -12.844 -1.810 -7.610 1.00 0.00 C ATOM 1619 C ILE A 108 -13.407 -1.129 -8.867 1.00 0.00 C ATOM 1620 O ILE A 108 -14.423 -1.532 -9.407 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.395 -1.132 -6.344 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -14.919 -1.290 -6.304 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -13.037 0.360 -6.341 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.397 -1.319 -4.851 1.00 0.00 C ATOM 0 H ILE A 108 -10.947 -1.089 -6.926 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.138 -2.859 -7.586 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.951 -1.604 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -15.394 -0.466 -6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.212 -2.209 -6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.433 0.827 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.953 0.474 -6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.470 0.840 -7.219 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.481 -1.431 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.933 -2.158 -4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.118 -0.388 -4.357 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.730 -0.093 -9.319 1.00 0.00 N ATOM 1637 CA HIS A 109 -13.153 0.674 -10.533 1.00 0.00 C ATOM 1638 C HIS A 109 -12.898 -0.119 -11.833 1.00 0.00 C ATOM 1639 O HIS A 109 -13.160 0.388 -12.911 1.00 0.00 O ATOM 1640 CB HIS A 109 -12.336 1.961 -10.571 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.708 2.819 -9.397 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -12.184 2.915 -8.133 1.00 0.00 N flip ATOM 1643 CD2 HIS A 109 -13.754 3.724 -9.445 1.00 0.00 C flip ATOM 1644 CE1 HIS A 109 -12.891 3.863 -7.404 1.00 0.00 C flip ATOM 1645 NE2 HIS A 109 -13.826 4.319 -8.241 1.00 0.00 N flip ATOM 0 H HIS A 109 -11.879 0.259 -8.881 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.223 0.872 -10.472 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.271 1.730 -10.545 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.523 2.497 -11.502 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -14.394 3.917 -10.293 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -12.721 4.166 -6.381 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -14.512 5.033 -7.997 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.394 -1.342 -11.749 1.00 0.00 N ATOM 1654 CA GLY A 110 -12.122 -2.152 -12.981 1.00 0.00 C ATOM 1655 C GLY A 110 -11.156 -1.390 -13.890 1.00 0.00 C ATOM 1656 O GLY A 110 -11.237 -1.485 -15.104 1.00 0.00 O ATOM 0 H GLY A 110 -12.161 -1.808 -10.872 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.696 -3.117 -12.708 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.054 -2.353 -13.510 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.250 -0.636 -13.303 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.262 0.151 -14.105 1.00 0.00 C ATOM 1662 C GLY A 111 -8.068 0.559 -13.219 1.00 0.00 C ATOM 1663 O GLY A 111 -8.120 0.376 -12.018 1.00 0.00 O ATOM 0 H GLY A 111 -10.156 -0.534 -12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.912 -0.442 -14.950 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.741 1.040 -14.516 1.00 0.00 H new ATOM 1667 N PRO A 112 -7.021 1.097 -13.840 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.801 1.537 -13.121 1.00 0.00 C ATOM 1669 C PRO A 112 -6.006 2.910 -12.443 1.00 0.00 C ATOM 1670 O PRO A 112 -5.439 3.911 -12.860 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.743 1.618 -14.235 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.510 1.774 -15.567 1.00 0.00 C ATOM 1673 CD PRO A 112 -6.950 1.301 -15.310 1.00 0.00 C ATOM 0 HA PRO A 112 -5.520 0.861 -12.313 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.074 2.463 -14.073 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.125 0.720 -14.247 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.498 2.812 -15.900 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.043 1.181 -16.353 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.676 2.043 -15.643 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.166 0.379 -15.849 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.788 2.945 -11.380 1.00 0.00 N ATOM 1682 CA PHE A 113 -7.026 4.227 -10.628 1.00 0.00 C ATOM 1683 C PHE A 113 -8.060 4.003 -9.512 1.00 0.00 C ATOM 1684 O PHE A 113 -8.885 3.108 -9.604 1.00 0.00 O ATOM 1685 CB PHE A 113 -7.537 5.335 -11.571 1.00 0.00 C ATOM 1686 CG PHE A 113 -8.846 4.938 -12.228 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -8.840 4.142 -13.381 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -10.064 5.393 -11.702 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -10.047 3.799 -14.004 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -11.271 5.054 -12.330 1.00 0.00 C ATOM 1691 CZ PHE A 113 -11.263 4.256 -13.481 1.00 0.00 C ATOM 0 H PHE A 113 -7.274 2.133 -11.000 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.076 4.540 -10.195 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.675 6.259 -11.009 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -6.789 5.537 -12.338 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.904 3.792 -13.790 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -10.072 6.005 -10.812 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -10.040 3.181 -14.890 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -12.208 5.409 -11.926 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.193 3.994 -13.964 1.00 0.00 H new ATOM 1701 N CYS A 114 -8.029 4.825 -8.471 1.00 0.00 N ATOM 1702 CA CYS A 114 -9.016 4.689 -7.352 1.00 0.00 C ATOM 1703 C CYS A 114 -9.152 6.042 -6.627 1.00 0.00 C ATOM 1704 O CYS A 114 -8.208 6.813 -6.582 1.00 0.00 O ATOM 1705 CB CYS A 114 -8.545 3.606 -6.364 1.00 0.00 C ATOM 1706 SG CYS A 114 -7.076 4.163 -5.457 1.00 0.00 S ATOM 0 H CYS A 114 -7.357 5.583 -8.357 1.00 0.00 H new ATOM 0 HA CYS A 114 -9.985 4.396 -7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -9.346 3.374 -5.662 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -8.318 2.687 -6.905 1.00 0.00 H new ATOM 1711 N LEU A 115 -10.315 6.329 -6.056 1.00 0.00 N ATOM 1712 CA LEU A 115 -10.518 7.625 -5.329 1.00 0.00 C ATOM 1713 C LEU A 115 -10.212 8.804 -6.260 1.00 0.00 C ATOM 1714 O LEU A 115 -9.904 8.619 -7.424 1.00 0.00 O ATOM 1715 CB LEU A 115 -9.583 7.675 -4.114 1.00 0.00 C ATOM 1716 CG LEU A 115 -10.324 8.277 -2.912 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -10.752 7.159 -1.957 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -9.402 9.250 -2.173 1.00 0.00 C ATOM 0 H LEU A 115 -11.129 5.714 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.555 7.694 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.233 6.672 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.702 8.273 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.206 8.810 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.278 7.590 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.413 6.467 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.870 6.623 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.931 9.676 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.517 8.718 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.100 10.050 -2.849 1.00 0.00 H new ATOM 1730 N SER A 116 -10.299 10.011 -5.738 1.00 0.00 N ATOM 1731 CA SER A 116 -10.021 11.238 -6.552 1.00 0.00 C ATOM 1732 C SER A 116 -10.949 11.268 -7.781 1.00 0.00 C ATOM 1733 O SER A 116 -12.036 11.811 -7.707 1.00 0.00 O ATOM 1734 CB SER A 116 -8.549 11.245 -6.980 1.00 0.00 C ATOM 1735 OG SER A 116 -7.812 12.102 -6.118 1.00 0.00 O ATOM 0 H SER A 116 -10.555 10.196 -4.768 1.00 0.00 H new ATOM 0 HA SER A 116 -10.214 12.129 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.142 10.234 -6.941 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.460 11.585 -8.012 1.00 0.00 H new ATOM 0 HG SER A 116 -6.870 12.107 -6.389 1.00 0.00 H new ATOM 1741 N LEU A 117 -10.531 10.691 -8.897 1.00 0.00 N ATOM 1742 CA LEU A 117 -11.378 10.674 -10.138 1.00 0.00 C ATOM 1743 C LEU A 117 -11.776 12.110 -10.527 1.00 0.00 C ATOM 1744 O LEU A 117 -11.082 12.749 -11.301 1.00 0.00 O ATOM 1745 CB LEU A 117 -12.629 9.812 -9.897 1.00 0.00 C ATOM 1746 CG LEU A 117 -12.453 8.431 -10.558 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -12.540 7.333 -9.496 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -13.554 8.211 -11.601 1.00 0.00 C ATOM 0 H LEU A 117 -9.628 10.227 -8.996 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.806 10.243 -10.960 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -12.798 9.693 -8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -13.508 10.310 -10.305 1.00 0.00 H new ATOM 0 HG LEU A 117 -11.478 8.393 -11.043 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -12.415 6.359 -9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -11.754 7.480 -8.755 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -13.513 7.377 -9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.425 7.233 -12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.529 8.257 -11.116 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -13.492 8.986 -12.365 1.00 0.00 H new ATOM 1760 N LEU A 118 -12.886 12.616 -10.010 1.00 0.00 N ATOM 1761 CA LEU A 118 -13.341 14.005 -10.356 1.00 0.00 C ATOM 1762 C LEU A 118 -12.225 15.061 -10.186 1.00 0.00 C ATOM 1763 O LEU A 118 -12.335 16.144 -10.737 1.00 0.00 O ATOM 1764 CB LEU A 118 -14.551 14.387 -9.493 1.00 0.00 C ATOM 1765 CG LEU A 118 -15.823 13.808 -10.110 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -16.927 13.765 -9.054 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -16.271 14.688 -11.279 1.00 0.00 C ATOM 0 H LEU A 118 -13.495 12.118 -9.360 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.617 13.996 -11.410 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.421 14.008 -8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -14.631 15.472 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 118 -15.624 12.799 -10.471 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -17.835 13.352 -9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -16.609 13.138 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -17.125 14.774 -8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -17.179 14.274 -11.719 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -16.470 15.698 -10.919 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -15.484 14.720 -12.033 1.00 0.00 H new ATOM 1779 N GLY A 119 -11.166 14.772 -9.444 1.00 0.00 N ATOM 1780 CA GLY A 119 -10.064 15.770 -9.256 1.00 0.00 C ATOM 1781 C GLY A 119 -8.833 15.329 -10.051 1.00 0.00 C ATOM 1782 O GLY A 119 -7.713 15.438 -9.578 1.00 0.00 O ATOM 0 H GLY A 119 -11.025 13.884 -8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.391 16.755 -9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -9.815 15.857 -8.198 1.00 0.00 H new ATOM 1786 N ALA A 120 -9.043 14.834 -11.253 1.00 0.00 N ATOM 1787 CA ALA A 120 -7.905 14.375 -12.112 1.00 0.00 C ATOM 1788 C ALA A 120 -7.512 15.502 -13.078 1.00 0.00 C ATOM 1789 O ALA A 120 -7.439 15.322 -14.288 1.00 0.00 O ATOM 1790 CB ALA A 120 -8.330 13.123 -12.886 1.00 0.00 C ATOM 0 H ALA A 120 -9.965 14.729 -11.677 1.00 0.00 H new ATOM 0 HA ALA A 120 -7.042 14.129 -11.493 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.505 12.785 -13.513 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -8.598 12.334 -12.183 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -9.190 13.358 -13.514 1.00 0.00 H new ATOM 1796 N GLY A 121 -7.249 16.668 -12.533 1.00 0.00 N ATOM 1797 CA GLY A 121 -6.845 17.845 -13.369 1.00 0.00 C ATOM 1798 C GLY A 121 -5.593 17.495 -14.183 1.00 0.00 C ATOM 1799 O GLY A 121 -5.348 18.077 -15.227 1.00 0.00 O ATOM 0 H GLY A 121 -7.298 16.856 -11.532 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -7.659 18.125 -14.038 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -6.647 18.706 -12.731 1.00 0.00 H new ATOM 1803 N GLU A 122 -4.811 16.542 -13.711 1.00 0.00 N ATOM 1804 CA GLU A 122 -3.567 16.127 -14.440 1.00 0.00 C ATOM 1805 C GLU A 122 -2.647 17.338 -14.652 1.00 0.00 C ATOM 1806 O GLU A 122 -1.687 17.202 -15.394 1.00 0.00 O ATOM 1807 CB GLU A 122 -3.954 15.534 -15.798 1.00 0.00 C ATOM 1808 CG GLU A 122 -4.476 14.109 -15.602 1.00 0.00 C ATOM 1809 CD GLU A 122 -4.728 13.464 -16.966 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -3.777 13.322 -17.717 1.00 0.00 O ATOM 1811 OE2 GLU A 122 -5.868 13.122 -17.237 1.00 0.00 O ATOM 1812 OXT GLU A 122 -2.914 18.379 -14.071 1.00 0.00 O ATOM 0 H GLU A 122 -4.986 16.033 -12.845 1.00 0.00 H new ATOM 0 HA GLU A 122 -3.036 15.382 -13.848 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -4.718 16.151 -16.272 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -3.091 15.528 -16.464 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -3.753 13.520 -15.038 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -5.397 14.125 -15.020 1.00 0.00 H new TER 1819 GLU A 122