USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 451 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 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 THR OG1 : rot -116:sc= 0.814 USER MOD Set 2.1: A 31 GLN : amide:sc= -0.294 K(o=-1.4,f=-6.1!) USER MOD Set 2.2: A 33 TYR OH : rot 52:sc= -1.13! USER MOD Set 3.1: A 2 SER OG : rot 133:sc= 1.24 USER MOD Set 3.2: A 51 HIS : no HD1:sc= -3.23! C(o=-2!,f=-7.3!) USER MOD Single : A 1 ASP N :NH3+ -177:sc= 0.945 (180deg=0.858) USER MOD Single : A 4 MET CE :methyl -151:sc= -0.445 (180deg=-2.14!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 TYR OH : rot -158:sc= 0.555 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 160:sc= -1.24! USER MOD Single : A 34 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.67) USER MOD Single : A 35 ASN : amide:sc= -7.26! C(o=-7.3!,f=-18!) USER MOD Single : A 38 MET CE :methyl -132:sc= -0.0535 (180deg=-0.684) USER MOD Single : A 41 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=-0.24) USER MOD Single : A 43 ASN : amide:sc= -3.74! C(o=-3.7!,f=-7.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.224 -27.238 1.242 1.00 0.00 N ATOM 2 CA ASP A 1 1.956 -26.437 2.264 1.00 0.00 C ATOM 3 C ASP A 1 3.422 -26.872 2.304 1.00 0.00 C ATOM 4 O ASP A 1 3.851 -27.714 1.540 1.00 0.00 O ATOM 5 CB ASP A 1 1.325 -26.663 3.639 1.00 0.00 C ATOM 6 CG ASP A 1 1.162 -28.164 3.883 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.495 -28.929 2.992 1.00 0.00 O ATOM 8 OD2 ASP A 1 0.707 -28.525 4.956 1.00 0.00 O ATOM 0 H1 ASP A 1 0.240 -26.906 1.180 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.686 -27.126 0.317 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.234 -28.242 1.515 1.00 0.00 H new ATOM 0 HA ASP A 1 1.896 -25.380 2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.951 -26.223 4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.356 -26.167 3.692 1.00 0.00 H new ATOM 15 N SER A 2 4.191 -26.306 3.191 1.00 0.00 N ATOM 16 CA SER A 2 5.629 -26.686 3.286 1.00 0.00 C ATOM 17 C SER A 2 5.750 -28.209 3.320 1.00 0.00 C ATOM 18 O SER A 2 6.698 -28.779 2.815 1.00 0.00 O ATOM 19 CB SER A 2 6.225 -26.100 4.564 1.00 0.00 C ATOM 20 OG SER A 2 6.623 -24.757 4.331 1.00 0.00 O ATOM 0 H SER A 2 3.886 -25.595 3.856 1.00 0.00 H new ATOM 0 HA SER A 2 6.167 -26.297 2.422 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.492 -26.138 5.370 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.081 -26.694 4.883 1.00 0.00 H new ATOM 0 HG SER A 2 6.296 -24.188 5.059 1.00 0.00 H new ATOM 26 N GLU A 3 4.793 -28.872 3.907 1.00 0.00 N ATOM 27 CA GLU A 3 4.848 -30.359 3.968 1.00 0.00 C ATOM 28 C GLU A 3 5.131 -30.892 2.569 1.00 0.00 C ATOM 29 O GLU A 3 5.750 -31.922 2.394 1.00 0.00 O ATOM 30 CB GLU A 3 3.505 -30.902 4.459 1.00 0.00 C ATOM 31 CG GLU A 3 3.530 -31.022 5.983 1.00 0.00 C ATOM 32 CD GLU A 3 2.199 -31.597 6.469 1.00 0.00 C ATOM 33 OE1 GLU A 3 1.486 -32.158 5.653 1.00 0.00 O ATOM 34 OE2 GLU A 3 1.914 -31.467 7.648 1.00 0.00 O ATOM 0 H GLU A 3 3.976 -28.449 4.347 1.00 0.00 H new ATOM 0 HA GLU A 3 5.633 -30.675 4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.697 -30.239 4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.308 -31.876 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.352 -31.666 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.702 -30.044 6.433 1.00 0.00 H new ATOM 41 N MET A 4 4.684 -30.186 1.570 1.00 0.00 N ATOM 42 CA MET A 4 4.927 -30.635 0.173 1.00 0.00 C ATOM 43 C MET A 4 6.378 -30.333 -0.196 1.00 0.00 C ATOM 44 O MET A 4 6.983 -31.017 -0.998 1.00 0.00 O ATOM 45 CB MET A 4 3.989 -29.886 -0.775 1.00 0.00 C ATOM 46 CG MET A 4 2.540 -30.074 -0.314 1.00 0.00 C ATOM 47 SD MET A 4 2.079 -31.817 -0.464 1.00 0.00 S ATOM 48 CE MET A 4 2.360 -31.977 -2.244 1.00 0.00 C ATOM 0 H MET A 4 4.160 -29.316 1.661 1.00 0.00 H new ATOM 0 HA MET A 4 4.739 -31.705 0.089 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.242 -28.826 -0.792 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.109 -30.258 -1.792 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.431 -29.746 0.720 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.873 -29.457 -0.916 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.695 -32.739 -2.650 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.159 -31.023 -2.731 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.396 -32.265 -2.424 1.00 0.00 H new ATOM 58 N CYS A 5 6.944 -29.315 0.392 1.00 0.00 N ATOM 59 CA CYS A 5 8.360 -28.966 0.088 1.00 0.00 C ATOM 60 C CYS A 5 9.290 -29.890 0.879 1.00 0.00 C ATOM 61 O CYS A 5 10.495 -29.846 0.732 1.00 0.00 O ATOM 62 CB CYS A 5 8.627 -27.515 0.492 1.00 0.00 C ATOM 63 SG CYS A 5 7.186 -26.503 0.101 1.00 0.00 S ATOM 0 H CYS A 5 6.485 -28.708 1.072 1.00 0.00 H new ATOM 0 HA CYS A 5 8.543 -29.086 -0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.845 -27.458 1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.504 -27.136 -0.033 1.00 0.00 H new ATOM 68 N LYS A 6 8.740 -30.718 1.725 1.00 0.00 N ATOM 69 CA LYS A 6 9.594 -31.636 2.532 1.00 0.00 C ATOM 70 C LYS A 6 10.378 -32.570 1.610 1.00 0.00 C ATOM 71 O LYS A 6 11.455 -33.023 1.946 1.00 0.00 O ATOM 72 CB LYS A 6 8.709 -32.468 3.461 1.00 0.00 C ATOM 73 CG LYS A 6 8.208 -31.584 4.604 1.00 0.00 C ATOM 74 CD LYS A 6 7.634 -32.464 5.715 1.00 0.00 C ATOM 75 CE LYS A 6 6.972 -31.579 6.772 1.00 0.00 C ATOM 76 NZ LYS A 6 7.864 -31.476 7.962 1.00 0.00 N ATOM 0 H LYS A 6 7.737 -30.799 1.892 1.00 0.00 H new ATOM 0 HA LYS A 6 10.295 -31.044 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.865 -32.879 2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.272 -33.313 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.025 -30.976 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.445 -30.897 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.906 -33.162 5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.426 -33.060 6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.778 -30.588 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.008 -31.998 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.415 -30.874 8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.027 -32.424 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.773 -31.057 7.679 1.00 0.00 H new ATOM 90 N ASP A 7 9.850 -32.874 0.456 1.00 0.00 N ATOM 91 CA ASP A 7 10.579 -33.788 -0.468 1.00 0.00 C ATOM 92 C ASP A 7 10.341 -33.375 -1.922 1.00 0.00 C ATOM 93 O ASP A 7 9.804 -34.131 -2.708 1.00 0.00 O ATOM 94 CB ASP A 7 10.080 -35.219 -0.260 1.00 0.00 C ATOM 95 CG ASP A 7 10.556 -35.736 1.099 1.00 0.00 C ATOM 96 OD1 ASP A 7 11.621 -35.321 1.527 1.00 0.00 O ATOM 97 OD2 ASP A 7 9.850 -36.536 1.688 1.00 0.00 O ATOM 0 H ASP A 7 8.952 -32.532 0.115 1.00 0.00 H new ATOM 0 HA ASP A 7 11.646 -33.731 -0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.991 -35.246 -0.310 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.452 -35.864 -1.056 1.00 0.00 H new ATOM 102 N TYR A 8 10.741 -32.189 -2.294 1.00 0.00 N ATOM 103 CA TYR A 8 10.540 -31.752 -3.705 1.00 0.00 C ATOM 104 C TYR A 8 11.879 -31.274 -4.284 1.00 0.00 C ATOM 105 O TYR A 8 12.856 -31.139 -3.576 1.00 0.00 O ATOM 106 CB TYR A 8 9.503 -30.619 -3.753 1.00 0.00 C ATOM 107 CG TYR A 8 10.161 -29.292 -3.447 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.574 -29.002 -2.144 1.00 0.00 C ATOM 109 CD2 TYR A 8 10.358 -28.357 -4.470 1.00 0.00 C ATOM 110 CE1 TYR A 8 11.184 -27.774 -1.860 1.00 0.00 C ATOM 111 CE2 TYR A 8 10.968 -27.130 -4.187 1.00 0.00 C ATOM 112 CZ TYR A 8 11.381 -26.837 -2.882 1.00 0.00 C ATOM 113 OH TYR A 8 11.981 -25.627 -2.602 1.00 0.00 O ATOM 0 H TYR A 8 11.195 -31.508 -1.686 1.00 0.00 H new ATOM 0 HA TYR A 8 10.172 -32.588 -4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.038 -30.584 -4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 8 8.708 -30.813 -3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.423 -29.725 -1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.039 -28.583 -5.477 1.00 0.00 H new ATOM 0 HE1 TYR A 8 11.503 -27.549 -0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.120 -26.408 -4.976 1.00 0.00 H new ATOM 0 HH TYR A 8 12.607 -25.737 -1.856 1.00 0.00 H new ATOM 123 N ARG A 9 11.928 -31.017 -5.562 1.00 0.00 N ATOM 124 CA ARG A 9 13.203 -30.547 -6.176 1.00 0.00 C ATOM 125 C ARG A 9 12.895 -29.569 -7.311 1.00 0.00 C ATOM 126 O ARG A 9 11.881 -29.669 -7.973 1.00 0.00 O ATOM 127 CB ARG A 9 13.976 -31.744 -6.734 1.00 0.00 C ATOM 128 CG ARG A 9 15.384 -31.297 -7.134 1.00 0.00 C ATOM 129 CD ARG A 9 16.158 -32.490 -7.702 1.00 0.00 C ATOM 130 NE ARG A 9 17.530 -32.054 -8.085 1.00 0.00 N ATOM 131 CZ ARG A 9 18.446 -32.944 -8.359 1.00 0.00 C ATOM 132 NH1 ARG A 9 18.191 -33.902 -9.207 1.00 0.00 N ATOM 133 NH2 ARG A 9 19.617 -32.876 -7.785 1.00 0.00 N ATOM 0 H ARG A 9 11.143 -31.112 -6.207 1.00 0.00 H new ATOM 0 HA ARG A 9 13.805 -30.047 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.032 -32.535 -5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.455 -32.157 -7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.327 -30.501 -7.876 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.907 -30.890 -6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.212 -33.288 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.638 -32.895 -8.570 1.00 0.00 H new ATOM 0 HE ARG A 9 17.754 -31.060 -8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.277 -33.956 -9.656 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.906 -34.597 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.817 -32.127 -7.122 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.331 -33.572 -8.000 1.00 0.00 H new ATOM 147 N VAL A 10 13.765 -28.622 -7.541 1.00 0.00 N ATOM 148 CA VAL A 10 13.524 -27.637 -8.633 1.00 0.00 C ATOM 149 C VAL A 10 14.832 -27.379 -9.383 1.00 0.00 C ATOM 150 O VAL A 10 15.866 -27.144 -8.789 1.00 0.00 O ATOM 151 CB VAL A 10 13.008 -26.328 -8.034 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.880 -25.278 -9.140 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.638 -26.566 -7.394 1.00 0.00 C ATOM 0 H VAL A 10 14.632 -28.489 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 10 12.782 -28.034 -9.326 1.00 0.00 H new ATOM 0 HB VAL A 10 13.706 -25.974 -7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.512 -24.344 -8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.855 -25.109 -9.596 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.181 -25.631 -9.898 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.269 -25.634 -6.967 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.939 -26.919 -8.152 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.729 -27.315 -6.607 1.00 0.00 H new ATOM 163 N LEU A 11 14.794 -27.420 -10.687 1.00 0.00 N ATOM 164 CA LEU A 11 16.031 -27.178 -11.481 1.00 0.00 C ATOM 165 C LEU A 11 15.789 -26.025 -12.458 1.00 0.00 C ATOM 166 O LEU A 11 14.693 -25.511 -12.561 1.00 0.00 O ATOM 167 CB LEU A 11 16.385 -28.446 -12.262 1.00 0.00 C ATOM 168 CG LEU A 11 17.648 -29.074 -11.672 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.270 -29.975 -10.496 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.354 -29.906 -12.746 1.00 0.00 C ATOM 0 H LEU A 11 13.957 -27.611 -11.238 1.00 0.00 H new ATOM 0 HA LEU A 11 16.853 -26.920 -10.813 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.559 -29.156 -12.218 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.543 -28.206 -13.313 1.00 0.00 H new ATOM 0 HG LEU A 11 18.316 -28.286 -11.325 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.171 -30.422 -10.076 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.768 -29.383 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.601 -30.763 -10.842 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.255 -30.354 -12.326 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.686 -30.693 -13.094 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.625 -29.264 -13.584 1.00 0.00 H new ATOM 182 N PRO A 12 16.835 -25.615 -13.192 1.00 0.00 N ATOM 183 CA PRO A 12 16.735 -24.522 -14.168 1.00 0.00 C ATOM 184 C PRO A 12 15.845 -24.907 -15.353 1.00 0.00 C ATOM 185 O PRO A 12 15.254 -24.065 -16.000 1.00 0.00 O ATOM 186 CB PRO A 12 18.179 -24.322 -14.632 1.00 0.00 C ATOM 187 CG PRO A 12 18.833 -25.638 -14.380 1.00 0.00 C ATOM 188 CD PRO A 12 18.194 -26.182 -13.135 1.00 0.00 C ATOM 0 HA PRO A 12 16.288 -23.625 -13.740 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.224 -24.051 -15.687 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.668 -23.522 -14.076 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.687 -26.315 -15.222 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.909 -25.521 -14.248 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.178 -27.272 -13.132 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.726 -25.868 -12.237 1.00 0.00 H new ATOM 196 N ARG A 13 15.739 -26.175 -15.632 1.00 0.00 N ATOM 197 CA ARG A 13 14.881 -26.622 -16.766 1.00 0.00 C ATOM 198 C ARG A 13 13.619 -27.280 -16.206 1.00 0.00 C ATOM 199 O ARG A 13 12.579 -27.285 -16.833 1.00 0.00 O ATOM 200 CB ARG A 13 15.646 -27.635 -17.618 1.00 0.00 C ATOM 201 CG ARG A 13 16.803 -26.933 -18.333 1.00 0.00 C ATOM 202 CD ARG A 13 17.492 -27.920 -19.275 1.00 0.00 C ATOM 203 NE ARG A 13 18.730 -27.301 -19.825 1.00 0.00 N ATOM 204 CZ ARG A 13 18.805 -27.009 -21.094 1.00 0.00 C ATOM 205 NH1 ARG A 13 19.415 -27.819 -21.916 1.00 0.00 N ATOM 206 NH2 ARG A 13 18.270 -25.906 -21.541 1.00 0.00 N ATOM 0 H ARG A 13 16.210 -26.923 -15.124 1.00 0.00 H new ATOM 0 HA ARG A 13 14.610 -25.765 -17.382 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.028 -28.440 -16.990 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.977 -28.091 -18.348 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.431 -26.076 -18.895 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.517 -26.550 -17.604 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.738 -28.838 -18.741 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.819 -28.195 -20.087 1.00 0.00 H new ATOM 0 HE ARG A 13 19.519 -27.105 -19.209 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.833 -28.681 -21.566 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.473 -27.590 -22.908 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.794 -25.273 -20.898 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.328 -25.677 -22.533 1.00 0.00 H new ATOM 220 N ILE A 14 13.706 -27.835 -15.029 1.00 0.00 N ATOM 221 CA ILE A 14 12.515 -28.496 -14.425 1.00 0.00 C ATOM 222 C ILE A 14 11.624 -27.439 -13.769 1.00 0.00 C ATOM 223 O ILE A 14 10.413 -27.499 -13.848 1.00 0.00 O ATOM 224 CB ILE A 14 12.976 -29.500 -13.365 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.882 -30.549 -14.013 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.757 -30.188 -12.751 1.00 0.00 C ATOM 227 CD1 ILE A 14 13.201 -31.110 -15.262 1.00 0.00 C ATOM 0 H ILE A 14 14.551 -27.859 -14.459 1.00 0.00 H new ATOM 0 HA ILE A 14 11.953 -29.015 -15.201 1.00 0.00 H new ATOM 0 HB ILE A 14 13.529 -28.976 -12.585 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.841 -30.103 -14.278 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.089 -31.353 -13.306 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.084 -30.903 -11.996 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.112 -29.441 -12.288 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.204 -30.711 -13.531 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.846 -31.857 -15.724 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.253 -31.571 -14.984 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.017 -30.302 -15.970 1.00 0.00 H new ATOM 239 N GLY A 15 12.214 -26.471 -13.122 1.00 0.00 N ATOM 240 CA GLY A 15 11.400 -25.413 -12.461 1.00 0.00 C ATOM 241 C GLY A 15 10.654 -26.018 -11.270 1.00 0.00 C ATOM 242 O GLY A 15 11.149 -26.904 -10.601 1.00 0.00 O ATOM 0 H GLY A 15 13.224 -26.368 -13.023 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.043 -24.599 -12.126 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.691 -24.987 -13.171 1.00 0.00 H new ATOM 246 N TYR A 16 9.467 -25.551 -11.001 1.00 0.00 N ATOM 247 CA TYR A 16 8.691 -26.106 -9.857 1.00 0.00 C ATOM 248 C TYR A 16 7.490 -26.886 -10.393 1.00 0.00 C ATOM 249 O TYR A 16 7.020 -26.642 -11.487 1.00 0.00 O ATOM 250 CB TYR A 16 8.201 -24.964 -8.963 1.00 0.00 C ATOM 251 CG TYR A 16 8.032 -25.472 -7.552 1.00 0.00 C ATOM 252 CD1 TYR A 16 6.948 -26.296 -7.229 1.00 0.00 C ATOM 253 CD2 TYR A 16 8.963 -25.121 -6.566 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.793 -26.769 -5.920 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.808 -25.593 -5.258 1.00 0.00 C ATOM 256 CZ TYR A 16 7.723 -26.418 -4.934 1.00 0.00 C ATOM 257 OH TYR A 16 7.569 -26.886 -3.646 1.00 0.00 O ATOM 0 H TYR A 16 9.001 -24.809 -11.523 1.00 0.00 H new ATOM 0 HA TYR A 16 9.329 -26.770 -9.274 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.915 -24.140 -8.982 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.254 -24.574 -9.337 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.231 -26.567 -7.989 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.800 -24.486 -6.815 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.956 -27.405 -5.671 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.525 -25.321 -4.498 1.00 0.00 H new ATOM 0 HH TYR A 16 8.050 -26.300 -3.025 1.00 0.00 H new ATOM 267 N LEU A 17 6.993 -27.825 -9.637 1.00 0.00 N ATOM 268 CA LEU A 17 5.825 -28.618 -10.115 1.00 0.00 C ATOM 269 C LEU A 17 4.591 -28.287 -9.275 1.00 0.00 C ATOM 270 O LEU A 17 4.592 -28.416 -8.066 1.00 0.00 O ATOM 271 CB LEU A 17 6.142 -30.109 -9.997 1.00 0.00 C ATOM 272 CG LEU A 17 7.156 -30.497 -11.075 1.00 0.00 C ATOM 273 CD1 LEU A 17 7.429 -32.000 -11.002 1.00 0.00 C ATOM 274 CD2 LEU A 17 6.593 -30.147 -12.454 1.00 0.00 C ATOM 0 H LEU A 17 7.343 -28.077 -8.713 1.00 0.00 H new ATOM 0 HA LEU A 17 5.623 -28.369 -11.157 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.543 -30.330 -9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.231 -30.696 -10.110 1.00 0.00 H new ATOM 0 HG LEU A 17 8.085 -29.951 -10.913 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.151 -32.276 -11.770 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.830 -32.250 -10.020 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.500 -32.547 -11.164 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.315 -30.423 -13.223 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.663 -30.692 -12.617 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.399 -29.076 -12.507 1.00 0.00 H new ATOM 286 N CYS A 18 3.534 -27.867 -9.914 1.00 0.00 N ATOM 287 CA CYS A 18 2.286 -27.529 -9.174 1.00 0.00 C ATOM 288 C CYS A 18 1.082 -27.983 -9.998 1.00 0.00 C ATOM 289 O CYS A 18 1.158 -28.106 -11.205 1.00 0.00 O ATOM 290 CB CYS A 18 2.210 -26.017 -8.956 1.00 0.00 C ATOM 291 SG CYS A 18 3.700 -25.456 -8.095 1.00 0.00 S ATOM 0 H CYS A 18 3.481 -27.743 -10.925 1.00 0.00 H new ATOM 0 HA CYS A 18 2.286 -28.032 -8.207 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.116 -25.505 -9.914 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.324 -25.767 -8.372 1.00 0.00 H new ATOM 296 N PRO A 19 -0.052 -28.237 -9.334 1.00 0.00 N ATOM 297 CA PRO A 19 -1.277 -28.677 -10.007 1.00 0.00 C ATOM 298 C PRO A 19 -1.896 -27.553 -10.838 1.00 0.00 C ATOM 299 O PRO A 19 -1.556 -26.397 -10.687 1.00 0.00 O ATOM 300 CB PRO A 19 -2.205 -29.058 -8.857 1.00 0.00 C ATOM 301 CG PRO A 19 -1.715 -28.261 -7.694 1.00 0.00 C ATOM 302 CD PRO A 19 -0.229 -28.109 -7.878 1.00 0.00 C ATOM 0 HA PRO A 19 -1.093 -29.495 -10.704 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.243 -28.821 -9.091 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.161 -30.127 -8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.203 -27.287 -7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.940 -28.766 -6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.125 -27.145 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.324 -28.877 -7.337 1.00 0.00 H new ATOM 310 N LYS A 20 -2.797 -27.884 -11.719 1.00 0.00 N ATOM 311 CA LYS A 20 -3.431 -26.832 -12.561 1.00 0.00 C ATOM 312 C LYS A 20 -4.583 -26.186 -11.791 1.00 0.00 C ATOM 313 O LYS A 20 -4.936 -25.046 -12.022 1.00 0.00 O ATOM 314 CB LYS A 20 -3.959 -27.460 -13.852 1.00 0.00 C ATOM 315 CG LYS A 20 -2.784 -28.020 -14.659 1.00 0.00 C ATOM 316 CD LYS A 20 -3.289 -28.543 -16.005 1.00 0.00 C ATOM 317 CE LYS A 20 -2.110 -29.095 -16.812 1.00 0.00 C ATOM 318 NZ LYS A 20 -2.485 -30.408 -17.409 1.00 0.00 N ATOM 0 H LYS A 20 -3.122 -28.835 -11.893 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.692 -26.070 -12.808 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.668 -28.255 -13.620 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.496 -26.715 -14.439 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.035 -27.244 -14.817 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.299 -28.823 -14.104 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.033 -29.324 -15.848 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.779 -27.742 -16.558 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.833 -28.392 -17.598 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.238 -29.212 -16.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.684 -30.782 -17.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.729 -31.077 -16.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.305 -30.283 -18.037 1.00 0.00 H new ATOM 332 N ASP A 21 -5.171 -26.904 -10.874 1.00 0.00 N ATOM 333 CA ASP A 21 -6.297 -26.327 -10.086 1.00 0.00 C ATOM 334 C ASP A 21 -5.802 -25.097 -9.323 1.00 0.00 C ATOM 335 O ASP A 21 -4.798 -25.143 -8.640 1.00 0.00 O ATOM 336 CB ASP A 21 -6.809 -27.369 -9.092 1.00 0.00 C ATOM 337 CG ASP A 21 -7.292 -28.607 -9.851 1.00 0.00 C ATOM 338 OD1 ASP A 21 -7.441 -28.516 -11.058 1.00 0.00 O ATOM 339 OD2 ASP A 21 -7.506 -29.623 -9.212 1.00 0.00 O ATOM 0 H ASP A 21 -4.921 -27.864 -10.636 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.104 -26.040 -10.759 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.016 -27.643 -8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.624 -26.952 -8.500 1.00 0.00 H new ATOM 344 N LEU A 22 -6.495 -23.997 -9.433 1.00 0.00 N ATOM 345 CA LEU A 22 -6.054 -22.771 -8.710 1.00 0.00 C ATOM 346 C LEU A 22 -6.674 -22.753 -7.311 1.00 0.00 C ATOM 347 O LEU A 22 -7.877 -22.805 -7.154 1.00 0.00 O ATOM 348 CB LEU A 22 -6.505 -21.528 -9.480 1.00 0.00 C ATOM 349 CG LEU A 22 -6.026 -20.276 -8.742 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.502 -20.315 -8.607 1.00 0.00 C ATOM 351 CD2 LEU A 22 -6.434 -19.029 -9.529 1.00 0.00 C ATOM 0 H LEU A 22 -7.344 -23.894 -9.990 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.967 -22.772 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.100 -21.546 -10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.591 -21.517 -9.572 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.480 -20.245 -7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.160 -19.423 -8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.209 -21.202 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.050 -20.348 -9.598 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.092 -18.138 -9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.982 -19.060 -10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.519 -18.999 -9.626 1.00 0.00 H new ATOM 363 N LYS A 23 -5.859 -22.676 -6.297 1.00 0.00 N ATOM 364 CA LYS A 23 -6.397 -22.650 -4.907 1.00 0.00 C ATOM 365 C LYS A 23 -5.695 -21.544 -4.117 1.00 0.00 C ATOM 366 O LYS A 23 -4.566 -21.693 -3.695 1.00 0.00 O ATOM 367 CB LYS A 23 -6.145 -24.003 -4.241 1.00 0.00 C ATOM 368 CG LYS A 23 -7.368 -24.896 -4.436 1.00 0.00 C ATOM 369 CD LYS A 23 -8.241 -24.848 -3.181 1.00 0.00 C ATOM 370 CE LYS A 23 -9.633 -25.396 -3.508 1.00 0.00 C ATOM 371 NZ LYS A 23 -10.483 -24.298 -4.048 1.00 0.00 N ATOM 0 H LYS A 23 -4.843 -22.630 -6.370 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.469 -22.455 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.263 -24.475 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.945 -23.867 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.940 -24.563 -5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.055 -25.921 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.785 -25.436 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.318 -23.823 -2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.556 -26.203 -4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.090 -25.817 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.429 -24.669 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.566 -23.542 -3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.049 -23.916 -4.912 1.00 0.00 H new ATOM 385 N PRO A 24 -6.384 -20.408 -3.924 1.00 0.00 N ATOM 386 CA PRO A 24 -5.836 -19.251 -3.199 1.00 0.00 C ATOM 387 C PRO A 24 -5.552 -19.567 -1.731 1.00 0.00 C ATOM 388 O PRO A 24 -6.428 -19.958 -0.986 1.00 0.00 O ATOM 389 CB PRO A 24 -6.946 -18.201 -3.316 1.00 0.00 C ATOM 390 CG PRO A 24 -8.184 -19.000 -3.535 1.00 0.00 C ATOM 391 CD PRO A 24 -7.761 -20.162 -4.386 1.00 0.00 C ATOM 0 HA PRO A 24 -4.880 -18.928 -3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.018 -17.595 -2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.762 -17.517 -4.145 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.606 -19.339 -2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.952 -18.407 -4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.402 -21.031 -4.235 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.796 -19.921 -5.449 1.00 0.00 H new ATOM 399 N VAL A 25 -4.327 -19.398 -1.308 1.00 0.00 N ATOM 400 CA VAL A 25 -3.983 -19.685 0.114 1.00 0.00 C ATOM 401 C VAL A 25 -3.397 -18.434 0.766 1.00 0.00 C ATOM 402 O VAL A 25 -2.834 -17.583 0.106 1.00 0.00 O ATOM 403 CB VAL A 25 -2.931 -20.793 0.178 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.414 -22.028 -0.582 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.631 -20.286 -0.450 1.00 0.00 C ATOM 0 H VAL A 25 -3.551 -19.074 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.888 -19.994 0.636 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.762 -21.065 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.655 -22.808 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.340 -22.391 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.592 -21.767 -1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.876 -21.071 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.812 -20.012 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.278 -19.413 0.099 1.00 0.00 H new ATOM 415 N CYS A 26 -3.496 -18.331 2.063 1.00 0.00 N ATOM 416 CA CYS A 26 -2.913 -17.153 2.759 1.00 0.00 C ATOM 417 C CYS A 26 -1.557 -17.564 3.335 1.00 0.00 C ATOM 418 O CYS A 26 -1.406 -18.644 3.869 1.00 0.00 O ATOM 419 CB CYS A 26 -3.839 -16.700 3.893 1.00 0.00 C ATOM 420 SG CYS A 26 -3.029 -15.392 4.845 1.00 0.00 S ATOM 0 H CYS A 26 -3.955 -19.011 2.669 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.795 -16.326 2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.782 -16.337 3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.077 -17.543 4.542 1.00 0.00 H new ATOM 425 N GLY A 27 -0.565 -16.728 3.218 1.00 0.00 N ATOM 426 CA GLY A 27 0.779 -17.094 3.749 1.00 0.00 C ATOM 427 C GLY A 27 0.956 -16.527 5.159 1.00 0.00 C ATOM 428 O GLY A 27 0.575 -15.408 5.443 1.00 0.00 O ATOM 0 H GLY A 27 -0.625 -15.809 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.889 -18.178 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.557 -16.706 3.092 1.00 0.00 H new ATOM 432 N ASP A 28 1.533 -17.293 6.043 1.00 0.00 N ATOM 433 CA ASP A 28 1.742 -16.808 7.438 1.00 0.00 C ATOM 434 C ASP A 28 2.689 -15.606 7.429 1.00 0.00 C ATOM 435 O ASP A 28 2.845 -14.921 8.420 1.00 0.00 O ATOM 436 CB ASP A 28 2.352 -17.930 8.282 1.00 0.00 C ATOM 437 CG ASP A 28 3.720 -18.312 7.713 1.00 0.00 C ATOM 438 OD1 ASP A 28 4.197 -17.603 6.842 1.00 0.00 O ATOM 439 OD2 ASP A 28 4.267 -19.308 8.158 1.00 0.00 O ATOM 0 H ASP A 28 1.870 -18.238 5.859 1.00 0.00 H new ATOM 0 HA ASP A 28 0.784 -16.510 7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.455 -17.605 9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.692 -18.798 8.284 1.00 0.00 H new ATOM 444 N ASP A 29 3.319 -15.343 6.318 1.00 0.00 N ATOM 445 CA ASP A 29 4.252 -14.183 6.250 1.00 0.00 C ATOM 446 C ASP A 29 3.462 -12.916 5.914 1.00 0.00 C ATOM 447 O ASP A 29 4.025 -11.894 5.577 1.00 0.00 O ATOM 448 CB ASP A 29 5.300 -14.435 5.165 1.00 0.00 C ATOM 449 CG ASP A 29 6.263 -15.528 5.631 1.00 0.00 C ATOM 450 OD1 ASP A 29 6.153 -15.940 6.775 1.00 0.00 O ATOM 451 OD2 ASP A 29 7.095 -15.936 4.837 1.00 0.00 O ATOM 0 H ASP A 29 3.229 -15.880 5.455 1.00 0.00 H new ATOM 0 HA ASP A 29 4.750 -14.057 7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.813 -14.735 4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.849 -13.517 4.954 1.00 0.00 H new ATOM 456 N GLY A 30 2.161 -12.976 6.002 1.00 0.00 N ATOM 457 CA GLY A 30 1.337 -11.777 5.686 1.00 0.00 C ATOM 458 C GLY A 30 1.204 -11.638 4.168 1.00 0.00 C ATOM 459 O GLY A 30 0.903 -10.578 3.657 1.00 0.00 O ATOM 0 H GLY A 30 1.634 -13.804 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.351 -11.869 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.800 -10.883 6.105 1.00 0.00 H new ATOM 463 N GLN A 31 1.425 -12.701 3.444 1.00 0.00 N ATOM 464 CA GLN A 31 1.310 -12.629 1.960 1.00 0.00 C ATOM 465 C GLN A 31 0.318 -13.685 1.473 1.00 0.00 C ATOM 466 O GLN A 31 0.040 -14.647 2.157 1.00 0.00 O ATOM 467 CB GLN A 31 2.678 -12.889 1.329 1.00 0.00 C ATOM 468 CG GLN A 31 3.608 -11.711 1.619 1.00 0.00 C ATOM 469 CD GLN A 31 5.011 -12.028 1.099 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.268 -13.124 0.639 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.938 -11.111 1.154 1.00 0.00 N ATOM 0 H GLN A 31 1.680 -13.616 3.816 1.00 0.00 H new ATOM 0 HA GLN A 31 0.958 -11.638 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.105 -13.809 1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.573 -13.026 0.253 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.227 -10.808 1.142 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.641 -11.516 2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.723 -10.191 1.540 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.877 -11.314 0.811 1.00 0.00 H new ATOM 480 N THR A 32 -0.217 -13.517 0.295 1.00 0.00 N ATOM 481 CA THR A 32 -1.188 -14.520 -0.230 1.00 0.00 C ATOM 482 C THR A 32 -0.654 -15.117 -1.530 1.00 0.00 C ATOM 483 O THR A 32 -0.055 -14.437 -2.339 1.00 0.00 O ATOM 484 CB THR A 32 -2.532 -13.842 -0.499 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.985 -13.203 0.686 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.550 -14.897 -0.936 1.00 0.00 C ATOM 0 H THR A 32 -0.025 -12.731 -0.326 1.00 0.00 H new ATOM 0 HA THR A 32 -1.321 -15.312 0.507 1.00 0.00 H new ATOM 0 HB THR A 32 -2.417 -13.098 -1.288 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.649 -12.520 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.510 -14.418 -1.129 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.199 -15.386 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.667 -15.639 -0.146 1.00 0.00 H new ATOM 494 N TYR A 33 -0.872 -16.385 -1.738 1.00 0.00 N ATOM 495 CA TYR A 33 -0.382 -17.031 -2.986 1.00 0.00 C ATOM 496 C TYR A 33 -1.567 -17.629 -3.739 1.00 0.00 C ATOM 497 O TYR A 33 -2.386 -18.328 -3.175 1.00 0.00 O ATOM 498 CB TYR A 33 0.612 -18.137 -2.628 1.00 0.00 C ATOM 499 CG TYR A 33 1.675 -17.572 -1.717 1.00 0.00 C ATOM 500 CD1 TYR A 33 2.739 -16.839 -2.255 1.00 0.00 C ATOM 501 CD2 TYR A 33 1.593 -17.775 -0.335 1.00 0.00 C ATOM 502 CE1 TYR A 33 3.722 -16.309 -1.411 1.00 0.00 C ATOM 503 CE2 TYR A 33 2.577 -17.247 0.510 1.00 0.00 C ATOM 504 CZ TYR A 33 3.641 -16.513 -0.028 1.00 0.00 C ATOM 505 OH TYR A 33 4.611 -15.990 0.804 1.00 0.00 O ATOM 0 H TYR A 33 -1.369 -17.003 -1.096 1.00 0.00 H new ATOM 0 HA TYR A 33 0.113 -16.291 -3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.096 -18.962 -2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.068 -18.540 -3.533 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.802 -16.682 -3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.771 -18.339 0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.543 -15.743 -1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.515 -17.406 1.576 1.00 0.00 H new ATOM 0 HH TYR A 33 4.723 -15.035 0.616 1.00 0.00 H new ATOM 515 N ASN A 34 -1.673 -17.357 -5.009 1.00 0.00 N ATOM 516 CA ASN A 34 -2.813 -17.906 -5.791 1.00 0.00 C ATOM 517 C ASN A 34 -2.870 -19.425 -5.615 1.00 0.00 C ATOM 518 O ASN A 34 -3.696 -19.942 -4.898 1.00 0.00 O ATOM 519 CB ASN A 34 -2.639 -17.559 -7.273 1.00 0.00 C ATOM 520 CG ASN A 34 -2.102 -16.133 -7.401 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.554 -15.237 -6.715 1.00 0.00 O ATOM 522 ND2 ASN A 34 -1.151 -15.880 -8.258 1.00 0.00 N ATOM 0 H ASN A 34 -1.020 -16.779 -5.538 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.743 -17.468 -5.430 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.952 -18.262 -7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.593 -17.648 -7.793 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.788 -14.931 -8.352 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.771 -16.631 -8.834 1.00 0.00 H new ATOM 529 N ASN A 35 -2.003 -20.144 -6.264 1.00 0.00 N ATOM 530 CA ASN A 35 -2.015 -21.628 -6.129 1.00 0.00 C ATOM 531 C ASN A 35 -1.266 -22.037 -4.856 1.00 0.00 C ATOM 532 O ASN A 35 -0.312 -21.398 -4.460 1.00 0.00 O ATOM 533 CB ASN A 35 -1.334 -22.237 -7.359 1.00 0.00 C ATOM 534 CG ASN A 35 -1.189 -23.749 -7.190 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.482 -24.210 -6.315 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.835 -24.545 -7.997 1.00 0.00 N ATOM 0 H ASN A 35 -1.284 -19.770 -6.884 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.041 -21.989 -6.061 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.919 -22.018 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.353 -21.784 -7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.747 -25.556 -7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.428 -24.156 -8.730 1.00 0.00 H new ATOM 543 N PRO A 36 -1.702 -23.131 -4.208 1.00 0.00 N ATOM 544 CA PRO A 36 -1.061 -23.634 -2.984 1.00 0.00 C ATOM 545 C PRO A 36 0.382 -24.067 -3.247 1.00 0.00 C ATOM 546 O PRO A 36 1.297 -23.646 -2.566 1.00 0.00 O ATOM 547 CB PRO A 36 -1.926 -24.837 -2.597 1.00 0.00 C ATOM 548 CG PRO A 36 -2.562 -25.252 -3.879 1.00 0.00 C ATOM 549 CD PRO A 36 -2.842 -23.970 -4.607 1.00 0.00 C ATOM 0 HA PRO A 36 -1.001 -22.878 -2.201 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.325 -25.640 -2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.673 -24.568 -1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.901 -25.898 -4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.479 -25.813 -3.701 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.883 -24.115 -5.687 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.794 -23.532 -4.308 1.00 0.00 H new ATOM 557 N CYS A 37 0.603 -24.886 -4.239 1.00 0.00 N ATOM 558 CA CYS A 37 1.995 -25.308 -4.542 1.00 0.00 C ATOM 559 C CYS A 37 2.806 -24.056 -4.874 1.00 0.00 C ATOM 560 O CYS A 37 3.995 -23.986 -4.634 1.00 0.00 O ATOM 561 CB CYS A 37 1.991 -26.263 -5.738 1.00 0.00 C ATOM 562 SG CYS A 37 3.680 -26.478 -6.354 1.00 0.00 S ATOM 0 H CYS A 37 -0.116 -25.277 -4.847 1.00 0.00 H new ATOM 0 HA CYS A 37 2.434 -25.823 -3.688 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.575 -27.227 -5.444 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.353 -25.868 -6.529 1.00 0.00 H new ATOM 567 N MET A 38 2.158 -23.059 -5.415 1.00 0.00 N ATOM 568 CA MET A 38 2.869 -21.798 -5.756 1.00 0.00 C ATOM 569 C MET A 38 3.374 -21.149 -4.466 1.00 0.00 C ATOM 570 O MET A 38 4.317 -20.384 -4.473 1.00 0.00 O ATOM 571 CB MET A 38 1.901 -20.849 -6.471 1.00 0.00 C ATOM 572 CG MET A 38 1.988 -21.070 -7.983 1.00 0.00 C ATOM 573 SD MET A 38 3.674 -20.730 -8.551 1.00 0.00 S ATOM 574 CE MET A 38 3.612 -18.929 -8.391 1.00 0.00 C ATOM 0 H MET A 38 1.162 -23.066 -5.635 1.00 0.00 H new ATOM 0 HA MET A 38 3.713 -22.010 -6.412 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.882 -21.025 -6.126 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.145 -19.814 -6.230 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.711 -22.096 -8.227 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.282 -20.418 -8.497 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.995 -18.469 -9.302 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.581 -18.613 -8.230 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.223 -18.618 -7.544 1.00 0.00 H new ATOM 584 N LEU A 39 2.759 -21.457 -3.354 1.00 0.00 N ATOM 585 CA LEU A 39 3.217 -20.866 -2.066 1.00 0.00 C ATOM 586 C LEU A 39 4.641 -21.348 -1.790 1.00 0.00 C ATOM 587 O LEU A 39 5.523 -20.569 -1.484 1.00 0.00 O ATOM 588 CB LEU A 39 2.288 -21.310 -0.932 1.00 0.00 C ATOM 589 CG LEU A 39 2.817 -20.773 0.401 1.00 0.00 C ATOM 590 CD1 LEU A 39 1.645 -20.398 1.311 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.657 -21.850 1.082 1.00 0.00 C ATOM 0 H LEU A 39 1.962 -22.090 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 39 3.198 -19.778 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.278 -20.941 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.229 -22.398 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 39 3.428 -19.889 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.027 -20.017 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.040 -19.630 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.031 -21.280 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.035 -21.471 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.042 -22.731 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.495 -22.118 0.439 1.00 0.00 H new ATOM 603 N CYS A 40 4.882 -22.626 -1.917 1.00 0.00 N ATOM 604 CA CYS A 40 6.258 -23.145 -1.685 1.00 0.00 C ATOM 605 C CYS A 40 7.224 -22.338 -2.548 1.00 0.00 C ATOM 606 O CYS A 40 8.347 -22.075 -2.172 1.00 0.00 O ATOM 607 CB CYS A 40 6.330 -24.618 -2.082 1.00 0.00 C ATOM 608 SG CYS A 40 7.839 -25.336 -1.404 1.00 0.00 S ATOM 0 H CYS A 40 4.188 -23.329 -2.170 1.00 0.00 H new ATOM 0 HA CYS A 40 6.520 -23.051 -0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.457 -25.152 -1.706 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.321 -24.716 -3.168 1.00 0.00 H new ATOM 613 N HIS A 41 6.783 -21.930 -3.704 1.00 0.00 N ATOM 614 CA HIS A 41 7.661 -21.124 -4.591 1.00 0.00 C ATOM 615 C HIS A 41 8.166 -19.914 -3.813 1.00 0.00 C ATOM 616 O HIS A 41 9.349 -19.635 -3.775 1.00 0.00 O ATOM 617 CB HIS A 41 6.856 -20.657 -5.800 1.00 0.00 C ATOM 618 CG HIS A 41 7.788 -20.350 -6.939 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.601 -21.317 -7.511 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.054 -19.187 -7.619 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.309 -20.723 -8.490 1.00 0.00 C ATOM 622 NE2 HIS A 41 9.014 -19.425 -8.597 1.00 0.00 N ATOM 0 H HIS A 41 5.851 -22.121 -4.072 1.00 0.00 H new ATOM 0 HA HIS A 41 8.507 -21.723 -4.929 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.145 -21.429 -6.096 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.276 -19.771 -5.543 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.588 -18.232 -7.424 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.028 -21.234 -9.113 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.408 -18.752 -9.255 1.00 0.00 H new ATOM 630 N GLU A 42 7.279 -19.197 -3.181 1.00 0.00 N ATOM 631 CA GLU A 42 7.710 -18.014 -2.393 1.00 0.00 C ATOM 632 C GLU A 42 8.737 -18.462 -1.356 1.00 0.00 C ATOM 633 O GLU A 42 9.501 -17.670 -0.840 1.00 0.00 O ATOM 634 CB GLU A 42 6.504 -17.402 -1.679 1.00 0.00 C ATOM 635 CG GLU A 42 6.813 -15.946 -1.319 1.00 0.00 C ATOM 636 CD GLU A 42 6.918 -15.117 -2.599 1.00 0.00 C ATOM 637 OE1 GLU A 42 6.290 -15.488 -3.576 1.00 0.00 O ATOM 638 OE2 GLU A 42 7.626 -14.123 -2.581 1.00 0.00 O ATOM 0 H GLU A 42 6.276 -19.381 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 42 8.148 -17.269 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.624 -17.451 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.274 -17.970 -0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.029 -15.545 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.746 -15.889 -0.758 1.00 0.00 H new ATOM 645 N ASN A 43 8.765 -19.731 -1.049 1.00 0.00 N ATOM 646 CA ASN A 43 9.752 -20.225 -0.045 1.00 0.00 C ATOM 647 C ASN A 43 11.115 -20.390 -0.721 1.00 0.00 C ATOM 648 O ASN A 43 12.148 -20.214 -0.109 1.00 0.00 O ATOM 649 CB ASN A 43 9.294 -21.571 0.528 1.00 0.00 C ATOM 650 CG ASN A 43 7.990 -21.383 1.306 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.979 -21.442 2.520 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.880 -21.157 0.655 1.00 0.00 N ATOM 0 H ASN A 43 8.152 -20.443 -1.446 1.00 0.00 H new ATOM 0 HA ASN A 43 9.829 -19.505 0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.147 -22.290 -0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.064 -21.979 1.183 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.006 -21.030 1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.887 -21.107 -0.364 1.00 0.00 H new ATOM 659 N LEU A 44 11.123 -20.720 -1.985 1.00 0.00 N ATOM 660 CA LEU A 44 12.418 -20.887 -2.703 1.00 0.00 C ATOM 661 C LEU A 44 13.090 -19.519 -2.848 1.00 0.00 C ATOM 662 O LEU A 44 14.283 -19.380 -2.659 1.00 0.00 O ATOM 663 CB LEU A 44 12.160 -21.481 -4.090 1.00 0.00 C ATOM 664 CG LEU A 44 13.476 -21.986 -4.687 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.387 -20.797 -4.993 1.00 0.00 C ATOM 666 CD2 LEU A 44 14.169 -22.916 -3.688 1.00 0.00 C ATOM 0 H LEU A 44 10.289 -20.881 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 44 13.068 -21.557 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.444 -22.300 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.719 -20.728 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 44 13.270 -22.532 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.324 -21.157 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.895 -20.136 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.592 -20.250 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.106 -23.275 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.375 -22.372 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.521 -23.765 -3.471 1.00 0.00 H new ATOM 678 N ILE A 45 12.333 -18.509 -3.179 1.00 0.00 N ATOM 679 CA ILE A 45 12.926 -17.150 -3.331 1.00 0.00 C ATOM 680 C ILE A 45 13.305 -16.610 -1.951 1.00 0.00 C ATOM 681 O ILE A 45 14.435 -16.237 -1.707 1.00 0.00 O ATOM 682 CB ILE A 45 11.907 -16.209 -3.977 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.182 -16.937 -5.111 1.00 0.00 C ATOM 684 CG2 ILE A 45 12.629 -14.983 -4.538 1.00 0.00 C ATOM 685 CD1 ILE A 45 10.369 -15.929 -5.923 1.00 0.00 C ATOM 0 H ILE A 45 11.329 -18.566 -3.351 1.00 0.00 H new ATOM 0 HA ILE A 45 13.812 -17.211 -3.963 1.00 0.00 H new ATOM 0 HB ILE A 45 11.181 -15.893 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.903 -17.441 -5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.526 -17.706 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.903 -14.312 -4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.143 -14.462 -3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.356 -15.299 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.852 -16.446 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.638 -15.445 -5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.037 -15.176 -6.342 1.00 0.00 H new ATOM 697 N ARG A 46 12.366 -16.569 -1.047 1.00 0.00 N ATOM 698 CA ARG A 46 12.668 -16.056 0.318 1.00 0.00 C ATOM 699 C ARG A 46 13.561 -17.060 1.048 1.00 0.00 C ATOM 700 O ARG A 46 14.250 -16.722 1.990 1.00 0.00 O ATOM 701 CB ARG A 46 11.362 -15.876 1.094 1.00 0.00 C ATOM 702 CG ARG A 46 10.479 -14.853 0.375 1.00 0.00 C ATOM 703 CD ARG A 46 9.181 -14.657 1.163 1.00 0.00 C ATOM 704 NE ARG A 46 8.254 -13.790 0.382 1.00 0.00 N ATOM 705 CZ ARG A 46 8.672 -12.648 -0.090 1.00 0.00 C ATOM 706 NH1 ARG A 46 9.697 -12.053 0.458 1.00 0.00 N ATOM 707 NH2 ARG A 46 8.069 -12.104 -1.111 1.00 0.00 N ATOM 0 H ARG A 46 11.402 -16.869 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 46 13.181 -15.097 0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.840 -16.830 1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.573 -15.541 2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.007 -13.904 0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.256 -15.196 -0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.714 -15.622 1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.395 -14.201 2.130 1.00 0.00 H new ATOM 0 HE ARG A 46 7.293 -14.089 0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.170 -12.481 1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.025 -11.160 0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.271 -12.572 -1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.396 -11.211 -1.480 1.00 0.00 H new ATOM 721 N GLN A 47 13.553 -18.294 0.622 1.00 0.00 N ATOM 722 CA GLN A 47 14.399 -19.320 1.293 1.00 0.00 C ATOM 723 C GLN A 47 13.952 -19.473 2.746 1.00 0.00 C ATOM 724 O GLN A 47 14.744 -19.750 3.625 1.00 0.00 O ATOM 725 CB GLN A 47 15.863 -18.881 1.251 1.00 0.00 C ATOM 726 CG GLN A 47 16.314 -18.759 -0.206 1.00 0.00 C ATOM 727 CD GLN A 47 17.781 -18.328 -0.251 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.322 -17.866 0.734 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.451 -18.458 -1.363 1.00 0.00 N ATOM 0 H GLN A 47 12.997 -18.635 -0.162 1.00 0.00 H new ATOM 0 HA GLN A 47 14.293 -20.275 0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.983 -17.926 1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.486 -19.604 1.777 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.188 -19.713 -0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.694 -18.032 -0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.997 -18.846 -2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.429 -18.172 -1.406 1.00 0.00 H new ATOM 738 N THR A 48 12.686 -19.294 3.006 1.00 0.00 N ATOM 739 CA THR A 48 12.184 -19.429 4.402 1.00 0.00 C ATOM 740 C THR A 48 11.142 -20.547 4.460 1.00 0.00 C ATOM 741 O THR A 48 10.795 -21.137 3.456 1.00 0.00 O ATOM 742 CB THR A 48 11.545 -18.111 4.844 1.00 0.00 C ATOM 743 OG1 THR A 48 10.283 -17.963 4.208 1.00 0.00 O ATOM 744 CG2 THR A 48 12.454 -16.944 4.456 1.00 0.00 C ATOM 0 H THR A 48 11.977 -19.060 2.311 1.00 0.00 H new ATOM 0 HA THR A 48 13.014 -19.670 5.067 1.00 0.00 H new ATOM 0 HB THR A 48 11.410 -18.117 5.926 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.871 -17.120 4.491 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.997 -16.006 4.772 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.422 -17.059 4.944 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.592 -16.934 3.375 1.00 0.00 H new ATOM 752 N ASN A 49 10.642 -20.845 5.628 1.00 0.00 N ATOM 753 CA ASN A 49 9.625 -21.926 5.747 1.00 0.00 C ATOM 754 C ASN A 49 8.229 -21.306 5.838 1.00 0.00 C ATOM 755 O ASN A 49 7.527 -21.473 6.815 1.00 0.00 O ATOM 756 CB ASN A 49 9.902 -22.747 7.008 1.00 0.00 C ATOM 757 CG ASN A 49 11.257 -23.445 6.876 1.00 0.00 C ATOM 758 OD1 ASN A 49 11.782 -23.576 5.788 1.00 0.00 O ATOM 759 ND2 ASN A 49 11.850 -23.900 7.945 1.00 0.00 N ATOM 0 H ASN A 49 10.894 -20.387 6.504 1.00 0.00 H new ATOM 0 HA ASN A 49 9.678 -22.573 4.872 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.899 -22.099 7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.114 -23.485 7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.754 -24.366 7.868 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.410 -23.790 8.858 1.00 0.00 H new ATOM 766 N THR A 50 7.822 -20.590 4.825 1.00 0.00 N ATOM 767 CA THR A 50 6.471 -19.961 4.856 1.00 0.00 C ATOM 768 C THR A 50 5.401 -21.041 4.698 1.00 0.00 C ATOM 769 O THR A 50 5.473 -21.879 3.822 1.00 0.00 O ATOM 770 CB THR A 50 6.344 -18.955 3.708 1.00 0.00 C ATOM 771 OG1 THR A 50 7.400 -18.007 3.792 1.00 0.00 O ATOM 772 CG2 THR A 50 4.996 -18.234 3.808 1.00 0.00 C ATOM 0 H THR A 50 8.365 -20.414 3.980 1.00 0.00 H new ATOM 0 HA THR A 50 6.337 -19.447 5.808 1.00 0.00 H new ATOM 0 HB THR A 50 6.403 -19.480 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.027 -17.116 3.958 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.905 -17.518 2.991 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.188 -18.963 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.935 -17.708 4.761 1.00 0.00 H new ATOM 780 N HIS A 51 4.406 -21.026 5.539 1.00 0.00 N ATOM 781 CA HIS A 51 3.328 -22.048 5.434 1.00 0.00 C ATOM 782 C HIS A 51 2.006 -21.355 5.113 1.00 0.00 C ATOM 783 O HIS A 51 1.955 -20.158 4.912 1.00 0.00 O ATOM 784 CB HIS A 51 3.197 -22.792 6.763 1.00 0.00 C ATOM 785 CG HIS A 51 4.560 -22.989 7.368 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.503 -23.831 6.803 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.151 -22.463 8.489 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.601 -23.789 7.579 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.440 -22.970 8.621 1.00 0.00 N ATOM 0 H HIS A 51 4.292 -20.350 6.295 1.00 0.00 H new ATOM 0 HA HIS A 51 3.575 -22.756 4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.563 -22.227 7.446 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.715 -23.757 6.605 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.686 -21.762 9.166 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.503 -24.350 7.383 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.116 -22.761 9.356 1.00 0.00 H new ATOM 797 N ILE A 52 0.933 -22.094 5.066 1.00 0.00 N ATOM 798 CA ILE A 52 -0.382 -21.470 4.762 1.00 0.00 C ATOM 799 C ILE A 52 -1.009 -20.944 6.053 1.00 0.00 C ATOM 800 O ILE A 52 -1.197 -21.673 7.006 1.00 0.00 O ATOM 801 CB ILE A 52 -1.314 -22.503 4.132 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.686 -23.043 2.845 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.650 -21.833 3.811 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.706 -23.908 2.103 1.00 0.00 C ATOM 0 H ILE A 52 0.911 -23.101 5.225 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.233 -20.646 4.064 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.473 -23.329 4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.364 -22.217 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.202 -23.630 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.324 -22.562 3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.094 -21.448 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.487 -21.011 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.259 -24.293 1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.006 -24.742 2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.581 -23.307 1.855 1.00 0.00 H new ATOM 816 N ARG A 53 -1.339 -19.685 6.086 1.00 0.00 N ATOM 817 CA ARG A 53 -1.961 -19.104 7.308 1.00 0.00 C ATOM 818 C ARG A 53 -3.450 -19.447 7.321 1.00 0.00 C ATOM 819 O ARG A 53 -4.022 -19.761 8.346 1.00 0.00 O ATOM 820 CB ARG A 53 -1.791 -17.586 7.284 1.00 0.00 C ATOM 821 CG ARG A 53 -2.502 -16.971 8.488 1.00 0.00 C ATOM 822 CD ARG A 53 -2.353 -15.448 8.443 1.00 0.00 C ATOM 823 NE ARG A 53 -2.852 -14.862 9.720 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.708 -13.586 9.952 1.00 0.00 C ATOM 825 NH1 ARG A 53 -2.501 -12.761 8.963 1.00 0.00 N ATOM 826 NH2 ARG A 53 -2.770 -13.134 11.175 1.00 0.00 N ATOM 0 H ARG A 53 -1.204 -19.030 5.316 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.482 -19.512 8.198 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.732 -17.328 7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.201 -17.179 6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.557 -17.245 8.480 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.078 -17.362 9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.308 -15.178 8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.913 -15.042 7.601 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.306 -15.458 10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.452 -13.113 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.389 -11.764 9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.931 -13.778 11.949 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.657 -12.137 11.356 1.00 0.00 H new ATOM 840 N SER A 54 -4.076 -19.392 6.181 1.00 0.00 N ATOM 841 CA SER A 54 -5.527 -19.715 6.103 1.00 0.00 C ATOM 842 C SER A 54 -5.876 -20.093 4.664 1.00 0.00 C ATOM 843 O SER A 54 -5.225 -19.672 3.728 1.00 0.00 O ATOM 844 CB SER A 54 -6.349 -18.496 6.525 1.00 0.00 C ATOM 845 OG SER A 54 -7.607 -18.925 7.027 1.00 0.00 O ATOM 0 H SER A 54 -3.643 -19.136 5.294 1.00 0.00 H new ATOM 0 HA SER A 54 -5.754 -20.547 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.815 -17.930 7.288 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.493 -17.829 5.675 1.00 0.00 H new ATOM 0 HG SER A 54 -8.134 -18.145 7.299 1.00 0.00 H new ATOM 851 N THR A 55 -6.894 -20.884 4.476 1.00 0.00 N ATOM 852 CA THR A 55 -7.272 -21.285 3.093 1.00 0.00 C ATOM 853 C THR A 55 -7.926 -20.101 2.379 1.00 0.00 C ATOM 854 O THR A 55 -8.617 -19.304 2.981 1.00 0.00 O ATOM 855 CB THR A 55 -8.255 -22.457 3.150 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.521 -21.993 3.598 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.728 -23.521 4.115 1.00 0.00 C ATOM 0 H THR A 55 -7.479 -21.269 5.217 1.00 0.00 H new ATOM 0 HA THR A 55 -6.379 -21.589 2.547 1.00 0.00 H new ATOM 0 HB THR A 55 -8.360 -22.891 2.156 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.151 -22.743 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.429 -24.355 4.155 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.758 -23.878 3.769 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.621 -23.089 5.110 1.00 0.00 H new ATOM 865 N GLY A 56 -7.707 -19.980 1.100 1.00 0.00 N ATOM 866 CA GLY A 56 -8.309 -18.847 0.344 1.00 0.00 C ATOM 867 C GLY A 56 -7.372 -17.642 0.406 1.00 0.00 C ATOM 868 O GLY A 56 -6.466 -17.585 1.214 1.00 0.00 O ATOM 0 H GLY A 56 -7.136 -20.618 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.479 -19.137 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.280 -18.589 0.766 1.00 0.00 H new ATOM 872 N LYS A 57 -7.588 -16.680 -0.440 1.00 0.00 N ATOM 873 CA LYS A 57 -6.716 -15.472 -0.438 1.00 0.00 C ATOM 874 C LYS A 57 -6.858 -14.745 0.900 1.00 0.00 C ATOM 875 O LYS A 57 -7.922 -14.707 1.486 1.00 0.00 O ATOM 876 CB LYS A 57 -7.133 -14.537 -1.574 1.00 0.00 C ATOM 877 CG LYS A 57 -6.879 -15.223 -2.918 1.00 0.00 C ATOM 878 CD LYS A 57 -6.918 -14.181 -4.037 1.00 0.00 C ATOM 879 CE LYS A 57 -6.782 -14.881 -5.391 1.00 0.00 C ATOM 880 NZ LYS A 57 -8.135 -15.220 -5.912 1.00 0.00 N ATOM 0 H LYS A 57 -8.333 -16.675 -1.137 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.678 -15.773 -0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.188 -14.279 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.571 -13.605 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.911 -15.723 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.632 -15.991 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.853 -13.623 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.111 -13.460 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.261 -14.234 -6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.184 -15.786 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.043 -15.696 -6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.617 -15.853 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.691 -14.349 -6.027 1.00 0.00 H new ATOM 894 N CYS A 58 -5.797 -14.165 1.387 1.00 0.00 N ATOM 895 CA CYS A 58 -5.875 -13.442 2.686 1.00 0.00 C ATOM 896 C CYS A 58 -6.517 -12.072 2.467 1.00 0.00 C ATOM 897 O CYS A 58 -6.490 -11.528 1.381 1.00 0.00 O ATOM 898 CB CYS A 58 -4.467 -13.260 3.255 1.00 0.00 C ATOM 899 SG CYS A 58 -4.407 -13.920 4.939 1.00 0.00 S ATOM 0 H CYS A 58 -4.879 -14.160 0.942 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.478 -14.019 3.388 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.740 -13.773 2.626 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.198 -12.204 3.257 1.00 0.00 H new ATOM 904 N GLU A 59 -7.095 -11.509 3.491 1.00 0.00 N ATOM 905 CA GLU A 59 -7.739 -10.174 3.343 1.00 0.00 C ATOM 906 C GLU A 59 -8.081 -9.614 4.725 1.00 0.00 C ATOM 907 O GLU A 59 -7.161 -9.352 5.481 1.00 0.00 O ATOM 908 CB GLU A 59 -9.021 -10.314 2.517 1.00 0.00 C ATOM 909 CG GLU A 59 -9.582 -8.926 2.205 1.00 0.00 C ATOM 910 CD GLU A 59 -10.917 -9.069 1.471 1.00 0.00 C ATOM 911 OE1 GLU A 59 -11.339 -10.194 1.265 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.494 -8.050 1.129 1.00 0.00 O ATOM 913 OXT GLU A 59 -9.259 -9.456 5.004 1.00 0.00 O ATOM 0 H GLU A 59 -7.149 -11.916 4.425 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.053 -9.495 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.813 -10.850 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.758 -10.900 3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.721 -8.362 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.876 -8.366 1.592 1.00 0.00 H new TER 920 GLU A 59