USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 430 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 Single : A 1 ARG N :NH3+ 177:sc= -6.72! (180deg=-6.98!) USER MOD Single : A 4 TYR OH : rot 30:sc= -0.467 USER MOD Single : A 5 ASN :FLIP amide:sc= -2.18! C(o=-3.7!,f=-2.2!) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.0832 F(o=-0.87,f=-0.083) USER MOD Single : A 9 THR OG1 : rot 71:sc= 0.196 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 25:sc= 0.644 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00663 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 18 GLN : amide:sc= -1.67! X(o=-1.7!,f=-1.6) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -1.66 F(o=-4.4!,f=-1.7) USER MOD Single : A 28 THR OG1 : rot 155:sc= -1.48! USER MOD Single : A 31 ASN : amide:sc=-0.00398 X(o=-0.004,f=-0.079) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 80:sc= 0.761! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -5.92! C(o=-5.9!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.128 11.959 2.596 1.00 0.00 N ATOM 2 CA ARG A 1 2.147 13.071 2.487 1.00 0.00 C ATOM 3 C ARG A 1 0.751 12.475 2.296 1.00 0.00 C ATOM 4 O ARG A 1 -0.014 12.358 3.233 1.00 0.00 O ATOM 5 CB ARG A 1 2.470 13.989 1.294 1.00 0.00 C ATOM 6 CG ARG A 1 3.869 13.707 0.718 1.00 0.00 C ATOM 7 CD ARG A 1 3.875 12.384 -0.080 1.00 0.00 C ATOM 8 NE ARG A 1 4.792 12.471 -1.266 1.00 0.00 N ATOM 9 CZ ARG A 1 5.413 13.585 -1.565 1.00 0.00 C ATOM 10 NH1 ARG A 1 6.396 14.005 -0.815 1.00 0.00 N ATOM 11 NH2 ARG A 1 5.051 14.275 -2.613 1.00 0.00 N ATOM 0 H1 ARG A 1 4.088 12.350 2.675 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.915 11.390 3.440 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.068 11.358 1.749 1.00 0.00 H new ATOM 0 HA ARG A 1 2.194 13.668 3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.721 13.849 0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.410 15.030 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 1 4.174 14.529 0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.597 13.652 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.191 11.566 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.864 12.153 -0.415 1.00 0.00 H new ATOM 0 HE ARG A 1 4.934 11.647 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 1 6.680 13.466 0.003 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.880 14.872 -1.047 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.284 13.947 -3.200 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.535 15.142 -2.845 1.00 0.00 H new ATOM 27 N ILE A 2 0.408 12.086 1.093 1.00 0.00 N ATOM 28 CA ILE A 2 -0.941 11.489 0.873 1.00 0.00 C ATOM 29 C ILE A 2 -0.819 10.211 0.078 1.00 0.00 C ATOM 30 O ILE A 2 -0.501 10.226 -1.091 1.00 0.00 O ATOM 31 CB ILE A 2 -1.827 12.444 0.089 1.00 0.00 C ATOM 32 CG1 ILE A 2 -1.905 13.749 0.854 1.00 0.00 C ATOM 33 CG2 ILE A 2 -3.223 11.826 -0.058 1.00 0.00 C ATOM 34 CD1 ILE A 2 -1.234 14.861 0.049 1.00 0.00 C ATOM 0 H ILE A 2 0.998 12.156 0.264 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.381 11.290 1.850 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.420 12.626 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.946 14.006 1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.417 13.643 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.864 12.505 -0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.147 10.877 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.651 11.656 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.293 15.798 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.188 14.606 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.742 14.974 -0.909 1.00 0.00 H new ATOM 46 N CYS A 3 -1.100 9.103 0.680 1.00 0.00 N ATOM 47 CA CYS A 3 -1.015 7.848 -0.102 1.00 0.00 C ATOM 48 C CYS A 3 -2.369 7.146 -0.082 1.00 0.00 C ATOM 49 O CYS A 3 -3.239 7.489 0.692 1.00 0.00 O ATOM 50 CB CYS A 3 0.060 6.916 0.474 1.00 0.00 C ATOM 51 SG CYS A 3 1.676 7.739 0.459 1.00 0.00 S ATOM 0 H CYS A 3 -1.379 9.007 1.656 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.741 8.094 -1.128 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.202 6.632 1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.106 5.997 -0.111 1.00 0.00 H new ATOM 56 N TYR A 4 -2.562 6.161 -0.918 1.00 0.00 N ATOM 57 CA TYR A 4 -3.869 5.459 -0.911 1.00 0.00 C ATOM 58 C TYR A 4 -3.910 4.541 0.295 1.00 0.00 C ATOM 59 O TYR A 4 -2.881 4.091 0.773 1.00 0.00 O ATOM 60 CB TYR A 4 -4.069 4.646 -2.187 1.00 0.00 C ATOM 61 CG TYR A 4 -4.760 5.505 -3.217 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.976 6.124 -2.905 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.190 5.680 -4.482 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.623 6.917 -3.859 1.00 0.00 C ATOM 65 CE2 TYR A 4 -4.837 6.473 -5.436 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.053 7.092 -5.125 1.00 0.00 C ATOM 67 OH TYR A 4 -6.690 7.876 -6.066 1.00 0.00 O ATOM 0 H TYR A 4 -1.880 5.819 -1.595 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.670 6.196 -0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -3.107 4.302 -2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.665 3.758 -1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.415 5.989 -1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.251 5.203 -4.722 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.562 7.394 -3.618 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.398 6.608 -6.413 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.203 8.578 -5.614 1.00 0.00 H new ATOM 77 N ASN A 5 -5.084 4.292 0.808 1.00 0.00 N ATOM 78 CA ASN A 5 -5.209 3.434 2.011 1.00 0.00 C ATOM 79 C ASN A 5 -5.944 2.116 1.696 1.00 0.00 C ATOM 80 O ASN A 5 -5.681 1.100 2.309 1.00 0.00 O ATOM 81 CB ASN A 5 -5.992 4.214 3.082 1.00 0.00 C ATOM 82 CG ASN A 5 -6.706 3.246 4.027 1.00 0.00 C ATOM 83 OD1 ASN A 5 -6.105 2.144 4.364 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -7.816 3.496 4.456 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.965 4.650 0.440 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.210 3.179 2.365 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.312 4.851 3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.720 4.870 2.605 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.283 4.362 4.188 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.280 2.839 5.084 1.00 0.00 H new ATOM 91 N HIS A 6 -6.894 2.112 0.802 1.00 0.00 N ATOM 92 CA HIS A 6 -7.644 0.838 0.582 1.00 0.00 C ATOM 93 C HIS A 6 -6.754 -0.264 0.045 1.00 0.00 C ATOM 94 O HIS A 6 -5.648 -0.050 -0.411 1.00 0.00 O ATOM 95 CB HIS A 6 -8.844 1.022 -0.332 1.00 0.00 C ATOM 96 CG HIS A 6 -10.020 0.279 0.233 1.00 0.00 C ATOM 97 ND1 HIS A 6 -10.645 -0.877 -0.164 1.00 0.00 N flip ATOM 98 CD2 HIS A 6 -10.711 0.720 1.351 1.00 0.00 C flip ATOM 99 CE1 HIS A 6 -11.708 -1.151 0.692 1.00 0.00 C flip ATOM 100 NE2 HIS A 6 -11.703 -0.158 1.586 1.00 0.00 N flip ATOM 0 H HIS A 6 -7.179 2.907 0.230 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.008 0.539 1.565 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.082 2.081 -0.429 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.613 0.654 -1.332 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.493 1.607 1.928 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.390 -1.987 0.644 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.370 -0.076 2.353 1.00 0.00 H new ATOM 108 N LEU A 7 -7.252 -1.455 0.140 1.00 0.00 N ATOM 109 CA LEU A 7 -6.484 -2.647 -0.313 1.00 0.00 C ATOM 110 C LEU A 7 -7.057 -3.221 -1.612 1.00 0.00 C ATOM 111 O LEU A 7 -8.239 -3.140 -1.880 1.00 0.00 O ATOM 112 CB LEU A 7 -6.514 -3.733 0.777 1.00 0.00 C ATOM 113 CG LEU A 7 -7.612 -3.438 1.804 1.00 0.00 C ATOM 114 CD1 LEU A 7 -7.830 -4.666 2.687 1.00 0.00 C ATOM 115 CD2 LEU A 7 -7.190 -2.254 2.679 1.00 0.00 C ATOM 0 H LEU A 7 -8.176 -1.662 0.519 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.457 -2.331 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.687 -4.708 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.546 -3.782 1.276 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.538 -3.195 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.611 -4.455 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.131 -5.511 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.903 -4.909 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.972 -2.045 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.263 -2.498 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.034 -1.376 2.052 1.00 0.00 H new ATOM 127 N GLY A 8 -6.213 -3.829 -2.399 1.00 0.00 N ATOM 128 CA GLY A 8 -6.664 -4.454 -3.672 1.00 0.00 C ATOM 129 C GLY A 8 -6.510 -3.468 -4.831 1.00 0.00 C ATOM 130 O GLY A 8 -6.324 -2.284 -4.634 1.00 0.00 O ATOM 0 H GLY A 8 -5.215 -3.920 -2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.080 -5.353 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.706 -4.763 -3.584 1.00 0.00 H new ATOM 134 N THR A 9 -6.573 -3.956 -6.041 1.00 0.00 N ATOM 135 CA THR A 9 -6.416 -3.060 -7.222 1.00 0.00 C ATOM 136 C THR A 9 -7.617 -2.120 -7.337 1.00 0.00 C ATOM 137 O THR A 9 -7.580 -1.145 -8.060 1.00 0.00 O ATOM 138 CB THR A 9 -6.306 -3.905 -8.493 1.00 0.00 C ATOM 139 OG1 THR A 9 -6.545 -5.268 -8.177 1.00 0.00 O ATOM 140 CG2 THR A 9 -4.903 -3.756 -9.083 1.00 0.00 C ATOM 0 H THR A 9 -6.727 -4.940 -6.262 1.00 0.00 H new ATOM 0 HA THR A 9 -5.511 -2.465 -7.097 1.00 0.00 H new ATOM 0 HB THR A 9 -7.044 -3.567 -9.220 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.493 -5.393 -7.964 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.823 -4.358 -9.989 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.719 -2.709 -9.325 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.165 -4.095 -8.356 1.00 0.00 H new ATOM 148 N LYS A 10 -8.678 -2.390 -6.626 1.00 0.00 N ATOM 149 CA LYS A 10 -9.860 -1.487 -6.703 1.00 0.00 C ATOM 150 C LYS A 10 -9.416 -0.079 -6.305 1.00 0.00 C ATOM 151 O LYS A 10 -8.352 0.084 -5.745 1.00 0.00 O ATOM 152 CB LYS A 10 -10.940 -1.980 -5.735 1.00 0.00 C ATOM 153 CG LYS A 10 -10.286 -2.519 -4.464 1.00 0.00 C ATOM 154 CD LYS A 10 -11.299 -2.468 -3.319 1.00 0.00 C ATOM 155 CE LYS A 10 -11.194 -3.747 -2.487 1.00 0.00 C ATOM 156 NZ LYS A 10 -12.009 -4.819 -3.126 1.00 0.00 N ATOM 0 H LYS A 10 -8.777 -3.190 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.266 -1.479 -7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.620 -1.165 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.537 -2.760 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.947 -3.543 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.406 -1.927 -4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.111 -1.597 -2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.308 -2.362 -3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.153 -4.061 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.545 -3.564 -1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.940 -5.690 -2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.003 -4.517 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.654 -4.999 -4.087 1.00 0.00 H new ATOM 170 N PRO A 11 -10.240 0.897 -6.594 1.00 0.00 N ATOM 171 CA PRO A 11 -9.939 2.300 -6.257 1.00 0.00 C ATOM 172 C PRO A 11 -10.069 2.493 -4.744 1.00 0.00 C ATOM 173 O PRO A 11 -11.156 2.432 -4.206 1.00 0.00 O ATOM 174 CB PRO A 11 -10.997 3.094 -7.029 1.00 0.00 C ATOM 175 CG PRO A 11 -12.155 2.110 -7.313 1.00 0.00 C ATOM 176 CD PRO A 11 -11.542 0.696 -7.262 1.00 0.00 C ATOM 0 HA PRO A 11 -8.930 2.617 -6.520 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.345 3.947 -6.446 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.586 3.489 -7.958 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.947 2.217 -6.572 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.601 2.306 -8.288 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.175 0.006 -6.704 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.418 0.278 -8.261 1.00 0.00 H new ATOM 184 N PRO A 12 -8.946 2.676 -4.094 1.00 0.00 N ATOM 185 CA PRO A 12 -8.895 2.828 -2.633 1.00 0.00 C ATOM 186 C PRO A 12 -9.211 4.269 -2.217 1.00 0.00 C ATOM 187 O PRO A 12 -9.569 5.098 -3.030 1.00 0.00 O ATOM 188 CB PRO A 12 -7.438 2.481 -2.295 1.00 0.00 C ATOM 189 CG PRO A 12 -6.623 2.723 -3.576 1.00 0.00 C ATOM 190 CD PRO A 12 -7.624 2.753 -4.747 1.00 0.00 C ATOM 0 HA PRO A 12 -9.622 2.201 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.071 3.102 -1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.351 1.444 -1.970 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.075 3.663 -3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.886 1.933 -3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.522 3.665 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.466 1.916 -5.428 1.00 0.00 H new ATOM 198 N THR A 13 -9.066 4.576 -0.952 1.00 0.00 N ATOM 199 CA THR A 13 -9.341 5.964 -0.486 1.00 0.00 C ATOM 200 C THR A 13 -8.033 6.567 0.021 1.00 0.00 C ATOM 201 O THR A 13 -7.386 6.015 0.889 1.00 0.00 O ATOM 202 CB THR A 13 -10.369 5.935 0.648 1.00 0.00 C ATOM 203 OG1 THR A 13 -9.860 5.162 1.726 1.00 0.00 O ATOM 204 CG2 THR A 13 -11.672 5.313 0.142 1.00 0.00 C ATOM 0 H THR A 13 -8.769 3.925 -0.225 1.00 0.00 H new ATOM 0 HA THR A 13 -9.739 6.563 -1.305 1.00 0.00 H new ATOM 0 HB THR A 13 -10.563 6.952 0.989 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.880 5.166 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.403 5.293 0.950 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.061 5.907 -0.685 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.481 4.296 -0.200 1.00 0.00 H new ATOM 212 N THR A 14 -7.617 7.678 -0.519 1.00 0.00 N ATOM 213 CA THR A 14 -6.334 8.268 -0.059 1.00 0.00 C ATOM 214 C THR A 14 -6.358 8.477 1.446 1.00 0.00 C ATOM 215 O THR A 14 -7.373 8.780 2.040 1.00 0.00 O ATOM 216 CB THR A 14 -6.059 9.597 -0.753 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.273 10.319 -0.912 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.431 9.327 -2.116 1.00 0.00 C ATOM 0 H THR A 14 -8.104 8.196 -1.250 1.00 0.00 H new ATOM 0 HA THR A 14 -5.537 7.570 -0.316 1.00 0.00 H new ATOM 0 HB THR A 14 -5.375 10.192 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.090 11.173 -1.357 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.231 10.273 -2.619 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.496 8.782 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.116 8.732 -2.721 1.00 0.00 H new ATOM 226 N GLU A 15 -5.225 8.324 2.051 1.00 0.00 N ATOM 227 CA GLU A 15 -5.116 8.514 3.520 1.00 0.00 C ATOM 228 C GLU A 15 -3.835 9.285 3.796 1.00 0.00 C ATOM 229 O GLU A 15 -2.745 8.778 3.614 1.00 0.00 O ATOM 230 CB GLU A 15 -5.043 7.156 4.223 1.00 0.00 C ATOM 231 CG GLU A 15 -6.452 6.647 4.549 1.00 0.00 C ATOM 232 CD GLU A 15 -7.241 7.742 5.271 1.00 0.00 C ATOM 233 OE1 GLU A 15 -7.879 8.529 4.593 1.00 0.00 O ATOM 234 OE2 GLU A 15 -7.191 7.774 6.490 1.00 0.00 O ATOM 0 H GLU A 15 -4.353 8.071 1.586 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.986 9.055 3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.528 6.437 3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.460 7.245 5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.966 6.359 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.392 5.756 5.174 1.00 0.00 H new ATOM 241 N THR A 16 -3.945 10.505 4.220 1.00 0.00 N ATOM 242 CA THR A 16 -2.719 11.290 4.488 1.00 0.00 C ATOM 243 C THR A 16 -1.976 10.669 5.667 1.00 0.00 C ATOM 244 O THR A 16 -2.566 10.295 6.662 1.00 0.00 O ATOM 245 CB THR A 16 -3.103 12.731 4.832 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.492 12.792 5.128 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.796 13.640 3.646 1.00 0.00 C ATOM 0 H THR A 16 -4.825 10.991 4.392 1.00 0.00 H new ATOM 0 HA THR A 16 -2.079 11.285 3.606 1.00 0.00 H new ATOM 0 HB THR A 16 -2.530 13.061 5.698 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.739 13.714 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.070 14.666 3.893 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.731 13.594 3.418 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.367 13.311 2.778 1.00 0.00 H new ATOM 255 N CYS A 17 -0.686 10.555 5.562 1.00 0.00 N ATOM 256 CA CYS A 17 0.099 9.959 6.675 1.00 0.00 C ATOM 257 C CYS A 17 1.398 10.741 6.844 1.00 0.00 C ATOM 258 O CYS A 17 1.564 11.812 6.295 1.00 0.00 O ATOM 259 CB CYS A 17 0.420 8.499 6.352 1.00 0.00 C ATOM 260 SG CYS A 17 -1.068 7.673 5.739 1.00 0.00 S ATOM 0 H CYS A 17 -0.139 10.849 4.753 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.480 10.004 7.597 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.211 8.447 5.604 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.789 7.991 7.243 1.00 0.00 H new ATOM 265 N GLN A 18 2.324 10.218 7.595 1.00 0.00 N ATOM 266 CA GLN A 18 3.608 10.940 7.787 1.00 0.00 C ATOM 267 C GLN A 18 4.619 10.468 6.761 1.00 0.00 C ATOM 268 O GLN A 18 5.367 11.244 6.201 1.00 0.00 O ATOM 269 CB GLN A 18 4.175 10.645 9.162 1.00 0.00 C ATOM 270 CG GLN A 18 5.481 11.425 9.316 1.00 0.00 C ATOM 271 CD GLN A 18 5.224 12.902 8.999 1.00 0.00 C ATOM 272 OE1 GLN A 18 5.026 13.702 9.892 1.00 0.00 O ATOM 273 NE2 GLN A 18 5.218 13.298 7.753 1.00 0.00 N ATOM 0 H GLN A 18 2.247 9.325 8.082 1.00 0.00 H new ATOM 0 HA GLN A 18 3.418 12.008 7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.465 10.935 9.936 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.354 9.576 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.864 11.320 10.331 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.240 11.023 8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.384 12.626 7.004 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.047 14.279 7.530 1.00 0.00 H new ATOM 282 N GLU A 19 4.660 9.195 6.523 1.00 0.00 N ATOM 283 CA GLU A 19 5.649 8.681 5.541 1.00 0.00 C ATOM 284 C GLU A 19 5.270 9.193 4.160 1.00 0.00 C ATOM 285 O GLU A 19 4.159 9.016 3.701 1.00 0.00 O ATOM 286 CB GLU A 19 5.678 7.147 5.510 1.00 0.00 C ATOM 287 CG GLU A 19 4.961 6.561 6.729 1.00 0.00 C ATOM 288 CD GLU A 19 5.486 5.149 6.999 1.00 0.00 C ATOM 289 OE1 GLU A 19 6.652 4.911 6.733 1.00 0.00 O ATOM 290 OE2 GLU A 19 4.713 4.332 7.468 1.00 0.00 O ATOM 0 H GLU A 19 4.061 8.493 6.958 1.00 0.00 H new ATOM 0 HA GLU A 19 6.638 9.031 5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.203 6.789 4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.711 6.799 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.126 7.195 7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.886 6.533 6.553 1.00 0.00 H new ATOM 297 N ASP A 20 6.189 9.818 3.488 1.00 0.00 N ATOM 298 CA ASP A 20 5.877 10.328 2.125 1.00 0.00 C ATOM 299 C ASP A 20 5.884 9.149 1.168 1.00 0.00 C ATOM 300 O ASP A 20 5.531 9.272 0.012 1.00 0.00 O ATOM 301 CB ASP A 20 6.896 11.378 1.652 1.00 0.00 C ATOM 302 CG ASP A 20 7.905 11.699 2.758 1.00 0.00 C ATOM 303 OD1 ASP A 20 7.581 12.511 3.609 1.00 0.00 O ATOM 304 OD2 ASP A 20 8.982 11.127 2.736 1.00 0.00 O ATOM 0 H ASP A 20 7.137 9.998 3.818 1.00 0.00 H new ATOM 0 HA ASP A 20 4.901 10.813 2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.421 11.009 0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.375 12.288 1.355 1.00 0.00 H new ATOM 309 N SER A 21 6.266 7.996 1.642 1.00 0.00 N ATOM 310 CA SER A 21 6.269 6.818 0.760 1.00 0.00 C ATOM 311 C SER A 21 4.854 6.239 0.749 1.00 0.00 C ATOM 312 O SER A 21 4.003 6.657 1.508 1.00 0.00 O ATOM 313 CB SER A 21 7.252 5.773 1.294 1.00 0.00 C ATOM 314 OG SER A 21 8.328 6.431 1.950 1.00 0.00 O ATOM 0 H SER A 21 6.574 7.828 2.600 1.00 0.00 H new ATOM 0 HA SER A 21 6.575 7.097 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.745 5.101 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.630 5.161 0.475 1.00 0.00 H new ATOM 0 HG SER A 21 8.958 5.764 2.294 1.00 0.00 H new ATOM 320 N CYS A 22 4.592 5.272 -0.077 1.00 0.00 N ATOM 321 CA CYS A 22 3.234 4.663 -0.096 1.00 0.00 C ATOM 322 C CYS A 22 3.404 3.168 -0.336 1.00 0.00 C ATOM 323 O CYS A 22 4.101 2.759 -1.244 1.00 0.00 O ATOM 324 CB CYS A 22 2.393 5.279 -1.217 1.00 0.00 C ATOM 325 SG CYS A 22 2.591 7.083 -1.224 1.00 0.00 S ATOM 0 H CYS A 22 5.257 4.875 -0.741 1.00 0.00 H new ATOM 0 HA CYS A 22 2.723 4.846 0.849 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.698 4.868 -2.179 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.343 5.021 -1.079 1.00 0.00 H new ATOM 330 N TYR A 23 2.794 2.337 0.461 1.00 0.00 N ATOM 331 CA TYR A 23 2.971 0.881 0.235 1.00 0.00 C ATOM 332 C TYR A 23 1.727 0.306 -0.419 1.00 0.00 C ATOM 333 O TYR A 23 0.610 0.561 -0.022 1.00 0.00 O ATOM 334 CB TYR A 23 3.279 0.147 1.545 1.00 0.00 C ATOM 335 CG TYR A 23 2.059 0.106 2.435 1.00 0.00 C ATOM 336 CD1 TYR A 23 0.992 -0.747 2.124 1.00 0.00 C ATOM 337 CD2 TYR A 23 2.003 0.908 3.580 1.00 0.00 C ATOM 338 CE1 TYR A 23 -0.130 -0.794 2.959 1.00 0.00 C ATOM 339 CE2 TYR A 23 0.879 0.861 4.413 1.00 0.00 C ATOM 340 CZ TYR A 23 -0.187 0.009 4.103 1.00 0.00 C ATOM 341 OH TYR A 23 -1.294 -0.037 4.925 1.00 0.00 O ATOM 0 H TYR A 23 2.193 2.597 1.243 1.00 0.00 H new ATOM 0 HA TYR A 23 3.823 0.738 -0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.612 -0.868 1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.097 0.647 2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.035 -1.367 1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.827 1.563 3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.953 -1.451 2.720 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.834 1.482 5.295 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.171 0.582 5.675 1.00 0.00 H new ATOM 351 N LYS A 24 1.942 -0.453 -1.440 1.00 0.00 N ATOM 352 CA LYS A 24 0.824 -1.076 -2.201 1.00 0.00 C ATOM 353 C LYS A 24 1.205 -2.516 -2.485 1.00 0.00 C ATOM 354 O LYS A 24 1.510 -2.899 -3.596 1.00 0.00 O ATOM 355 CB LYS A 24 0.658 -0.326 -3.502 1.00 0.00 C ATOM 356 CG LYS A 24 2.042 0.018 -4.011 1.00 0.00 C ATOM 357 CD LYS A 24 2.087 -0.181 -5.513 1.00 0.00 C ATOM 358 CE LYS A 24 2.199 1.182 -6.195 1.00 0.00 C ATOM 359 NZ LYS A 24 3.157 1.095 -7.332 1.00 0.00 N ATOM 0 H LYS A 24 2.871 -0.679 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.109 -1.040 -1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.123 -0.936 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.070 0.579 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.287 1.050 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.787 -0.613 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.937 -0.808 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.189 -0.698 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.221 1.502 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.536 1.932 -5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.232 2.023 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.092 0.809 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.817 0.392 -8.019 1.00 0.00 H new ATOM 373 N ASN A 25 1.231 -3.293 -1.460 1.00 0.00 N ATOM 374 CA ASN A 25 1.643 -4.718 -1.597 1.00 0.00 C ATOM 375 C ASN A 25 0.481 -5.674 -1.301 1.00 0.00 C ATOM 376 O ASN A 25 -0.602 -5.269 -0.942 1.00 0.00 O ATOM 377 CB ASN A 25 2.800 -4.973 -0.633 1.00 0.00 C ATOM 378 CG ASN A 25 2.588 -4.188 0.661 1.00 0.00 C ATOM 379 OD1 ASN A 25 2.705 -2.888 0.648 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 2.314 -4.763 1.696 1.00 0.00 N flip ATOM 0 H ASN A 25 0.982 -3.007 -0.513 1.00 0.00 H new ATOM 0 HA ASN A 25 1.954 -4.905 -2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.873 -6.038 -0.414 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.741 -4.678 -1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.223 -5.779 1.706 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.175 -4.230 2.554 1.00 0.00 H new ATOM 387 N ILE A 26 0.710 -6.951 -1.481 1.00 0.00 N ATOM 388 CA ILE A 26 -0.360 -7.970 -1.253 1.00 0.00 C ATOM 389 C ILE A 26 -0.528 -8.269 0.241 1.00 0.00 C ATOM 390 O ILE A 26 -1.619 -8.497 0.719 1.00 0.00 O ATOM 391 CB ILE A 26 0.044 -9.251 -1.976 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.084 -10.000 -1.138 1.00 0.00 C ATOM 393 CG2 ILE A 26 0.655 -8.890 -3.332 1.00 0.00 C ATOM 394 CD1 ILE A 26 1.744 -11.071 -1.988 1.00 0.00 C ATOM 0 H ILE A 26 1.606 -7.336 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.307 -7.586 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.832 -9.883 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.835 -9.304 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.608 -10.453 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.946 -9.801 -3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.079 -8.348 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.533 -8.263 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.484 -11.604 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.988 -11.773 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.234 -10.606 -2.843 1.00 0.00 H new ATOM 406 N TRP A 27 0.541 -8.298 0.978 1.00 0.00 N ATOM 407 CA TRP A 27 0.416 -8.612 2.428 1.00 0.00 C ATOM 408 C TRP A 27 -0.730 -7.794 3.020 1.00 0.00 C ATOM 409 O TRP A 27 -0.615 -6.603 3.233 1.00 0.00 O ATOM 410 CB TRP A 27 1.717 -8.246 3.130 1.00 0.00 C ATOM 411 CG TRP A 27 2.823 -9.082 2.569 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.547 -8.779 1.467 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.335 -10.357 3.057 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.470 -9.787 1.245 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.379 -10.782 2.200 1.00 0.00 C ATOM 416 CE3 TRP A 27 2.996 -11.177 4.149 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.063 -11.980 2.422 1.00 0.00 C ATOM 418 CZ3 TRP A 27 3.682 -12.383 4.373 1.00 0.00 C ATOM 419 CH2 TRP A 27 4.713 -12.782 3.512 1.00 0.00 C ATOM 0 H TRP A 27 1.489 -8.120 0.646 1.00 0.00 H new ATOM 0 HA TRP A 27 0.214 -9.675 2.563 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.936 -7.188 2.989 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.626 -8.413 4.203 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.425 -7.895 0.859 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.135 -9.794 0.472 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.204 -10.878 4.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.857 -12.284 1.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.413 -13.006 5.213 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.237 -13.709 3.691 1.00 0.00 H new ATOM 430 N THR A 28 -1.841 -8.428 3.276 1.00 0.00 N ATOM 431 CA THR A 28 -3.005 -7.693 3.839 1.00 0.00 C ATOM 432 C THR A 28 -3.933 -8.672 4.562 1.00 0.00 C ATOM 433 O THR A 28 -3.498 -9.659 5.121 1.00 0.00 O ATOM 434 CB THR A 28 -3.764 -7.020 2.694 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.696 -6.088 3.227 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.505 -8.079 1.878 1.00 0.00 C ATOM 0 H THR A 28 -1.992 -9.424 3.119 1.00 0.00 H new ATOM 0 HA THR A 28 -2.658 -6.941 4.548 1.00 0.00 H new ATOM 0 HB THR A 28 -3.058 -6.497 2.048 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.884 -5.396 2.560 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.045 -7.598 1.063 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.788 -8.790 1.468 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.211 -8.605 2.520 1.00 0.00 H new ATOM 444 N PHE A 29 -5.212 -8.403 4.557 1.00 0.00 N ATOM 445 CA PHE A 29 -6.174 -9.309 5.246 1.00 0.00 C ATOM 446 C PHE A 29 -5.855 -10.765 4.905 1.00 0.00 C ATOM 447 O PHE A 29 -5.355 -11.508 5.726 1.00 0.00 O ATOM 448 CB PHE A 29 -7.600 -8.982 4.795 1.00 0.00 C ATOM 449 CG PHE A 29 -8.581 -9.609 5.755 1.00 0.00 C ATOM 450 CD1 PHE A 29 -8.828 -9.002 6.992 1.00 0.00 C ATOM 451 CD2 PHE A 29 -9.243 -10.794 5.411 1.00 0.00 C ATOM 452 CE1 PHE A 29 -9.735 -9.581 7.886 1.00 0.00 C ATOM 453 CE2 PHE A 29 -10.151 -11.374 6.306 1.00 0.00 C ATOM 454 CZ PHE A 29 -10.397 -10.766 7.544 1.00 0.00 C ATOM 0 H PHE A 29 -5.632 -7.592 4.103 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.089 -9.165 6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.745 -7.902 4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.770 -9.357 3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.319 -8.087 7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.053 -11.261 4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.925 -9.113 8.841 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.661 -12.289 6.042 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.098 -11.212 8.235 1.00 0.00 H new ATOM 464 N ASP A 30 -6.148 -11.185 3.705 1.00 0.00 N ATOM 465 CA ASP A 30 -5.865 -12.597 3.326 1.00 0.00 C ATOM 466 C ASP A 30 -5.091 -12.629 2.006 1.00 0.00 C ATOM 467 O ASP A 30 -3.945 -13.029 1.958 1.00 0.00 O ATOM 468 CB ASP A 30 -7.187 -13.352 3.161 1.00 0.00 C ATOM 469 CG ASP A 30 -7.167 -14.610 4.031 1.00 0.00 C ATOM 470 OD1 ASP A 30 -7.194 -14.470 5.243 1.00 0.00 O ATOM 471 OD2 ASP A 30 -7.125 -15.693 3.471 1.00 0.00 O ATOM 0 H ASP A 30 -6.570 -10.613 2.973 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.268 -13.070 4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.022 -12.712 3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.336 -13.622 2.116 1.00 0.00 H new ATOM 476 N ASN A 31 -5.707 -12.212 0.934 1.00 0.00 N ATOM 477 CA ASN A 31 -5.001 -12.222 -0.378 1.00 0.00 C ATOM 478 C ASN A 31 -5.385 -10.979 -1.182 1.00 0.00 C ATOM 479 O ASN A 31 -5.996 -11.071 -2.228 1.00 0.00 O ATOM 480 CB ASN A 31 -5.400 -13.472 -1.164 1.00 0.00 C ATOM 481 CG ASN A 31 -4.480 -14.631 -0.781 1.00 0.00 C ATOM 482 OD1 ASN A 31 -3.281 -14.557 -0.960 1.00 0.00 O ATOM 483 ND2 ASN A 31 -4.996 -15.709 -0.257 1.00 0.00 N ATOM 0 H ASN A 31 -6.666 -11.866 0.910 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.925 -12.224 -0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.437 -13.732 -0.952 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.332 -13.278 -2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.392 -16.489 0.002 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.003 -15.771 -0.107 1.00 0.00 H new ATOM 490 N ILE A 32 -5.031 -9.818 -0.708 1.00 0.00 N ATOM 491 CA ILE A 32 -5.378 -8.580 -1.457 1.00 0.00 C ATOM 492 C ILE A 32 -4.207 -7.612 -1.408 1.00 0.00 C ATOM 493 O ILE A 32 -3.292 -7.760 -0.630 1.00 0.00 O ATOM 494 CB ILE A 32 -6.598 -7.913 -0.823 1.00 0.00 C ATOM 495 CG1 ILE A 32 -7.836 -8.730 -1.134 1.00 0.00 C ATOM 496 CG2 ILE A 32 -6.788 -6.508 -1.392 1.00 0.00 C ATOM 497 CD1 ILE A 32 -8.863 -8.520 -0.019 1.00 0.00 C ATOM 0 H ILE A 32 -4.519 -9.673 0.162 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.601 -8.842 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.443 -7.852 0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.255 -8.428 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.580 -9.786 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.660 -6.044 -0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.904 -5.907 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.936 -6.569 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.758 -9.104 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.439 -8.842 0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.125 -7.464 0.040 1.00 0.00 H new ATOM 509 N ILE A 33 -4.243 -6.611 -2.224 1.00 0.00 N ATOM 510 CA ILE A 33 -3.142 -5.610 -2.215 1.00 0.00 C ATOM 511 C ILE A 33 -3.437 -4.587 -1.119 1.00 0.00 C ATOM 512 O ILE A 33 -4.553 -4.476 -0.665 1.00 0.00 O ATOM 513 CB ILE A 33 -3.089 -4.905 -3.569 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.294 -5.936 -4.675 1.00 0.00 C ATOM 515 CG2 ILE A 33 -1.733 -4.226 -3.745 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.201 -7.003 -4.588 1.00 0.00 C ATOM 0 H ILE A 33 -4.986 -6.436 -2.901 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.185 -6.098 -2.028 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.873 -4.150 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.276 -6.398 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.265 -5.450 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.700 -3.725 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.587 -3.493 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.942 -4.975 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.348 -7.739 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.224 -6.534 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.251 -7.497 -3.618 1.00 0.00 H new ATOM 528 N ARG A 34 -2.483 -3.817 -0.697 1.00 0.00 N ATOM 529 CA ARG A 34 -2.801 -2.809 0.349 1.00 0.00 C ATOM 530 C ARG A 34 -2.080 -1.506 0.068 1.00 0.00 C ATOM 531 O ARG A 34 -0.876 -1.401 0.193 1.00 0.00 O ATOM 532 CB ARG A 34 -2.416 -3.304 1.733 1.00 0.00 C ATOM 533 CG ARG A 34 -3.323 -2.608 2.752 1.00 0.00 C ATOM 534 CD ARG A 34 -3.427 -3.459 4.017 1.00 0.00 C ATOM 535 NE ARG A 34 -2.295 -3.130 4.928 1.00 0.00 N ATOM 536 CZ ARG A 34 -2.519 -2.891 6.192 1.00 0.00 C ATOM 537 NH1 ARG A 34 -3.393 -1.987 6.540 1.00 0.00 N ATOM 538 NH2 ARG A 34 -1.868 -3.556 7.107 1.00 0.00 N ATOM 0 H ARG A 34 -1.516 -3.837 -1.020 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.878 -2.645 0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.531 -4.386 1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.369 -3.082 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.923 -1.624 2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.314 -2.452 2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.377 -3.272 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.405 -4.518 3.759 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.343 -3.091 4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.901 -1.467 5.825 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.568 -1.800 7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.184 -4.262 6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.043 -3.369 8.094 1.00 0.00 H new ATOM 552 N ARG A 35 -2.827 -0.508 -0.287 1.00 0.00 N ATOM 553 CA ARG A 35 -2.229 0.820 -0.567 1.00 0.00 C ATOM 554 C ARG A 35 -2.199 1.618 0.729 1.00 0.00 C ATOM 555 O ARG A 35 -3.220 1.880 1.321 1.00 0.00 O ATOM 556 CB ARG A 35 -3.074 1.561 -1.608 1.00 0.00 C ATOM 557 CG ARG A 35 -3.025 0.806 -2.940 1.00 0.00 C ATOM 558 CD ARG A 35 -4.186 -0.188 -3.019 1.00 0.00 C ATOM 559 NE ARG A 35 -3.988 -1.092 -4.185 1.00 0.00 N ATOM 560 CZ ARG A 35 -4.337 -0.703 -5.380 1.00 0.00 C ATOM 561 NH1 ARG A 35 -5.471 -0.081 -5.554 1.00 0.00 N ATOM 562 NH2 ARG A 35 -3.553 -0.932 -6.398 1.00 0.00 N ATOM 0 H ARG A 35 -3.840 -0.555 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.218 0.698 -0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.105 1.644 -1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.700 2.576 -1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.081 1.511 -3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.076 0.278 -3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.243 -0.770 -2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.131 0.347 -3.117 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.579 -2.017 -4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.081 0.100 -4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.747 0.225 -6.487 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.666 -1.416 -6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.828 -0.627 -7.332 1.00 0.00 H new ATOM 576 N GLY A 36 -1.035 1.992 1.180 1.00 0.00 N ATOM 577 CA GLY A 36 -0.940 2.773 2.445 1.00 0.00 C ATOM 578 C GLY A 36 0.180 3.811 2.321 1.00 0.00 C ATOM 579 O GLY A 36 0.639 4.118 1.238 1.00 0.00 O ATOM 0 H GLY A 36 -0.144 1.790 0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.889 3.269 2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.741 2.105 3.283 1.00 0.00 H new ATOM 583 N CYS A 37 0.621 4.358 3.422 1.00 0.00 N ATOM 584 CA CYS A 37 1.708 5.379 3.369 1.00 0.00 C ATOM 585 C CYS A 37 2.978 4.801 3.998 1.00 0.00 C ATOM 586 O CYS A 37 3.026 4.533 5.183 1.00 0.00 O ATOM 587 CB CYS A 37 1.283 6.627 4.148 1.00 0.00 C ATOM 588 SG CYS A 37 -0.500 6.890 3.966 1.00 0.00 S ATOM 0 H CYS A 37 0.275 4.142 4.357 1.00 0.00 H new ATOM 0 HA CYS A 37 1.900 5.647 2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.537 6.512 5.202 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.827 7.498 3.782 1.00 0.00 H new ATOM 593 N GLY A 38 4.003 4.592 3.218 1.00 0.00 N ATOM 594 CA GLY A 38 5.253 4.019 3.770 1.00 0.00 C ATOM 595 C GLY A 38 5.531 2.721 3.028 1.00 0.00 C ATOM 596 O GLY A 38 4.979 2.473 1.977 1.00 0.00 O ATOM 0 H GLY A 38 4.024 4.796 2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.081 4.716 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.150 3.834 4.839 1.00 0.00 H new ATOM 600 N CYS A 39 6.372 1.890 3.558 1.00 0.00 N ATOM 601 CA CYS A 39 6.661 0.603 2.874 1.00 0.00 C ATOM 602 C CYS A 39 5.998 -0.541 3.639 1.00 0.00 C ATOM 603 O CYS A 39 5.173 -0.333 4.506 1.00 0.00 O ATOM 604 CB CYS A 39 8.171 0.378 2.812 1.00 0.00 C ATOM 605 SG CYS A 39 8.931 1.789 1.976 1.00 0.00 S ATOM 0 H CYS A 39 6.873 2.042 4.433 1.00 0.00 H new ATOM 0 HA CYS A 39 6.264 0.636 1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.579 0.269 3.817 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.394 -0.544 2.276 1.00 0.00 H new ATOM 610 N PHE A 40 6.356 -1.746 3.317 1.00 0.00 N ATOM 611 CA PHE A 40 5.755 -2.922 4.014 1.00 0.00 C ATOM 612 C PHE A 40 6.509 -3.171 5.317 1.00 0.00 C ATOM 613 O PHE A 40 7.428 -2.456 5.664 1.00 0.00 O ATOM 614 CB PHE A 40 5.836 -4.175 3.127 1.00 0.00 C ATOM 615 CG PHE A 40 6.904 -3.982 2.085 1.00 0.00 C ATOM 616 CD1 PHE A 40 6.597 -3.303 0.904 1.00 0.00 C ATOM 617 CD2 PHE A 40 8.199 -4.443 2.317 1.00 0.00 C ATOM 618 CE1 PHE A 40 7.591 -3.085 -0.056 1.00 0.00 C ATOM 619 CE2 PHE A 40 9.197 -4.231 1.356 1.00 0.00 C ATOM 620 CZ PHE A 40 8.892 -3.550 0.169 1.00 0.00 C ATOM 0 H PHE A 40 7.042 -1.974 2.598 1.00 0.00 H new ATOM 0 HA PHE A 40 4.706 -2.711 4.224 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.061 -5.051 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.874 -4.358 2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.592 -2.946 0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.433 -4.962 3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.355 -2.559 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.200 -4.592 1.530 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.661 -3.384 -0.571 1.00 0.00 H new ATOM 630 N THR A 41 6.108 -4.164 6.051 1.00 0.00 N ATOM 631 CA THR A 41 6.783 -4.445 7.353 1.00 0.00 C ATOM 632 C THR A 41 7.943 -5.438 7.201 1.00 0.00 C ATOM 633 O THR A 41 9.017 -5.192 7.714 1.00 0.00 O ATOM 634 CB THR A 41 5.776 -4.995 8.366 1.00 0.00 C ATOM 635 OG1 THR A 41 4.523 -4.348 8.192 1.00 0.00 O ATOM 636 CG2 THR A 41 6.299 -4.734 9.776 1.00 0.00 C ATOM 0 H THR A 41 5.344 -4.796 5.811 1.00 0.00 H new ATOM 0 HA THR A 41 7.192 -3.500 7.710 1.00 0.00 H new ATOM 0 HB THR A 41 5.647 -6.067 8.214 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.879 -4.702 8.840 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.588 -5.122 10.505 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.260 -5.232 9.905 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.423 -3.661 9.925 1.00 0.00 H new ATOM 644 N PRO A 42 7.706 -6.543 6.538 1.00 0.00 N ATOM 645 CA PRO A 42 8.729 -7.576 6.363 1.00 0.00 C ATOM 646 C PRO A 42 9.589 -7.251 5.148 1.00 0.00 C ATOM 647 O PRO A 42 9.844 -8.094 4.312 1.00 0.00 O ATOM 648 CB PRO A 42 7.912 -8.850 6.137 1.00 0.00 C ATOM 649 CG PRO A 42 6.521 -8.393 5.630 1.00 0.00 C ATOM 650 CD PRO A 42 6.423 -6.877 5.896 1.00 0.00 C ATOM 0 HA PRO A 42 9.412 -7.664 7.208 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.397 -9.498 5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.820 -9.422 7.061 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.408 -8.607 4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.726 -8.928 6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.282 -6.318 4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.579 -6.639 6.544 1.00 0.00 H new ATOM 658 N ARG A 43 10.034 -6.031 5.035 1.00 0.00 N ATOM 659 CA ARG A 43 10.871 -5.666 3.863 1.00 0.00 C ATOM 660 C ARG A 43 12.029 -6.646 3.756 1.00 0.00 C ATOM 661 O ARG A 43 12.683 -6.965 4.728 1.00 0.00 O ATOM 662 CB ARG A 43 11.409 -4.240 4.031 1.00 0.00 C ATOM 663 CG ARG A 43 12.674 -4.038 3.187 1.00 0.00 C ATOM 664 CD ARG A 43 13.250 -2.647 3.454 1.00 0.00 C ATOM 665 NE ARG A 43 12.252 -1.611 3.065 1.00 0.00 N ATOM 666 CZ ARG A 43 11.920 -0.672 3.910 1.00 0.00 C ATOM 667 NH1 ARG A 43 11.793 -0.950 5.178 1.00 0.00 N ATOM 668 NH2 ARG A 43 11.717 0.545 3.485 1.00 0.00 N ATOM 0 H ARG A 43 9.855 -5.277 5.699 1.00 0.00 H new ATOM 0 HA ARG A 43 10.269 -5.710 2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.647 -3.520 3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.632 -4.051 5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.412 -4.802 3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.439 -4.149 2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.504 -2.544 4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.172 -2.509 2.889 1.00 0.00 H new ATOM 0 HE ARG A 43 11.828 -1.635 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.953 -1.901 5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.534 -0.216 5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.818 0.762 2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.458 1.279 4.144 1.00 0.00 H new ATOM 682 N GLY A 44 12.287 -7.124 2.576 1.00 0.00 N ATOM 683 CA GLY A 44 13.400 -8.078 2.398 1.00 0.00 C ATOM 684 C GLY A 44 13.377 -8.626 0.969 1.00 0.00 C ATOM 685 O GLY A 44 12.642 -8.152 0.126 1.00 0.00 O ATOM 0 H GLY A 44 11.772 -6.892 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.352 -7.584 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.311 -8.895 3.114 1.00 0.00 H new ATOM 689 N ASP A 45 14.177 -9.616 0.688 1.00 0.00 N ATOM 690 CA ASP A 45 14.198 -10.182 -0.691 1.00 0.00 C ATOM 691 C ASP A 45 13.241 -11.375 -0.783 1.00 0.00 C ATOM 692 O ASP A 45 13.026 -11.922 -1.847 1.00 0.00 O ATOM 693 CB ASP A 45 15.616 -10.641 -1.035 1.00 0.00 C ATOM 694 CG ASP A 45 15.625 -11.264 -2.432 1.00 0.00 C ATOM 695 OD1 ASP A 45 15.818 -10.529 -3.386 1.00 0.00 O ATOM 696 OD2 ASP A 45 15.437 -12.467 -2.524 1.00 0.00 O ATOM 0 H ASP A 45 14.815 -10.057 1.350 1.00 0.00 H new ATOM 0 HA ASP A 45 13.881 -9.413 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.303 -9.795 -0.998 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.964 -11.366 -0.299 1.00 0.00 H new ATOM 701 N MET A 46 12.666 -11.792 0.315 1.00 0.00 N ATOM 702 CA MET A 46 11.736 -12.955 0.258 1.00 0.00 C ATOM 703 C MET A 46 10.405 -12.523 -0.368 1.00 0.00 C ATOM 704 O MET A 46 9.989 -13.080 -1.365 1.00 0.00 O ATOM 705 CB MET A 46 11.503 -13.515 1.663 1.00 0.00 C ATOM 706 CG MET A 46 12.123 -14.911 1.767 1.00 0.00 C ATOM 707 SD MET A 46 12.829 -15.136 3.418 1.00 0.00 S ATOM 708 CE MET A 46 11.378 -15.902 4.181 1.00 0.00 C ATOM 0 H MET A 46 12.799 -11.381 1.239 1.00 0.00 H new ATOM 0 HA MET A 46 12.181 -13.737 -0.357 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.945 -12.853 2.408 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.435 -13.564 1.874 1.00 0.00 H new ATOM 0 HG2 MET A 46 11.366 -15.672 1.577 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.897 -15.034 1.009 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.594 -16.130 5.225 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.533 -15.215 4.127 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.132 -16.823 3.652 1.00 0.00 H new ATOM 718 N PRO A 47 9.777 -11.540 0.225 1.00 0.00 N ATOM 719 CA PRO A 47 8.498 -11.014 -0.267 1.00 0.00 C ATOM 720 C PRO A 47 8.763 -10.019 -1.398 1.00 0.00 C ATOM 721 O PRO A 47 9.873 -9.557 -1.577 1.00 0.00 O ATOM 722 CB PRO A 47 7.907 -10.313 0.960 1.00 0.00 C ATOM 723 CG PRO A 47 9.101 -9.976 1.886 1.00 0.00 C ATOM 724 CD PRO A 47 10.277 -10.864 1.437 1.00 0.00 C ATOM 0 HA PRO A 47 7.829 -11.775 -0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.372 -9.408 0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.191 -10.958 1.469 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.363 -8.921 1.811 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.848 -10.168 2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.166 -10.270 1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.551 -11.582 2.209 1.00 0.00 H new ATOM 732 N GLY A 48 7.766 -9.681 -2.163 1.00 0.00 N ATOM 733 CA GLY A 48 7.988 -8.720 -3.270 1.00 0.00 C ATOM 734 C GLY A 48 6.875 -7.672 -3.291 1.00 0.00 C ATOM 735 O GLY A 48 6.197 -7.515 -4.286 1.00 0.00 O ATOM 0 H GLY A 48 6.811 -10.028 -2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.955 -8.232 -3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.016 -9.251 -4.222 1.00 0.00 H new ATOM 739 N PRO A 49 6.720 -6.976 -2.192 1.00 0.00 N ATOM 740 CA PRO A 49 5.697 -5.928 -2.063 1.00 0.00 C ATOM 741 C PRO A 49 6.209 -4.638 -2.718 1.00 0.00 C ATOM 742 O PRO A 49 7.286 -4.616 -3.282 1.00 0.00 O ATOM 743 CB PRO A 49 5.555 -5.761 -0.552 1.00 0.00 C ATOM 744 CG PRO A 49 6.876 -6.260 0.072 1.00 0.00 C ATOM 745 CD PRO A 49 7.540 -7.168 -0.976 1.00 0.00 C ATOM 0 HA PRO A 49 4.749 -6.168 -2.544 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.374 -4.718 -0.293 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.708 -6.335 -0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.525 -5.422 0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.686 -6.808 0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.579 -6.886 -1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.541 -8.210 -0.657 1.00 0.00 H new ATOM 753 N TYR A 50 5.458 -3.567 -2.671 1.00 0.00 N ATOM 754 CA TYR A 50 5.942 -2.317 -3.320 1.00 0.00 C ATOM 755 C TYR A 50 5.829 -1.106 -2.381 1.00 0.00 C ATOM 756 O TYR A 50 4.954 -1.015 -1.542 1.00 0.00 O ATOM 757 CB TYR A 50 5.120 -2.053 -4.583 1.00 0.00 C ATOM 758 CG TYR A 50 5.969 -2.342 -5.798 1.00 0.00 C ATOM 759 CD1 TYR A 50 6.092 -3.654 -6.273 1.00 0.00 C ATOM 760 CD2 TYR A 50 6.637 -1.298 -6.449 1.00 0.00 C ATOM 761 CE1 TYR A 50 6.882 -3.922 -7.397 1.00 0.00 C ATOM 762 CE2 TYR A 50 7.428 -1.565 -7.573 1.00 0.00 C ATOM 763 CZ TYR A 50 7.550 -2.877 -8.047 1.00 0.00 C ATOM 764 OH TYR A 50 8.329 -3.140 -9.156 1.00 0.00 O ATOM 0 H TYR A 50 4.546 -3.506 -2.219 1.00 0.00 H new ATOM 0 HA TYR A 50 6.994 -2.453 -3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.229 -2.681 -4.589 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.780 -1.018 -4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.577 -4.460 -5.771 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.542 -0.286 -6.084 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.976 -4.934 -7.763 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.944 -0.759 -8.074 1.00 0.00 H new ATOM 0 HH TYR A 50 8.721 -2.305 -9.486 1.00 0.00 H new ATOM 774 N CYS A 51 6.715 -0.165 -2.568 1.00 0.00 N ATOM 775 CA CYS A 51 6.725 1.098 -1.767 1.00 0.00 C ATOM 776 C CYS A 51 6.969 2.223 -2.763 1.00 0.00 C ATOM 777 O CYS A 51 7.744 2.082 -3.688 1.00 0.00 O ATOM 778 CB CYS A 51 7.877 1.073 -0.764 1.00 0.00 C ATOM 779 SG CYS A 51 7.581 2.282 0.552 1.00 0.00 S ATOM 0 H CYS A 51 7.457 -0.220 -3.266 1.00 0.00 H new ATOM 0 HA CYS A 51 5.791 1.223 -1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.976 0.075 -0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.816 1.297 -1.271 1.00 0.00 H new ATOM 784 N CYS A 52 6.329 3.329 -2.599 1.00 0.00 N ATOM 785 CA CYS A 52 6.547 4.444 -3.561 1.00 0.00 C ATOM 786 C CYS A 52 6.721 5.734 -2.798 1.00 0.00 C ATOM 787 O CYS A 52 6.330 5.843 -1.662 1.00 0.00 O ATOM 788 CB CYS A 52 5.347 4.582 -4.494 1.00 0.00 C ATOM 789 SG CYS A 52 5.654 5.891 -5.706 1.00 0.00 S ATOM 0 H CYS A 52 5.666 3.519 -1.848 1.00 0.00 H new ATOM 0 HA CYS A 52 7.438 4.230 -4.151 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.163 3.637 -5.005 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.451 4.812 -3.917 1.00 0.00 H new ATOM 794 N GLU A 53 7.298 6.708 -3.420 1.00 0.00 N ATOM 795 CA GLU A 53 7.499 8.011 -2.734 1.00 0.00 C ATOM 796 C GLU A 53 6.763 9.107 -3.502 1.00 0.00 C ATOM 797 O GLU A 53 7.364 9.999 -4.067 1.00 0.00 O ATOM 798 CB GLU A 53 8.990 8.335 -2.665 1.00 0.00 C ATOM 799 CG GLU A 53 9.773 7.052 -2.378 1.00 0.00 C ATOM 800 CD GLU A 53 10.423 6.550 -3.669 1.00 0.00 C ATOM 801 OE1 GLU A 53 11.361 7.183 -4.121 1.00 0.00 O ATOM 802 OE2 GLU A 53 9.970 5.541 -4.183 1.00 0.00 O ATOM 0 H GLU A 53 7.643 6.664 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 53 7.103 7.953 -1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.322 8.775 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.178 9.072 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.537 7.241 -1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.107 6.290 -1.974 1.00 0.00 H new ATOM 809 N SER A 54 5.464 9.043 -3.514 1.00 0.00 N ATOM 810 CA SER A 54 4.666 10.071 -4.228 1.00 0.00 C ATOM 811 C SER A 54 3.250 10.041 -3.667 1.00 0.00 C ATOM 812 O SER A 54 2.764 9.008 -3.242 1.00 0.00 O ATOM 813 CB SER A 54 4.635 9.760 -5.725 1.00 0.00 C ATOM 814 OG SER A 54 5.421 8.604 -5.980 1.00 0.00 O ATOM 0 H SER A 54 4.916 8.315 -3.055 1.00 0.00 H new ATOM 0 HA SER A 54 5.110 11.057 -4.088 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.609 9.596 -6.053 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.019 10.608 -6.292 1.00 0.00 H new ATOM 0 HG SER A 54 4.902 7.801 -5.763 1.00 0.00 H new ATOM 820 N ASP A 55 2.574 11.150 -3.651 1.00 0.00 N ATOM 821 CA ASP A 55 1.202 11.136 -3.096 1.00 0.00 C ATOM 822 C ASP A 55 0.296 10.345 -4.029 1.00 0.00 C ATOM 823 O ASP A 55 0.385 10.441 -5.238 1.00 0.00 O ATOM 824 CB ASP A 55 0.669 12.558 -2.955 1.00 0.00 C ATOM 825 CG ASP A 55 1.822 13.513 -2.658 1.00 0.00 C ATOM 826 OD1 ASP A 55 2.437 13.984 -3.598 1.00 0.00 O ATOM 827 OD2 ASP A 55 2.070 13.753 -1.488 1.00 0.00 O ATOM 0 H ASP A 55 2.907 12.052 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 55 1.221 10.671 -2.110 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.162 12.859 -3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.068 12.602 -2.153 1.00 0.00 H new ATOM 832 N LYS A 56 -0.570 9.555 -3.473 1.00 0.00 N ATOM 833 CA LYS A 56 -1.485 8.739 -4.318 1.00 0.00 C ATOM 834 C LYS A 56 -0.654 7.882 -5.278 1.00 0.00 C ATOM 835 O LYS A 56 -0.999 7.707 -6.430 1.00 0.00 O ATOM 836 CB LYS A 56 -2.395 9.670 -5.121 1.00 0.00 C ATOM 837 CG LYS A 56 -3.304 8.840 -6.025 1.00 0.00 C ATOM 838 CD LYS A 56 -3.166 9.316 -7.471 1.00 0.00 C ATOM 839 CE LYS A 56 -4.555 9.465 -8.094 1.00 0.00 C ATOM 840 NZ LYS A 56 -5.085 10.826 -7.804 1.00 0.00 N ATOM 0 H LYS A 56 -0.687 9.436 -2.467 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.093 8.092 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.995 10.280 -4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.795 10.354 -5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.040 7.785 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.340 8.932 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.638 10.269 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.573 8.604 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.501 9.306 -9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.228 8.708 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.029 10.928 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.150 10.961 -6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.446 11.541 -8.207 1.00 0.00 H new ATOM 854 N CYS A 57 0.452 7.362 -4.819 1.00 0.00 N ATOM 855 CA CYS A 57 1.311 6.536 -5.714 1.00 0.00 C ATOM 856 C CYS A 57 0.867 5.065 -5.695 1.00 0.00 C ATOM 857 O CYS A 57 1.048 4.351 -6.660 1.00 0.00 O ATOM 858 CB CYS A 57 2.761 6.631 -5.243 1.00 0.00 C ATOM 859 SG CYS A 57 3.866 6.173 -6.599 1.00 0.00 S ATOM 0 H CYS A 57 0.797 7.473 -3.866 1.00 0.00 H new ATOM 0 HA CYS A 57 1.218 6.913 -6.733 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.980 7.645 -4.908 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.922 5.971 -4.390 1.00 0.00 H new ATOM 864 N ASN A 58 0.302 4.597 -4.612 1.00 0.00 N ATOM 865 CA ASN A 58 -0.126 3.169 -4.558 1.00 0.00 C ATOM 866 C ASN A 58 -0.819 2.788 -5.861 1.00 0.00 C ATOM 867 O ASN A 58 -0.829 1.640 -6.257 1.00 0.00 O ATOM 868 CB ASN A 58 -1.114 2.949 -3.413 1.00 0.00 C ATOM 869 CG ASN A 58 -0.860 3.928 -2.272 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.969 5.124 -2.447 1.00 0.00 O ATOM 871 ND2 ASN A 58 -0.504 3.465 -1.111 1.00 0.00 N ATOM 0 H ASN A 58 0.120 5.139 -3.767 1.00 0.00 H new ATOM 0 HA ASN A 58 0.761 2.555 -4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.133 3.070 -3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.027 1.927 -3.045 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.315 4.108 -0.342 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.414 2.459 -0.969 1.00 0.00 H new ATOM 878 N LEU A 59 -1.414 3.735 -6.524 1.00 0.00 N ATOM 879 CA LEU A 59 -2.117 3.410 -7.790 1.00 0.00 C ATOM 880 C LEU A 59 -1.231 3.782 -8.980 1.00 0.00 C ATOM 881 O LEU A 59 -0.261 3.081 -9.212 1.00 0.00 O ATOM 882 CB LEU A 59 -3.430 4.194 -7.858 1.00 0.00 C ATOM 883 CG LEU A 59 -4.599 3.269 -7.510 1.00 0.00 C ATOM 884 CD1 LEU A 59 -4.566 2.040 -8.420 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.486 2.825 -6.047 1.00 0.00 C ATOM 886 OXT LEU A 59 -1.537 4.763 -9.638 1.00 0.00 O ATOM 0 H LEU A 59 -1.444 4.716 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.331 2.342 -7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.400 5.035 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.566 4.609 -8.857 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.538 3.803 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.398 1.381 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.650 2.355 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.626 1.507 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.319 2.167 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.547 2.292 -5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.512 3.700 -5.398 1.00 0.00 H new