USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 494 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 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 LYS NZ :NH3+ -147:sc= -0.49 (180deg=-1.39) USER MOD Set 2.1: A 23 LYS NZ :NH3+ -152:sc= 0.0967 (180deg=0) USER MOD Set 2.2: A 60 ASN : amide:sc= -1.26 K(o=-1.2,f=-3.7!) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= 0.0382 F(o=-1.3,f=0.038) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 3:sc= 0.0306 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -2.21! C(o=-2.2!,f=-8.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -137:sc= -1.86 (180deg=-7.64!) USER MOD Single : A 29 THR OG1 : rot 51:sc= 0.928 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0234 (180deg=-0.317) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.62 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -167:sc= 0.164 USER MOD Single : A 55 ASN :FLIP amide:sc= -1.1 F(o=-3,f=-1.1) USER MOD Single : A 56 THR OG1 : rot 84:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 13.380 6.989 0.218 1.00 0.00 N ATOM 2 CA LEU A 1 12.116 6.416 0.760 1.00 0.00 C ATOM 3 C LEU A 1 11.913 5.012 0.189 1.00 0.00 C ATOM 4 O LEU A 1 12.010 4.798 -1.002 1.00 0.00 O ATOM 5 CB LEU A 1 10.939 7.307 0.360 1.00 0.00 C ATOM 6 CG LEU A 1 9.640 6.722 0.915 1.00 0.00 C ATOM 7 CD1 LEU A 1 8.806 7.838 1.545 1.00 0.00 C ATOM 8 CD2 LEU A 1 8.846 6.076 -0.223 1.00 0.00 C ATOM 0 H1 LEU A 1 13.522 7.944 0.604 1.00 0.00 H new ATOM 0 H2 LEU A 1 14.180 6.383 0.490 1.00 0.00 H new ATOM 0 H3 LEU A 1 13.321 7.040 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 1 12.175 6.363 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.088 8.317 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.880 7.383 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 1 9.873 5.971 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.880 7.421 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.370 8.301 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 1 8.572 8.588 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 1 7.920 5.658 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 1 8.613 6.828 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.439 5.281 -0.675 1.00 0.00 H new ATOM 22 N LYS A 2 11.637 4.052 1.028 1.00 0.00 N ATOM 23 CA LYS A 2 11.433 2.664 0.525 1.00 0.00 C ATOM 24 C LYS A 2 10.297 1.999 1.304 1.00 0.00 C ATOM 25 O LYS A 2 9.999 2.368 2.423 1.00 0.00 O ATOM 26 CB LYS A 2 12.721 1.860 0.713 1.00 0.00 C ATOM 27 CG LYS A 2 13.923 2.718 0.312 1.00 0.00 C ATOM 28 CD LYS A 2 15.201 2.109 0.890 1.00 0.00 C ATOM 29 CE LYS A 2 16.312 2.158 -0.161 1.00 0.00 C ATOM 30 NZ LYS A 2 17.103 0.896 -0.106 1.00 0.00 N ATOM 0 H LYS A 2 11.544 4.168 2.037 1.00 0.00 H new ATOM 0 HA LYS A 2 11.175 2.696 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.817 1.545 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.689 0.955 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.995 2.777 -0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.795 3.736 0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.506 2.656 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.020 1.078 1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.882 2.288 -1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.961 3.015 0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.858 0.928 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.524 0.791 0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.479 0.087 -0.299 1.00 0.00 H new ATOM 44 N CYS A 3 9.661 1.019 0.722 1.00 0.00 N ATOM 45 CA CYS A 3 8.543 0.330 1.433 1.00 0.00 C ATOM 46 C CYS A 3 8.439 -1.110 0.927 1.00 0.00 C ATOM 47 O CYS A 3 9.294 -1.588 0.210 1.00 0.00 O ATOM 48 CB CYS A 3 7.202 1.051 1.186 1.00 0.00 C ATOM 49 SG CYS A 3 7.427 2.514 0.134 1.00 0.00 S ATOM 0 H CYS A 3 9.865 0.665 -0.213 1.00 0.00 H new ATOM 0 HA CYS A 3 8.752 0.344 2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.499 0.365 0.714 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.765 1.349 2.139 1.00 0.00 H new ATOM 54 N ASN A 4 7.396 -1.804 1.292 1.00 0.00 N ATOM 55 CA ASN A 4 7.241 -3.212 0.827 1.00 0.00 C ATOM 56 C ASN A 4 6.281 -3.242 -0.362 1.00 0.00 C ATOM 57 O ASN A 4 5.585 -2.283 -0.629 1.00 0.00 O ATOM 58 CB ASN A 4 6.678 -4.066 1.965 1.00 0.00 C ATOM 59 CG ASN A 4 7.800 -4.912 2.571 1.00 0.00 C ATOM 60 OD1 ASN A 4 8.062 -6.086 2.066 1.00 0.00 O flip ATOM 61 ND2 ASN A 4 8.445 -4.499 3.514 1.00 0.00 N flip ATOM 0 H ASN A 4 6.646 -1.458 1.891 1.00 0.00 H new ATOM 0 HA ASN A 4 8.210 -3.610 0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.237 -3.427 2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.883 -4.711 1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.240 -3.581 3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.191 -5.070 3.911 1.00 0.00 H new ATOM 68 N LYS A 5 6.239 -4.326 -1.089 1.00 0.00 N ATOM 69 CA LYS A 5 5.321 -4.385 -2.261 1.00 0.00 C ATOM 70 C LYS A 5 4.793 -5.808 -2.454 1.00 0.00 C ATOM 71 O LYS A 5 5.361 -6.765 -1.966 1.00 0.00 O ATOM 72 CB LYS A 5 6.080 -3.952 -3.516 1.00 0.00 C ATOM 73 CG LYS A 5 5.155 -3.131 -4.415 1.00 0.00 C ATOM 74 CD LYS A 5 5.994 -2.231 -5.323 1.00 0.00 C ATOM 75 CE LYS A 5 5.134 -1.735 -6.486 1.00 0.00 C ATOM 76 NZ LYS A 5 5.871 -0.676 -7.232 1.00 0.00 N ATOM 0 H LYS A 5 6.795 -5.165 -0.924 1.00 0.00 H new ATOM 0 HA LYS A 5 4.478 -3.717 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.954 -3.362 -3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.444 -4.827 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.533 -3.794 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.482 -2.526 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.381 -1.384 -4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.855 -2.781 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.892 -2.563 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.189 -1.341 -6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.287 -0.338 -8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.080 0.117 -6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.761 -1.067 -7.601 1.00 0.00 H new ATOM 90 N LEU A 6 3.712 -5.952 -3.176 1.00 0.00 N ATOM 91 CA LEU A 6 3.149 -7.310 -3.416 1.00 0.00 C ATOM 92 C LEU A 6 4.008 -8.015 -4.466 1.00 0.00 C ATOM 93 O LEU A 6 4.101 -9.226 -4.499 1.00 0.00 O ATOM 94 CB LEU A 6 1.707 -7.188 -3.920 1.00 0.00 C ATOM 95 CG LEU A 6 1.668 -6.287 -5.156 1.00 0.00 C ATOM 96 CD1 LEU A 6 0.798 -6.936 -6.234 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.079 -4.927 -4.777 1.00 0.00 C ATOM 0 H LEU A 6 3.196 -5.186 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 6 3.150 -7.885 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.312 -8.174 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.071 -6.775 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 6 2.680 -6.152 -5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.770 -6.294 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.217 -7.905 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.214 -7.072 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.051 -4.285 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.067 -5.062 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.698 -4.463 -4.009 1.00 0.00 H new ATOM 109 N VAL A 7 4.650 -7.255 -5.313 1.00 0.00 N ATOM 110 CA VAL A 7 5.527 -7.857 -6.356 1.00 0.00 C ATOM 111 C VAL A 7 6.347 -8.979 -5.708 1.00 0.00 C ATOM 112 O VAL A 7 6.674 -8.899 -4.541 1.00 0.00 O ATOM 113 CB VAL A 7 6.456 -6.756 -6.897 1.00 0.00 C ATOM 114 CG1 VAL A 7 7.592 -7.360 -7.726 1.00 0.00 C ATOM 115 CG2 VAL A 7 5.646 -5.802 -7.778 1.00 0.00 C ATOM 0 H VAL A 7 4.603 -6.236 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 7 4.941 -8.270 -7.177 1.00 0.00 H new ATOM 0 HB VAL A 7 6.887 -6.219 -6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.235 -6.562 -8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.177 -8.037 -7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.174 -7.911 -8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.300 -5.020 -8.164 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.212 -6.356 -8.611 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.849 -5.350 -7.188 1.00 0.00 H new ATOM 125 N PRO A 8 6.656 -9.995 -6.475 1.00 0.00 N ATOM 126 CA PRO A 8 7.435 -11.140 -5.971 1.00 0.00 C ATOM 127 C PRO A 8 8.878 -10.734 -5.646 1.00 0.00 C ATOM 128 O PRO A 8 9.792 -10.926 -6.424 1.00 0.00 O ATOM 129 CB PRO A 8 7.353 -12.169 -7.105 1.00 0.00 C ATOM 130 CG PRO A 8 6.987 -11.380 -8.381 1.00 0.00 C ATOM 131 CD PRO A 8 6.272 -10.102 -7.902 1.00 0.00 C ATOM 0 HA PRO A 8 7.048 -11.540 -5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.303 -12.688 -7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.601 -12.928 -6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.879 -11.135 -8.957 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.340 -11.969 -9.031 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.593 -9.228 -8.469 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.191 -10.180 -8.021 1.00 0.00 H new ATOM 139 N LEU A 9 9.071 -10.187 -4.474 1.00 0.00 N ATOM 140 CA LEU A 9 10.429 -9.764 -4.027 1.00 0.00 C ATOM 141 C LEU A 9 10.343 -9.377 -2.540 1.00 0.00 C ATOM 142 O LEU A 9 10.184 -10.230 -1.689 1.00 0.00 O ATOM 143 CB LEU A 9 10.926 -8.582 -4.872 1.00 0.00 C ATOM 144 CG LEU A 9 9.740 -7.796 -5.445 1.00 0.00 C ATOM 145 CD1 LEU A 9 8.766 -7.404 -4.329 1.00 0.00 C ATOM 146 CD2 LEU A 9 10.262 -6.528 -6.123 1.00 0.00 C ATOM 0 H LEU A 9 8.329 -10.013 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 9 11.140 -10.580 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 9 11.544 -7.925 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.555 -8.947 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 9 9.216 -8.423 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.931 -6.847 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.391 -8.303 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.282 -6.782 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.425 -5.964 -6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.789 -5.915 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.945 -6.800 -6.928 1.00 0.00 H new ATOM 158 N PHE A 10 10.424 -8.113 -2.209 1.00 0.00 N ATOM 159 CA PHE A 10 10.320 -7.721 -0.776 1.00 0.00 C ATOM 160 C PHE A 10 9.948 -6.238 -0.670 1.00 0.00 C ATOM 161 O PHE A 10 8.811 -5.889 -0.406 1.00 0.00 O ATOM 162 CB PHE A 10 11.656 -7.972 -0.073 1.00 0.00 C ATOM 163 CG PHE A 10 11.407 -8.666 1.245 1.00 0.00 C ATOM 164 CD1 PHE A 10 10.491 -9.722 1.317 1.00 0.00 C ATOM 165 CD2 PHE A 10 12.091 -8.253 2.395 1.00 0.00 C ATOM 166 CE1 PHE A 10 10.258 -10.365 2.538 1.00 0.00 C ATOM 167 CE2 PHE A 10 11.858 -8.897 3.617 1.00 0.00 C ATOM 168 CZ PHE A 10 10.942 -9.953 3.688 1.00 0.00 C ATOM 0 H PHE A 10 10.557 -7.343 -2.865 1.00 0.00 H new ATOM 0 HA PHE A 10 9.545 -8.319 -0.296 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.301 -8.584 -0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.175 -7.028 0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.964 -10.041 0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.798 -7.438 2.340 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.550 -11.179 2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.385 -8.579 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.763 -10.450 4.630 1.00 0.00 H new ATOM 178 N TYR A 11 10.895 -5.361 -0.865 1.00 0.00 N ATOM 179 CA TYR A 11 10.591 -3.907 -0.762 1.00 0.00 C ATOM 180 C TYR A 11 11.194 -3.158 -1.951 1.00 0.00 C ATOM 181 O TYR A 11 12.180 -3.573 -2.528 1.00 0.00 O ATOM 182 CB TYR A 11 11.187 -3.366 0.539 1.00 0.00 C ATOM 183 CG TYR A 11 12.571 -3.938 0.729 1.00 0.00 C ATOM 184 CD1 TYR A 11 13.629 -3.486 -0.068 1.00 0.00 C ATOM 185 CD2 TYR A 11 12.797 -4.922 1.700 1.00 0.00 C ATOM 186 CE1 TYR A 11 14.913 -4.016 0.106 1.00 0.00 C ATOM 187 CE2 TYR A 11 14.081 -5.453 1.874 1.00 0.00 C ATOM 188 CZ TYR A 11 15.139 -5.000 1.076 1.00 0.00 C ATOM 189 OH TYR A 11 16.405 -5.523 1.246 1.00 0.00 O ATOM 0 H TYR A 11 11.863 -5.589 -1.091 1.00 0.00 H new ATOM 0 HA TYR A 11 9.511 -3.762 -0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.232 -2.277 0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.551 -3.634 1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.455 -2.728 -0.817 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.981 -5.271 2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 11 15.729 -3.666 -0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 11 14.255 -6.211 2.623 1.00 0.00 H new ATOM 0 HH TYR A 11 16.389 -6.194 1.960 1.00 0.00 H new ATOM 199 N LYS A 12 10.607 -2.050 -2.319 1.00 0.00 N ATOM 200 CA LYS A 12 11.141 -1.264 -3.467 1.00 0.00 C ATOM 201 C LYS A 12 11.386 0.179 -3.023 1.00 0.00 C ATOM 202 O LYS A 12 11.166 0.535 -1.880 1.00 0.00 O ATOM 203 CB LYS A 12 10.126 -1.277 -4.612 1.00 0.00 C ATOM 204 CG LYS A 12 10.846 -1.574 -5.929 1.00 0.00 C ATOM 205 CD LYS A 12 9.995 -1.079 -7.100 1.00 0.00 C ATOM 206 CE LYS A 12 10.066 0.448 -7.173 1.00 0.00 C ATOM 207 NZ LYS A 12 11.224 0.852 -8.019 1.00 0.00 N ATOM 0 H LYS A 12 9.779 -1.656 -1.872 1.00 0.00 H new ATOM 0 HA LYS A 12 12.077 -1.707 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.361 -2.031 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.617 -0.315 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.820 -1.085 -5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.026 -2.645 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.352 -1.515 -8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.961 -1.400 -6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.141 0.846 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.170 0.866 -6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.272 1.890 -8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.103 0.484 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.106 0.465 -8.977 1.00 0.00 H new ATOM 221 N THR A 13 11.836 1.015 -3.920 1.00 0.00 N ATOM 222 CA THR A 13 12.093 2.434 -3.551 1.00 0.00 C ATOM 223 C THR A 13 11.130 3.346 -4.316 1.00 0.00 C ATOM 224 O THR A 13 10.775 3.081 -5.448 1.00 0.00 O ATOM 225 CB THR A 13 13.542 2.803 -3.901 1.00 0.00 C ATOM 226 OG1 THR A 13 13.938 3.926 -3.127 1.00 0.00 O ATOM 227 CG2 THR A 13 13.657 3.145 -5.391 1.00 0.00 C ATOM 0 H THR A 13 12.036 0.775 -4.891 1.00 0.00 H new ATOM 0 HA THR A 13 11.937 2.563 -2.480 1.00 0.00 H new ATOM 0 HB THR A 13 14.189 1.954 -3.683 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.210 4.179 -2.521 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.689 3.405 -5.626 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.355 2.283 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.009 3.990 -5.621 1.00 0.00 H new ATOM 235 N CYS A 14 10.718 4.424 -3.714 1.00 0.00 N ATOM 236 CA CYS A 14 9.792 5.358 -4.412 1.00 0.00 C ATOM 237 C CYS A 14 10.173 6.799 -4.061 1.00 0.00 C ATOM 238 O CYS A 14 9.357 7.545 -3.556 1.00 0.00 O ATOM 239 CB CYS A 14 8.332 5.104 -3.989 1.00 0.00 C ATOM 240 SG CYS A 14 8.220 3.733 -2.805 1.00 0.00 S ATOM 0 H CYS A 14 10.982 4.700 -2.768 1.00 0.00 H new ATOM 0 HA CYS A 14 9.877 5.193 -5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 14 7.918 6.008 -3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.730 4.878 -4.869 1.00 0.00 H new ATOM 245 N PRO A 15 11.405 7.152 -4.341 1.00 0.00 N ATOM 246 CA PRO A 15 11.922 8.504 -4.066 1.00 0.00 C ATOM 247 C PRO A 15 11.434 9.480 -5.135 1.00 0.00 C ATOM 248 O PRO A 15 10.818 10.486 -4.843 1.00 0.00 O ATOM 249 CB PRO A 15 13.441 8.332 -4.141 1.00 0.00 C ATOM 250 CG PRO A 15 13.693 7.071 -5.000 1.00 0.00 C ATOM 251 CD PRO A 15 12.395 6.242 -4.959 1.00 0.00 C ATOM 0 HA PRO A 15 11.592 8.905 -3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.910 9.208 -4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.869 8.216 -3.145 1.00 0.00 H new ATOM 0 HG2 PRO A 15 13.946 7.345 -6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.532 6.496 -4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 15 12.086 5.936 -5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 15 12.521 5.332 -4.372 1.00 0.00 H new ATOM 259 N ALA A 16 11.705 9.185 -6.373 1.00 0.00 N ATOM 260 CA ALA A 16 11.260 10.085 -7.472 1.00 0.00 C ATOM 261 C ALA A 16 9.834 9.715 -7.882 1.00 0.00 C ATOM 262 O ALA A 16 9.058 10.555 -8.295 1.00 0.00 O ATOM 263 CB ALA A 16 12.197 9.926 -8.671 1.00 0.00 C ATOM 0 H ALA A 16 12.218 8.356 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 16 11.283 11.120 -7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.872 10.585 -9.477 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.213 10.188 -8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.174 8.892 -9.016 1.00 0.00 H new ATOM 269 N GLY A 17 9.480 8.464 -7.769 1.00 0.00 N ATOM 270 CA GLY A 17 8.102 8.041 -8.151 1.00 0.00 C ATOM 271 C GLY A 17 7.083 8.724 -7.234 1.00 0.00 C ATOM 272 O GLY A 17 6.249 9.488 -7.678 1.00 0.00 O ATOM 0 H GLY A 17 10.085 7.716 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.905 8.304 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.008 6.958 -8.073 1.00 0.00 H new ATOM 276 N LYS A 18 7.144 8.454 -5.958 1.00 0.00 N ATOM 277 CA LYS A 18 6.180 9.088 -5.015 1.00 0.00 C ATOM 278 C LYS A 18 6.903 9.455 -3.718 1.00 0.00 C ATOM 279 O LYS A 18 8.115 9.535 -3.673 1.00 0.00 O ATOM 280 CB LYS A 18 5.044 8.110 -4.707 1.00 0.00 C ATOM 281 CG LYS A 18 4.515 7.515 -6.013 1.00 0.00 C ATOM 282 CD LYS A 18 3.623 8.539 -6.717 1.00 0.00 C ATOM 283 CE LYS A 18 3.654 8.291 -8.226 1.00 0.00 C ATOM 284 NZ LYS A 18 2.424 7.555 -8.633 1.00 0.00 N ATOM 0 H LYS A 18 7.820 7.822 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 18 5.768 9.989 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.401 7.316 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.241 8.623 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.346 7.235 -6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.950 6.605 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.601 8.463 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.967 9.549 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.717 9.239 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.540 7.715 -8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.444 7.386 -9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.383 6.644 -8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.585 8.121 -8.392 1.00 0.00 H new ATOM 298 N ASN A 19 6.169 9.683 -2.664 1.00 0.00 N ATOM 299 CA ASN A 19 6.817 10.049 -1.375 1.00 0.00 C ATOM 300 C ASN A 19 6.116 9.332 -0.216 1.00 0.00 C ATOM 301 O ASN A 19 6.421 9.559 0.938 1.00 0.00 O ATOM 302 CB ASN A 19 6.716 11.563 -1.173 1.00 0.00 C ATOM 303 CG ASN A 19 5.304 12.032 -1.535 1.00 0.00 C ATOM 304 OD1 ASN A 19 4.334 11.369 -1.225 1.00 0.00 O ATOM 305 ND2 ASN A 19 5.146 13.154 -2.184 1.00 0.00 N ATOM 0 H ASN A 19 5.151 9.632 -2.640 1.00 0.00 H new ATOM 0 HA ASN A 19 7.864 9.748 -1.399 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.942 11.819 -0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.451 12.074 -1.795 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.209 13.473 -2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.960 13.711 -2.445 1.00 0.00 H new ATOM 312 N LEU A 20 5.179 8.469 -0.507 1.00 0.00 N ATOM 313 CA LEU A 20 4.467 7.751 0.589 1.00 0.00 C ATOM 314 C LEU A 20 4.266 6.283 0.201 1.00 0.00 C ATOM 315 O LEU A 20 4.463 5.897 -0.934 1.00 0.00 O ATOM 316 CB LEU A 20 3.103 8.406 0.819 1.00 0.00 C ATOM 317 CG LEU A 20 3.048 8.999 2.228 1.00 0.00 C ATOM 318 CD1 LEU A 20 2.491 10.422 2.158 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.135 8.138 3.103 1.00 0.00 C ATOM 0 H LEU A 20 4.877 8.231 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 20 5.061 7.804 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.934 9.187 0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.309 7.670 0.692 1.00 0.00 H new ATOM 0 HG LEU A 20 4.050 9.021 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.451 10.847 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.137 11.035 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.487 10.399 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.093 8.557 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.133 8.120 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.528 7.122 3.150 1.00 0.00 H new ATOM 331 N CYS A 21 3.866 5.464 1.136 1.00 0.00 N ATOM 332 CA CYS A 21 3.642 4.026 0.826 1.00 0.00 C ATOM 333 C CYS A 21 2.306 3.592 1.416 1.00 0.00 C ATOM 334 O CYS A 21 2.129 3.565 2.617 1.00 0.00 O ATOM 335 CB CYS A 21 4.771 3.185 1.426 1.00 0.00 C ATOM 336 SG CYS A 21 6.363 3.963 1.059 1.00 0.00 S ATOM 0 H CYS A 21 3.685 5.731 2.103 1.00 0.00 H new ATOM 0 HA CYS A 21 3.630 3.882 -0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.638 3.095 2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.744 2.175 1.016 1.00 0.00 H new ATOM 341 N TYR A 22 1.354 3.263 0.587 1.00 0.00 N ATOM 342 CA TYR A 22 0.035 2.856 1.129 1.00 0.00 C ATOM 343 C TYR A 22 -0.328 1.443 0.681 1.00 0.00 C ATOM 344 O TYR A 22 0.285 0.872 -0.197 1.00 0.00 O ATOM 345 CB TYR A 22 -1.040 3.850 0.667 1.00 0.00 C ATOM 346 CG TYR A 22 -1.491 3.514 -0.737 1.00 0.00 C ATOM 347 CD1 TYR A 22 -0.639 3.745 -1.823 1.00 0.00 C ATOM 348 CD2 TYR A 22 -2.764 2.970 -0.949 1.00 0.00 C ATOM 349 CE1 TYR A 22 -1.061 3.433 -3.122 1.00 0.00 C ATOM 350 CE2 TYR A 22 -3.185 2.658 -2.247 1.00 0.00 C ATOM 351 CZ TYR A 22 -2.333 2.889 -3.333 1.00 0.00 C ATOM 352 OH TYR A 22 -2.749 2.581 -4.611 1.00 0.00 O ATOM 0 H TYR A 22 1.434 3.259 -0.430 1.00 0.00 H new ATOM 0 HA TYR A 22 0.090 2.861 2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.891 3.819 1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.644 4.865 0.697 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.343 4.164 -1.660 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.421 2.791 -0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.405 3.612 -3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.167 2.239 -2.410 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.656 2.211 -4.580 1.00 0.00 H new ATOM 362 N LYS A 23 -1.336 0.886 1.288 1.00 0.00 N ATOM 363 CA LYS A 23 -1.773 -0.484 0.923 1.00 0.00 C ATOM 364 C LYS A 23 -3.254 -0.442 0.554 1.00 0.00 C ATOM 365 O LYS A 23 -3.970 0.464 0.934 1.00 0.00 O ATOM 366 CB LYS A 23 -1.564 -1.420 2.116 1.00 0.00 C ATOM 367 CG LYS A 23 -0.083 -1.429 2.503 1.00 0.00 C ATOM 368 CD LYS A 23 0.104 -0.699 3.834 1.00 0.00 C ATOM 369 CE LYS A 23 -0.125 -1.678 4.987 1.00 0.00 C ATOM 370 NZ LYS A 23 1.179 -1.997 5.635 1.00 0.00 N ATOM 0 H LYS A 23 -1.880 1.328 2.029 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.191 -0.850 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.170 -1.091 2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.891 -2.428 1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.275 -2.455 2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.509 -0.946 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.108 -0.279 3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.595 0.134 3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.809 -1.244 5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.592 -2.591 4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.134 -2.947 6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.937 -1.969 4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.377 -1.298 6.379 1.00 0.00 H new ATOM 384 N MET A 24 -3.720 -1.411 -0.180 1.00 0.00 N ATOM 385 CA MET A 24 -5.155 -1.422 -0.570 1.00 0.00 C ATOM 386 C MET A 24 -5.763 -2.766 -0.189 1.00 0.00 C ATOM 387 O MET A 24 -5.477 -3.783 -0.796 1.00 0.00 O ATOM 388 CB MET A 24 -5.285 -1.212 -2.080 1.00 0.00 C ATOM 389 CG MET A 24 -6.132 0.033 -2.350 1.00 0.00 C ATOM 390 SD MET A 24 -6.546 0.110 -4.110 1.00 0.00 S ATOM 391 CE MET A 24 -8.260 -0.446 -3.961 1.00 0.00 C ATOM 0 H MET A 24 -3.169 -2.196 -0.527 1.00 0.00 H new ATOM 0 HA MET A 24 -5.679 -0.618 -0.053 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.298 -1.098 -2.528 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.746 -2.086 -2.541 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.043 0.003 -1.752 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.586 0.929 -2.054 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.720 -0.474 -4.949 1.00 0.00 H new ATOM 0 HE2 MET A 24 -8.282 -1.443 -3.521 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.812 0.244 -3.323 1.00 0.00 H new ATOM 401 N PHE A 25 -6.596 -2.777 0.816 1.00 0.00 N ATOM 402 CA PHE A 25 -7.229 -4.048 1.255 1.00 0.00 C ATOM 403 C PHE A 25 -8.639 -4.137 0.674 1.00 0.00 C ATOM 404 O PHE A 25 -9.167 -3.178 0.145 1.00 0.00 O ATOM 405 CB PHE A 25 -7.314 -4.075 2.784 1.00 0.00 C ATOM 406 CG PHE A 25 -5.981 -4.474 3.372 1.00 0.00 C ATOM 407 CD1 PHE A 25 -4.787 -4.017 2.797 1.00 0.00 C ATOM 408 CD2 PHE A 25 -5.939 -5.301 4.502 1.00 0.00 C ATOM 409 CE1 PHE A 25 -3.556 -4.387 3.352 1.00 0.00 C ATOM 410 CE2 PHE A 25 -4.708 -5.671 5.056 1.00 0.00 C ATOM 411 CZ PHE A 25 -3.517 -5.214 4.481 1.00 0.00 C ATOM 0 H PHE A 25 -6.865 -1.953 1.354 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.632 -4.890 0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.605 -3.093 3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -8.085 -4.778 3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.817 -3.379 1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.858 -5.654 4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.636 -4.034 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.677 -6.309 5.927 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.567 -5.499 4.908 1.00 0.00 H new ATOM 421 N MET A 26 -9.252 -5.281 0.772 1.00 0.00 N ATOM 422 CA MET A 26 -10.628 -5.440 0.229 1.00 0.00 C ATOM 423 C MET A 26 -11.512 -6.107 1.282 1.00 0.00 C ATOM 424 O MET A 26 -11.182 -7.150 1.818 1.00 0.00 O ATOM 425 CB MET A 26 -10.583 -6.310 -1.029 1.00 0.00 C ATOM 426 CG MET A 26 -9.900 -5.538 -2.159 1.00 0.00 C ATOM 427 SD MET A 26 -10.059 -6.463 -3.706 1.00 0.00 S ATOM 428 CE MET A 26 -8.804 -7.717 -3.349 1.00 0.00 C ATOM 0 H MET A 26 -8.858 -6.116 1.206 1.00 0.00 H new ATOM 0 HA MET A 26 -11.037 -4.462 -0.024 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.041 -7.234 -0.826 1.00 0.00 H new ATOM 0 HB3 MET A 26 -11.593 -6.592 -1.326 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.352 -4.552 -2.265 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.847 -5.382 -1.923 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.194 -7.884 -4.237 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.169 -7.374 -2.532 1.00 0.00 H new ATOM 0 HE3 MET A 26 -9.292 -8.649 -3.063 1.00 0.00 H new ATOM 438 N VAL A 27 -12.633 -5.509 1.583 1.00 0.00 N ATOM 439 CA VAL A 27 -13.547 -6.097 2.601 1.00 0.00 C ATOM 440 C VAL A 27 -14.698 -6.819 1.897 1.00 0.00 C ATOM 441 O VAL A 27 -15.793 -6.913 2.415 1.00 0.00 O ATOM 442 CB VAL A 27 -14.111 -4.983 3.485 1.00 0.00 C ATOM 443 CG1 VAL A 27 -14.612 -5.578 4.802 1.00 0.00 C ATOM 444 CG2 VAL A 27 -13.015 -3.956 3.775 1.00 0.00 C ATOM 0 H VAL A 27 -12.955 -4.636 1.166 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.995 -6.806 3.217 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.938 -4.496 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.014 -4.783 5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.394 -6.309 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.786 -6.067 5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.417 -3.163 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.187 -4.443 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.659 -3.529 2.837 1.00 0.00 H new ATOM 454 N ALA A 28 -14.460 -7.332 0.720 1.00 0.00 N ATOM 455 CA ALA A 28 -15.544 -8.049 -0.012 1.00 0.00 C ATOM 456 C ALA A 28 -16.251 -9.010 0.946 1.00 0.00 C ATOM 457 O ALA A 28 -17.439 -9.242 0.845 1.00 0.00 O ATOM 458 CB ALA A 28 -14.937 -8.838 -1.173 1.00 0.00 C ATOM 0 H ALA A 28 -13.564 -7.286 0.234 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.263 -7.328 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.728 -9.363 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -14.430 -8.153 -1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.220 -9.561 -0.786 1.00 0.00 H new ATOM 464 N THR A 29 -15.527 -9.568 1.877 1.00 0.00 N ATOM 465 CA THR A 29 -16.149 -10.512 2.847 1.00 0.00 C ATOM 466 C THR A 29 -15.039 -11.277 3.586 1.00 0.00 C ATOM 467 O THR A 29 -14.993 -11.267 4.800 1.00 0.00 O ATOM 468 CB THR A 29 -17.094 -11.472 2.096 1.00 0.00 C ATOM 469 OG1 THR A 29 -18.411 -10.942 2.130 1.00 0.00 O ATOM 470 CG2 THR A 29 -17.096 -12.861 2.748 1.00 0.00 C ATOM 0 H THR A 29 -14.528 -9.410 2.008 1.00 0.00 H new ATOM 0 HA THR A 29 -16.739 -9.967 3.584 1.00 0.00 H new ATOM 0 HB THR A 29 -16.747 -11.571 1.068 1.00 0.00 H new ATOM 0 HG1 THR A 29 -18.396 -10.008 1.833 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.770 -13.519 2.200 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.088 -13.275 2.726 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.432 -12.777 3.782 1.00 0.00 H new ATOM 478 N PRO A 30 -14.172 -11.910 2.834 1.00 0.00 N ATOM 479 CA PRO A 30 -13.048 -12.675 3.401 1.00 0.00 C ATOM 480 C PRO A 30 -11.934 -11.724 3.847 1.00 0.00 C ATOM 481 O PRO A 30 -11.020 -12.108 4.550 1.00 0.00 O ATOM 482 CB PRO A 30 -12.581 -13.549 2.235 1.00 0.00 C ATOM 483 CG PRO A 30 -13.063 -12.844 0.946 1.00 0.00 C ATOM 484 CD PRO A 30 -14.227 -11.923 1.357 1.00 0.00 C ATOM 0 HA PRO A 30 -13.325 -13.259 4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.496 -13.655 2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.999 -14.553 2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.255 -12.269 0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.389 -13.573 0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.107 -10.921 0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.183 -12.304 0.997 1.00 0.00 H new ATOM 492 N LYS A 31 -12.002 -10.484 3.442 1.00 0.00 N ATOM 493 CA LYS A 31 -10.946 -9.510 3.840 1.00 0.00 C ATOM 494 C LYS A 31 -9.598 -9.974 3.288 1.00 0.00 C ATOM 495 O LYS A 31 -9.149 -11.069 3.566 1.00 0.00 O ATOM 496 CB LYS A 31 -10.875 -9.431 5.367 1.00 0.00 C ATOM 497 CG LYS A 31 -11.758 -8.283 5.860 1.00 0.00 C ATOM 498 CD LYS A 31 -12.662 -8.782 6.989 1.00 0.00 C ATOM 499 CE LYS A 31 -13.676 -7.695 7.348 1.00 0.00 C ATOM 500 NZ LYS A 31 -12.956 -6.492 7.854 1.00 0.00 N ATOM 0 H LYS A 31 -12.743 -10.104 2.853 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.185 -8.525 3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.205 -10.372 5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.845 -9.274 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.138 -7.459 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.363 -7.897 5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.180 -9.690 6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.063 -9.038 7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.271 -7.434 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.368 -8.064 8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.630 -5.859 8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.221 -6.786 8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.515 -5.991 7.057 1.00 0.00 H new ATOM 514 N VAL A 32 -8.947 -9.157 2.503 1.00 0.00 N ATOM 515 CA VAL A 32 -7.629 -9.571 1.938 1.00 0.00 C ATOM 516 C VAL A 32 -6.967 -8.378 1.238 1.00 0.00 C ATOM 517 O VAL A 32 -7.630 -7.615 0.568 1.00 0.00 O ATOM 518 CB VAL A 32 -7.853 -10.695 0.923 1.00 0.00 C ATOM 519 CG1 VAL A 32 -8.547 -10.128 -0.317 1.00 0.00 C ATOM 520 CG2 VAL A 32 -6.507 -11.297 0.516 1.00 0.00 C ATOM 0 H VAL A 32 -9.267 -8.228 2.230 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.981 -9.919 2.742 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.476 -11.468 1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.708 -10.927 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.507 -9.698 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.921 -9.355 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.670 -12.097 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.883 -10.524 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.007 -11.700 1.397 1.00 0.00 H new ATOM 530 N PRO A 33 -5.672 -8.259 1.405 1.00 0.00 N ATOM 531 CA PRO A 33 -4.893 -7.169 0.789 1.00 0.00 C ATOM 532 C PRO A 33 -4.698 -7.447 -0.702 1.00 0.00 C ATOM 533 O PRO A 33 -4.795 -8.575 -1.143 1.00 0.00 O ATOM 534 CB PRO A 33 -3.561 -7.207 1.542 1.00 0.00 C ATOM 535 CG PRO A 33 -3.437 -8.628 2.138 1.00 0.00 C ATOM 536 CD PRO A 33 -4.866 -9.198 2.212 1.00 0.00 C ATOM 0 HA PRO A 33 -5.377 -6.195 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.729 -6.993 0.871 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.538 -6.453 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.801 -9.256 1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.981 -8.595 3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.913 -10.210 1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.223 -9.247 3.241 1.00 0.00 H new ATOM 544 N VAL A 34 -4.442 -6.438 -1.493 1.00 0.00 N ATOM 545 CA VAL A 34 -4.269 -6.694 -2.952 1.00 0.00 C ATOM 546 C VAL A 34 -3.490 -5.568 -3.648 1.00 0.00 C ATOM 547 O VAL A 34 -2.886 -5.790 -4.679 1.00 0.00 O ATOM 548 CB VAL A 34 -5.647 -6.825 -3.602 1.00 0.00 C ATOM 549 CG1 VAL A 34 -6.332 -5.458 -3.626 1.00 0.00 C ATOM 550 CG2 VAL A 34 -5.487 -7.341 -5.034 1.00 0.00 C ATOM 0 H VAL A 34 -4.347 -5.466 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.696 -7.614 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.255 -7.525 -3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.314 -5.551 -4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.445 -5.090 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.725 -4.757 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.468 -7.435 -5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.880 -6.641 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.999 -8.315 -5.017 1.00 0.00 H new ATOM 560 N LYS A 35 -3.499 -4.364 -3.137 1.00 0.00 N ATOM 561 CA LYS A 35 -2.752 -3.280 -3.851 1.00 0.00 C ATOM 562 C LYS A 35 -1.854 -2.491 -2.889 1.00 0.00 C ATOM 563 O LYS A 35 -2.286 -1.556 -2.249 1.00 0.00 O ATOM 564 CB LYS A 35 -3.751 -2.326 -4.510 1.00 0.00 C ATOM 565 CG LYS A 35 -3.911 -2.692 -5.987 1.00 0.00 C ATOM 566 CD LYS A 35 -3.179 -1.662 -6.849 1.00 0.00 C ATOM 567 CE LYS A 35 -1.669 -1.834 -6.677 1.00 0.00 C ATOM 568 NZ LYS A 35 -1.034 -0.499 -6.492 1.00 0.00 N ATOM 0 H LYS A 35 -3.977 -4.086 -2.280 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.117 -3.744 -4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.714 -2.385 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.404 -1.297 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.509 -3.688 -6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.968 -2.720 -6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.453 -1.788 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.476 -0.654 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.461 -2.470 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.247 -2.331 -7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.007 -0.616 -6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.222 0.093 -7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.429 -0.041 -5.646 1.00 0.00 H new ATOM 582 N ARG A 36 -0.598 -2.844 -2.805 1.00 0.00 N ATOM 583 CA ARG A 36 0.330 -2.100 -1.902 1.00 0.00 C ATOM 584 C ARG A 36 1.459 -1.479 -2.731 1.00 0.00 C ATOM 585 O ARG A 36 2.169 -2.164 -3.440 1.00 0.00 O ATOM 586 CB ARG A 36 0.925 -3.062 -0.871 1.00 0.00 C ATOM 587 CG ARG A 36 -0.097 -4.148 -0.532 1.00 0.00 C ATOM 588 CD ARG A 36 0.520 -5.137 0.459 1.00 0.00 C ATOM 589 NE ARG A 36 -0.510 -6.126 0.879 1.00 0.00 N ATOM 590 CZ ARG A 36 -0.268 -7.404 0.777 1.00 0.00 C ATOM 591 NH1 ARG A 36 -0.363 -7.995 -0.383 1.00 0.00 N ATOM 592 NH2 ARG A 36 0.072 -8.091 1.833 1.00 0.00 N ATOM 0 H ARG A 36 -0.175 -3.615 -3.322 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.220 -1.313 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.835 -3.515 -1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.204 -2.517 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.993 -3.698 -0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.404 -4.669 -1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.365 -5.649 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.904 -4.605 1.329 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.405 -5.804 1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.626 -7.458 -1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.174 -8.994 -0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.149 -7.629 2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.261 -9.090 1.752 1.00 0.00 H new ATOM 606 N GLY A 37 1.630 -0.185 -2.651 1.00 0.00 N ATOM 607 CA GLY A 37 2.713 0.472 -3.439 1.00 0.00 C ATOM 608 C GLY A 37 3.029 1.844 -2.841 1.00 0.00 C ATOM 609 O GLY A 37 2.798 2.093 -1.674 1.00 0.00 O ATOM 0 H GLY A 37 1.068 0.443 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.607 -0.151 -3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.404 0.581 -4.479 1.00 0.00 H new ATOM 613 N CYS A 38 3.558 2.738 -3.634 1.00 0.00 N ATOM 614 CA CYS A 38 3.892 4.095 -3.116 1.00 0.00 C ATOM 615 C CYS A 38 2.985 5.137 -3.772 1.00 0.00 C ATOM 616 O CYS A 38 2.750 5.111 -4.964 1.00 0.00 O ATOM 617 CB CYS A 38 5.349 4.422 -3.430 1.00 0.00 C ATOM 618 SG CYS A 38 6.377 2.968 -3.111 1.00 0.00 S ATOM 0 H CYS A 38 3.773 2.586 -4.619 1.00 0.00 H new ATOM 0 HA CYS A 38 3.741 4.111 -2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.448 4.729 -4.471 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.685 5.259 -2.818 1.00 0.00 H new ATOM 623 N ILE A 39 2.474 6.055 -2.998 1.00 0.00 N ATOM 624 CA ILE A 39 1.582 7.102 -3.565 1.00 0.00 C ATOM 625 C ILE A 39 1.907 8.450 -2.913 1.00 0.00 C ATOM 626 O ILE A 39 2.568 8.513 -1.894 1.00 0.00 O ATOM 627 CB ILE A 39 0.125 6.720 -3.283 1.00 0.00 C ATOM 628 CG1 ILE A 39 -0.802 7.515 -4.204 1.00 0.00 C ATOM 629 CG2 ILE A 39 -0.221 7.025 -1.823 1.00 0.00 C ATOM 630 CD1 ILE A 39 -2.250 7.116 -3.927 1.00 0.00 C ATOM 0 H ILE A 39 2.637 6.124 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 39 1.733 7.182 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.006 5.654 -3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.669 8.584 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.552 7.320 -5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.258 6.751 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.434 6.452 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.085 8.089 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.914 7.680 -4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.376 6.050 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.495 7.333 -2.887 1.00 0.00 H new ATOM 642 N ASP A 40 1.451 9.528 -3.491 1.00 0.00 N ATOM 643 CA ASP A 40 1.737 10.866 -2.900 1.00 0.00 C ATOM 644 C ASP A 40 0.512 11.358 -2.122 1.00 0.00 C ATOM 645 O ASP A 40 0.520 12.431 -1.551 1.00 0.00 O ATOM 646 CB ASP A 40 2.071 11.860 -4.018 1.00 0.00 C ATOM 647 CG ASP A 40 0.883 11.981 -4.975 1.00 0.00 C ATOM 648 OD1 ASP A 40 0.615 11.023 -5.681 1.00 0.00 O ATOM 649 OD2 ASP A 40 0.264 13.032 -4.988 1.00 0.00 O ATOM 0 H ASP A 40 0.894 9.540 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 40 2.586 10.787 -2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.307 12.835 -3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.955 11.527 -4.561 1.00 0.00 H new ATOM 654 N VAL A 41 -0.541 10.584 -2.094 1.00 0.00 N ATOM 655 CA VAL A 41 -1.763 11.013 -1.350 1.00 0.00 C ATOM 656 C VAL A 41 -2.587 9.780 -0.957 1.00 0.00 C ATOM 657 O VAL A 41 -2.195 8.656 -1.201 1.00 0.00 O ATOM 658 CB VAL A 41 -2.612 11.930 -2.237 1.00 0.00 C ATOM 659 CG1 VAL A 41 -3.374 12.929 -1.363 1.00 0.00 C ATOM 660 CG2 VAL A 41 -1.705 12.695 -3.204 1.00 0.00 C ATOM 0 H VAL A 41 -0.608 9.675 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.464 11.552 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.320 11.325 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.977 13.580 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.024 12.389 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.664 13.531 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.311 13.346 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.995 13.297 -2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.162 11.987 -3.831 1.00 0.00 H new ATOM 670 N CYS A 42 -3.726 9.985 -0.350 1.00 0.00 N ATOM 671 CA CYS A 42 -4.578 8.833 0.061 1.00 0.00 C ATOM 672 C CYS A 42 -6.062 9.238 0.019 1.00 0.00 C ATOM 673 O CYS A 42 -6.758 9.119 1.007 1.00 0.00 O ATOM 674 CB CYS A 42 -4.198 8.432 1.489 1.00 0.00 C ATOM 675 SG CYS A 42 -3.466 6.777 1.485 1.00 0.00 S ATOM 0 H CYS A 42 -4.103 10.904 -0.121 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.422 7.996 -0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.491 9.151 1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.081 8.448 2.128 1.00 0.00 H new ATOM 680 N PRO A 43 -6.503 9.719 -1.122 1.00 0.00 N ATOM 681 CA PRO A 43 -7.901 10.159 -1.311 1.00 0.00 C ATOM 682 C PRO A 43 -8.832 8.975 -1.609 1.00 0.00 C ATOM 683 O PRO A 43 -9.686 9.061 -2.469 1.00 0.00 O ATOM 684 CB PRO A 43 -7.823 11.071 -2.536 1.00 0.00 C ATOM 685 CG PRO A 43 -6.553 10.648 -3.315 1.00 0.00 C ATOM 686 CD PRO A 43 -5.657 9.883 -2.323 1.00 0.00 C ATOM 0 HA PRO A 43 -8.302 10.644 -0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.713 10.965 -3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.765 12.118 -2.238 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.813 10.018 -4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.034 11.521 -3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.348 8.919 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.748 10.440 -2.097 1.00 0.00 H new ATOM 694 N LYS A 44 -8.689 7.875 -0.922 1.00 0.00 N ATOM 695 CA LYS A 44 -9.584 6.722 -1.202 1.00 0.00 C ATOM 696 C LYS A 44 -9.988 6.051 0.114 1.00 0.00 C ATOM 697 O LYS A 44 -9.256 6.077 1.084 1.00 0.00 O ATOM 698 CB LYS A 44 -8.847 5.723 -2.096 1.00 0.00 C ATOM 699 CG LYS A 44 -9.843 4.716 -2.672 1.00 0.00 C ATOM 700 CD LYS A 44 -9.358 3.297 -2.377 1.00 0.00 C ATOM 701 CE LYS A 44 -9.030 3.172 -0.889 1.00 0.00 C ATOM 702 NZ LYS A 44 -9.214 1.757 -0.460 1.00 0.00 N ATOM 0 H LYS A 44 -7.998 7.727 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.484 7.068 -1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.339 6.249 -2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.080 5.203 -1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.829 4.873 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.943 4.862 -3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.125 2.574 -2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.476 3.071 -2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.004 3.490 -0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.677 3.828 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.544 1.733 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.918 1.297 -1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.308 1.251 -0.534 1.00 0.00 H new ATOM 716 N SER A 45 -11.150 5.452 0.152 1.00 0.00 N ATOM 717 CA SER A 45 -11.610 4.779 1.402 1.00 0.00 C ATOM 718 C SER A 45 -13.127 4.570 1.335 1.00 0.00 C ATOM 719 O SER A 45 -13.882 5.500 1.131 1.00 0.00 O ATOM 720 CB SER A 45 -11.267 5.657 2.608 1.00 0.00 C ATOM 721 OG SER A 45 -12.341 5.623 3.538 1.00 0.00 O ATOM 0 H SER A 45 -11.801 5.400 -0.631 1.00 0.00 H new ATOM 0 HA SER A 45 -11.113 3.814 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.351 5.303 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.083 6.682 2.285 1.00 0.00 H new ATOM 0 HG SER A 45 -12.122 6.184 4.311 1.00 0.00 H new ATOM 727 N SER A 46 -13.582 3.356 1.502 1.00 0.00 N ATOM 728 CA SER A 46 -15.050 3.095 1.443 1.00 0.00 C ATOM 729 C SER A 46 -15.417 1.988 2.439 1.00 0.00 C ATOM 730 O SER A 46 -14.850 1.893 3.509 1.00 0.00 O ATOM 731 CB SER A 46 -15.432 2.665 0.026 1.00 0.00 C ATOM 732 OG SER A 46 -15.002 1.327 -0.193 1.00 0.00 O ATOM 0 H SER A 46 -13.002 2.536 1.676 1.00 0.00 H new ATOM 0 HA SER A 46 -15.593 4.004 1.704 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.511 2.739 -0.110 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.972 3.331 -0.704 1.00 0.00 H new ATOM 0 HG SER A 46 -15.247 1.049 -1.100 1.00 0.00 H new ATOM 738 N LEU A 47 -16.364 1.151 2.099 1.00 0.00 N ATOM 739 CA LEU A 47 -16.760 0.058 3.034 1.00 0.00 C ATOM 740 C LEU A 47 -16.475 -1.304 2.393 1.00 0.00 C ATOM 741 O LEU A 47 -16.746 -2.338 2.969 1.00 0.00 O ATOM 742 CB LEU A 47 -18.256 0.149 3.401 1.00 0.00 C ATOM 743 CG LEU A 47 -19.067 0.917 2.341 1.00 0.00 C ATOM 744 CD1 LEU A 47 -18.648 2.388 2.319 1.00 0.00 C ATOM 745 CD2 LEU A 47 -18.857 0.297 0.956 1.00 0.00 C ATOM 0 H LEU A 47 -16.877 1.178 1.218 1.00 0.00 H new ATOM 0 HA LEU A 47 -16.174 0.168 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -18.664 -0.856 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -18.362 0.643 4.367 1.00 0.00 H new ATOM 0 HG LEU A 47 -20.124 0.851 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -19.228 2.920 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -18.829 2.833 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.587 2.461 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -19.437 0.851 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.800 0.341 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -19.185 -0.742 0.969 1.00 0.00 H new ATOM 757 N LEU A 48 -15.926 -1.313 1.209 1.00 0.00 N ATOM 758 CA LEU A 48 -15.620 -2.609 0.540 1.00 0.00 C ATOM 759 C LEU A 48 -14.157 -2.614 0.099 1.00 0.00 C ATOM 760 O LEU A 48 -13.755 -3.380 -0.753 1.00 0.00 O ATOM 761 CB LEU A 48 -16.524 -2.787 -0.680 1.00 0.00 C ATOM 762 CG LEU A 48 -16.924 -4.257 -0.805 1.00 0.00 C ATOM 763 CD1 LEU A 48 -18.399 -4.417 -0.437 1.00 0.00 C ATOM 764 CD2 LEU A 48 -16.705 -4.725 -2.245 1.00 0.00 C ATOM 0 H LEU A 48 -15.676 -0.480 0.677 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.796 -3.429 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -17.413 -2.164 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.005 -2.462 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.314 -4.858 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.685 -5.465 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.556 -4.084 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.009 -3.816 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.990 -5.773 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.315 -4.124 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.653 -4.611 -2.509 1.00 0.00 H new ATOM 776 N VAL A 49 -13.361 -1.762 0.680 1.00 0.00 N ATOM 777 CA VAL A 49 -11.918 -1.704 0.313 1.00 0.00 C ATOM 778 C VAL A 49 -11.230 -0.670 1.202 1.00 0.00 C ATOM 779 O VAL A 49 -11.540 0.504 1.159 1.00 0.00 O ATOM 780 CB VAL A 49 -11.764 -1.299 -1.156 1.00 0.00 C ATOM 781 CG1 VAL A 49 -11.696 -2.552 -2.030 1.00 0.00 C ATOM 782 CG2 VAL A 49 -12.959 -0.443 -1.585 1.00 0.00 C ATOM 0 H VAL A 49 -13.649 -1.098 1.399 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.464 -2.685 0.455 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.846 -0.723 -1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -11.586 -2.261 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.841 -3.159 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.612 -3.131 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -12.845 -0.157 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.879 -1.015 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.005 0.454 -0.967 1.00 0.00 H new ATOM 792 N LYS A 50 -10.308 -1.095 2.019 1.00 0.00 N ATOM 793 CA LYS A 50 -9.619 -0.132 2.921 1.00 0.00 C ATOM 794 C LYS A 50 -8.257 0.246 2.339 1.00 0.00 C ATOM 795 O LYS A 50 -7.892 -0.169 1.258 1.00 0.00 O ATOM 796 CB LYS A 50 -9.426 -0.772 4.299 1.00 0.00 C ATOM 797 CG LYS A 50 -10.584 -1.732 4.585 1.00 0.00 C ATOM 798 CD LYS A 50 -10.425 -2.325 5.986 1.00 0.00 C ATOM 799 CE LYS A 50 -9.242 -3.295 6.003 1.00 0.00 C ATOM 800 NZ LYS A 50 -9.597 -4.494 6.813 1.00 0.00 N ATOM 0 H LYS A 50 -10.002 -2.065 2.101 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.228 0.767 3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.478 -1.309 4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.382 0.000 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.535 -1.204 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.601 -2.529 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.265 -1.528 6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.338 -2.844 6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.987 -3.592 4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.363 -2.806 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.794 -5.155 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.821 -4.202 7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.425 -4.964 6.394 1.00 0.00 H new ATOM 814 N TYR A 51 -7.504 1.031 3.057 1.00 0.00 N ATOM 815 CA TYR A 51 -6.159 1.439 2.564 1.00 0.00 C ATOM 816 C TYR A 51 -5.320 1.961 3.734 1.00 0.00 C ATOM 817 O TYR A 51 -5.821 2.609 4.631 1.00 0.00 O ATOM 818 CB TYR A 51 -6.296 2.512 1.471 1.00 0.00 C ATOM 819 CG TYR A 51 -6.657 3.862 2.054 1.00 0.00 C ATOM 820 CD1 TYR A 51 -7.449 3.967 3.206 1.00 0.00 C ATOM 821 CD2 TYR A 51 -6.202 5.020 1.416 1.00 0.00 C ATOM 822 CE1 TYR A 51 -7.779 5.227 3.718 1.00 0.00 C ATOM 823 CE2 TYR A 51 -6.533 6.278 1.927 1.00 0.00 C ATOM 824 CZ TYR A 51 -7.320 6.383 3.078 1.00 0.00 C ATOM 825 OH TYR A 51 -7.645 7.626 3.582 1.00 0.00 O ATOM 0 H TYR A 51 -7.763 1.409 3.968 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.657 0.575 2.130 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.359 2.592 0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.061 2.208 0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.805 3.074 3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.594 4.942 0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.388 5.307 4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.180 7.171 1.432 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.430 8.314 2.918 1.00 0.00 H new ATOM 835 N VAL A 52 -4.048 1.671 3.740 1.00 0.00 N ATOM 836 CA VAL A 52 -3.182 2.140 4.861 1.00 0.00 C ATOM 837 C VAL A 52 -1.954 2.854 4.296 1.00 0.00 C ATOM 838 O VAL A 52 -1.083 2.238 3.723 1.00 0.00 O ATOM 839 CB VAL A 52 -2.730 0.936 5.690 1.00 0.00 C ATOM 840 CG1 VAL A 52 -2.429 1.383 7.121 1.00 0.00 C ATOM 841 CG2 VAL A 52 -3.841 -0.116 5.706 1.00 0.00 C ATOM 0 H VAL A 52 -3.570 1.130 3.019 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.745 2.829 5.490 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.830 0.508 5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.107 0.524 7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.637 2.132 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.328 1.811 7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.521 -0.975 6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.741 0.312 6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.054 -0.436 4.686 1.00 0.00 H new ATOM 851 N CYS A 53 -1.872 4.145 4.466 1.00 0.00 N ATOM 852 CA CYS A 53 -0.690 4.899 3.940 1.00 0.00 C ATOM 853 C CYS A 53 0.293 5.140 5.085 1.00 0.00 C ATOM 854 O CYS A 53 -0.084 5.198 6.239 1.00 0.00 O ATOM 855 CB CYS A 53 -1.113 6.256 3.335 1.00 0.00 C ATOM 856 SG CYS A 53 -2.914 6.484 3.406 1.00 0.00 S ATOM 0 H CYS A 53 -2.570 4.713 4.946 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.223 4.307 3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.621 7.065 3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.778 6.314 2.299 1.00 0.00 H new ATOM 861 N CYS A 54 1.554 5.268 4.778 1.00 0.00 N ATOM 862 CA CYS A 54 2.562 5.491 5.851 1.00 0.00 C ATOM 863 C CYS A 54 3.793 6.180 5.259 1.00 0.00 C ATOM 864 O CYS A 54 4.102 6.029 4.092 1.00 0.00 O ATOM 865 CB CYS A 54 2.969 4.141 6.447 1.00 0.00 C ATOM 866 SG CYS A 54 4.117 4.403 7.822 1.00 0.00 S ATOM 0 H CYS A 54 1.930 5.228 3.831 1.00 0.00 H new ATOM 0 HA CYS A 54 2.135 6.122 6.631 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.086 3.605 6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.437 3.521 5.682 1.00 0.00 H new ATOM 871 N ASN A 55 4.498 6.934 6.055 1.00 0.00 N ATOM 872 CA ASN A 55 5.709 7.633 5.544 1.00 0.00 C ATOM 873 C ASN A 55 6.798 7.605 6.619 1.00 0.00 C ATOM 874 O ASN A 55 7.678 8.442 6.651 1.00 0.00 O ATOM 875 CB ASN A 55 5.355 9.084 5.211 1.00 0.00 C ATOM 876 CG ASN A 55 6.289 9.601 4.115 1.00 0.00 C ATOM 877 OD1 ASN A 55 7.464 9.055 3.965 1.00 0.00 O flip ATOM 878 ND2 ASN A 55 5.946 10.513 3.388 1.00 0.00 N flip ATOM 0 H ASN A 55 4.287 7.097 7.040 1.00 0.00 H new ATOM 0 HA ASN A 55 6.071 7.133 4.645 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.318 9.149 4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.445 9.705 6.102 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.027 10.940 3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.577 10.851 2.661 1.00 0.00 H new ATOM 885 N THR A 56 6.745 6.643 7.501 1.00 0.00 N ATOM 886 CA THR A 56 7.773 6.554 8.574 1.00 0.00 C ATOM 887 C THR A 56 8.953 5.715 8.080 1.00 0.00 C ATOM 888 O THR A 56 10.009 5.696 8.682 1.00 0.00 O ATOM 889 CB THR A 56 7.162 5.892 9.811 1.00 0.00 C ATOM 890 OG1 THR A 56 5.762 6.132 9.831 1.00 0.00 O ATOM 891 CG2 THR A 56 7.800 6.475 11.074 1.00 0.00 C ATOM 0 H THR A 56 6.032 5.914 7.523 1.00 0.00 H new ATOM 0 HA THR A 56 8.119 7.555 8.830 1.00 0.00 H new ATOM 0 HB THR A 56 7.347 4.818 9.777 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.308 5.469 9.270 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.363 6.002 11.954 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.874 6.290 11.058 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.618 7.549 11.111 1.00 0.00 H new ATOM 899 N ASP A 57 8.781 5.020 6.988 1.00 0.00 N ATOM 900 CA ASP A 57 9.891 4.181 6.455 1.00 0.00 C ATOM 901 C ASP A 57 10.004 2.901 7.285 1.00 0.00 C ATOM 902 O ASP A 57 10.096 2.941 8.496 1.00 0.00 O ATOM 903 CB ASP A 57 11.204 4.961 6.532 1.00 0.00 C ATOM 904 CG ASP A 57 11.943 4.850 5.197 1.00 0.00 C ATOM 905 OD1 ASP A 57 11.299 4.527 4.212 1.00 0.00 O ATOM 906 OD2 ASP A 57 13.139 5.089 5.183 1.00 0.00 O ATOM 0 H ASP A 57 7.919 4.997 6.442 1.00 0.00 H new ATOM 0 HA ASP A 57 9.686 3.923 5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.005 6.007 6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.825 4.569 7.337 1.00 0.00 H new ATOM 911 N ARG A 58 9.994 1.765 6.644 1.00 0.00 N ATOM 912 CA ARG A 58 10.096 0.484 7.398 1.00 0.00 C ATOM 913 C ARG A 58 8.772 0.205 8.112 1.00 0.00 C ATOM 914 O ARG A 58 8.632 -0.772 8.820 1.00 0.00 O ATOM 915 CB ARG A 58 11.221 0.586 8.431 1.00 0.00 C ATOM 916 CG ARG A 58 11.754 -0.814 8.745 1.00 0.00 C ATOM 917 CD ARG A 58 13.069 -0.701 9.519 1.00 0.00 C ATOM 918 NE ARG A 58 12.851 -1.111 10.936 1.00 0.00 N ATOM 919 CZ ARG A 58 13.858 -1.150 11.766 1.00 0.00 C ATOM 920 NH1 ARG A 58 15.065 -1.363 11.316 1.00 0.00 N ATOM 921 NH2 ARG A 58 13.658 -0.977 13.044 1.00 0.00 N ATOM 0 H ARG A 58 9.920 1.668 5.631 1.00 0.00 H new ATOM 0 HA ARG A 58 10.313 -0.328 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.025 1.215 8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.852 1.059 9.341 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.022 -1.370 9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.911 -1.370 7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.829 -1.333 9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.440 0.323 9.479 1.00 0.00 H new ATOM 0 HE ARG A 58 11.916 -1.361 11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 58 15.220 -1.499 10.317 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.853 -1.394 11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.715 -0.811 13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.445 -1.008 13.692 1.00 0.00 H new ATOM 935 N CYS A 59 7.795 1.052 7.928 1.00 0.00 N ATOM 936 CA CYS A 59 6.481 0.828 8.592 1.00 0.00 C ATOM 937 C CYS A 59 5.562 0.051 7.648 1.00 0.00 C ATOM 938 O CYS A 59 4.475 -0.348 8.014 1.00 0.00 O ATOM 939 CB CYS A 59 5.844 2.178 8.933 1.00 0.00 C ATOM 940 SG CYS A 59 5.659 3.159 7.422 1.00 0.00 S ATOM 0 H CYS A 59 7.851 1.888 7.347 1.00 0.00 H new ATOM 0 HA CYS A 59 6.628 0.256 9.508 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.872 2.025 9.401 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.464 2.713 9.653 1.00 0.00 H new ATOM 945 N ASN A 60 5.990 -0.167 6.433 1.00 0.00 N ATOM 946 CA ASN A 60 5.139 -0.920 5.470 1.00 0.00 C ATOM 947 C ASN A 60 5.711 -2.326 5.273 1.00 0.00 C ATOM 948 O ASN A 60 6.788 -2.432 4.709 1.00 0.00 O ATOM 949 CB ASN A 60 5.115 -0.187 4.126 1.00 0.00 C ATOM 950 CG ASN A 60 4.079 -0.840 3.209 1.00 0.00 C ATOM 951 OD1 ASN A 60 3.625 -1.936 3.470 1.00 0.00 O ATOM 952 ND2 ASN A 60 3.684 -0.208 2.138 1.00 0.00 N ATOM 953 OXT ASN A 60 5.062 -3.271 5.689 1.00 0.00 O ATOM 0 H ASN A 60 6.890 0.144 6.068 1.00 0.00 H new ATOM 0 HA ASN A 60 4.125 -0.992 5.863 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.871 0.865 4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.101 -0.222 3.662 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.994 -0.634 1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.065 0.712 1.919 1.00 0.00 H new TER 960 ASN A 60