USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=12 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 Set 1.1: A 28 THR OG1 : rot 120:sc= 0.00987 USER MOD Set 1.2: A 31 ASN : amide:sc= -0.537 X(o=-0.53,f=-0.058) USER MOD Single : A 1 ARG N :NH3+ -132:sc= 0.865 (180deg=-1.43!) USER MOD Single : A 4 TYR OH : rot 30:sc= -0.0965 USER MOD Single : A 5 ASN : amide:sc= -5.26! C(o=-5.3!,f=-2.4!) USER MOD Single : A 6 HIS : no HD1:sc= -15.5! C(o=-15!,f=-20!) USER MOD Single : A 9 THR OG1 : rot -77:sc= 0.897 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.98! X(o=-2!,f=-1.6) USER MOD Single : A 21 SER OG : rot 170:sc= -0.854 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0374 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -5.2! C(o=-5.2!,f=-1.8!) 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 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -6.13! C(o=-6.1!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.981 13.133 3.990 1.00 0.00 N ATOM 2 CA ARG A 1 2.619 13.099 2.546 1.00 0.00 C ATOM 3 C ARG A 1 1.266 12.404 2.376 1.00 0.00 C ATOM 4 O ARG A 1 0.509 12.273 3.315 1.00 0.00 O ATOM 5 CB ARG A 1 3.684 12.321 1.777 1.00 0.00 C ATOM 6 CG ARG A 1 3.890 12.947 0.397 1.00 0.00 C ATOM 7 CD ARG A 1 4.191 11.839 -0.626 1.00 0.00 C ATOM 8 NE ARG A 1 5.083 12.344 -1.720 1.00 0.00 N ATOM 9 CZ ARG A 1 5.482 13.590 -1.744 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.618 14.558 -1.605 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.747 13.866 -1.906 1.00 0.00 N ATOM 0 H1 ARG A 1 3.286 14.093 4.249 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.154 12.866 4.562 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.756 12.464 4.169 1.00 0.00 H new ATOM 0 HA ARG A 1 2.558 14.117 2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.622 12.326 2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.381 11.279 1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.999 13.500 0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.713 13.661 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.666 10.996 -0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 1 3.258 11.471 -1.053 1.00 0.00 H new ATOM 0 HE ARG A 1 5.384 11.706 -2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 1 3.629 14.344 -1.477 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.932 15.528 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.424 13.111 -2.014 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.059 14.837 -1.925 1.00 0.00 H new ATOM 27 N ILE A 2 0.955 11.951 1.189 1.00 0.00 N ATOM 28 CA ILE A 2 -0.353 11.263 0.986 1.00 0.00 C ATOM 29 C ILE A 2 -0.182 10.024 0.126 1.00 0.00 C ATOM 30 O ILE A 2 0.426 10.060 -0.925 1.00 0.00 O ATOM 31 CB ILE A 2 -1.327 12.174 0.253 1.00 0.00 C ATOM 32 CG1 ILE A 2 -1.128 13.610 0.723 1.00 0.00 C ATOM 33 CG2 ILE A 2 -2.758 11.707 0.531 1.00 0.00 C ATOM 34 CD1 ILE A 2 -2.216 14.508 0.130 1.00 0.00 C ATOM 0 H ILE A 2 1.544 12.027 0.360 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.731 10.999 1.974 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.145 12.131 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.162 13.653 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.144 13.968 0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.461 12.356 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.881 10.682 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.953 11.750 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.067 15.533 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.162 14.475 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.195 14.156 0.455 1.00 0.00 H new ATOM 46 N CYS A 3 -0.770 8.943 0.532 1.00 0.00 N ATOM 47 CA CYS A 3 -0.697 7.724 -0.306 1.00 0.00 C ATOM 48 C CYS A 3 -2.085 7.100 -0.351 1.00 0.00 C ATOM 49 O CYS A 3 -2.961 7.471 0.405 1.00 0.00 O ATOM 50 CB CYS A 3 0.320 6.721 0.249 1.00 0.00 C ATOM 51 SG CYS A 3 1.932 7.522 0.433 1.00 0.00 S ATOM 0 H CYS A 3 -1.295 8.849 1.402 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.365 7.993 -1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.019 6.340 1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.403 5.865 -0.421 1.00 0.00 H new ATOM 56 N TYR A 4 -2.315 6.177 -1.238 1.00 0.00 N ATOM 57 CA TYR A 4 -3.671 5.581 -1.312 1.00 0.00 C ATOM 58 C TYR A 4 -3.819 4.474 -0.270 1.00 0.00 C ATOM 59 O TYR A 4 -2.858 3.844 0.129 1.00 0.00 O ATOM 60 CB TYR A 4 -3.921 5.001 -2.702 1.00 0.00 C ATOM 61 CG TYR A 4 -4.333 6.105 -3.643 1.00 0.00 C ATOM 62 CD1 TYR A 4 -3.611 7.304 -3.677 1.00 0.00 C ATOM 63 CD2 TYR A 4 -5.435 5.928 -4.483 1.00 0.00 C ATOM 64 CE1 TYR A 4 -3.994 8.325 -4.552 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.819 6.948 -5.358 1.00 0.00 C ATOM 66 CZ TYR A 4 -5.099 8.149 -5.395 1.00 0.00 C ATOM 67 OH TYR A 4 -5.479 9.157 -6.259 1.00 0.00 O ATOM 0 H TYR A 4 -1.634 5.815 -1.905 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.401 6.366 -1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -3.019 4.512 -3.071 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.700 4.240 -2.655 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.759 7.440 -3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.991 5.002 -4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.437 9.250 -4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.672 6.810 -6.006 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.691 9.676 -6.523 1.00 0.00 H new ATOM 77 N ASN A 5 -5.030 4.244 0.162 1.00 0.00 N ATOM 78 CA ASN A 5 -5.308 3.189 1.172 1.00 0.00 C ATOM 79 C ASN A 5 -6.191 2.096 0.533 1.00 0.00 C ATOM 80 O ASN A 5 -7.007 1.479 1.184 1.00 0.00 O ATOM 81 CB ASN A 5 -6.029 3.832 2.364 1.00 0.00 C ATOM 82 CG ASN A 5 -6.526 2.752 3.321 1.00 0.00 C ATOM 83 OD1 ASN A 5 -7.439 2.976 4.091 1.00 0.00 O ATOM 84 ND2 ASN A 5 -5.961 1.581 3.307 1.00 0.00 N ATOM 0 H ASN A 5 -5.854 4.756 -0.152 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.380 2.732 1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.352 4.508 2.886 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.869 4.431 2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.284 0.851 3.942 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.195 1.392 2.661 1.00 0.00 H new ATOM 91 N HIS A 6 -6.052 1.861 -0.744 1.00 0.00 N ATOM 92 CA HIS A 6 -6.903 0.822 -1.397 1.00 0.00 C ATOM 93 C HIS A 6 -6.557 -0.568 -0.844 1.00 0.00 C ATOM 94 O HIS A 6 -5.425 -1.007 -0.894 1.00 0.00 O ATOM 95 CB HIS A 6 -6.709 0.874 -2.927 1.00 0.00 C ATOM 96 CG HIS A 6 -6.135 -0.418 -3.466 1.00 0.00 C ATOM 97 ND1 HIS A 6 -4.828 -0.812 -3.221 1.00 0.00 N ATOM 98 CD2 HIS A 6 -6.690 -1.417 -4.228 1.00 0.00 C ATOM 99 CE1 HIS A 6 -4.643 -2.001 -3.824 1.00 0.00 C ATOM 100 NE2 HIS A 6 -5.747 -2.416 -4.452 1.00 0.00 N ATOM 0 H HIS A 6 -5.393 2.338 -1.359 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.951 1.022 -1.176 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.666 1.075 -3.408 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.045 1.700 -3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.705 -1.426 -4.598 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.715 -2.553 -3.803 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -5.872 -3.279 -4.981 1.00 0.00 H new ATOM 108 N LEU A 7 -7.533 -1.263 -0.336 1.00 0.00 N ATOM 109 CA LEU A 7 -7.282 -2.634 0.199 1.00 0.00 C ATOM 110 C LEU A 7 -7.860 -3.660 -0.774 1.00 0.00 C ATOM 111 O LEU A 7 -8.991 -4.079 -0.631 1.00 0.00 O ATOM 112 CB LEU A 7 -7.955 -2.786 1.562 1.00 0.00 C ATOM 113 CG LEU A 7 -6.903 -2.628 2.657 1.00 0.00 C ATOM 114 CD1 LEU A 7 -6.106 -1.346 2.411 1.00 0.00 C ATOM 115 CD2 LEU A 7 -7.595 -2.546 4.017 1.00 0.00 C ATOM 0 H LEU A 7 -8.499 -0.942 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.210 -2.794 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.738 -2.037 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.434 -3.762 1.638 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.229 -3.484 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.354 -1.230 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.615 -1.403 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.780 -0.490 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.846 -2.433 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.267 -1.688 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.166 -3.458 4.190 1.00 0.00 H new ATOM 127 N GLY A 8 -7.100 -4.063 -1.762 1.00 0.00 N ATOM 128 CA GLY A 8 -7.621 -5.057 -2.754 1.00 0.00 C ATOM 129 C GLY A 8 -9.091 -4.773 -3.041 1.00 0.00 C ATOM 130 O GLY A 8 -9.863 -5.662 -3.339 1.00 0.00 O ATOM 0 H GLY A 8 -6.144 -3.748 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.043 -5.002 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.505 -6.069 -2.365 1.00 0.00 H new ATOM 134 N THR A 9 -9.484 -3.536 -2.949 1.00 0.00 N ATOM 135 CA THR A 9 -10.901 -3.190 -3.210 1.00 0.00 C ATOM 136 C THR A 9 -10.987 -2.364 -4.487 1.00 0.00 C ATOM 137 O THR A 9 -10.376 -1.318 -4.598 1.00 0.00 O ATOM 138 CB THR A 9 -11.455 -2.378 -2.037 1.00 0.00 C ATOM 139 OG1 THR A 9 -10.377 -1.914 -1.235 1.00 0.00 O ATOM 140 CG2 THR A 9 -12.379 -3.261 -1.197 1.00 0.00 C ATOM 0 H THR A 9 -8.882 -2.750 -2.704 1.00 0.00 H new ATOM 0 HA THR A 9 -11.486 -4.103 -3.323 1.00 0.00 H new ATOM 0 HB THR A 9 -12.018 -1.525 -2.416 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.042 -2.649 -0.681 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.774 -2.683 -0.361 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.204 -3.616 -1.815 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.819 -4.114 -0.815 1.00 0.00 H new ATOM 148 N LYS A 10 -11.735 -2.834 -5.448 1.00 0.00 N ATOM 149 CA LYS A 10 -11.872 -2.089 -6.738 1.00 0.00 C ATOM 150 C LYS A 10 -11.862 -0.580 -6.467 1.00 0.00 C ATOM 151 O LYS A 10 -11.046 0.131 -7.012 1.00 0.00 O ATOM 152 CB LYS A 10 -13.177 -2.489 -7.435 1.00 0.00 C ATOM 153 CG LYS A 10 -12.856 -3.351 -8.658 1.00 0.00 C ATOM 154 CD LYS A 10 -13.292 -2.622 -9.930 1.00 0.00 C ATOM 155 CE LYS A 10 -12.931 -3.470 -11.150 1.00 0.00 C ATOM 156 NZ LYS A 10 -13.183 -2.689 -12.394 1.00 0.00 N ATOM 0 H LYS A 10 -12.261 -3.706 -5.397 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.034 -2.340 -7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.816 -3.040 -6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.728 -1.599 -7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.787 -3.562 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.368 -4.310 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.366 -2.437 -9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.803 -1.650 -9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.884 -3.768 -11.101 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.523 -4.385 -11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.937 -3.267 -13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.188 -2.426 -12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.600 -1.828 -12.387 1.00 0.00 H new ATOM 170 N PRO A 11 -12.743 -0.151 -5.601 1.00 0.00 N ATOM 171 CA PRO A 11 -12.842 1.262 -5.187 1.00 0.00 C ATOM 172 C PRO A 11 -11.753 1.545 -4.144 1.00 0.00 C ATOM 173 O PRO A 11 -11.833 1.064 -3.032 1.00 0.00 O ATOM 174 CB PRO A 11 -14.233 1.350 -4.554 1.00 0.00 C ATOM 175 CG PRO A 11 -14.605 -0.089 -4.125 1.00 0.00 C ATOM 176 CD PRO A 11 -13.727 -1.038 -4.962 1.00 0.00 C ATOM 0 HA PRO A 11 -12.710 1.977 -5.999 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.228 2.023 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.960 1.744 -5.264 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.426 -0.234 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.663 -0.284 -4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.241 -1.786 -4.336 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.317 -1.577 -5.703 1.00 0.00 H new ATOM 184 N PRO A 12 -10.749 2.281 -4.541 1.00 0.00 N ATOM 185 CA PRO A 12 -9.609 2.598 -3.666 1.00 0.00 C ATOM 186 C PRO A 12 -9.910 3.798 -2.768 1.00 0.00 C ATOM 187 O PRO A 12 -10.563 4.741 -3.170 1.00 0.00 O ATOM 188 CB PRO A 12 -8.501 2.963 -4.657 1.00 0.00 C ATOM 189 CG PRO A 12 -9.210 3.415 -5.955 1.00 0.00 C ATOM 190 CD PRO A 12 -10.648 2.866 -5.893 1.00 0.00 C ATOM 0 HA PRO A 12 -9.356 1.774 -2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.872 3.760 -4.260 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.852 2.108 -4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.215 4.502 -6.034 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.688 3.034 -6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.384 3.656 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.823 2.118 -6.666 1.00 0.00 H new ATOM 198 N THR A 13 -9.400 3.789 -1.567 1.00 0.00 N ATOM 199 CA THR A 13 -9.616 4.949 -0.661 1.00 0.00 C ATOM 200 C THR A 13 -8.243 5.493 -0.300 1.00 0.00 C ATOM 201 O THR A 13 -7.346 4.740 0.006 1.00 0.00 O ATOM 202 CB THR A 13 -10.361 4.523 0.614 1.00 0.00 C ATOM 203 OG1 THR A 13 -9.620 4.926 1.757 1.00 0.00 O ATOM 204 CG2 THR A 13 -10.547 3.002 0.640 1.00 0.00 C ATOM 0 H THR A 13 -8.844 3.029 -1.176 1.00 0.00 H new ATOM 0 HA THR A 13 -10.225 5.705 -1.156 1.00 0.00 H new ATOM 0 HB THR A 13 -11.341 5.001 0.623 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.097 4.655 2.569 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.076 2.716 1.549 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.126 2.691 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.572 2.516 0.620 1.00 0.00 H new ATOM 212 N THR A 14 -8.049 6.777 -0.353 1.00 0.00 N ATOM 213 CA THR A 14 -6.700 7.308 -0.028 1.00 0.00 C ATOM 214 C THR A 14 -6.593 7.652 1.446 1.00 0.00 C ATOM 215 O THR A 14 -7.561 7.669 2.180 1.00 0.00 O ATOM 216 CB THR A 14 -6.399 8.553 -0.856 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.433 9.510 -0.674 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.302 8.169 -2.326 1.00 0.00 C ATOM 0 H THR A 14 -8.752 7.472 -0.603 1.00 0.00 H new ATOM 0 HA THR A 14 -5.974 6.530 -0.266 1.00 0.00 H new ATOM 0 HB THR A 14 -5.453 8.987 -0.532 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.236 10.309 -1.206 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.087 9.057 -2.921 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.502 7.440 -2.460 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.247 7.734 -2.652 1.00 0.00 H new ATOM 226 N GLU A 15 -5.401 7.935 1.867 1.00 0.00 N ATOM 227 CA GLU A 15 -5.157 8.298 3.285 1.00 0.00 C ATOM 228 C GLU A 15 -3.968 9.254 3.324 1.00 0.00 C ATOM 229 O GLU A 15 -3.277 9.432 2.340 1.00 0.00 O ATOM 230 CB GLU A 15 -4.834 7.041 4.098 1.00 0.00 C ATOM 231 CG GLU A 15 -6.128 6.301 4.453 1.00 0.00 C ATOM 232 CD GLU A 15 -7.115 7.274 5.101 1.00 0.00 C ATOM 233 OE1 GLU A 15 -6.853 7.701 6.214 1.00 0.00 O ATOM 234 OE2 GLU A 15 -8.118 7.577 4.474 1.00 0.00 O ATOM 0 H GLU A 15 -4.568 7.931 1.279 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.042 8.769 3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.176 6.387 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.300 7.314 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.567 5.865 3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.913 5.478 5.134 1.00 0.00 H new ATOM 241 N THR A 16 -3.718 9.875 4.435 1.00 0.00 N ATOM 242 CA THR A 16 -2.570 10.815 4.499 1.00 0.00 C ATOM 243 C THR A 16 -1.651 10.425 5.656 1.00 0.00 C ATOM 244 O THR A 16 -2.104 10.061 6.723 1.00 0.00 O ATOM 245 CB THR A 16 -3.092 12.237 4.718 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.495 12.264 4.488 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.397 13.192 3.751 1.00 0.00 C ATOM 0 H THR A 16 -4.253 9.775 5.297 1.00 0.00 H new ATOM 0 HA THR A 16 -2.011 10.770 3.564 1.00 0.00 H new ATOM 0 HB THR A 16 -2.884 12.547 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.832 13.173 4.629 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.770 14.204 3.908 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.322 13.170 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.603 12.885 2.726 1.00 0.00 H new ATOM 255 N CYS A 17 -0.365 10.501 5.456 1.00 0.00 N ATOM 256 CA CYS A 17 0.578 10.134 6.549 1.00 0.00 C ATOM 257 C CYS A 17 1.756 11.107 6.557 1.00 0.00 C ATOM 258 O CYS A 17 1.753 12.117 5.880 1.00 0.00 O ATOM 259 CB CYS A 17 1.082 8.691 6.332 1.00 0.00 C ATOM 260 SG CYS A 17 2.627 8.674 5.367 1.00 0.00 S ATOM 0 H CYS A 17 0.073 10.801 4.585 1.00 0.00 H new ATOM 0 HA CYS A 17 0.065 10.191 7.509 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.247 8.211 7.297 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.319 8.110 5.813 1.00 0.00 H new ATOM 265 N GLN A 18 2.780 10.783 7.291 1.00 0.00 N ATOM 266 CA GLN A 18 3.981 11.654 7.317 1.00 0.00 C ATOM 267 C GLN A 18 4.978 11.119 6.311 1.00 0.00 C ATOM 268 O GLN A 18 5.661 11.855 5.628 1.00 0.00 O ATOM 269 CB GLN A 18 4.639 11.615 8.683 1.00 0.00 C ATOM 270 CG GLN A 18 5.882 12.504 8.639 1.00 0.00 C ATOM 271 CD GLN A 18 5.491 13.902 8.142 1.00 0.00 C ATOM 272 OE1 GLN A 18 5.321 14.814 8.926 1.00 0.00 O ATOM 273 NE2 GLN A 18 5.343 14.108 6.857 1.00 0.00 N ATOM 0 H GLN A 18 2.836 9.949 7.876 1.00 0.00 H new ATOM 0 HA GLN A 18 3.682 12.676 7.086 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.947 11.966 9.449 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.912 10.593 8.945 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.330 12.571 9.630 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.632 12.068 7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.486 13.343 6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.085 15.034 6.515 1.00 0.00 H new ATOM 282 N GLU A 19 5.074 9.830 6.237 1.00 0.00 N ATOM 283 CA GLU A 19 6.042 9.218 5.296 1.00 0.00 C ATOM 284 C GLU A 19 5.629 9.552 3.871 1.00 0.00 C ATOM 285 O GLU A 19 4.478 9.443 3.499 1.00 0.00 O ATOM 286 CB GLU A 19 6.051 7.698 5.457 1.00 0.00 C ATOM 287 CG GLU A 19 5.750 7.327 6.911 1.00 0.00 C ATOM 288 CD GLU A 19 6.539 6.073 7.293 1.00 0.00 C ATOM 289 OE1 GLU A 19 6.766 5.252 6.420 1.00 0.00 O ATOM 290 OE2 GLU A 19 6.903 5.957 8.451 1.00 0.00 O ATOM 0 H GLU A 19 4.524 9.171 6.788 1.00 0.00 H new ATOM 0 HA GLU A 19 7.037 9.610 5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.309 7.249 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.022 7.298 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.017 8.153 7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.682 7.150 7.038 1.00 0.00 H new ATOM 297 N ASP A 20 6.570 9.940 3.066 1.00 0.00 N ATOM 298 CA ASP A 20 6.239 10.264 1.652 1.00 0.00 C ATOM 299 C ASP A 20 6.274 8.971 0.853 1.00 0.00 C ATOM 300 O ASP A 20 6.043 8.960 -0.338 1.00 0.00 O ATOM 301 CB ASP A 20 7.233 11.274 1.050 1.00 0.00 C ATOM 302 CG ASP A 20 8.273 11.703 2.090 1.00 0.00 C ATOM 303 OD1 ASP A 20 8.870 10.829 2.697 1.00 0.00 O ATOM 304 OD2 ASP A 20 8.453 12.897 2.260 1.00 0.00 O ATOM 0 H ASP A 20 7.552 10.048 3.321 1.00 0.00 H new ATOM 0 HA ASP A 20 5.250 10.721 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.734 10.829 0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.694 12.149 0.687 1.00 0.00 H new ATOM 309 N SER A 21 6.538 7.873 1.510 1.00 0.00 N ATOM 310 CA SER A 21 6.571 6.576 0.805 1.00 0.00 C ATOM 311 C SER A 21 5.138 6.083 0.657 1.00 0.00 C ATOM 312 O SER A 21 4.267 6.448 1.422 1.00 0.00 O ATOM 313 CB SER A 21 7.353 5.562 1.645 1.00 0.00 C ATOM 314 OG SER A 21 7.731 6.166 2.875 1.00 0.00 O ATOM 0 H SER A 21 6.732 7.827 2.510 1.00 0.00 H new ATOM 0 HA SER A 21 7.046 6.689 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.742 4.679 1.832 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.238 5.228 1.103 1.00 0.00 H new ATOM 0 HG SER A 21 8.087 5.482 3.480 1.00 0.00 H new ATOM 320 N CYS A 22 4.887 5.229 -0.280 1.00 0.00 N ATOM 321 CA CYS A 22 3.522 4.676 -0.437 1.00 0.00 C ATOM 322 C CYS A 22 3.732 3.210 -0.762 1.00 0.00 C ATOM 323 O CYS A 22 4.444 2.876 -1.686 1.00 0.00 O ATOM 324 CB CYS A 22 2.775 5.388 -1.564 1.00 0.00 C ATOM 325 SG CYS A 22 2.869 7.181 -1.326 1.00 0.00 S ATOM 0 H CYS A 22 5.573 4.885 -0.952 1.00 0.00 H new ATOM 0 HA CYS A 22 2.917 4.811 0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.207 5.117 -2.527 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.733 5.068 -1.581 1.00 0.00 H new ATOM 330 N TYR A 23 3.191 2.326 0.014 1.00 0.00 N ATOM 331 CA TYR A 23 3.467 0.897 -0.252 1.00 0.00 C ATOM 332 C TYR A 23 2.307 0.212 -0.915 1.00 0.00 C ATOM 333 O TYR A 23 1.169 0.535 -0.698 1.00 0.00 O ATOM 334 CB TYR A 23 3.752 0.155 1.059 1.00 0.00 C ATOM 335 CG TYR A 23 2.506 0.127 1.935 1.00 0.00 C ATOM 336 CD1 TYR A 23 1.401 -0.654 1.565 1.00 0.00 C ATOM 337 CD2 TYR A 23 2.458 0.874 3.121 1.00 0.00 C ATOM 338 CE1 TYR A 23 0.257 -0.686 2.371 1.00 0.00 C ATOM 339 CE2 TYR A 23 1.313 0.840 3.926 1.00 0.00 C ATOM 340 CZ TYR A 23 0.213 0.062 3.551 1.00 0.00 C ATOM 341 OH TYR A 23 -0.914 0.031 4.346 1.00 0.00 O ATOM 0 H TYR A 23 2.581 2.524 0.807 1.00 0.00 H new ATOM 0 HA TYR A 23 4.331 0.868 -0.915 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.077 -0.863 0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.568 0.644 1.591 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.433 -1.233 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.305 1.476 3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.591 -1.288 2.081 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.279 1.416 4.839 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.778 0.606 5.128 1.00 0.00 H new ATOM 351 N LYS A 24 2.627 -0.773 -1.684 1.00 0.00 N ATOM 352 CA LYS A 24 1.577 -1.605 -2.353 1.00 0.00 C ATOM 353 C LYS A 24 2.025 -3.069 -2.333 1.00 0.00 C ATOM 354 O LYS A 24 2.845 -3.486 -3.127 1.00 0.00 O ATOM 355 CB LYS A 24 1.371 -1.168 -3.785 1.00 0.00 C ATOM 356 CG LYS A 24 -0.077 -0.768 -3.964 1.00 0.00 C ATOM 357 CD LYS A 24 -0.503 -1.063 -5.401 1.00 0.00 C ATOM 358 CE LYS A 24 0.525 -0.475 -6.369 1.00 0.00 C ATOM 359 NZ LYS A 24 0.226 -0.941 -7.754 1.00 0.00 N ATOM 0 H LYS A 24 3.586 -1.052 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 24 0.636 -1.483 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.027 -0.331 -4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.627 -1.978 -4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.708 -1.317 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.204 0.292 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.587 -2.139 -5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.487 -0.636 -5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.499 0.614 -6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.530 -0.782 -6.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.924 -0.542 -8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.272 -1.979 -7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.727 -0.627 -8.028 1.00 0.00 H new ATOM 373 N ASN A 25 1.522 -3.846 -1.411 1.00 0.00 N ATOM 374 CA ASN A 25 1.959 -5.272 -1.327 1.00 0.00 C ATOM 375 C ASN A 25 0.794 -6.211 -1.644 1.00 0.00 C ATOM 376 O ASN A 25 -0.334 -5.792 -1.812 1.00 0.00 O ATOM 377 CB ASN A 25 2.497 -5.586 0.084 1.00 0.00 C ATOM 378 CG ASN A 25 2.430 -4.347 0.989 1.00 0.00 C ATOM 379 OD1 ASN A 25 1.984 -4.435 2.116 1.00 0.00 O ATOM 380 ND2 ASN A 25 2.856 -3.193 0.550 1.00 0.00 N ATOM 0 H ASN A 25 0.832 -3.559 -0.717 1.00 0.00 H new ATOM 0 HA ASN A 25 2.752 -5.426 -2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.916 -6.395 0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.528 -5.934 0.015 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.813 -2.371 1.152 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.231 -3.114 -0.395 1.00 0.00 H new ATOM 387 N ILE A 26 1.071 -7.486 -1.727 1.00 0.00 N ATOM 388 CA ILE A 26 -0.003 -8.472 -2.035 1.00 0.00 C ATOM 389 C ILE A 26 0.024 -9.604 -1.003 1.00 0.00 C ATOM 390 O ILE A 26 -0.819 -10.479 -1.007 1.00 0.00 O ATOM 391 CB ILE A 26 0.219 -9.051 -3.433 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.467 -9.944 -3.432 1.00 0.00 C ATOM 393 CG2 ILE A 26 0.403 -7.913 -4.438 1.00 0.00 C ATOM 394 CD1 ILE A 26 2.732 -9.078 -3.407 1.00 0.00 C ATOM 0 H ILE A 26 1.999 -7.887 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.971 -7.973 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.649 -9.646 -3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.451 -10.604 -2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.470 -10.580 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.561 -8.329 -5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.488 -7.285 -4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.267 -7.313 -4.154 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.613 -9.720 -3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.751 -8.437 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.733 -8.461 -2.509 1.00 0.00 H new ATOM 406 N TRP A 27 0.985 -9.594 -0.118 1.00 0.00 N ATOM 407 CA TRP A 27 1.063 -10.670 0.912 1.00 0.00 C ATOM 408 C TRP A 27 0.037 -10.400 2.006 1.00 0.00 C ATOM 409 O TRP A 27 0.041 -9.358 2.630 1.00 0.00 O ATOM 410 CB TRP A 27 2.456 -10.688 1.534 1.00 0.00 C ATOM 411 CG TRP A 27 3.477 -10.428 0.475 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.933 -9.206 0.123 1.00 0.00 C ATOM 413 CD2 TRP A 27 4.174 -11.387 -0.371 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.862 -9.352 -0.890 1.00 0.00 N ATOM 415 CE2 TRP A 27 5.047 -10.678 -1.229 1.00 0.00 C ATOM 416 CE3 TRP A 27 4.133 -12.789 -0.477 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.851 -11.335 -2.159 1.00 0.00 C ATOM 418 CZ3 TRP A 27 4.943 -13.455 -1.412 1.00 0.00 C ATOM 419 CH2 TRP A 27 5.799 -12.729 -2.252 1.00 0.00 C ATOM 0 H TRP A 27 1.719 -8.888 -0.064 1.00 0.00 H new ATOM 0 HA TRP A 27 0.860 -11.631 0.440 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.527 -9.932 2.316 1.00 0.00 H new ATOM 0 HB3 TRP A 27 2.643 -11.653 2.006 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.623 -8.269 0.561 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.352 -8.575 -1.333 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.475 -13.357 0.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.509 -10.771 -2.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.906 -14.532 -1.484 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.418 -13.246 -2.970 1.00 0.00 H new ATOM 430 N THR A 28 -0.843 -11.327 2.244 1.00 0.00 N ATOM 431 CA THR A 28 -1.865 -11.113 3.300 1.00 0.00 C ATOM 432 C THR A 28 -2.424 -12.462 3.753 1.00 0.00 C ATOM 433 O THR A 28 -2.035 -13.503 3.263 1.00 0.00 O ATOM 434 CB THR A 28 -2.986 -10.243 2.732 1.00 0.00 C ATOM 435 OG1 THR A 28 -3.768 -9.722 3.798 1.00 0.00 O ATOM 436 CG2 THR A 28 -3.870 -11.084 1.811 1.00 0.00 C ATOM 0 H THR A 28 -0.899 -12.220 1.755 1.00 0.00 H new ATOM 0 HA THR A 28 -1.416 -10.614 4.159 1.00 0.00 H new ATOM 0 HB THR A 28 -2.554 -9.419 2.164 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.738 -8.743 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.669 -10.463 1.407 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.269 -11.481 0.993 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.303 -11.909 2.376 1.00 0.00 H new ATOM 444 N PHE A 29 -3.341 -12.451 4.680 1.00 0.00 N ATOM 445 CA PHE A 29 -3.929 -13.732 5.157 1.00 0.00 C ATOM 446 C PHE A 29 -5.404 -13.797 4.751 1.00 0.00 C ATOM 447 O PHE A 29 -5.986 -14.858 4.657 1.00 0.00 O ATOM 448 CB PHE A 29 -3.808 -13.809 6.679 1.00 0.00 C ATOM 449 CG PHE A 29 -2.373 -14.100 7.049 1.00 0.00 C ATOM 450 CD1 PHE A 29 -1.852 -15.386 6.871 1.00 0.00 C ATOM 451 CD2 PHE A 29 -1.563 -13.082 7.568 1.00 0.00 C ATOM 452 CE1 PHE A 29 -0.522 -15.656 7.212 1.00 0.00 C ATOM 453 CE2 PHE A 29 -0.233 -13.352 7.909 1.00 0.00 C ATOM 454 CZ PHE A 29 0.287 -14.639 7.732 1.00 0.00 C ATOM 0 H PHE A 29 -3.708 -11.611 5.127 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.395 -14.570 4.710 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.129 -12.870 7.129 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.462 -14.589 7.069 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.476 -16.171 6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.965 -12.089 7.705 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.120 -16.649 7.074 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.392 -12.567 8.309 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.313 -14.848 7.997 1.00 0.00 H new ATOM 464 N ASP A 30 -6.013 -12.666 4.510 1.00 0.00 N ATOM 465 CA ASP A 30 -7.449 -12.666 4.110 1.00 0.00 C ATOM 466 C ASP A 30 -7.660 -11.709 2.932 1.00 0.00 C ATOM 467 O ASP A 30 -8.465 -11.960 2.057 1.00 0.00 O ATOM 468 CB ASP A 30 -8.314 -12.215 5.292 1.00 0.00 C ATOM 469 CG ASP A 30 -7.522 -11.250 6.176 1.00 0.00 C ATOM 470 OD1 ASP A 30 -6.548 -11.685 6.770 1.00 0.00 O ATOM 471 OD2 ASP A 30 -7.903 -10.093 6.246 1.00 0.00 O ATOM 0 H ASP A 30 -5.579 -11.745 4.573 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.736 -13.675 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.219 -11.729 4.927 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.630 -13.081 5.875 1.00 0.00 H new ATOM 476 N ASN A 31 -6.954 -10.612 2.907 1.00 0.00 N ATOM 477 CA ASN A 31 -7.127 -9.639 1.788 1.00 0.00 C ATOM 478 C ASN A 31 -6.184 -9.997 0.632 1.00 0.00 C ATOM 479 O ASN A 31 -5.954 -11.156 0.344 1.00 0.00 O ATOM 480 CB ASN A 31 -6.810 -8.229 2.294 1.00 0.00 C ATOM 481 CG ASN A 31 -7.376 -8.049 3.703 1.00 0.00 C ATOM 482 OD1 ASN A 31 -8.540 -7.739 3.868 1.00 0.00 O ATOM 483 ND2 ASN A 31 -6.597 -8.227 4.735 1.00 0.00 N ATOM 0 H ASN A 31 -6.266 -10.346 3.611 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.156 -9.678 1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.732 -8.068 2.301 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.238 -7.486 1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.965 -8.106 5.679 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.620 -8.487 4.598 1.00 0.00 H new ATOM 490 N ILE A 32 -5.642 -9.011 -0.039 1.00 0.00 N ATOM 491 CA ILE A 32 -4.716 -9.288 -1.178 1.00 0.00 C ATOM 492 C ILE A 32 -3.856 -8.047 -1.443 1.00 0.00 C ATOM 493 O ILE A 32 -2.752 -7.933 -0.953 1.00 0.00 O ATOM 494 CB ILE A 32 -5.497 -9.642 -2.455 1.00 0.00 C ATOM 495 CG1 ILE A 32 -7.007 -9.685 -2.185 1.00 0.00 C ATOM 496 CG2 ILE A 32 -5.043 -11.011 -2.957 1.00 0.00 C ATOM 497 CD1 ILE A 32 -7.502 -8.300 -1.765 1.00 0.00 C ATOM 0 H ILE A 32 -5.802 -8.022 0.155 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.087 -10.137 -0.911 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.299 -8.875 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.536 -10.013 -3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.224 -10.411 -1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.593 -11.267 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.976 -10.982 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.235 -11.762 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.575 -8.339 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.984 -7.988 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.300 -7.584 -2.562 1.00 0.00 H new ATOM 509 N ILE A 33 -4.356 -7.110 -2.208 1.00 0.00 N ATOM 510 CA ILE A 33 -3.560 -5.875 -2.494 1.00 0.00 C ATOM 511 C ILE A 33 -3.728 -4.907 -1.336 1.00 0.00 C ATOM 512 O ILE A 33 -4.817 -4.717 -0.831 1.00 0.00 O ATOM 513 CB ILE A 33 -4.052 -5.168 -3.765 1.00 0.00 C ATOM 514 CG1 ILE A 33 -4.851 -6.131 -4.633 1.00 0.00 C ATOM 515 CG2 ILE A 33 -2.856 -4.642 -4.560 1.00 0.00 C ATOM 516 CD1 ILE A 33 -3.981 -7.325 -5.013 1.00 0.00 C ATOM 0 H ILE A 33 -5.277 -7.145 -2.646 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.519 -6.170 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.694 -4.336 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.736 -6.471 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.199 -5.622 -5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.210 -4.141 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.295 -3.935 -3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.209 -5.474 -4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.556 -8.012 -5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.109 -6.978 -5.568 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.655 -7.840 -4.109 1.00 0.00 H new ATOM 528 N ARG A 34 -2.677 -4.271 -0.923 1.00 0.00 N ATOM 529 CA ARG A 34 -2.823 -3.300 0.185 1.00 0.00 C ATOM 530 C ARG A 34 -1.849 -2.158 0.003 1.00 0.00 C ATOM 531 O ARG A 34 -0.662 -2.284 0.229 1.00 0.00 O ATOM 532 CB ARG A 34 -2.572 -3.952 1.527 1.00 0.00 C ATOM 533 CG ARG A 34 -3.150 -3.043 2.606 1.00 0.00 C ATOM 534 CD ARG A 34 -3.247 -3.804 3.919 1.00 0.00 C ATOM 535 NE ARG A 34 -2.074 -3.470 4.774 1.00 0.00 N ATOM 536 CZ ARG A 34 -1.953 -4.008 5.957 1.00 0.00 C ATOM 537 NH1 ARG A 34 -2.968 -4.621 6.503 1.00 0.00 N ATOM 538 NH2 ARG A 34 -0.818 -3.929 6.596 1.00 0.00 N ATOM 0 H ARG A 34 -1.735 -4.378 -1.298 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.847 -2.927 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.040 -4.936 1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.504 -4.100 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.519 -2.163 2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.136 -2.688 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.172 -3.545 4.434 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.278 -4.877 3.729 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.365 -2.820 4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.856 -4.680 6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.873 -5.041 7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.026 -3.447 6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.723 -4.349 7.521 1.00 0.00 H new ATOM 552 N ARG A 35 -2.350 -1.049 -0.402 1.00 0.00 N ATOM 553 CA ARG A 35 -1.474 0.120 -0.605 1.00 0.00 C ATOM 554 C ARG A 35 -1.739 1.173 0.473 1.00 0.00 C ATOM 555 O ARG A 35 -2.858 1.580 0.701 1.00 0.00 O ATOM 556 CB ARG A 35 -1.711 0.692 -2.003 1.00 0.00 C ATOM 557 CG ARG A 35 -2.932 1.606 -1.995 1.00 0.00 C ATOM 558 CD ARG A 35 -3.296 2.033 -3.426 1.00 0.00 C ATOM 559 NE ARG A 35 -3.095 0.897 -4.374 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.972 0.658 -5.314 1.00 0.00 C ATOM 561 NH1 ARG A 35 -4.827 1.580 -5.665 1.00 0.00 N ATOM 562 NH2 ARG A 35 -3.985 -0.502 -5.913 1.00 0.00 N ATOM 0 H ARG A 35 -3.338 -0.894 -0.605 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.431 -0.185 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.833 1.248 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.859 -0.119 -2.716 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.776 1.090 -1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.729 2.488 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.334 2.365 -3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.680 2.880 -3.728 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.269 0.304 -4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.812 2.491 -5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.510 1.390 -6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.312 -1.221 -5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.669 -0.690 -6.646 1.00 0.00 H new ATOM 576 N GLY A 36 -0.703 1.605 1.142 1.00 0.00 N ATOM 577 CA GLY A 36 -0.869 2.624 2.216 1.00 0.00 C ATOM 578 C GLY A 36 0.226 3.683 2.102 1.00 0.00 C ATOM 579 O GLY A 36 0.738 3.958 1.035 1.00 0.00 O ATOM 0 H GLY A 36 0.256 1.293 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.850 3.093 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.823 2.145 3.194 1.00 0.00 H new ATOM 583 N CYS A 37 0.576 4.284 3.201 1.00 0.00 N ATOM 584 CA CYS A 37 1.626 5.337 3.192 1.00 0.00 C ATOM 585 C CYS A 37 2.875 4.809 3.911 1.00 0.00 C ATOM 586 O CYS A 37 2.804 4.347 5.031 1.00 0.00 O ATOM 587 CB CYS A 37 1.079 6.561 3.920 1.00 0.00 C ATOM 588 SG CYS A 37 2.094 8.003 3.545 1.00 0.00 S ATOM 0 H CYS A 37 0.174 4.088 4.118 1.00 0.00 H new ATOM 0 HA CYS A 37 1.895 5.605 2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.047 6.743 3.619 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.070 6.382 4.995 1.00 0.00 H new ATOM 593 N GLY A 38 4.013 4.846 3.267 1.00 0.00 N ATOM 594 CA GLY A 38 5.246 4.315 3.902 1.00 0.00 C ATOM 595 C GLY A 38 5.376 2.860 3.478 1.00 0.00 C ATOM 596 O GLY A 38 4.807 2.453 2.489 1.00 0.00 O ATOM 0 H GLY A 38 4.137 5.223 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.119 4.887 3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.186 4.396 4.987 1.00 0.00 H new ATOM 600 N CYS A 39 6.096 2.071 4.212 1.00 0.00 N ATOM 601 CA CYS A 39 6.217 0.631 3.842 1.00 0.00 C ATOM 602 C CYS A 39 5.585 -0.222 4.932 1.00 0.00 C ATOM 603 O CYS A 39 5.407 0.212 6.053 1.00 0.00 O ATOM 604 CB CYS A 39 7.681 0.231 3.689 1.00 0.00 C ATOM 605 SG CYS A 39 8.386 1.077 2.265 1.00 0.00 S ATOM 0 H CYS A 39 6.606 2.353 5.049 1.00 0.00 H new ATOM 0 HA CYS A 39 5.707 0.474 2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.236 0.489 4.591 1.00 0.00 H new ATOM 0 HB3 CYS A 39 7.763 -0.848 3.562 1.00 0.00 H new ATOM 610 N PHE A 40 5.248 -1.438 4.616 1.00 0.00 N ATOM 611 CA PHE A 40 4.632 -2.322 5.643 1.00 0.00 C ATOM 612 C PHE A 40 5.648 -2.605 6.759 1.00 0.00 C ATOM 613 O PHE A 40 6.802 -2.231 6.677 1.00 0.00 O ATOM 614 CB PHE A 40 4.172 -3.638 5.000 1.00 0.00 C ATOM 615 CG PHE A 40 5.257 -4.233 4.125 1.00 0.00 C ATOM 616 CD1 PHE A 40 6.554 -3.699 4.119 1.00 0.00 C ATOM 617 CD2 PHE A 40 4.955 -5.334 3.315 1.00 0.00 C ATOM 618 CE1 PHE A 40 7.540 -4.265 3.310 1.00 0.00 C ATOM 619 CE2 PHE A 40 5.944 -5.900 2.505 1.00 0.00 C ATOM 620 CZ PHE A 40 7.238 -5.367 2.504 1.00 0.00 C ATOM 0 H PHE A 40 5.371 -1.858 3.695 1.00 0.00 H new ATOM 0 HA PHE A 40 3.764 -1.821 6.071 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.899 -4.350 5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.277 -3.460 4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.790 -2.849 4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.957 -5.747 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.538 -3.851 3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.709 -6.749 1.880 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.003 -5.807 1.881 1.00 0.00 H new ATOM 630 N THR A 41 5.218 -3.222 7.827 1.00 0.00 N ATOM 631 CA THR A 41 6.150 -3.485 8.965 1.00 0.00 C ATOM 632 C THR A 41 7.090 -4.675 8.697 1.00 0.00 C ATOM 633 O THR A 41 8.267 -4.591 8.981 1.00 0.00 O ATOM 634 CB THR A 41 5.341 -3.764 10.233 1.00 0.00 C ATOM 635 OG1 THR A 41 4.189 -2.935 10.252 1.00 0.00 O ATOM 636 CG2 THR A 41 6.208 -3.467 11.457 1.00 0.00 C ATOM 0 H THR A 41 4.263 -3.555 7.962 1.00 0.00 H new ATOM 0 HA THR A 41 6.769 -2.596 9.087 1.00 0.00 H new ATOM 0 HB THR A 41 5.032 -4.809 10.249 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.670 -3.115 11.063 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.637 -3.664 12.364 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.092 -4.104 11.440 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.514 -2.421 11.441 1.00 0.00 H new ATOM 644 N PRO A 42 6.548 -5.758 8.204 1.00 0.00 N ATOM 645 CA PRO A 42 7.324 -6.982 7.950 1.00 0.00 C ATOM 646 C PRO A 42 8.074 -6.902 6.619 1.00 0.00 C ATOM 647 O PRO A 42 8.062 -7.830 5.834 1.00 0.00 O ATOM 648 CB PRO A 42 6.257 -8.078 7.918 1.00 0.00 C ATOM 649 CG PRO A 42 4.914 -7.376 7.593 1.00 0.00 C ATOM 650 CD PRO A 42 5.125 -5.871 7.848 1.00 0.00 C ATOM 0 HA PRO A 42 8.093 -7.158 8.702 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.495 -8.829 7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.203 -8.595 8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.625 -7.556 6.558 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.112 -7.766 8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.888 -5.281 6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.484 -5.510 8.652 1.00 0.00 H new ATOM 658 N ARG A 43 8.735 -5.809 6.361 1.00 0.00 N ATOM 659 CA ARG A 43 9.490 -5.692 5.082 1.00 0.00 C ATOM 660 C ARG A 43 10.600 -6.732 5.037 1.00 0.00 C ATOM 661 O ARG A 43 10.929 -7.353 6.029 1.00 0.00 O ATOM 662 CB ARG A 43 10.117 -4.304 4.972 1.00 0.00 C ATOM 663 CG ARG A 43 11.052 -4.072 6.161 1.00 0.00 C ATOM 664 CD ARG A 43 11.684 -2.684 6.053 1.00 0.00 C ATOM 665 NE ARG A 43 11.782 -2.078 7.411 1.00 0.00 N ATOM 666 CZ ARG A 43 11.902 -0.785 7.541 1.00 0.00 C ATOM 667 NH1 ARG A 43 10.994 0.008 7.042 1.00 0.00 N ATOM 668 NH2 ARG A 43 12.930 -0.285 8.171 1.00 0.00 N ATOM 0 H ARG A 43 8.786 -4.996 6.975 1.00 0.00 H new ATOM 0 HA ARG A 43 8.798 -5.853 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.671 -4.216 4.037 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.338 -3.542 4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.497 -4.158 7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.829 -4.836 6.180 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.674 -2.757 5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.084 -2.049 5.402 1.00 0.00 H new ATOM 0 HE ARG A 43 11.755 -2.674 8.239 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.190 -0.383 6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.088 1.019 7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.640 -0.905 8.562 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.024 0.726 8.273 1.00 0.00 H new ATOM 682 N GLY A 44 11.185 -6.922 3.890 1.00 0.00 N ATOM 683 CA GLY A 44 12.275 -7.913 3.775 1.00 0.00 C ATOM 684 C GLY A 44 12.527 -8.234 2.299 1.00 0.00 C ATOM 685 O GLY A 44 12.191 -7.467 1.420 1.00 0.00 O ATOM 0 H GLY A 44 10.951 -6.430 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.184 -7.523 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.011 -8.822 4.315 1.00 0.00 H new ATOM 689 N ASP A 45 13.121 -9.363 2.022 1.00 0.00 N ATOM 690 CA ASP A 45 13.400 -9.737 0.606 1.00 0.00 C ATOM 691 C ASP A 45 12.249 -10.585 0.061 1.00 0.00 C ATOM 692 O ASP A 45 11.919 -10.526 -1.106 1.00 0.00 O ATOM 693 CB ASP A 45 14.696 -10.547 0.541 1.00 0.00 C ATOM 694 CG ASP A 45 15.132 -10.702 -0.918 1.00 0.00 C ATOM 695 OD1 ASP A 45 14.459 -10.159 -1.778 1.00 0.00 O ATOM 696 OD2 ASP A 45 16.130 -11.365 -1.151 1.00 0.00 O ATOM 0 H ASP A 45 13.426 -10.044 2.717 1.00 0.00 H new ATOM 0 HA ASP A 45 13.500 -8.832 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.478 -10.048 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.547 -11.528 0.993 1.00 0.00 H new ATOM 701 N MET A 46 11.640 -11.380 0.896 1.00 0.00 N ATOM 702 CA MET A 46 10.517 -12.239 0.425 1.00 0.00 C ATOM 703 C MET A 46 9.470 -11.390 -0.303 1.00 0.00 C ATOM 704 O MET A 46 9.075 -11.710 -1.406 1.00 0.00 O ATOM 705 CB MET A 46 9.867 -12.935 1.623 1.00 0.00 C ATOM 706 CG MET A 46 9.802 -14.442 1.369 1.00 0.00 C ATOM 707 SD MET A 46 10.170 -15.326 2.906 1.00 0.00 S ATOM 708 CE MET A 46 10.632 -16.907 2.154 1.00 0.00 C ATOM 0 H MET A 46 11.871 -11.472 1.885 1.00 0.00 H new ATOM 0 HA MET A 46 10.909 -12.986 -0.265 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.440 -12.733 2.528 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.864 -12.540 1.786 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.812 -14.718 1.005 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.516 -14.723 0.595 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.902 -17.617 2.936 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.790 -17.299 1.584 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.483 -16.759 1.489 1.00 0.00 H new ATOM 718 N PRO A 47 9.042 -10.337 0.343 1.00 0.00 N ATOM 719 CA PRO A 47 8.026 -9.426 -0.205 1.00 0.00 C ATOM 720 C PRO A 47 8.642 -8.440 -1.196 1.00 0.00 C ATOM 721 O PRO A 47 9.806 -8.099 -1.122 1.00 0.00 O ATOM 722 CB PRO A 47 7.497 -8.696 1.030 1.00 0.00 C ATOM 723 CG PRO A 47 8.599 -8.806 2.111 1.00 0.00 C ATOM 724 CD PRO A 47 9.527 -9.958 1.682 1.00 0.00 C ATOM 0 HA PRO A 47 7.247 -9.950 -0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.281 -7.652 0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.567 -9.145 1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.155 -7.872 2.194 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.162 -9.005 3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 47 10.569 -9.639 1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.469 -10.795 2.378 1.00 0.00 H new ATOM 732 N GLY A 48 7.848 -7.976 -2.115 1.00 0.00 N ATOM 733 CA GLY A 48 8.327 -7.001 -3.122 1.00 0.00 C ATOM 734 C GLY A 48 7.157 -6.085 -3.484 1.00 0.00 C ATOM 735 O GLY A 48 6.686 -6.090 -4.603 1.00 0.00 O ATOM 0 H GLY A 48 6.867 -8.238 -2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.158 -6.419 -2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.695 -7.518 -4.008 1.00 0.00 H new ATOM 739 N PRO A 49 6.711 -5.339 -2.504 1.00 0.00 N ATOM 740 CA PRO A 49 5.576 -4.411 -2.654 1.00 0.00 C ATOM 741 C PRO A 49 5.970 -3.185 -3.464 1.00 0.00 C ATOM 742 O PRO A 49 7.014 -3.139 -4.084 1.00 0.00 O ATOM 743 CB PRO A 49 5.242 -4.008 -1.216 1.00 0.00 C ATOM 744 CG PRO A 49 6.514 -4.272 -0.388 1.00 0.00 C ATOM 745 CD PRO A 49 7.313 -5.344 -1.153 1.00 0.00 C ATOM 0 HA PRO A 49 4.737 -4.866 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.954 -2.958 -1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.402 -4.588 -0.834 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.099 -3.360 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.261 -4.617 0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.375 -5.102 -1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.225 -6.322 -0.680 1.00 0.00 H new ATOM 753 N TYR A 50 5.137 -2.187 -3.454 1.00 0.00 N ATOM 754 CA TYR A 50 5.452 -0.956 -4.209 1.00 0.00 C ATOM 755 C TYR A 50 5.598 0.216 -3.239 1.00 0.00 C ATOM 756 O TYR A 50 4.696 1.009 -3.064 1.00 0.00 O ATOM 757 CB TYR A 50 4.336 -0.664 -5.213 1.00 0.00 C ATOM 758 CG TYR A 50 4.935 -0.535 -6.595 1.00 0.00 C ATOM 759 CD1 TYR A 50 5.643 -1.608 -7.152 1.00 0.00 C ATOM 760 CD2 TYR A 50 4.788 0.657 -7.315 1.00 0.00 C ATOM 761 CE1 TYR A 50 6.202 -1.489 -8.430 1.00 0.00 C ATOM 762 CE2 TYR A 50 5.348 0.775 -8.593 1.00 0.00 C ATOM 763 CZ TYR A 50 6.055 -0.297 -9.150 1.00 0.00 C ATOM 764 OH TYR A 50 6.607 -0.179 -10.409 1.00 0.00 O ATOM 0 H TYR A 50 4.249 -2.174 -2.952 1.00 0.00 H new ATOM 0 HA TYR A 50 6.388 -1.094 -4.749 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.597 -1.465 -5.197 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.817 0.255 -4.941 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.757 -2.527 -6.596 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.243 1.485 -6.885 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.747 -2.316 -8.861 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.234 1.694 -9.149 1.00 0.00 H new ATOM 0 HH TYR A 50 6.412 0.711 -10.770 1.00 0.00 H new ATOM 774 N CYS A 51 6.745 0.334 -2.626 1.00 0.00 N ATOM 775 CA CYS A 51 6.996 1.465 -1.689 1.00 0.00 C ATOM 776 C CYS A 51 7.496 2.637 -2.527 1.00 0.00 C ATOM 777 O CYS A 51 8.592 2.601 -3.050 1.00 0.00 O ATOM 778 CB CYS A 51 8.099 1.086 -0.717 1.00 0.00 C ATOM 779 SG CYS A 51 7.388 0.262 0.717 1.00 0.00 S ATOM 0 H CYS A 51 7.526 -0.312 -2.736 1.00 0.00 H new ATOM 0 HA CYS A 51 6.088 1.711 -1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.818 0.429 -1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.643 1.977 -0.404 1.00 0.00 H new ATOM 784 N CYS A 52 6.728 3.666 -2.678 1.00 0.00 N ATOM 785 CA CYS A 52 7.213 4.810 -3.509 1.00 0.00 C ATOM 786 C CYS A 52 7.174 6.089 -2.696 1.00 0.00 C ATOM 787 O CYS A 52 6.213 6.369 -2.008 1.00 0.00 O ATOM 788 CB CYS A 52 6.339 5.015 -4.754 1.00 0.00 C ATOM 789 SG CYS A 52 5.314 3.562 -5.075 1.00 0.00 S ATOM 0 H CYS A 52 5.798 3.774 -2.273 1.00 0.00 H new ATOM 0 HA CYS A 52 8.231 4.575 -3.820 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.703 5.889 -4.616 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.973 5.215 -5.618 1.00 0.00 H new ATOM 794 N GLU A 53 8.195 6.890 -2.797 1.00 0.00 N ATOM 795 CA GLU A 53 8.193 8.168 -2.050 1.00 0.00 C ATOM 796 C GLU A 53 7.478 9.226 -2.893 1.00 0.00 C ATOM 797 O GLU A 53 7.917 10.354 -3.004 1.00 0.00 O ATOM 798 CB GLU A 53 9.628 8.608 -1.758 1.00 0.00 C ATOM 799 CG GLU A 53 10.518 7.377 -1.578 1.00 0.00 C ATOM 800 CD GLU A 53 11.923 7.817 -1.164 1.00 0.00 C ATOM 801 OE1 GLU A 53 12.675 8.228 -2.033 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.226 7.737 0.016 1.00 0.00 O ATOM 0 H GLU A 53 9.025 6.713 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 53 7.674 8.041 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.003 9.224 -2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.654 9.222 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.095 6.717 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.563 6.809 -2.507 1.00 0.00 H new ATOM 809 N SER A 54 6.372 8.860 -3.487 1.00 0.00 N ATOM 810 CA SER A 54 5.608 9.819 -4.324 1.00 0.00 C ATOM 811 C SER A 54 4.133 9.734 -3.932 1.00 0.00 C ATOM 812 O SER A 54 3.658 8.709 -3.479 1.00 0.00 O ATOM 813 CB SER A 54 5.770 9.453 -5.799 1.00 0.00 C ATOM 814 OG SER A 54 6.629 8.324 -5.910 1.00 0.00 O ATOM 0 H SER A 54 5.965 7.927 -3.424 1.00 0.00 H new ATOM 0 HA SER A 54 5.979 10.832 -4.168 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.798 9.230 -6.239 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.185 10.296 -6.352 1.00 0.00 H new ATOM 0 HG SER A 54 6.734 8.085 -6.854 1.00 0.00 H new ATOM 820 N ASP A 55 3.404 10.795 -4.090 1.00 0.00 N ATOM 821 CA ASP A 55 1.972 10.758 -3.701 1.00 0.00 C ATOM 822 C ASP A 55 1.194 9.855 -4.656 1.00 0.00 C ATOM 823 O ASP A 55 1.604 9.604 -5.772 1.00 0.00 O ATOM 824 CB ASP A 55 1.395 12.172 -3.747 1.00 0.00 C ATOM 825 CG ASP A 55 2.293 13.116 -2.948 1.00 0.00 C ATOM 826 OD1 ASP A 55 2.099 13.209 -1.748 1.00 0.00 O ATOM 827 OD2 ASP A 55 3.160 13.729 -3.549 1.00 0.00 O ATOM 0 H ASP A 55 3.733 11.683 -4.469 1.00 0.00 H new ATOM 0 HA ASP A 55 1.886 10.362 -2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.320 12.512 -4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.386 12.178 -3.335 1.00 0.00 H new ATOM 832 N LYS A 56 0.070 9.370 -4.211 1.00 0.00 N ATOM 833 CA LYS A 56 -0.776 8.482 -5.061 1.00 0.00 C ATOM 834 C LYS A 56 0.081 7.505 -5.879 1.00 0.00 C ATOM 835 O LYS A 56 -0.343 7.032 -6.915 1.00 0.00 O ATOM 836 CB LYS A 56 -1.608 9.344 -6.015 1.00 0.00 C ATOM 837 CG LYS A 56 -0.700 9.933 -7.096 1.00 0.00 C ATOM 838 CD LYS A 56 -1.543 10.722 -8.100 1.00 0.00 C ATOM 839 CE LYS A 56 -0.704 11.017 -9.347 1.00 0.00 C ATOM 840 NZ LYS A 56 -0.424 12.479 -9.426 1.00 0.00 N ATOM 0 H LYS A 56 -0.306 9.553 -3.281 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.425 7.900 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.394 8.743 -6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.100 10.145 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.047 10.584 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.160 9.135 -7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.432 10.153 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.887 11.654 -7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.231 10.459 -9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.235 10.689 -10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.146 12.678 -10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.321 13.002 -9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.099 12.779 -8.579 1.00 0.00 H new ATOM 854 N CYS A 57 1.269 7.181 -5.437 1.00 0.00 N ATOM 855 CA CYS A 57 2.099 6.220 -6.225 1.00 0.00 C ATOM 856 C CYS A 57 1.308 4.923 -6.435 1.00 0.00 C ATOM 857 O CYS A 57 1.329 4.326 -7.493 1.00 0.00 O ATOM 858 CB CYS A 57 3.422 5.926 -5.472 1.00 0.00 C ATOM 859 SG CYS A 57 3.437 4.240 -4.771 1.00 0.00 S ATOM 0 H CYS A 57 1.695 7.533 -4.580 1.00 0.00 H new ATOM 0 HA CYS A 57 2.340 6.654 -7.195 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.264 6.044 -6.154 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.555 6.654 -4.672 1.00 0.00 H new ATOM 864 N ASN A 58 0.644 4.467 -5.408 1.00 0.00 N ATOM 865 CA ASN A 58 -0.111 3.194 -5.502 1.00 0.00 C ATOM 866 C ASN A 58 -1.490 3.411 -6.138 1.00 0.00 C ATOM 867 O ASN A 58 -2.424 2.685 -5.864 1.00 0.00 O ATOM 868 CB ASN A 58 -0.269 2.599 -4.096 1.00 0.00 C ATOM 869 CG ASN A 58 -0.585 3.704 -3.079 1.00 0.00 C ATOM 870 OD1 ASN A 58 -1.030 4.771 -3.451 1.00 0.00 O ATOM 871 ND2 ASN A 58 -0.345 3.506 -1.803 1.00 0.00 N ATOM 0 H ASN A 58 0.594 4.930 -4.500 1.00 0.00 H new ATOM 0 HA ASN A 58 0.444 2.505 -6.138 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.067 1.857 -4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.646 2.082 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.532 4.247 -1.128 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.029 2.611 -1.487 1.00 0.00 H new ATOM 878 N LEU A 59 -1.629 4.382 -7.001 1.00 0.00 N ATOM 879 CA LEU A 59 -2.950 4.601 -7.654 1.00 0.00 C ATOM 880 C LEU A 59 -2.824 4.311 -9.151 1.00 0.00 C ATOM 881 O LEU A 59 -1.949 4.888 -9.775 1.00 0.00 O ATOM 882 CB LEU A 59 -3.403 6.050 -7.449 1.00 0.00 C ATOM 883 CG LEU A 59 -4.842 6.214 -7.953 1.00 0.00 C ATOM 884 CD1 LEU A 59 -4.856 6.210 -9.483 1.00 0.00 C ATOM 885 CD2 LEU A 59 -5.702 5.060 -7.431 1.00 0.00 C ATOM 886 OXT LEU A 59 -3.603 3.514 -9.646 1.00 0.00 O ATOM 0 H LEU A 59 -0.890 5.028 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.688 3.933 -7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.344 6.314 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.739 6.729 -7.985 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.245 7.160 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.880 6.327 -9.838 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.247 7.034 -9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.451 5.266 -9.848 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.725 5.177 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.298 4.114 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.697 5.066 -6.341 1.00 0.00 H new TER 898 LEU A 59