USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ILE N :NH3+ 142:sc= -0.102 (180deg=-0.292) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 4 LYS NZ :NH3+ -130:sc= -1.22 (180deg=-4.37!) USER MOD Single : A 6 SER OG : rot 54:sc= 1.07 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.163 K(o=-0.16,f=-2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.283 K(o=-0.28,f=-2.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -151:sc= -1.07 (180deg=-2.66) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -96:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.980 0.441 0.537 1.00 11.33 N ATOM 2 CA ILE A 1 1.690 0.438 -0.736 1.00 32.33 C ATOM 3 C ILE A 1 3.116 -0.075 -0.568 1.00 42.23 C ATOM 4 O ILE A 1 3.813 0.296 0.375 1.00 0.41 O ATOM 5 CB ILE A 1 1.732 1.845 -1.361 1.00 33.41 C ATOM 6 CG1 ILE A 1 2.201 2.871 -0.328 1.00 44.43 C ATOM 7 CG2 ILE A 1 0.363 2.222 -1.907 1.00 40.51 C ATOM 8 CD1 ILE A 1 2.973 4.025 -0.931 1.00 32.32 C ATOM 0 H1 ILE A 1 0.372 1.283 0.593 1.00 11.33 H new ATOM 0 H2 ILE A 1 0.394 -0.415 0.610 1.00 11.33 H new ATOM 0 H3 ILE A 1 1.667 0.457 1.318 1.00 11.33 H new ATOM 0 HA ILE A 1 1.142 -0.229 -1.402 1.00 32.33 H new ATOM 0 HB ILE A 1 2.442 1.839 -2.188 1.00 33.41 H new ATOM 0 HG12 ILE A 1 1.334 3.263 0.203 1.00 44.43 H new ATOM 0 HG13 ILE A 1 2.828 2.371 0.410 1.00 44.43 H new ATOM 0 HG21 ILE A 1 0.408 3.219 -2.346 1.00 40.51 H new ATOM 0 HG22 ILE A 1 0.065 1.503 -2.670 1.00 40.51 H new ATOM 0 HG23 ILE A 1 -0.366 2.215 -1.097 1.00 40.51 H new ATOM 0 HD11 ILE A 1 3.274 4.713 -0.141 1.00 32.32 H new ATOM 0 HD12 ILE A 1 3.860 3.644 -1.438 1.00 32.32 H new ATOM 0 HD13 ILE A 1 2.342 4.550 -1.648 1.00 32.32 H new ATOM 20 N ASN A 2 3.545 -0.929 -1.492 1.00 55.01 N ATOM 21 CA ASN A 2 4.889 -1.492 -1.448 1.00 2.12 C ATOM 22 C ASN A 2 5.931 -0.441 -1.819 1.00 23.20 C ATOM 23 O ASN A 2 6.079 -0.084 -2.988 1.00 4.33 O ATOM 24 CB ASN A 2 4.995 -2.688 -2.395 1.00 61.44 C ATOM 25 CG ASN A 2 3.922 -3.728 -2.136 1.00 24.44 C ATOM 26 OD1 ASN A 2 3.678 -4.112 -0.992 1.00 11.34 O ATOM 27 ND2 ASN A 2 3.277 -4.191 -3.200 1.00 15.41 N ATOM 0 H ASN A 2 2.981 -1.246 -2.280 1.00 55.01 H new ATOM 0 HA ASN A 2 5.083 -1.826 -0.429 1.00 2.12 H new ATOM 0 HB2 ASN A 2 4.919 -2.340 -3.425 1.00 61.44 H new ATOM 0 HB3 ASN A 2 5.977 -3.148 -2.286 1.00 61.44 H new ATOM 0 HD21 ASN A 2 2.546 -4.894 -3.088 1.00 15.41 H new ATOM 0 HD22 ASN A 2 3.512 -3.844 -4.130 1.00 15.41 H new ATOM 34 N VAL A 3 6.652 0.050 -0.816 1.00 21.22 N ATOM 35 CA VAL A 3 7.682 1.058 -1.036 1.00 52.11 C ATOM 36 C VAL A 3 9.003 0.643 -0.398 1.00 52.11 C ATOM 37 O VAL A 3 9.024 0.034 0.672 1.00 44.23 O ATOM 38 CB VAL A 3 7.258 2.426 -0.469 1.00 41.24 C ATOM 39 CG1 VAL A 3 8.358 3.456 -0.681 1.00 74.20 C ATOM 40 CG2 VAL A 3 5.956 2.886 -1.107 1.00 12.20 C ATOM 0 H VAL A 3 6.542 -0.234 0.157 1.00 21.22 H new ATOM 0 HA VAL A 3 7.815 1.145 -2.114 1.00 52.11 H new ATOM 0 HB VAL A 3 7.094 2.321 0.603 1.00 41.24 H new ATOM 0 HG11 VAL A 3 8.041 4.416 -0.274 1.00 74.20 H new ATOM 0 HG12 VAL A 3 9.265 3.129 -0.173 1.00 74.20 H new ATOM 0 HG13 VAL A 3 8.557 3.562 -1.747 1.00 74.20 H new ATOM 0 HG21 VAL A 3 5.671 3.854 -0.695 1.00 12.20 H new ATOM 0 HG22 VAL A 3 6.091 2.976 -2.185 1.00 12.20 H new ATOM 0 HG23 VAL A 3 5.172 2.158 -0.899 1.00 12.20 H new ATOM 50 N LYS A 4 10.105 0.977 -1.062 1.00 15.15 N ATOM 51 CA LYS A 4 11.432 0.641 -0.560 1.00 12.53 C ATOM 52 C LYS A 4 11.628 1.172 0.857 1.00 41.22 C ATOM 53 O LYS A 4 10.763 1.862 1.398 1.00 61.41 O ATOM 54 CB LYS A 4 12.509 1.214 -1.484 1.00 72.11 C ATOM 55 CG LYS A 4 12.929 2.629 -1.126 1.00 33.14 C ATOM 56 CD LYS A 4 11.754 3.591 -1.185 1.00 21.02 C ATOM 57 CE LYS A 4 11.273 3.796 -2.613 1.00 71.11 C ATOM 58 NZ LYS A 4 10.271 4.894 -2.709 1.00 23.32 N ATOM 0 H LYS A 4 10.105 1.480 -1.949 1.00 15.15 H new ATOM 0 HA LYS A 4 11.521 -0.445 -0.538 1.00 12.53 H new ATOM 0 HB2 LYS A 4 13.385 0.566 -1.453 1.00 72.11 H new ATOM 0 HB3 LYS A 4 12.140 1.202 -2.509 1.00 72.11 H new ATOM 0 HG2 LYS A 4 13.359 2.639 -0.125 1.00 33.14 H new ATOM 0 HG3 LYS A 4 13.708 2.963 -1.811 1.00 33.14 H new ATOM 0 HD2 LYS A 4 10.936 3.206 -0.576 1.00 21.02 H new ATOM 0 HD3 LYS A 4 12.046 4.550 -0.757 1.00 21.02 H new ATOM 0 HE2 LYS A 4 12.125 4.025 -3.254 1.00 71.11 H new ATOM 0 HE3 LYS A 4 10.834 2.870 -2.985 1.00 71.11 H new ATOM 0 HZ1 LYS A 4 9.440 4.560 -3.237 1.00 23.32 H new ATOM 0 HZ2 LYS A 4 9.980 5.183 -1.753 1.00 23.32 H new ATOM 0 HZ3 LYS A 4 10.692 5.706 -3.204 1.00 23.32 H new ATOM 72 N CYS A 5 12.771 0.848 1.452 1.00 20.00 N ATOM 73 CA CYS A 5 13.082 1.293 2.805 1.00 20.42 C ATOM 74 C CYS A 5 14.365 2.118 2.825 1.00 41.50 C ATOM 75 O CYS A 5 15.250 1.930 1.990 1.00 31.23 O ATOM 76 CB CYS A 5 13.222 0.090 3.740 1.00 24.41 C ATOM 77 SG CYS A 5 12.646 0.398 5.440 1.00 2.35 S ATOM 0 H CYS A 5 13.498 0.279 1.018 1.00 20.00 H new ATOM 0 HA CYS A 5 12.261 1.921 3.152 1.00 20.42 H new ATOM 0 HB2 CYS A 5 12.661 -0.747 3.324 1.00 24.41 H new ATOM 0 HB3 CYS A 5 14.269 -0.212 3.772 1.00 24.41 H new ATOM 82 N SER A 6 14.458 3.034 3.784 1.00 2.01 N ATOM 83 CA SER A 6 15.631 3.891 3.911 1.00 12.51 C ATOM 84 C SER A 6 15.495 4.823 5.111 1.00 11.35 C ATOM 85 O SER A 6 14.398 5.025 5.635 1.00 62.11 O ATOM 86 CB SER A 6 15.830 4.711 2.635 1.00 41.12 C ATOM 87 OG SER A 6 16.791 4.107 1.786 1.00 50.40 O ATOM 0 H SER A 6 13.735 3.202 4.484 1.00 2.01 H new ATOM 0 HA SER A 6 16.502 3.253 4.064 1.00 12.51 H new ATOM 0 HB2 SER A 6 14.881 4.804 2.107 1.00 41.12 H new ATOM 0 HB3 SER A 6 16.151 5.720 2.894 1.00 41.12 H new ATOM 0 HG SER A 6 16.536 3.177 1.612 1.00 50.40 H new ATOM 93 N LEU A 7 16.617 5.389 5.543 1.00 54.32 N ATOM 94 CA LEU A 7 16.625 6.301 6.682 1.00 72.31 C ATOM 95 C LEU A 7 15.637 7.443 6.472 1.00 55.50 C ATOM 96 O LEU A 7 15.234 7.750 5.350 1.00 53.33 O ATOM 97 CB LEU A 7 18.031 6.861 6.901 1.00 0.35 C ATOM 98 CG LEU A 7 18.988 5.977 7.702 1.00 45.44 C ATOM 99 CD1 LEU A 7 20.389 6.570 7.700 1.00 21.02 C ATOM 100 CD2 LEU A 7 18.485 5.798 9.126 1.00 15.42 C ATOM 0 H LEU A 7 17.533 5.232 5.122 1.00 54.32 H new ATOM 0 HA LEU A 7 16.321 5.741 7.567 1.00 72.31 H new ATOM 0 HB2 LEU A 7 18.478 7.057 5.926 1.00 0.35 H new ATOM 0 HB3 LEU A 7 17.943 7.821 7.410 1.00 0.35 H new ATOM 0 HG LEU A 7 19.029 4.996 7.228 1.00 45.44 H new ATOM 0 HD11 LEU A 7 21.057 5.928 8.275 1.00 21.02 H new ATOM 0 HD12 LEU A 7 20.751 6.645 6.675 1.00 21.02 H new ATOM 0 HD13 LEU A 7 20.365 7.563 8.149 1.00 21.02 H new ATOM 0 HD21 LEU A 7 19.179 5.166 9.680 1.00 15.42 H new ATOM 0 HD22 LEU A 7 18.413 6.771 9.612 1.00 15.42 H new ATOM 0 HD23 LEU A 7 17.502 5.328 9.108 1.00 15.42 H new ATOM 112 N PRO A 8 15.237 8.091 7.577 1.00 41.14 N ATOM 113 CA PRO A 8 14.293 9.212 7.539 1.00 4.22 C ATOM 114 C PRO A 8 14.901 10.461 6.908 1.00 32.54 C ATOM 115 O PRO A 8 14.185 11.392 6.541 1.00 31.31 O ATOM 116 CB PRO A 8 13.977 9.459 9.016 1.00 4.25 C ATOM 117 CG PRO A 8 15.168 8.944 9.750 1.00 53.53 C ATOM 118 CD PRO A 8 15.676 7.779 8.947 1.00 45.20 C ATOM 0 HA PRO A 8 13.416 8.986 6.933 1.00 4.22 H new ATOM 0 HB2 PRO A 8 13.817 10.519 9.215 1.00 4.25 H new ATOM 0 HB3 PRO A 8 13.069 8.937 9.319 1.00 4.25 H new ATOM 0 HG2 PRO A 8 15.932 9.716 9.845 1.00 53.53 H new ATOM 0 HG3 PRO A 8 14.900 8.635 10.760 1.00 53.53 H new ATOM 0 HD2 PRO A 8 16.760 7.690 9.011 1.00 45.20 H new ATOM 0 HD3 PRO A 8 15.257 6.836 9.298 1.00 45.20 H new ATOM 126 N GLN A 9 16.224 10.472 6.786 1.00 62.10 N ATOM 127 CA GLN A 9 16.927 11.607 6.199 1.00 31.04 C ATOM 128 C GLN A 9 16.778 11.614 4.682 1.00 51.14 C ATOM 129 O GLN A 9 16.874 12.663 4.045 1.00 64.33 O ATOM 130 CB GLN A 9 18.408 11.568 6.578 1.00 24.31 C ATOM 131 CG GLN A 9 19.174 10.429 5.924 1.00 73.04 C ATOM 132 CD GLN A 9 20.667 10.511 6.171 1.00 41.52 C ATOM 133 OE1 GLN A 9 21.451 10.715 5.243 1.00 23.34 O ATOM 134 NE2 GLN A 9 21.069 10.354 7.427 1.00 42.05 N ATOM 0 H GLN A 9 16.831 9.709 7.085 1.00 62.10 H new ATOM 0 HA GLN A 9 16.483 12.521 6.593 1.00 31.04 H new ATOM 0 HB2 GLN A 9 18.871 12.514 6.298 1.00 24.31 H new ATOM 0 HB3 GLN A 9 18.495 11.479 7.661 1.00 24.31 H new ATOM 0 HG2 GLN A 9 18.799 9.479 6.304 1.00 73.04 H new ATOM 0 HG3 GLN A 9 18.986 10.440 4.850 1.00 73.04 H new ATOM 0 HE21 GLN A 9 20.384 10.187 8.164 1.00 42.05 H new ATOM 0 HE22 GLN A 9 22.062 10.401 7.654 1.00 42.05 H new ATOM 143 N GLN A 10 16.543 10.438 4.109 1.00 32.35 N ATOM 144 CA GLN A 10 16.382 10.309 2.666 1.00 52.40 C ATOM 145 C GLN A 10 14.992 9.788 2.318 1.00 73.45 C ATOM 146 O GLN A 10 14.770 9.262 1.226 1.00 13.41 O ATOM 147 CB GLN A 10 17.449 9.375 2.094 1.00 73.54 C ATOM 148 CG GLN A 10 18.784 10.056 1.844 1.00 43.21 C ATOM 149 CD GLN A 10 19.534 9.459 0.670 1.00 71.35 C ATOM 150 OE1 GLN A 10 19.080 8.493 0.054 1.00 13.45 O ATOM 151 NE2 GLN A 10 20.689 10.031 0.351 1.00 23.23 N ATOM 0 H GLN A 10 16.460 9.561 4.623 1.00 32.35 H new ATOM 0 HA GLN A 10 16.500 11.298 2.223 1.00 52.40 H new ATOM 0 HB2 GLN A 10 17.598 8.543 2.782 1.00 73.54 H new ATOM 0 HB3 GLN A 10 17.085 8.952 1.157 1.00 73.54 H new ATOM 0 HG2 GLN A 10 18.617 11.118 1.661 1.00 43.21 H new ATOM 0 HG3 GLN A 10 19.400 9.980 2.740 1.00 43.21 H new ATOM 0 HE21 GLN A 10 21.028 10.829 0.888 1.00 23.23 H new ATOM 0 HE22 GLN A 10 21.237 9.672 -0.431 1.00 23.23 H new ATOM 160 N CYS A 11 14.058 9.935 3.252 1.00 44.32 N ATOM 161 CA CYS A 11 12.690 9.478 3.045 1.00 55.52 C ATOM 162 C CYS A 11 11.746 10.661 2.845 1.00 32.02 C ATOM 163 O CYS A 11 10.525 10.509 2.894 1.00 31.21 O ATOM 164 CB CYS A 11 12.225 8.637 4.235 1.00 62.41 C ATOM 165 SG CYS A 11 10.962 7.392 3.818 1.00 51.14 S ATOM 0 H CYS A 11 14.225 10.368 4.161 1.00 44.32 H new ATOM 0 HA CYS A 11 12.671 8.863 2.145 1.00 55.52 H new ATOM 0 HB2 CYS A 11 13.088 8.132 4.669 1.00 62.41 H new ATOM 0 HB3 CYS A 11 11.826 9.301 5.002 1.00 62.41 H new ATOM 170 N ILE A 12 12.320 11.838 2.620 1.00 24.31 N ATOM 171 CA ILE A 12 11.531 13.045 2.412 1.00 50.23 C ATOM 172 C ILE A 12 10.799 13.000 1.074 1.00 25.25 C ATOM 173 O ILE A 12 9.674 13.484 0.953 1.00 41.12 O ATOM 174 CB ILE A 12 12.411 14.308 2.460 1.00 11.32 C ATOM 175 CG1 ILE A 12 12.938 14.535 3.878 1.00 25.34 C ATOM 176 CG2 ILE A 12 11.625 15.520 1.982 1.00 71.11 C ATOM 177 CD1 ILE A 12 14.119 13.657 4.231 1.00 3.40 C ATOM 0 H ILE A 12 13.329 11.981 2.577 1.00 24.31 H new ATOM 0 HA ILE A 12 10.802 13.089 3.221 1.00 50.23 H new ATOM 0 HB ILE A 12 13.262 14.165 1.794 1.00 11.32 H new ATOM 0 HG12 ILE A 12 13.227 15.580 3.987 1.00 25.34 H new ATOM 0 HG13 ILE A 12 12.133 14.351 4.590 1.00 25.34 H new ATOM 0 HG21 ILE A 12 12.261 16.405 2.022 1.00 71.11 H new ATOM 0 HG22 ILE A 12 11.293 15.357 0.957 1.00 71.11 H new ATOM 0 HG23 ILE A 12 10.757 15.668 2.625 1.00 71.11 H new ATOM 0 HD11 ILE A 12 14.440 13.872 5.250 1.00 3.40 H new ATOM 0 HD12 ILE A 12 13.829 12.609 4.155 1.00 3.40 H new ATOM 0 HD13 ILE A 12 14.940 13.857 3.542 1.00 3.40 H new ATOM 189 N LYS A 13 11.446 12.413 0.073 1.00 55.04 N ATOM 190 CA LYS A 13 10.857 12.300 -1.256 1.00 53.35 C ATOM 191 C LYS A 13 9.507 11.591 -1.195 1.00 45.34 C ATOM 192 O LYS A 13 8.473 12.141 -1.573 1.00 14.21 O ATOM 193 CB LYS A 13 11.801 11.543 -2.193 1.00 30.34 C ATOM 194 CG LYS A 13 12.307 12.380 -3.354 1.00 43.41 C ATOM 195 CD LYS A 13 13.605 11.826 -3.917 1.00 5.51 C ATOM 196 CE LYS A 13 14.810 12.606 -3.411 1.00 54.14 C ATOM 197 NZ LYS A 13 16.081 12.113 -4.010 1.00 31.22 N ATOM 0 H LYS A 13 12.378 12.008 0.157 1.00 55.04 H new ATOM 0 HA LYS A 13 10.702 13.307 -1.643 1.00 53.35 H new ATOM 0 HB2 LYS A 13 12.654 11.179 -1.620 1.00 30.34 H new ATOM 0 HB3 LYS A 13 11.284 10.667 -2.586 1.00 30.34 H new ATOM 0 HG2 LYS A 13 11.552 12.409 -4.139 1.00 43.41 H new ATOM 0 HG3 LYS A 13 12.462 13.407 -3.023 1.00 43.41 H new ATOM 0 HD2 LYS A 13 13.706 10.777 -3.638 1.00 5.51 H new ATOM 0 HD3 LYS A 13 13.576 11.865 -5.006 1.00 5.51 H new ATOM 0 HE2 LYS A 13 14.684 13.663 -3.646 1.00 54.14 H new ATOM 0 HE3 LYS A 13 14.865 12.526 -2.325 1.00 54.14 H new ATOM 0 HZ1 LYS A 13 16.878 12.670 -3.640 1.00 31.22 H new ATOM 0 HZ2 LYS A 13 16.215 11.111 -3.764 1.00 31.22 H new ATOM 0 HZ3 LYS A 13 16.039 12.213 -5.044 1.00 31.22 H new ATOM 211 N PRO A 14 9.516 10.342 -0.708 1.00 21.22 N ATOM 212 CA PRO A 14 8.300 9.532 -0.584 1.00 5.00 C ATOM 213 C PRO A 14 7.364 10.054 0.501 1.00 64.32 C ATOM 214 O PRO A 14 6.219 9.616 0.610 1.00 73.22 O ATOM 215 CB PRO A 14 8.834 8.147 -0.209 1.00 73.14 C ATOM 216 CG PRO A 14 10.146 8.410 0.444 1.00 1.34 C ATOM 217 CD PRO A 14 10.713 9.624 -0.239 1.00 62.42 C ATOM 0 HA PRO A 14 7.708 9.542 -1.499 1.00 5.00 H new ATOM 0 HB2 PRO A 14 8.153 7.630 0.466 1.00 73.14 H new ATOM 0 HB3 PRO A 14 8.950 7.516 -1.090 1.00 73.14 H new ATOM 0 HG2 PRO A 14 10.022 8.586 1.513 1.00 1.34 H new ATOM 0 HG3 PRO A 14 10.813 7.555 0.337 1.00 1.34 H new ATOM 0 HD2 PRO A 14 11.303 10.232 0.447 1.00 62.42 H new ATOM 0 HD3 PRO A 14 11.368 9.350 -1.067 1.00 62.42 H new ATOM 225 N CYS A 15 7.859 10.992 1.301 1.00 32.04 N ATOM 226 CA CYS A 15 7.067 11.574 2.378 1.00 11.02 C ATOM 227 C CYS A 15 6.860 13.069 2.154 1.00 11.22 C ATOM 228 O CYS A 15 6.682 13.832 3.104 1.00 0.20 O ATOM 229 CB CYS A 15 7.751 11.339 3.727 1.00 54.14 C ATOM 230 SG CYS A 15 7.874 9.585 4.202 1.00 61.20 S ATOM 0 H CYS A 15 8.805 11.365 1.224 1.00 32.04 H new ATOM 0 HA CYS A 15 6.092 11.087 2.383 1.00 11.02 H new ATOM 0 HB2 CYS A 15 8.753 11.767 3.694 1.00 54.14 H new ATOM 0 HB3 CYS A 15 7.201 11.876 4.500 1.00 54.14 H new ATOM 235 N LYS A 16 6.884 13.481 0.891 1.00 1.43 N ATOM 236 CA LYS A 16 6.698 14.884 0.540 1.00 12.31 C ATOM 237 C LYS A 16 5.215 15.227 0.435 1.00 21.51 C ATOM 238 O LYS A 16 4.763 16.239 0.970 1.00 34.34 O ATOM 239 CB LYS A 16 7.399 15.198 -0.783 1.00 64.54 C ATOM 240 CG LYS A 16 7.311 16.659 -1.188 1.00 35.21 C ATOM 241 CD LYS A 16 8.424 17.040 -2.148 1.00 44.25 C ATOM 242 CE LYS A 16 8.247 16.370 -3.502 1.00 73.02 C ATOM 243 NZ LYS A 16 9.206 16.897 -4.512 1.00 52.02 N ATOM 0 H LYS A 16 7.031 12.863 0.093 1.00 1.43 H new ATOM 0 HA LYS A 16 7.139 15.491 1.331 1.00 12.31 H new ATOM 0 HB2 LYS A 16 8.449 14.914 -0.704 1.00 64.54 H new ATOM 0 HB3 LYS A 16 6.961 14.585 -1.571 1.00 64.54 H new ATOM 0 HG2 LYS A 16 6.345 16.850 -1.655 1.00 35.21 H new ATOM 0 HG3 LYS A 16 7.365 17.288 -0.299 1.00 35.21 H new ATOM 0 HD2 LYS A 16 8.441 18.122 -2.276 1.00 44.25 H new ATOM 0 HD3 LYS A 16 9.386 16.754 -1.723 1.00 44.25 H new ATOM 0 HE2 LYS A 16 8.386 15.294 -3.396 1.00 73.02 H new ATOM 0 HE3 LYS A 16 7.227 16.526 -3.854 1.00 73.02 H new ATOM 0 HZ1 LYS A 16 9.053 16.415 -5.421 1.00 52.02 H new ATOM 0 HZ2 LYS A 16 9.056 17.919 -4.633 1.00 52.02 H new ATOM 0 HZ3 LYS A 16 10.180 16.725 -4.189 1.00 52.02 H new ATOM 257 N ASP A 17 4.464 14.376 -0.256 1.00 51.41 N ATOM 258 CA ASP A 17 3.031 14.588 -0.429 1.00 24.32 C ATOM 259 C ASP A 17 2.332 14.699 0.922 1.00 32.13 C ATOM 260 O ASP A 17 1.295 15.351 1.044 1.00 44.32 O ATOM 261 CB ASP A 17 2.420 13.445 -1.241 1.00 51.22 C ATOM 262 CG ASP A 17 2.433 12.129 -0.490 1.00 23.44 C ATOM 263 OD1 ASP A 17 3.530 11.684 -0.090 1.00 0.43 O ATOM 264 OD2 ASP A 17 1.347 11.543 -0.300 1.00 71.15 O ATOM 0 H ASP A 17 4.823 13.534 -0.705 1.00 51.41 H new ATOM 0 HA ASP A 17 2.889 15.524 -0.969 1.00 24.32 H new ATOM 0 HB2 ASP A 17 1.393 13.699 -1.505 1.00 51.22 H new ATOM 0 HB3 ASP A 17 2.970 13.332 -2.175 1.00 51.22 H new ATOM 269 N ALA A 18 2.905 14.057 1.935 1.00 63.44 N ATOM 270 CA ALA A 18 2.337 14.084 3.277 1.00 45.23 C ATOM 271 C ALA A 18 2.780 15.331 4.035 1.00 42.24 C ATOM 272 O ALA A 18 2.114 15.770 4.971 1.00 32.52 O ATOM 273 CB ALA A 18 2.733 12.830 4.043 1.00 54.41 C ATOM 0 H ALA A 18 3.763 13.512 1.851 1.00 63.44 H new ATOM 0 HA ALA A 18 1.251 14.113 3.185 1.00 45.23 H new ATOM 0 HB1 ALA A 18 2.302 12.864 5.044 1.00 54.41 H new ATOM 0 HB2 ALA A 18 2.362 11.950 3.517 1.00 54.41 H new ATOM 0 HB3 ALA A 18 3.819 12.777 4.117 1.00 54.41 H new ATOM 279 N GLY A 19 3.910 15.898 3.623 1.00 4.33 N ATOM 280 CA GLY A 19 4.423 17.089 4.275 1.00 10.14 C ATOM 281 C GLY A 19 5.049 16.788 5.623 1.00 51.32 C ATOM 282 O GLY A 19 5.185 17.677 6.463 1.00 20.23 O ATOM 0 H GLY A 19 4.479 15.554 2.850 1.00 4.33 H new ATOM 0 HA2 GLY A 19 5.165 17.561 3.631 1.00 10.14 H new ATOM 0 HA3 GLY A 19 3.612 17.806 4.406 1.00 10.14 H new ATOM 286 N MET A 20 5.429 15.532 5.830 1.00 62.24 N ATOM 287 CA MET A 20 6.044 15.117 7.085 1.00 34.43 C ATOM 288 C MET A 20 7.500 15.565 7.152 1.00 21.12 C ATOM 289 O MET A 20 8.008 16.195 6.225 1.00 44.12 O ATOM 290 CB MET A 20 5.958 13.597 7.242 1.00 52.21 C ATOM 291 CG MET A 20 4.533 13.068 7.260 1.00 21.32 C ATOM 292 SD MET A 20 3.611 13.605 8.713 1.00 30.15 S ATOM 293 CE MET A 20 1.926 13.379 8.148 1.00 24.34 C ATOM 0 H MET A 20 5.322 14.784 5.145 1.00 62.24 H new ATOM 0 HA MET A 20 5.499 15.591 7.901 1.00 34.43 H new ATOM 0 HB2 MET A 20 6.502 13.124 6.425 1.00 52.21 H new ATOM 0 HB3 MET A 20 6.456 13.307 8.167 1.00 52.21 H new ATOM 0 HG2 MET A 20 4.014 13.402 6.361 1.00 21.32 H new ATOM 0 HG3 MET A 20 4.554 11.979 7.230 1.00 21.32 H new ATOM 0 HE1 MET A 20 1.235 13.670 8.939 1.00 24.34 H new ATOM 0 HE2 MET A 20 1.751 13.998 7.268 1.00 24.34 H new ATOM 0 HE3 MET A 20 1.765 12.332 7.893 1.00 24.34 H new ATOM 303 N ARG A 21 8.166 15.236 8.255 1.00 53.25 N ATOM 304 CA ARG A 21 9.563 15.607 8.442 1.00 22.33 C ATOM 305 C ARG A 21 10.450 14.367 8.511 1.00 71.21 C ATOM 306 O ARG A 21 11.300 14.150 7.647 1.00 4.34 O ATOM 307 CB ARG A 21 9.726 16.435 9.718 1.00 25.22 C ATOM 308 CG ARG A 21 10.515 17.718 9.515 1.00 41.14 C ATOM 309 CD ARG A 21 11.318 18.081 10.754 1.00 62.02 C ATOM 310 NE ARG A 21 11.217 19.502 11.075 1.00 43.13 N ATOM 311 CZ ARG A 21 10.111 20.075 11.537 1.00 62.54 C ATOM 312 NH1 ARG A 21 9.018 19.351 11.731 1.00 33.51 N ATOM 313 NH2 ARG A 21 10.098 21.374 11.806 1.00 73.15 N ATOM 0 H ARG A 21 7.760 14.714 9.032 1.00 53.25 H new ATOM 0 HA ARG A 21 9.872 16.207 7.586 1.00 22.33 H new ATOM 0 HB2 ARG A 21 8.739 16.683 10.108 1.00 25.22 H new ATOM 0 HB3 ARG A 21 10.224 15.828 10.474 1.00 25.22 H new ATOM 0 HG2 ARG A 21 11.188 17.602 8.665 1.00 41.14 H new ATOM 0 HG3 ARG A 21 9.832 18.532 9.272 1.00 41.14 H new ATOM 0 HD2 ARG A 21 10.964 17.492 11.600 1.00 62.02 H new ATOM 0 HD3 ARG A 21 12.364 17.818 10.598 1.00 62.02 H new ATOM 0 HE ARG A 21 12.041 20.087 10.937 1.00 43.13 H new ATOM 0 HH11 ARG A 21 9.025 18.352 11.526 1.00 33.51 H new ATOM 0 HH12 ARG A 21 8.170 19.793 12.086 1.00 33.51 H new ATOM 0 HH21 ARG A 21 10.938 21.934 11.658 1.00 73.15 H new ATOM 0 HH22 ARG A 21 9.248 21.813 12.161 1.00 73.15 H new ATOM 327 N PHE A 22 10.246 13.556 9.544 1.00 55.02 N ATOM 328 CA PHE A 22 11.027 12.338 9.726 1.00 1.53 C ATOM 329 C PHE A 22 10.224 11.109 9.310 1.00 45.42 C ATOM 330 O PHE A 22 9.155 11.226 8.713 1.00 61.31 O ATOM 331 CB PHE A 22 11.467 12.204 11.186 1.00 62.35 C ATOM 332 CG PHE A 22 10.326 11.989 12.138 1.00 2.55 C ATOM 333 CD1 PHE A 22 9.645 13.069 12.679 1.00 64.44 C ATOM 334 CD2 PHE A 22 9.935 10.709 12.495 1.00 72.14 C ATOM 335 CE1 PHE A 22 8.595 12.875 13.556 1.00 53.04 C ATOM 336 CE2 PHE A 22 8.885 10.509 13.371 1.00 53.24 C ATOM 337 CZ PHE A 22 8.215 11.593 13.903 1.00 54.52 C ATOM 0 H PHE A 22 9.546 13.720 10.268 1.00 55.02 H new ATOM 0 HA PHE A 22 11.911 12.404 9.091 1.00 1.53 H new ATOM 0 HB2 PHE A 22 12.164 11.370 11.272 1.00 62.35 H new ATOM 0 HB3 PHE A 22 12.009 13.104 11.478 1.00 62.35 H new ATOM 0 HD1 PHE A 22 9.939 14.073 12.412 1.00 64.44 H new ATOM 0 HD2 PHE A 22 10.457 9.857 12.084 1.00 72.14 H new ATOM 0 HE1 PHE A 22 8.072 13.725 13.970 1.00 53.04 H new ATOM 0 HE2 PHE A 22 8.589 9.506 13.639 1.00 53.24 H new ATOM 0 HZ PHE A 22 7.395 11.439 14.589 1.00 54.52 H new ATOM 347 N GLY A 23 10.750 9.930 9.629 1.00 10.42 N ATOM 348 CA GLY A 23 10.071 8.696 9.280 1.00 14.43 C ATOM 349 C GLY A 23 10.627 7.498 10.024 1.00 40.25 C ATOM 350 O GLY A 23 11.438 7.647 10.938 1.00 33.42 O ATOM 0 H GLY A 23 11.634 9.808 10.123 1.00 10.42 H new ATOM 0 HA2 GLY A 23 9.008 8.795 9.500 1.00 14.43 H new ATOM 0 HA3 GLY A 23 10.160 8.527 8.207 1.00 14.43 H new ATOM 354 N LYS A 24 10.190 6.306 9.632 1.00 42.01 N ATOM 355 CA LYS A 24 10.649 5.076 10.267 1.00 53.22 C ATOM 356 C LYS A 24 10.782 3.953 9.244 1.00 72.42 C ATOM 357 O LYS A 24 9.825 3.619 8.545 1.00 54.03 O ATOM 358 CB LYS A 24 9.680 4.659 11.376 1.00 61.54 C ATOM 359 CG LYS A 24 10.021 5.246 12.734 1.00 21.32 C ATOM 360 CD LYS A 24 11.250 4.584 13.335 1.00 0.30 C ATOM 361 CE LYS A 24 10.959 3.155 13.765 1.00 24.41 C ATOM 362 NZ LYS A 24 12.073 2.580 14.570 1.00 51.21 N ATOM 0 H LYS A 24 9.518 6.166 8.877 1.00 42.01 H new ATOM 0 HA LYS A 24 11.630 5.265 10.702 1.00 53.22 H new ATOM 0 HB2 LYS A 24 8.671 4.966 11.100 1.00 61.54 H new ATOM 0 HB3 LYS A 24 9.673 3.572 11.451 1.00 61.54 H new ATOM 0 HG2 LYS A 24 10.196 6.317 12.635 1.00 21.32 H new ATOM 0 HG3 LYS A 24 9.174 5.122 13.408 1.00 21.32 H new ATOM 0 HD2 LYS A 24 12.060 4.588 12.606 1.00 0.30 H new ATOM 0 HD3 LYS A 24 11.592 5.161 14.194 1.00 0.30 H new ATOM 0 HE2 LYS A 24 10.039 3.132 14.349 1.00 24.41 H new ATOM 0 HE3 LYS A 24 10.792 2.537 12.883 1.00 24.41 H new ATOM 0 HZ1 LYS A 24 11.836 1.605 14.844 1.00 51.21 H new ATOM 0 HZ2 LYS A 24 12.946 2.579 14.004 1.00 51.21 H new ATOM 0 HZ3 LYS A 24 12.216 3.155 15.425 1.00 51.21 H new ATOM 376 N CYS A 25 11.974 3.371 9.162 1.00 51.31 N ATOM 377 CA CYS A 25 12.233 2.284 8.225 1.00 14.44 C ATOM 378 C CYS A 25 12.130 0.930 8.922 1.00 42.41 C ATOM 379 O CYS A 25 12.792 0.689 9.931 1.00 35.31 O ATOM 380 CB CYS A 25 13.618 2.444 7.597 1.00 24.51 C ATOM 381 SG CYS A 25 14.136 1.030 6.571 1.00 42.32 S ATOM 0 H CYS A 25 12.777 3.634 9.734 1.00 51.31 H new ATOM 0 HA CYS A 25 11.479 2.326 7.439 1.00 14.44 H new ATOM 0 HB2 CYS A 25 13.626 3.346 6.985 1.00 24.51 H new ATOM 0 HB3 CYS A 25 14.350 2.591 8.391 1.00 24.51 H new ATOM 386 N MET A 26 11.297 0.051 8.375 1.00 52.51 N ATOM 387 CA MET A 26 11.109 -1.279 8.943 1.00 40.44 C ATOM 388 C MET A 26 10.340 -2.177 7.979 1.00 24.41 C ATOM 389 O MET A 26 9.515 -1.704 7.199 1.00 31.34 O ATOM 390 CB MET A 26 10.365 -1.187 10.276 1.00 0.23 C ATOM 391 CG MET A 26 10.602 -2.380 11.187 1.00 35.35 C ATOM 392 SD MET A 26 10.267 -2.009 12.920 1.00 54.32 S ATOM 393 CE MET A 26 10.605 -3.596 13.678 1.00 4.41 C ATOM 0 H MET A 26 10.742 0.235 7.540 1.00 52.51 H new ATOM 0 HA MET A 26 12.093 -1.717 9.114 1.00 40.44 H new ATOM 0 HB2 MET A 26 10.673 -0.278 10.793 1.00 0.23 H new ATOM 0 HB3 MET A 26 9.296 -1.096 10.081 1.00 0.23 H new ATOM 0 HG2 MET A 26 9.968 -3.207 10.868 1.00 35.35 H new ATOM 0 HG3 MET A 26 11.635 -2.711 11.084 1.00 35.35 H new ATOM 0 HE1 MET A 26 10.442 -3.528 14.754 1.00 4.41 H new ATOM 0 HE2 MET A 26 9.939 -4.349 13.257 1.00 4.41 H new ATOM 0 HE3 MET A 26 11.640 -3.878 13.485 1.00 4.41 H new ATOM 403 N ASN A 27 10.618 -3.476 8.039 1.00 42.32 N ATOM 404 CA ASN A 27 9.953 -4.440 7.170 1.00 21.44 C ATOM 405 C ASN A 27 10.045 -4.011 5.709 1.00 14.44 C ATOM 406 O ASN A 27 9.076 -4.118 4.957 1.00 60.30 O ATOM 407 CB ASN A 27 8.486 -4.597 7.577 1.00 63.13 C ATOM 408 CG ASN A 27 7.838 -5.813 6.944 1.00 71.04 C ATOM 409 OD1 ASN A 27 8.465 -6.529 6.163 1.00 50.13 O ATOM 410 ND2 ASN A 27 6.575 -6.052 7.278 1.00 1.44 N ATOM 0 H ASN A 27 11.299 -3.884 8.680 1.00 42.32 H new ATOM 0 HA ASN A 27 10.458 -5.400 7.280 1.00 21.44 H new ATOM 0 HB2 ASN A 27 8.419 -4.676 8.662 1.00 63.13 H new ATOM 0 HB3 ASN A 27 7.934 -3.703 7.288 1.00 63.13 H new ATOM 0 HD21 ASN A 27 6.086 -6.856 6.883 1.00 1.44 H new ATOM 0 HD22 ASN A 27 6.094 -5.432 7.929 1.00 1.44 H new ATOM 417 N LYS A 28 11.216 -3.524 5.314 1.00 52.40 N ATOM 418 CA LYS A 28 11.437 -3.079 3.943 1.00 15.10 C ATOM 419 C LYS A 28 10.410 -2.025 3.541 1.00 0.41 C ATOM 420 O LYS A 28 10.010 -1.944 2.380 1.00 53.24 O ATOM 421 CB LYS A 28 11.366 -4.268 2.982 1.00 53.42 C ATOM 422 CG LYS A 28 12.367 -5.365 3.297 1.00 33.54 C ATOM 423 CD LYS A 28 13.716 -5.091 2.656 1.00 5.40 C ATOM 424 CE LYS A 28 13.697 -5.391 1.165 1.00 15.40 C ATOM 425 NZ LYS A 28 13.922 -6.836 0.887 1.00 61.00 N ATOM 0 H LYS A 28 12.028 -3.427 5.924 1.00 52.40 H new ATOM 0 HA LYS A 28 12.430 -2.633 3.887 1.00 15.10 H new ATOM 0 HB2 LYS A 28 10.360 -4.687 3.009 1.00 53.42 H new ATOM 0 HB3 LYS A 28 11.536 -3.913 1.965 1.00 53.42 H new ATOM 0 HG2 LYS A 28 12.487 -5.450 4.377 1.00 33.54 H new ATOM 0 HG3 LYS A 28 11.983 -6.322 2.943 1.00 33.54 H new ATOM 0 HD2 LYS A 28 13.990 -4.048 2.815 1.00 5.40 H new ATOM 0 HD3 LYS A 28 14.480 -5.699 3.141 1.00 5.40 H new ATOM 0 HE2 LYS A 28 12.739 -5.085 0.745 1.00 15.40 H new ATOM 0 HE3 LYS A 28 14.466 -4.801 0.666 1.00 15.40 H new ATOM 0 HZ1 LYS A 28 13.902 -6.999 -0.140 1.00 61.00 H new ATOM 0 HZ2 LYS A 28 14.848 -7.122 1.265 1.00 61.00 H new ATOM 0 HZ3 LYS A 28 13.174 -7.398 1.342 1.00 61.00 H new ATOM 439 N LYS A 29 9.988 -1.217 4.508 1.00 23.02 N ATOM 440 CA LYS A 29 9.011 -0.165 4.256 1.00 74.35 C ATOM 441 C LYS A 29 9.339 1.088 5.061 1.00 34.42 C ATOM 442 O LYS A 29 9.715 1.005 6.231 1.00 50.12 O ATOM 443 CB LYS A 29 7.603 -0.655 4.604 1.00 0.30 C ATOM 444 CG LYS A 29 6.550 0.439 4.556 1.00 73.42 C ATOM 445 CD LYS A 29 6.361 0.969 3.145 1.00 41.34 C ATOM 446 CE LYS A 29 4.962 1.530 2.943 1.00 52.54 C ATOM 447 NZ LYS A 29 4.952 2.661 1.973 1.00 22.13 N ATOM 0 H LYS A 29 10.308 -1.271 5.475 1.00 23.02 H new ATOM 0 HA LYS A 29 9.050 0.086 3.196 1.00 74.35 H new ATOM 0 HB2 LYS A 29 7.322 -1.449 3.912 1.00 0.30 H new ATOM 0 HB3 LYS A 29 7.616 -1.092 5.602 1.00 0.30 H new ATOM 0 HG2 LYS A 29 5.603 0.050 4.930 1.00 73.42 H new ATOM 0 HG3 LYS A 29 6.842 1.256 5.216 1.00 73.42 H new ATOM 0 HD2 LYS A 29 7.098 1.747 2.946 1.00 41.34 H new ATOM 0 HD3 LYS A 29 6.540 0.168 2.427 1.00 41.34 H new ATOM 0 HE2 LYS A 29 4.302 0.740 2.586 1.00 52.54 H new ATOM 0 HE3 LYS A 29 4.565 1.869 3.900 1.00 52.54 H new ATOM 0 HZ1 LYS A 29 4.173 3.310 2.205 1.00 22.13 H new ATOM 0 HZ2 LYS A 29 5.856 3.172 2.026 1.00 22.13 H new ATOM 0 HZ3 LYS A 29 4.819 2.291 1.010 1.00 22.13 H new ATOM 461 N CYS A 30 9.192 2.247 4.429 1.00 2.21 N ATOM 462 CA CYS A 30 9.472 3.518 5.087 1.00 72.12 C ATOM 463 C CYS A 30 8.177 4.256 5.417 1.00 25.54 C ATOM 464 O CYS A 30 7.367 4.534 4.534 1.00 54.01 O ATOM 465 CB CYS A 30 10.357 4.393 4.197 1.00 22.42 C ATOM 466 SG CYS A 30 11.068 5.838 5.048 1.00 45.13 S ATOM 0 H CYS A 30 8.880 2.333 3.462 1.00 2.21 H new ATOM 0 HA CYS A 30 9.999 3.308 6.018 1.00 72.12 H new ATOM 0 HB2 CYS A 30 11.168 3.784 3.798 1.00 22.42 H new ATOM 0 HB3 CYS A 30 9.770 4.738 3.346 1.00 22.42 H new ATOM 471 N ARG A 31 7.992 4.569 6.695 1.00 35.05 N ATOM 472 CA ARG A 31 6.796 5.273 7.143 1.00 1.23 C ATOM 473 C ARG A 31 7.081 6.760 7.337 1.00 23.41 C ATOM 474 O ARG A 31 8.188 7.146 7.715 1.00 15.45 O ATOM 475 CB ARG A 31 6.281 4.667 8.450 1.00 53.30 C ATOM 476 CG ARG A 31 6.281 3.147 8.458 1.00 1.33 C ATOM 477 CD ARG A 31 5.736 2.597 9.767 1.00 4.32 C ATOM 478 NE ARG A 31 4.359 3.019 10.007 1.00 73.42 N ATOM 479 CZ ARG A 31 3.304 2.434 9.450 1.00 30.54 C ATOM 480 NH1 ARG A 31 3.468 1.407 8.627 1.00 45.51 N ATOM 481 NH2 ARG A 31 2.081 2.874 9.718 1.00 43.43 N ATOM 0 H ARG A 31 8.654 4.347 7.438 1.00 35.05 H new ATOM 0 HA ARG A 31 6.031 5.164 6.374 1.00 1.23 H new ATOM 0 HB2 ARG A 31 6.897 5.026 9.275 1.00 53.30 H new ATOM 0 HB3 ARG A 31 5.267 5.023 8.631 1.00 53.30 H new ATOM 0 HG2 ARG A 31 5.679 2.778 7.628 1.00 1.33 H new ATOM 0 HG3 ARG A 31 7.296 2.781 8.303 1.00 1.33 H new ATOM 0 HD2 ARG A 31 5.784 1.508 9.750 1.00 4.32 H new ATOM 0 HD3 ARG A 31 6.366 2.931 10.591 1.00 4.32 H new ATOM 0 HE ARG A 31 4.198 3.805 10.636 1.00 73.42 H new ATOM 0 HH11 ARG A 31 4.406 1.064 8.420 1.00 45.51 H new ATOM 0 HH12 ARG A 31 2.656 0.960 8.201 1.00 45.51 H new ATOM 0 HH21 ARG A 31 1.950 3.662 10.352 1.00 43.43 H new ATOM 0 HH22 ARG A 31 1.272 2.424 9.290 1.00 43.43 H new ATOM 495 N CYS A 32 6.077 7.589 7.075 1.00 74.31 N ATOM 496 CA CYS A 32 6.218 9.033 7.219 1.00 23.50 C ATOM 497 C CYS A 32 5.633 9.507 8.546 1.00 20.31 C ATOM 498 O CYS A 32 4.563 9.060 8.960 1.00 72.13 O ATOM 499 CB CYS A 32 5.528 9.752 6.059 1.00 42.15 C ATOM 500 SG CYS A 32 5.925 9.067 4.418 1.00 41.53 S ATOM 0 H CYS A 32 5.155 7.285 6.761 1.00 74.31 H new ATOM 0 HA CYS A 32 7.281 9.272 7.205 1.00 23.50 H new ATOM 0 HB2 CYS A 32 4.449 9.707 6.208 1.00 42.15 H new ATOM 0 HB3 CYS A 32 5.809 10.805 6.079 1.00 42.15 H new ATOM 505 N TYR A 33 6.342 10.414 9.208 1.00 1.02 N ATOM 506 CA TYR A 33 5.895 10.948 10.489 1.00 32.33 C ATOM 507 C TYR A 33 6.521 12.312 10.760 1.00 43.22 C ATOM 508 O TYR A 33 7.632 12.598 10.312 1.00 32.40 O ATOM 509 CB TYR A 33 6.247 9.979 11.620 1.00 52.32 C ATOM 510 CG TYR A 33 5.266 8.838 11.767 1.00 63.35 C ATOM 511 CD1 TYR A 33 3.955 9.069 12.162 1.00 33.42 C ATOM 512 CD2 TYR A 33 5.652 7.528 11.508 1.00 34.23 C ATOM 513 CE1 TYR A 33 3.056 8.028 12.298 1.00 10.53 C ATOM 514 CE2 TYR A 33 4.759 6.482 11.640 1.00 22.53 C ATOM 515 CZ TYR A 33 3.463 6.737 12.036 1.00 72.10 C ATOM 516 OH TYR A 33 2.570 5.698 12.169 1.00 41.10 O ATOM 0 H TYR A 33 7.229 10.795 8.879 1.00 1.02 H new ATOM 0 HA TYR A 33 4.813 11.068 10.445 1.00 32.33 H new ATOM 0 HB2 TYR A 33 7.242 9.571 11.441 1.00 52.32 H new ATOM 0 HB3 TYR A 33 6.293 10.531 12.559 1.00 52.32 H new ATOM 0 HD1 TYR A 33 3.632 10.079 12.366 1.00 33.42 H new ATOM 0 HD2 TYR A 33 6.667 7.324 11.199 1.00 34.23 H new ATOM 0 HE1 TYR A 33 2.040 8.225 12.608 1.00 10.53 H new ATOM 0 HE2 TYR A 33 5.074 5.470 11.434 1.00 22.53 H new ATOM 0 HH TYR A 33 3.015 4.854 11.946 1.00 41.10 H new ATOM 526 N SER A 34 5.800 13.151 11.496 1.00 5.55 N ATOM 527 CA SER A 34 6.283 14.488 11.825 1.00 32.22 C ATOM 528 C SER A 34 5.923 14.857 13.261 1.00 24.02 C ATOM 529 O SER A 34 5.099 14.199 13.894 1.00 51.22 O ATOM 530 CB SER A 34 5.694 15.518 10.859 1.00 33.52 C ATOM 531 OG SER A 34 4.301 15.673 11.067 1.00 14.31 O ATOM 0 H SER A 34 4.880 12.929 11.876 1.00 5.55 H new ATOM 0 HA SER A 34 7.369 14.489 11.729 1.00 32.22 H new ATOM 0 HB2 SER A 34 6.194 16.477 10.995 1.00 33.52 H new ATOM 0 HB3 SER A 34 5.879 15.205 9.831 1.00 33.52 H new ATOM 0 HG SER A 34 3.811 15.111 10.431 1.00 14.31 H new TER 537 SER A 34