USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 510 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 37 TYR OH : rot -151:sc= 1.89 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -179:sc= 2.16 (180deg=1.37) USER MOD Set 2.1: A 34 GLN : amide:sc= 2.36 K(o=3.2,f=-5.4!) USER MOD Set 2.2: A 35 ASN : amide:sc= 0.815 K(o=3.2,f=0.95) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0.0223 USER MOD Set 3.2: A 44 LYS NZ :NH3+ -138:sc= 0.781 (180deg=0.045) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.0155 (180deg=-0.0511) USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0.958) USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= 1.43 (180deg=1.43) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= 1.15 (180deg=1.05) USER MOD Single : A 29 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.23) USER MOD Single : A 32 SER OG : rot 180:sc= 0.264 USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 0.546 (180deg=0.424) USER MOD Single : A 42 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.51) USER MOD Single : A 51 ASN : amide:sc= 0.283 K(o=0.28,f=-0.22) USER MOD Single : A 52 TYR OH : rot -43:sc= 1.05 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.905 3.114 3.564 1.00 0.00 N ATOM 2 CA MET A 1 11.924 1.735 4.039 1.00 0.00 C ATOM 3 C MET A 1 11.070 0.841 3.116 1.00 0.00 C ATOM 4 O MET A 1 10.070 0.263 3.539 1.00 0.00 O ATOM 5 CB MET A 1 11.531 1.688 5.535 1.00 0.00 C ATOM 6 CG MET A 1 10.121 2.213 5.877 1.00 0.00 C ATOM 7 SD MET A 1 9.737 2.327 7.646 1.00 0.00 S ATOM 8 CE MET A 1 10.504 3.921 8.034 1.00 0.00 C ATOM 0 H1 MET A 1 12.413 3.721 4.239 1.00 0.00 H new ATOM 0 H2 MET A 1 12.368 3.167 2.634 1.00 0.00 H new ATOM 0 H3 MET A 1 10.921 3.438 3.479 1.00 0.00 H new ATOM 0 HA MET A 1 12.932 1.323 3.986 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.607 0.656 5.879 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.261 2.267 6.101 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.003 3.202 5.433 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.386 1.562 5.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.360 4.146 9.091 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.571 3.874 7.815 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.044 4.703 7.430 1.00 0.00 H new ATOM 19 N GLU A 2 11.472 0.735 1.838 1.00 0.00 N ATOM 20 CA GLU A 2 10.695 0.107 0.768 1.00 0.00 C ATOM 21 C GLU A 2 10.339 -1.369 1.033 1.00 0.00 C ATOM 22 O GLU A 2 11.022 -2.067 1.783 1.00 0.00 O ATOM 23 CB GLU A 2 11.407 0.297 -0.585 1.00 0.00 C ATOM 24 CG GLU A 2 12.735 -0.469 -0.707 1.00 0.00 C ATOM 25 CD GLU A 2 13.399 -0.215 -2.062 1.00 0.00 C ATOM 26 OE1 GLU A 2 13.981 0.881 -2.213 1.00 0.00 O ATOM 27 OE2 GLU A 2 13.299 -1.112 -2.928 1.00 0.00 O ATOM 0 H GLU A 2 12.371 1.095 1.517 1.00 0.00 H new ATOM 0 HA GLU A 2 9.733 0.619 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.739 -0.025 -1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.597 1.359 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.409 -0.164 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.555 -1.537 -0.582 1.00 0.00 H new ATOM 34 N ALA A 3 9.241 -1.821 0.411 1.00 0.00 N ATOM 35 CA ALA A 3 8.628 -3.136 0.590 1.00 0.00 C ATOM 36 C ALA A 3 8.255 -3.773 -0.763 1.00 0.00 C ATOM 37 O ALA A 3 8.359 -3.136 -1.811 1.00 0.00 O ATOM 38 CB ALA A 3 7.397 -2.969 1.492 1.00 0.00 C ATOM 0 H ALA A 3 8.734 -1.247 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 3 9.340 -3.814 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.921 -3.938 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.705 -2.564 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.690 -2.286 1.020 1.00 0.00 H new ATOM 44 N ILE A 4 7.822 -5.042 -0.730 1.00 0.00 N ATOM 45 CA ILE A 4 7.450 -5.850 -1.896 1.00 0.00 C ATOM 46 C ILE A 4 5.946 -6.166 -1.844 1.00 0.00 C ATOM 47 O ILE A 4 5.413 -6.481 -0.783 1.00 0.00 O ATOM 48 CB ILE A 4 8.299 -7.143 -1.924 1.00 0.00 C ATOM 49 CG1 ILE A 4 9.820 -6.867 -1.922 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.921 -8.044 -3.114 1.00 0.00 C ATOM 51 CD1 ILE A 4 10.329 -6.056 -3.122 1.00 0.00 C ATOM 0 H ILE A 4 7.718 -5.552 0.147 1.00 0.00 H new ATOM 0 HA ILE A 4 7.649 -5.295 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 4 8.066 -7.670 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 4 10.077 -6.335 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.348 -7.820 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.538 -8.942 -3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.870 -8.324 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.087 -7.504 -4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.406 -5.913 -3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.109 -6.594 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.834 -5.085 -3.141 1.00 0.00 H new ATOM 63 N ALA A 5 5.257 -6.104 -2.991 1.00 0.00 N ATOM 64 CA ALA A 5 3.827 -6.381 -3.107 1.00 0.00 C ATOM 65 C ALA A 5 3.515 -7.864 -2.849 1.00 0.00 C ATOM 66 O ALA A 5 4.068 -8.744 -3.510 1.00 0.00 O ATOM 67 CB ALA A 5 3.339 -5.970 -4.496 1.00 0.00 C ATOM 0 H ALA A 5 5.691 -5.854 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 5 3.303 -5.800 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.272 -6.177 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.515 -4.904 -4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.881 -6.535 -5.254 1.00 0.00 H new ATOM 73 N LYS A 6 2.600 -8.123 -1.904 1.00 0.00 N ATOM 74 CA LYS A 6 2.181 -9.449 -1.452 1.00 0.00 C ATOM 75 C LYS A 6 1.000 -9.963 -2.288 1.00 0.00 C ATOM 76 O LYS A 6 1.019 -11.109 -2.735 1.00 0.00 O ATOM 77 CB LYS A 6 1.818 -9.373 0.045 1.00 0.00 C ATOM 78 CG LYS A 6 1.832 -10.742 0.740 1.00 0.00 C ATOM 79 CD LYS A 6 1.621 -10.572 2.255 1.00 0.00 C ATOM 80 CE LYS A 6 1.866 -11.889 3.005 1.00 0.00 C ATOM 81 NZ LYS A 6 2.040 -11.660 4.452 1.00 0.00 N ATOM 0 H LYS A 6 2.111 -7.375 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 6 2.999 -10.157 -1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.520 -8.709 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.828 -8.929 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.049 -11.376 0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.781 -11.244 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.296 -9.804 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.605 -10.226 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.027 -12.565 2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.753 -12.379 2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.916 -12.557 4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.994 -11.288 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.333 -10.973 4.782 1.00 0.00 H new ATOM 95 N VAL A 7 -0.021 -9.113 -2.489 1.00 0.00 N ATOM 96 CA VAL A 7 -1.232 -9.379 -3.271 1.00 0.00 C ATOM 97 C VAL A 7 -1.491 -8.203 -4.236 1.00 0.00 C ATOM 98 O VAL A 7 -1.163 -7.057 -3.926 1.00 0.00 O ATOM 99 CB VAL A 7 -2.427 -9.627 -2.320 1.00 0.00 C ATOM 100 CG1 VAL A 7 -3.726 -9.907 -3.096 1.00 0.00 C ATOM 101 CG2 VAL A 7 -2.161 -10.813 -1.374 1.00 0.00 C ATOM 0 H VAL A 7 -0.020 -8.175 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.101 -10.279 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.543 -8.713 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.541 -10.076 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.964 -9.051 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.595 -10.792 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.022 -10.958 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.995 -11.716 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.278 -10.606 -0.770 1.00 0.00 H new ATOM 111 N ASP A 8 -2.081 -8.488 -5.407 1.00 0.00 N ATOM 112 CA ASP A 8 -2.394 -7.521 -6.458 1.00 0.00 C ATOM 113 C ASP A 8 -3.533 -6.574 -6.028 1.00 0.00 C ATOM 114 O ASP A 8 -4.714 -6.868 -6.218 1.00 0.00 O ATOM 115 CB ASP A 8 -2.665 -8.249 -7.794 1.00 0.00 C ATOM 116 CG ASP A 8 -3.709 -9.368 -7.717 1.00 0.00 C ATOM 117 OD1 ASP A 8 -3.454 -10.336 -6.966 1.00 0.00 O ATOM 118 OD2 ASP A 8 -4.734 -9.248 -8.423 1.00 0.00 O ATOM 0 H ASP A 8 -2.362 -9.437 -5.652 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.528 -6.880 -6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.993 -7.516 -8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.728 -8.670 -8.158 1.00 0.00 H new ATOM 123 N PHE A 9 -3.157 -5.434 -5.430 1.00 0.00 N ATOM 124 CA PHE A 9 -4.047 -4.455 -4.810 1.00 0.00 C ATOM 125 C PHE A 9 -4.745 -3.534 -5.827 1.00 0.00 C ATOM 126 O PHE A 9 -4.168 -3.165 -6.850 1.00 0.00 O ATOM 127 CB PHE A 9 -3.236 -3.626 -3.807 1.00 0.00 C ATOM 128 CG PHE A 9 -4.029 -2.541 -3.101 1.00 0.00 C ATOM 129 CD1 PHE A 9 -5.185 -2.863 -2.354 1.00 0.00 C ATOM 130 CD2 PHE A 9 -3.744 -1.192 -3.394 1.00 0.00 C ATOM 131 CE1 PHE A 9 -6.055 -1.839 -1.922 1.00 0.00 C ATOM 132 CE2 PHE A 9 -4.610 -0.168 -2.967 1.00 0.00 C ATOM 133 CZ PHE A 9 -5.775 -0.495 -2.246 1.00 0.00 C ATOM 0 H PHE A 9 -2.176 -5.161 -5.365 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.845 -5.002 -4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.814 -4.296 -3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.398 -3.164 -4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.403 -3.893 -2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.853 -0.942 -3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.934 -2.084 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.382 0.864 -3.191 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.456 0.286 -1.940 1.00 0.00 H new ATOM 143 N LYS A 10 -5.996 -3.163 -5.507 1.00 0.00 N ATOM 144 CA LYS A 10 -6.903 -2.360 -6.325 1.00 0.00 C ATOM 145 C LYS A 10 -7.813 -1.516 -5.409 1.00 0.00 C ATOM 146 O LYS A 10 -8.302 -2.019 -4.396 1.00 0.00 O ATOM 147 CB LYS A 10 -7.768 -3.283 -7.212 1.00 0.00 C ATOM 148 CG LYS A 10 -6.962 -4.346 -7.978 1.00 0.00 C ATOM 149 CD LYS A 10 -7.867 -5.246 -8.835 1.00 0.00 C ATOM 150 CE LYS A 10 -7.105 -6.476 -9.356 1.00 0.00 C ATOM 151 NZ LYS A 10 -6.745 -7.408 -8.268 1.00 0.00 N ATOM 0 H LYS A 10 -6.420 -3.434 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.319 -1.698 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.507 -3.783 -6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.317 -2.672 -7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.229 -3.854 -8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.406 -4.960 -7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.724 -5.570 -8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.258 -4.675 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.718 -6.997 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.200 -6.151 -9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.248 -8.230 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.125 -6.924 -7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.609 -7.726 -7.784 1.00 0.00 H new ATOM 165 N ALA A 11 -8.073 -0.253 -5.782 1.00 0.00 N ATOM 166 CA ALA A 11 -9.032 0.637 -5.118 1.00 0.00 C ATOM 167 C ALA A 11 -9.499 1.770 -6.050 1.00 0.00 C ATOM 168 O ALA A 11 -8.926 1.997 -7.116 1.00 0.00 O ATOM 169 CB ALA A 11 -8.457 1.172 -3.799 1.00 0.00 C ATOM 0 H ALA A 11 -7.608 0.187 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.919 0.052 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.186 1.829 -3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.234 0.337 -3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.542 1.729 -4.000 1.00 0.00 H new ATOM 175 N THR A 12 -10.563 2.469 -5.627 1.00 0.00 N ATOM 176 CA THR A 12 -11.233 3.558 -6.347 1.00 0.00 C ATOM 177 C THR A 12 -10.980 4.923 -5.677 1.00 0.00 C ATOM 178 O THR A 12 -10.864 5.929 -6.375 1.00 0.00 O ATOM 179 CB THR A 12 -12.745 3.255 -6.437 1.00 0.00 C ATOM 180 OG1 THR A 12 -12.951 2.008 -7.073 1.00 0.00 O ATOM 181 CG2 THR A 12 -13.514 4.325 -7.226 1.00 0.00 C ATOM 0 H THR A 12 -11.001 2.278 -4.726 1.00 0.00 H new ATOM 0 HA THR A 12 -10.818 3.619 -7.353 1.00 0.00 H new ATOM 0 HB THR A 12 -13.121 3.242 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.912 1.822 -7.125 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.572 4.063 -7.259 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.395 5.293 -6.738 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.122 4.380 -8.242 1.00 0.00 H new ATOM 189 N ALA A 13 -10.933 4.963 -4.334 1.00 0.00 N ATOM 190 CA ALA A 13 -10.850 6.176 -3.514 1.00 0.00 C ATOM 191 C ALA A 13 -9.705 7.124 -3.915 1.00 0.00 C ATOM 192 O ALA A 13 -8.654 6.678 -4.380 1.00 0.00 O ATOM 193 CB ALA A 13 -10.717 5.777 -2.037 1.00 0.00 C ATOM 0 H ALA A 13 -10.953 4.113 -3.770 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.770 6.736 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.655 6.675 -1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.587 5.192 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.815 5.181 -1.901 1.00 0.00 H new ATOM 199 N ASP A 14 -9.920 8.433 -3.705 1.00 0.00 N ATOM 200 CA ASP A 14 -9.024 9.531 -4.075 1.00 0.00 C ATOM 201 C ASP A 14 -7.824 9.629 -3.109 1.00 0.00 C ATOM 202 O ASP A 14 -7.637 10.633 -2.422 1.00 0.00 O ATOM 203 CB ASP A 14 -9.840 10.839 -4.138 1.00 0.00 C ATOM 204 CG ASP A 14 -11.016 10.753 -5.114 1.00 0.00 C ATOM 205 OD1 ASP A 14 -12.088 10.281 -4.673 1.00 0.00 O ATOM 206 OD2 ASP A 14 -10.822 11.151 -6.284 1.00 0.00 O ATOM 0 H ASP A 14 -10.769 8.767 -3.249 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.597 9.341 -5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.215 11.077 -3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.185 11.658 -4.436 1.00 0.00 H new ATOM 211 N ASP A 15 -7.014 8.565 -3.080 1.00 0.00 N ATOM 212 CA ASP A 15 -5.858 8.359 -2.213 1.00 0.00 C ATOM 213 C ASP A 15 -5.008 7.188 -2.736 1.00 0.00 C ATOM 214 O ASP A 15 -3.785 7.306 -2.803 1.00 0.00 O ATOM 215 CB ASP A 15 -6.309 8.054 -0.766 1.00 0.00 C ATOM 216 CG ASP A 15 -6.569 9.293 0.092 1.00 0.00 C ATOM 217 OD1 ASP A 15 -5.631 10.111 0.212 1.00 0.00 O ATOM 218 OD2 ASP A 15 -7.666 9.358 0.688 1.00 0.00 O ATOM 0 H ASP A 15 -7.163 7.773 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.264 9.273 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.219 7.455 -0.801 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.545 7.446 -0.281 1.00 0.00 H new ATOM 223 N GLU A 16 -5.654 6.055 -3.059 1.00 0.00 N ATOM 224 CA GLU A 16 -5.027 4.773 -3.361 1.00 0.00 C ATOM 225 C GLU A 16 -3.888 4.799 -4.395 1.00 0.00 C ATOM 226 O GLU A 16 -3.775 5.707 -5.219 1.00 0.00 O ATOM 227 CB GLU A 16 -6.114 3.757 -3.768 1.00 0.00 C ATOM 228 CG GLU A 16 -6.496 3.807 -5.265 1.00 0.00 C ATOM 229 CD GLU A 16 -5.650 2.870 -6.143 1.00 0.00 C ATOM 230 OE1 GLU A 16 -5.628 1.660 -5.827 1.00 0.00 O ATOM 231 OE2 GLU A 16 -5.035 3.369 -7.111 1.00 0.00 O ATOM 0 H GLU A 16 -6.672 6.014 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.528 4.473 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.766 2.753 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.007 3.938 -3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.548 3.542 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.386 4.829 -5.627 1.00 0.00 H new ATOM 238 N LEU A 17 -3.074 3.740 -4.350 1.00 0.00 N ATOM 239 CA LEU A 17 -2.053 3.388 -5.326 1.00 0.00 C ATOM 240 C LEU A 17 -2.162 1.882 -5.564 1.00 0.00 C ATOM 241 O LEU A 17 -1.911 1.095 -4.655 1.00 0.00 O ATOM 242 CB LEU A 17 -0.664 3.785 -4.815 1.00 0.00 C ATOM 243 CG LEU A 17 0.494 3.226 -5.661 1.00 0.00 C ATOM 244 CD1 LEU A 17 0.601 3.981 -6.989 1.00 0.00 C ATOM 245 CD2 LEU A 17 1.809 3.359 -4.894 1.00 0.00 C ATOM 0 H LEU A 17 -3.118 3.069 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.201 3.923 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.593 4.872 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.552 3.437 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 17 0.295 2.174 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.425 3.573 -7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.329 3.871 -7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.784 5.038 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.624 2.962 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.998 4.410 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.744 2.800 -3.960 1.00 0.00 H new ATOM 257 N SER A 18 -2.519 1.505 -6.795 1.00 0.00 N ATOM 258 CA SER A 18 -2.784 0.138 -7.246 1.00 0.00 C ATOM 259 C SER A 18 -1.506 -0.510 -7.795 1.00 0.00 C ATOM 260 O SER A 18 -0.681 0.162 -8.416 1.00 0.00 O ATOM 261 CB SER A 18 -3.906 0.137 -8.301 1.00 0.00 C ATOM 262 OG SER A 18 -3.691 1.120 -9.297 1.00 0.00 O ATOM 0 H SER A 18 -2.637 2.185 -7.546 1.00 0.00 H new ATOM 0 HA SER A 18 -3.115 -0.455 -6.393 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.966 -0.846 -8.767 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.864 0.317 -7.813 1.00 0.00 H new ATOM 0 HG SER A 18 -4.421 1.089 -9.950 1.00 0.00 H new ATOM 268 N PHE A 19 -1.344 -1.821 -7.566 1.00 0.00 N ATOM 269 CA PHE A 19 -0.130 -2.565 -7.909 1.00 0.00 C ATOM 270 C PHE A 19 -0.408 -4.065 -8.094 1.00 0.00 C ATOM 271 O PHE A 19 -1.428 -4.579 -7.637 1.00 0.00 O ATOM 272 CB PHE A 19 0.948 -2.309 -6.838 1.00 0.00 C ATOM 273 CG PHE A 19 0.535 -2.608 -5.402 1.00 0.00 C ATOM 274 CD1 PHE A 19 0.592 -3.929 -4.905 1.00 0.00 C ATOM 275 CD2 PHE A 19 0.135 -1.559 -4.543 1.00 0.00 C ATOM 276 CE1 PHE A 19 0.343 -4.185 -3.539 1.00 0.00 C ATOM 277 CE2 PHE A 19 -0.158 -1.822 -3.188 1.00 0.00 C ATOM 278 CZ PHE A 19 -0.027 -3.131 -2.678 1.00 0.00 C ATOM 0 H PHE A 19 -2.063 -2.399 -7.132 1.00 0.00 H new ATOM 0 HA PHE A 19 0.239 -2.206 -8.870 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.823 -2.912 -7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.254 -1.265 -6.899 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.827 -4.746 -5.572 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.053 -0.552 -4.925 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.436 -5.189 -3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.483 -1.021 -2.541 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.210 -3.325 -1.631 1.00 0.00 H new ATOM 288 N LYS A 20 0.525 -4.761 -8.760 1.00 0.00 N ATOM 289 CA LYS A 20 0.547 -6.214 -8.942 1.00 0.00 C ATOM 290 C LYS A 20 1.520 -6.876 -7.949 1.00 0.00 C ATOM 291 O LYS A 20 2.310 -6.203 -7.288 1.00 0.00 O ATOM 292 CB LYS A 20 0.938 -6.550 -10.392 1.00 0.00 C ATOM 293 CG LYS A 20 -0.095 -6.042 -11.410 1.00 0.00 C ATOM 294 CD LYS A 20 0.286 -6.503 -12.825 1.00 0.00 C ATOM 295 CE LYS A 20 -0.748 -6.034 -13.856 1.00 0.00 C ATOM 296 NZ LYS A 20 -0.407 -6.506 -15.211 1.00 0.00 N ATOM 0 H LYS A 20 1.320 -4.302 -9.206 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.450 -6.608 -8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.910 -6.110 -10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.046 -7.630 -10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.086 -6.416 -11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.146 -4.954 -11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.269 -6.110 -13.086 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.361 -7.590 -12.849 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.735 -6.403 -13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.802 -4.945 -13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.125 -6.173 -15.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.525 -6.133 -15.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.380 -7.546 -15.220 1.00 0.00 H new ATOM 310 N ARG A 21 1.472 -8.212 -7.854 1.00 0.00 N ATOM 311 CA ARG A 21 2.334 -9.016 -6.994 1.00 0.00 C ATOM 312 C ARG A 21 3.807 -8.889 -7.429 1.00 0.00 C ATOM 313 O ARG A 21 4.108 -8.994 -8.618 1.00 0.00 O ATOM 314 CB ARG A 21 1.874 -10.486 -7.031 1.00 0.00 C ATOM 315 CG ARG A 21 0.367 -10.648 -6.763 1.00 0.00 C ATOM 316 CD ARG A 21 -0.035 -12.100 -6.477 1.00 0.00 C ATOM 317 NE ARG A 21 0.396 -12.518 -5.133 1.00 0.00 N ATOM 318 CZ ARG A 21 0.190 -13.717 -4.566 1.00 0.00 C ATOM 319 NH1 ARG A 21 -0.381 -14.721 -5.241 1.00 0.00 N ATOM 320 NH2 ARG A 21 0.558 -13.905 -3.296 1.00 0.00 N ATOM 0 H ARG A 21 0.811 -8.774 -8.391 1.00 0.00 H new ATOM 0 HA ARG A 21 2.258 -8.649 -5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.113 -10.912 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.433 -11.055 -6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.085 -10.024 -5.915 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.192 -10.285 -7.626 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.117 -12.204 -6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.409 -12.757 -7.225 1.00 0.00 H new ATOM 0 HE ARG A 21 0.901 -11.828 -4.577 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.671 -14.585 -6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.526 -15.623 -4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.989 -13.143 -2.772 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.408 -14.810 -2.850 1.00 0.00 H new ATOM 334 N GLY A 22 4.719 -8.656 -6.472 1.00 0.00 N ATOM 335 CA GLY A 22 6.148 -8.468 -6.726 1.00 0.00 C ATOM 336 C GLY A 22 6.585 -6.998 -6.860 1.00 0.00 C ATOM 337 O GLY A 22 7.748 -6.698 -6.589 1.00 0.00 O ATOM 0 H GLY A 22 4.475 -8.593 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.712 -8.929 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.414 -8.998 -7.641 1.00 0.00 H new ATOM 341 N ASP A 23 5.689 -6.086 -7.277 1.00 0.00 N ATOM 342 CA ASP A 23 5.949 -4.662 -7.478 1.00 0.00 C ATOM 343 C ASP A 23 6.618 -4.015 -6.254 1.00 0.00 C ATOM 344 O ASP A 23 6.273 -4.308 -5.109 1.00 0.00 O ATOM 345 CB ASP A 23 4.633 -3.920 -7.798 1.00 0.00 C ATOM 346 CG ASP A 23 3.960 -4.305 -9.119 1.00 0.00 C ATOM 347 OD1 ASP A 23 4.379 -5.311 -9.732 1.00 0.00 O ATOM 348 OD2 ASP A 23 3.010 -3.580 -9.492 1.00 0.00 O ATOM 0 H ASP A 23 4.724 -6.339 -7.490 1.00 0.00 H new ATOM 0 HA ASP A 23 6.638 -4.577 -8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.929 -4.100 -6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.835 -2.849 -7.813 1.00 0.00 H new ATOM 353 N ILE A 24 7.568 -3.113 -6.517 1.00 0.00 N ATOM 354 CA ILE A 24 8.260 -2.313 -5.506 1.00 0.00 C ATOM 355 C ILE A 24 7.360 -1.160 -5.028 1.00 0.00 C ATOM 356 O ILE A 24 6.907 -0.347 -5.833 1.00 0.00 O ATOM 357 CB ILE A 24 9.635 -1.828 -6.028 1.00 0.00 C ATOM 358 CG1 ILE A 24 9.528 -0.842 -7.214 1.00 0.00 C ATOM 359 CG2 ILE A 24 10.444 -1.213 -4.870 1.00 0.00 C ATOM 360 CD1 ILE A 24 10.862 -0.636 -7.943 1.00 0.00 C ATOM 0 H ILE A 24 7.885 -2.915 -7.466 1.00 0.00 H new ATOM 0 HA ILE A 24 8.466 -2.938 -4.637 1.00 0.00 H new ATOM 0 HB ILE A 24 10.157 -2.702 -6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.787 -1.213 -7.922 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.167 0.120 -6.849 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.411 -0.873 -5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.897 -0.367 -4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.597 -1.963 -4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.723 0.066 -8.765 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.600 -0.237 -7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.213 -1.590 -8.336 1.00 0.00 H new ATOM 372 N LEU A 25 7.097 -1.101 -3.714 1.00 0.00 N ATOM 373 CA LEU A 25 6.387 -0.021 -3.037 1.00 0.00 C ATOM 374 C LEU A 25 7.370 0.688 -2.095 1.00 0.00 C ATOM 375 O LEU A 25 7.665 0.201 -1.003 1.00 0.00 O ATOM 376 CB LEU A 25 5.159 -0.556 -2.275 1.00 0.00 C ATOM 377 CG LEU A 25 3.942 -0.955 -3.138 1.00 0.00 C ATOM 378 CD1 LEU A 25 3.498 0.171 -4.086 1.00 0.00 C ATOM 379 CD2 LEU A 25 4.150 -2.252 -3.928 1.00 0.00 C ATOM 0 H LEU A 25 7.388 -1.839 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 25 6.011 0.692 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.468 -1.426 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.839 0.205 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 25 3.144 -1.137 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.639 -0.162 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.222 1.050 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.317 0.425 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.255 -2.470 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.001 -2.137 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.342 -3.072 -3.236 1.00 0.00 H new ATOM 391 N LYS A 26 7.856 1.856 -2.530 1.00 0.00 N ATOM 392 CA LYS A 26 8.799 2.720 -1.830 1.00 0.00 C ATOM 393 C LYS A 26 7.994 3.695 -0.961 1.00 0.00 C ATOM 394 O LYS A 26 7.411 4.640 -1.488 1.00 0.00 O ATOM 395 CB LYS A 26 9.645 3.429 -2.906 1.00 0.00 C ATOM 396 CG LYS A 26 10.572 4.551 -2.413 1.00 0.00 C ATOM 397 CD LYS A 26 11.168 5.252 -3.647 1.00 0.00 C ATOM 398 CE LYS A 26 11.851 6.583 -3.307 1.00 0.00 C ATOM 399 NZ LYS A 26 12.172 7.334 -4.536 1.00 0.00 N ATOM 0 H LYS A 26 7.582 2.241 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 26 9.473 2.176 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.254 2.679 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.969 3.847 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.017 5.263 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.365 4.143 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.892 4.589 -4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.376 5.431 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.198 7.180 -2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.763 6.395 -2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.459 8.302 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.950 6.861 -5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.333 7.369 -5.150 1.00 0.00 H new ATOM 413 N VAL A 27 7.979 3.488 0.365 1.00 0.00 N ATOM 414 CA VAL A 27 7.096 4.191 1.293 1.00 0.00 C ATOM 415 C VAL A 27 7.762 5.486 1.775 1.00 0.00 C ATOM 416 O VAL A 27 8.872 5.471 2.306 1.00 0.00 O ATOM 417 CB VAL A 27 6.682 3.282 2.474 1.00 0.00 C ATOM 418 CG1 VAL A 27 5.523 2.365 2.064 1.00 0.00 C ATOM 419 CG2 VAL A 27 7.809 2.432 3.077 1.00 0.00 C ATOM 0 H VAL A 27 8.592 2.815 0.825 1.00 0.00 H new ATOM 0 HA VAL A 27 6.180 4.458 0.767 1.00 0.00 H new ATOM 0 HB VAL A 27 6.379 3.975 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.244 1.732 2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.667 2.971 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.833 1.739 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.414 1.832 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.218 1.774 2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.596 3.085 3.453 1.00 0.00 H new ATOM 429 N LEU A 28 7.070 6.610 1.536 1.00 0.00 N ATOM 430 CA LEU A 28 7.575 7.966 1.729 1.00 0.00 C ATOM 431 C LEU A 28 7.194 8.486 3.122 1.00 0.00 C ATOM 432 O LEU A 28 8.068 8.691 3.963 1.00 0.00 O ATOM 433 CB LEU A 28 7.055 8.903 0.616 1.00 0.00 C ATOM 434 CG LEU A 28 7.255 8.398 -0.828 1.00 0.00 C ATOM 435 CD1 LEU A 28 6.699 9.449 -1.802 1.00 0.00 C ATOM 436 CD2 LEU A 28 8.728 8.113 -1.153 1.00 0.00 C ATOM 0 H LEU A 28 6.110 6.593 1.191 1.00 0.00 H new ATOM 0 HA LEU A 28 8.663 7.947 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.991 9.074 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.552 9.868 0.717 1.00 0.00 H new ATOM 0 HG LEU A 28 6.720 7.454 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.835 9.103 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.637 9.600 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.230 10.391 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.812 7.760 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.310 9.027 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.109 7.349 -0.475 1.00 0.00 H new ATOM 448 N ASN A 29 5.893 8.731 3.347 1.00 0.00 N ATOM 449 CA ASN A 29 5.355 9.384 4.542 1.00 0.00 C ATOM 450 C ASN A 29 3.933 8.890 4.866 1.00 0.00 C ATOM 451 O ASN A 29 3.254 8.298 4.026 1.00 0.00 O ATOM 452 CB ASN A 29 5.350 10.915 4.351 1.00 0.00 C ATOM 453 CG ASN A 29 6.752 11.511 4.197 1.00 0.00 C ATOM 454 OD1 ASN A 29 7.436 11.763 5.185 1.00 0.00 O ATOM 455 ND2 ASN A 29 7.190 11.750 2.960 1.00 0.00 N ATOM 0 H ASN A 29 5.168 8.470 2.679 1.00 0.00 H new ATOM 0 HA ASN A 29 5.999 9.124 5.382 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.759 11.162 3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.857 11.379 5.205 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.116 12.153 2.816 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.599 11.530 2.158 1.00 0.00 H new ATOM 462 N GLU A 30 3.492 9.185 6.096 1.00 0.00 N ATOM 463 CA GLU A 30 2.141 8.973 6.614 1.00 0.00 C ATOM 464 C GLU A 30 2.046 9.610 8.014 1.00 0.00 C ATOM 465 O GLU A 30 1.892 10.828 8.110 1.00 0.00 O ATOM 466 CB GLU A 30 1.731 7.484 6.564 1.00 0.00 C ATOM 467 CG GLU A 30 2.813 6.505 7.076 1.00 0.00 C ATOM 468 CD GLU A 30 2.237 5.473 8.043 1.00 0.00 C ATOM 469 OE1 GLU A 30 2.021 5.865 9.210 1.00 0.00 O ATOM 470 OE2 GLU A 30 2.008 4.324 7.610 1.00 0.00 O ATOM 0 H GLU A 30 4.108 9.602 6.794 1.00 0.00 H new ATOM 0 HA GLU A 30 1.410 9.469 5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.826 7.349 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.480 7.223 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.269 5.993 6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.604 7.066 7.573 1.00 0.00 H new ATOM 477 N GLU A 31 2.159 8.811 9.086 1.00 0.00 N ATOM 478 CA GLU A 31 2.164 9.248 10.483 1.00 0.00 C ATOM 479 C GLU A 31 3.321 8.592 11.251 1.00 0.00 C ATOM 480 O GLU A 31 4.134 9.279 11.869 1.00 0.00 O ATOM 481 CB GLU A 31 0.805 8.936 11.137 1.00 0.00 C ATOM 482 CG GLU A 31 -0.346 9.685 10.446 1.00 0.00 C ATOM 483 CD GLU A 31 -1.665 9.524 11.197 1.00 0.00 C ATOM 484 OE1 GLU A 31 -1.812 10.192 12.244 1.00 0.00 O ATOM 485 OE2 GLU A 31 -2.512 8.742 10.712 1.00 0.00 O ATOM 0 H GLU A 31 2.253 7.799 8.995 1.00 0.00 H new ATOM 0 HA GLU A 31 2.318 10.327 10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.618 7.863 11.093 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.837 9.211 12.191 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.097 10.744 10.373 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.461 9.313 9.428 1.00 0.00 H new ATOM 492 N SER A 32 3.374 7.256 11.214 1.00 0.00 N ATOM 493 CA SER A 32 4.370 6.415 11.872 1.00 0.00 C ATOM 494 C SER A 32 4.369 5.016 11.237 1.00 0.00 C ATOM 495 O SER A 32 5.269 4.680 10.468 1.00 0.00 O ATOM 496 CB SER A 32 4.136 6.384 13.397 1.00 0.00 C ATOM 497 OG SER A 32 2.826 5.961 13.727 1.00 0.00 O ATOM 0 H SER A 32 2.687 6.708 10.697 1.00 0.00 H new ATOM 0 HA SER A 32 5.364 6.838 11.724 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.860 5.714 13.861 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.310 7.377 13.810 1.00 0.00 H new ATOM 0 HG SER A 32 2.720 5.954 14.701 1.00 0.00 H new ATOM 503 N ASP A 33 3.347 4.216 11.565 1.00 0.00 N ATOM 504 CA ASP A 33 3.123 2.861 11.059 1.00 0.00 C ATOM 505 C ASP A 33 1.610 2.573 10.984 1.00 0.00 C ATOM 506 O ASP A 33 1.115 1.560 11.480 1.00 0.00 O ATOM 507 CB ASP A 33 3.917 1.887 11.949 1.00 0.00 C ATOM 508 CG ASP A 33 3.977 0.463 11.398 1.00 0.00 C ATOM 509 OD1 ASP A 33 4.475 0.307 10.262 1.00 0.00 O ATOM 510 OD2 ASP A 33 3.510 -0.454 12.109 1.00 0.00 O ATOM 0 H ASP A 33 2.623 4.511 12.220 1.00 0.00 H new ATOM 0 HA ASP A 33 3.487 2.737 10.039 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.933 2.264 12.069 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.466 1.865 12.941 1.00 0.00 H new ATOM 515 N GLN A 34 0.884 3.497 10.345 1.00 0.00 N ATOM 516 CA GLN A 34 -0.571 3.531 10.188 1.00 0.00 C ATOM 517 C GLN A 34 -1.087 2.383 9.296 1.00 0.00 C ATOM 518 O GLN A 34 -0.323 1.716 8.596 1.00 0.00 O ATOM 519 CB GLN A 34 -0.954 4.929 9.640 1.00 0.00 C ATOM 520 CG GLN A 34 -2.453 5.264 9.521 1.00 0.00 C ATOM 521 CD GLN A 34 -3.203 5.131 10.847 1.00 0.00 C ATOM 522 OE1 GLN A 34 -3.727 4.066 11.161 1.00 0.00 O ATOM 523 NE2 GLN A 34 -3.272 6.202 11.635 1.00 0.00 N ATOM 0 H GLN A 34 1.330 4.295 9.893 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.053 3.373 11.153 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.492 5.679 10.282 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.507 5.036 8.652 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.563 6.282 9.148 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.910 4.603 8.784 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.827 7.075 11.350 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.769 6.150 12.524 1.00 0.00 H new ATOM 532 N ASN A 35 -2.411 2.172 9.318 1.00 0.00 N ATOM 533 CA ASN A 35 -3.161 1.274 8.437 1.00 0.00 C ATOM 534 C ASN A 35 -2.879 1.478 6.932 1.00 0.00 C ATOM 535 O ASN A 35 -3.131 0.560 6.152 1.00 0.00 O ATOM 536 CB ASN A 35 -4.667 1.417 8.729 1.00 0.00 C ATOM 537 CG ASN A 35 -5.074 0.776 10.059 1.00 0.00 C ATOM 538 OD1 ASN A 35 -5.364 -0.416 10.114 1.00 0.00 O ATOM 539 ND2 ASN A 35 -5.103 1.550 11.142 1.00 0.00 N ATOM 0 H ASN A 35 -3.016 2.649 9.986 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.820 0.263 8.658 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.931 2.474 8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.235 0.958 7.920 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.371 1.156 12.044 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.858 2.537 11.070 1.00 0.00 H new ATOM 546 N TRP A 36 -2.382 2.657 6.516 1.00 0.00 N ATOM 547 CA TRP A 36 -1.974 2.952 5.142 1.00 0.00 C ATOM 548 C TRP A 36 -0.727 3.854 5.121 1.00 0.00 C ATOM 549 O TRP A 36 -0.620 4.788 5.915 1.00 0.00 O ATOM 550 CB TRP A 36 -3.118 3.620 4.356 1.00 0.00 C ATOM 551 CG TRP A 36 -4.379 2.828 4.152 1.00 0.00 C ATOM 552 CD1 TRP A 36 -5.274 2.521 5.116 1.00 0.00 C ATOM 553 CD2 TRP A 36 -4.944 2.300 2.912 1.00 0.00 C ATOM 554 NE1 TRP A 36 -6.354 1.862 4.574 1.00 0.00 N ATOM 555 CE2 TRP A 36 -6.214 1.717 3.212 1.00 0.00 C ATOM 556 CE3 TRP A 36 -4.531 2.273 1.557 1.00 0.00 C ATOM 557 CZ2 TRP A 36 -7.041 1.165 2.220 1.00 0.00 C ATOM 558 CZ3 TRP A 36 -5.334 1.685 0.557 1.00 0.00 C ATOM 559 CH2 TRP A 36 -6.598 1.151 0.884 1.00 0.00 C ATOM 0 H TRP A 36 -2.252 3.448 7.147 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.729 2.005 4.661 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.382 4.545 4.868 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.734 3.898 3.375 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.159 2.759 6.163 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.153 1.525 5.111 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.582 2.711 1.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.006 0.756 2.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.980 1.644 -0.462 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.225 0.732 0.111 1.00 0.00 H new ATOM 570 N TYR A 37 0.184 3.589 4.172 1.00 0.00 N ATOM 571 CA TYR A 37 1.423 4.333 3.921 1.00 0.00 C ATOM 572 C TYR A 37 1.309 5.040 2.568 1.00 0.00 C ATOM 573 O TYR A 37 0.814 4.423 1.627 1.00 0.00 O ATOM 574 CB TYR A 37 2.630 3.374 3.856 1.00 0.00 C ATOM 575 CG TYR A 37 2.748 2.357 4.975 1.00 0.00 C ATOM 576 CD1 TYR A 37 1.904 1.223 4.989 1.00 0.00 C ATOM 577 CD2 TYR A 37 3.746 2.502 5.962 1.00 0.00 C ATOM 578 CE1 TYR A 37 1.991 0.294 6.045 1.00 0.00 C ATOM 579 CE2 TYR A 37 3.848 1.560 7.008 1.00 0.00 C ATOM 580 CZ TYR A 37 2.961 0.462 7.055 1.00 0.00 C ATOM 581 OH TYR A 37 3.047 -0.449 8.066 1.00 0.00 O ATOM 0 H TYR A 37 0.068 2.808 3.526 1.00 0.00 H new ATOM 0 HA TYR A 37 1.570 5.048 4.730 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.587 2.836 2.909 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.541 3.973 3.842 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.193 1.069 4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.432 3.335 5.917 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.315 -0.547 6.081 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.603 1.679 7.771 1.00 0.00 H new ATOM 0 HH TYR A 37 3.387 -0.010 8.874 1.00 0.00 H new ATOM 591 N LYS A 38 1.822 6.273 2.416 1.00 0.00 N ATOM 592 CA LYS A 38 1.871 6.915 1.101 1.00 0.00 C ATOM 593 C LYS A 38 3.194 6.554 0.411 1.00 0.00 C ATOM 594 O LYS A 38 4.253 7.060 0.783 1.00 0.00 O ATOM 595 CB LYS A 38 1.656 8.438 1.176 1.00 0.00 C ATOM 596 CG LYS A 38 1.308 8.946 -0.235 1.00 0.00 C ATOM 597 CD LYS A 38 1.164 10.472 -0.308 1.00 0.00 C ATOM 598 CE LYS A 38 0.725 10.926 -1.711 1.00 0.00 C ATOM 599 NZ LYS A 38 1.675 10.496 -2.757 1.00 0.00 N ATOM 0 H LYS A 38 2.202 6.834 3.178 1.00 0.00 H new ATOM 0 HA LYS A 38 1.043 6.536 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.853 8.674 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.555 8.931 1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.084 8.627 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.377 8.483 -0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.434 10.806 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.114 10.942 -0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.263 10.520 -1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.635 12.012 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.426 10.948 -3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.640 10.774 -2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.629 9.462 -2.864 1.00 0.00 H new ATOM 613 N ALA A 39 3.113 5.661 -0.586 1.00 0.00 N ATOM 614 CA ALA A 39 4.235 5.125 -1.347 1.00 0.00 C ATOM 615 C ALA A 39 4.305 5.646 -2.789 1.00 0.00 C ATOM 616 O ALA A 39 3.379 6.277 -3.300 1.00 0.00 O ATOM 617 CB ALA A 39 4.153 3.591 -1.345 1.00 0.00 C ATOM 0 H ALA A 39 2.218 5.279 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 39 5.147 5.467 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.989 3.181 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.197 3.226 -0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.215 3.276 -1.802 1.00 0.00 H new ATOM 623 N GLU A 40 5.434 5.331 -3.434 1.00 0.00 N ATOM 624 CA GLU A 40 5.775 5.561 -4.824 1.00 0.00 C ATOM 625 C GLU A 40 6.071 4.200 -5.476 1.00 0.00 C ATOM 626 O GLU A 40 6.911 3.448 -4.979 1.00 0.00 O ATOM 627 CB GLU A 40 7.009 6.477 -4.843 1.00 0.00 C ATOM 628 CG GLU A 40 7.437 6.829 -6.270 1.00 0.00 C ATOM 629 CD GLU A 40 8.624 7.797 -6.281 1.00 0.00 C ATOM 630 OE1 GLU A 40 9.755 7.325 -6.025 1.00 0.00 O ATOM 631 OE2 GLU A 40 8.384 8.998 -6.525 1.00 0.00 O ATOM 0 H GLU A 40 6.196 4.866 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 40 4.967 6.037 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.790 7.393 -4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.834 5.985 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.705 5.918 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.597 7.276 -6.802 1.00 0.00 H new ATOM 638 N LEU A 41 5.396 3.880 -6.589 1.00 0.00 N ATOM 639 CA LEU A 41 5.692 2.714 -7.414 1.00 0.00 C ATOM 640 C LEU A 41 6.954 3.009 -8.241 1.00 0.00 C ATOM 641 O LEU A 41 8.020 2.456 -7.975 1.00 0.00 O ATOM 642 CB LEU A 41 4.450 2.360 -8.268 1.00 0.00 C ATOM 643 CG LEU A 41 4.271 0.842 -8.393 1.00 0.00 C ATOM 644 CD1 LEU A 41 2.880 0.491 -8.941 1.00 0.00 C ATOM 645 CD2 LEU A 41 5.355 0.185 -9.258 1.00 0.00 C ATOM 0 H LEU A 41 4.618 4.437 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 41 5.905 1.833 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.559 2.797 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.552 2.799 -9.261 1.00 0.00 H new ATOM 0 HG LEU A 41 4.370 0.441 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.782 -0.592 -9.019 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.115 0.877 -8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.754 0.938 -9.927 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.177 -0.889 -9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.325 0.607 -10.262 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.334 0.369 -8.816 1.00 0.00 H new ATOM 657 N ASN A 42 6.812 3.927 -9.206 1.00 0.00 N ATOM 658 CA ASN A 42 7.868 4.556 -10.002 1.00 0.00 C ATOM 659 C ASN A 42 7.275 5.620 -10.938 1.00 0.00 C ATOM 660 O ASN A 42 7.658 6.787 -10.885 1.00 0.00 O ATOM 661 CB ASN A 42 8.760 3.538 -10.747 1.00 0.00 C ATOM 662 CG ASN A 42 8.004 2.563 -11.654 1.00 0.00 C ATOM 663 OD1 ASN A 42 7.530 1.526 -11.203 1.00 0.00 O ATOM 664 ND2 ASN A 42 7.899 2.878 -12.944 1.00 0.00 N ATOM 0 H ASN A 42 5.889 4.273 -9.468 1.00 0.00 H new ATOM 0 HA ASN A 42 8.540 5.058 -9.307 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.485 4.085 -11.350 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.324 2.965 -10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.414 2.249 -13.585 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.303 3.748 -13.291 1.00 0.00 H new ATOM 671 N GLY A 43 6.320 5.205 -11.779 1.00 0.00 N ATOM 672 CA GLY A 43 5.557 6.064 -12.682 1.00 0.00 C ATOM 673 C GLY A 43 4.378 6.781 -12.004 1.00 0.00 C ATOM 674 O GLY A 43 3.853 7.741 -12.565 1.00 0.00 O ATOM 0 H GLY A 43 6.050 4.224 -11.849 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.226 6.810 -13.111 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.178 5.462 -13.508 1.00 0.00 H new ATOM 678 N LYS A 44 3.944 6.307 -10.824 1.00 0.00 N ATOM 679 CA LYS A 44 2.806 6.834 -10.068 1.00 0.00 C ATOM 680 C LYS A 44 2.995 6.635 -8.551 1.00 0.00 C ATOM 681 O LYS A 44 3.776 5.784 -8.121 1.00 0.00 O ATOM 682 CB LYS A 44 1.495 6.197 -10.574 1.00 0.00 C ATOM 683 CG LYS A 44 1.522 4.659 -10.537 1.00 0.00 C ATOM 684 CD LYS A 44 0.121 4.062 -10.737 1.00 0.00 C ATOM 685 CE LYS A 44 0.156 2.541 -10.524 1.00 0.00 C ATOM 686 NZ LYS A 44 -1.183 1.934 -10.628 1.00 0.00 N ATOM 0 H LYS A 44 4.394 5.519 -10.358 1.00 0.00 H new ATOM 0 HA LYS A 44 2.746 7.910 -10.235 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.665 6.555 -9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.307 6.527 -11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.190 4.288 -11.314 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.927 4.325 -9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.580 4.518 -10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.238 4.288 -11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.817 2.087 -11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.577 2.323 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.301 1.223 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.908 2.672 -10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.286 1.478 -11.557 1.00 0.00 H new ATOM 700 N ASP A 45 2.260 7.425 -7.751 1.00 0.00 N ATOM 701 CA ASP A 45 2.345 7.478 -6.291 1.00 0.00 C ATOM 702 C ASP A 45 0.951 7.600 -5.640 1.00 0.00 C ATOM 703 O ASP A 45 0.050 8.235 -6.188 1.00 0.00 O ATOM 704 CB ASP A 45 3.269 8.639 -5.875 1.00 0.00 C ATOM 705 CG ASP A 45 2.731 10.010 -6.296 1.00 0.00 C ATOM 706 OD1 ASP A 45 2.957 10.379 -7.469 1.00 0.00 O ATOM 707 OD2 ASP A 45 2.089 10.659 -5.441 1.00 0.00 O ATOM 0 H ASP A 45 1.563 8.069 -8.124 1.00 0.00 H new ATOM 0 HA ASP A 45 2.771 6.541 -5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.400 8.622 -4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.254 8.489 -6.318 1.00 0.00 H new ATOM 712 N GLY A 46 0.787 6.993 -4.455 1.00 0.00 N ATOM 713 CA GLY A 46 -0.429 7.035 -3.640 1.00 0.00 C ATOM 714 C GLY A 46 -0.386 6.028 -2.481 1.00 0.00 C ATOM 715 O GLY A 46 0.674 5.497 -2.154 1.00 0.00 O ATOM 0 H GLY A 46 1.528 6.439 -4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.562 8.040 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.294 6.825 -4.270 1.00 0.00 H new ATOM 719 N PHE A 47 -1.541 5.761 -1.856 1.00 0.00 N ATOM 720 CA PHE A 47 -1.645 5.001 -0.611 1.00 0.00 C ATOM 721 C PHE A 47 -1.805 3.484 -0.832 1.00 0.00 C ATOM 722 O PHE A 47 -2.674 3.040 -1.581 1.00 0.00 O ATOM 723 CB PHE A 47 -2.778 5.572 0.260 1.00 0.00 C ATOM 724 CG PHE A 47 -2.421 6.849 1.009 1.00 0.00 C ATOM 725 CD1 PHE A 47 -1.834 6.768 2.293 1.00 0.00 C ATOM 726 CD2 PHE A 47 -2.689 8.117 0.445 1.00 0.00 C ATOM 727 CE1 PHE A 47 -1.575 7.941 3.033 1.00 0.00 C ATOM 728 CE2 PHE A 47 -2.421 9.291 1.180 1.00 0.00 C ATOM 729 CZ PHE A 47 -1.875 9.203 2.478 1.00 0.00 C ATOM 0 H PHE A 47 -2.444 6.075 -2.212 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.698 5.116 -0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.642 5.768 -0.374 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.079 4.814 0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.583 5.804 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.100 8.187 -0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.148 7.873 4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.634 10.258 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.687 10.102 3.047 1.00 0.00 H new ATOM 739 N ILE A 48 -0.979 2.697 -0.125 1.00 0.00 N ATOM 740 CA ILE A 48 -0.989 1.232 -0.057 1.00 0.00 C ATOM 741 C ILE A 48 -1.581 0.786 1.294 1.00 0.00 C ATOM 742 O ILE A 48 -1.388 1.486 2.290 1.00 0.00 O ATOM 743 CB ILE A 48 0.447 0.681 -0.244 1.00 0.00 C ATOM 744 CG1 ILE A 48 1.350 0.896 0.990 1.00 0.00 C ATOM 745 CG2 ILE A 48 1.094 1.308 -1.487 1.00 0.00 C ATOM 746 CD1 ILE A 48 2.771 0.347 0.817 1.00 0.00 C ATOM 0 H ILE A 48 -0.238 3.096 0.452 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.610 0.832 -0.859 1.00 0.00 H new ATOM 0 HB ILE A 48 0.352 -0.397 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.406 1.963 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.888 0.419 1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.103 0.914 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.500 1.065 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.139 2.390 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.346 0.534 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.726 -0.726 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.252 0.842 -0.027 1.00 0.00 H new ATOM 758 N PRO A 49 -2.274 -0.366 1.371 1.00 0.00 N ATOM 759 CA PRO A 49 -2.852 -0.867 2.615 1.00 0.00 C ATOM 760 C PRO A 49 -1.824 -1.681 3.423 1.00 0.00 C ATOM 761 O PRO A 49 -0.897 -2.271 2.863 1.00 0.00 O ATOM 762 CB PRO A 49 -4.008 -1.757 2.157 1.00 0.00 C ATOM 763 CG PRO A 49 -3.424 -2.396 0.903 1.00 0.00 C ATOM 764 CD PRO A 49 -2.562 -1.295 0.282 1.00 0.00 C ATOM 0 HA PRO A 49 -3.175 -0.061 3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.276 -2.500 2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.908 -1.181 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.830 -3.277 1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.209 -2.720 0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.643 -1.705 -0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.089 -0.796 -0.531 1.00 0.00 H new ATOM 772 N LYS A 50 -2.028 -1.758 4.744 1.00 0.00 N ATOM 773 CA LYS A 50 -1.237 -2.566 5.674 1.00 0.00 C ATOM 774 C LYS A 50 -1.722 -4.032 5.642 1.00 0.00 C ATOM 775 O LYS A 50 -2.155 -4.570 6.661 1.00 0.00 O ATOM 776 CB LYS A 50 -1.341 -1.916 7.070 1.00 0.00 C ATOM 777 CG LYS A 50 -0.333 -2.442 8.104 1.00 0.00 C ATOM 778 CD LYS A 50 -0.709 -1.910 9.498 1.00 0.00 C ATOM 779 CE LYS A 50 0.415 -2.091 10.526 1.00 0.00 C ATOM 780 NZ LYS A 50 1.477 -1.086 10.344 1.00 0.00 N ATOM 0 H LYS A 50 -2.775 -1.241 5.208 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.185 -2.593 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.204 -0.840 6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.349 -2.073 7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.332 -3.532 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.675 -2.123 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.959 -0.852 9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.603 -2.425 9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.005 -2.011 11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.838 -3.091 10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.230 -1.246 11.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.872 -1.168 9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.080 -0.134 10.475 1.00 0.00 H new ATOM 794 N ASN A 51 -1.664 -4.673 4.461 1.00 0.00 N ATOM 795 CA ASN A 51 -2.125 -6.047 4.232 1.00 0.00 C ATOM 796 C ASN A 51 -1.589 -6.599 2.897 1.00 0.00 C ATOM 797 O ASN A 51 -0.889 -7.611 2.881 1.00 0.00 O ATOM 798 CB ASN A 51 -3.665 -6.117 4.305 1.00 0.00 C ATOM 799 CG ASN A 51 -4.182 -7.549 4.172 1.00 0.00 C ATOM 800 OD1 ASN A 51 -4.227 -8.293 5.146 1.00 0.00 O ATOM 801 ND2 ASN A 51 -4.566 -7.948 2.960 1.00 0.00 N ATOM 0 H ASN A 51 -1.285 -4.236 3.621 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.725 -6.682 5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.002 -5.697 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.093 -5.502 3.513 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.910 -8.898 2.821 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.516 -7.303 2.171 1.00 0.00 H new ATOM 808 N TYR A 52 -1.931 -5.941 1.778 1.00 0.00 N ATOM 809 CA TYR A 52 -1.530 -6.313 0.418 1.00 0.00 C ATOM 810 C TYR A 52 -0.020 -6.135 0.149 1.00 0.00 C ATOM 811 O TYR A 52 0.457 -6.589 -0.890 1.00 0.00 O ATOM 812 CB TYR A 52 -2.370 -5.517 -0.601 1.00 0.00 C ATOM 813 CG TYR A 52 -3.835 -5.927 -0.722 1.00 0.00 C ATOM 814 CD1 TYR A 52 -4.747 -5.673 0.329 1.00 0.00 C ATOM 815 CD2 TYR A 52 -4.301 -6.548 -1.904 1.00 0.00 C ATOM 816 CE1 TYR A 52 -6.085 -6.107 0.231 1.00 0.00 C ATOM 817 CE2 TYR A 52 -5.654 -6.930 -2.026 1.00 0.00 C ATOM 818 CZ TYR A 52 -6.544 -6.718 -0.954 1.00 0.00 C ATOM 819 OH TYR A 52 -7.848 -7.103 -1.068 1.00 0.00 O ATOM 0 H TYR A 52 -2.516 -5.105 1.800 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.722 -7.380 0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.329 -4.462 -0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.904 -5.613 -1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.417 -5.144 1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.617 -6.731 -2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.759 -5.971 1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.007 -7.384 -2.940 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.136 -7.533 -0.236 1.00 0.00 H new ATOM 829 N ILE A 53 0.726 -5.498 1.066 1.00 0.00 N ATOM 830 CA ILE A 53 2.183 -5.350 1.043 1.00 0.00 C ATOM 831 C ILE A 53 2.860 -6.399 1.950 1.00 0.00 C ATOM 832 O ILE A 53 2.246 -6.909 2.888 1.00 0.00 O ATOM 833 CB ILE A 53 2.549 -3.902 1.454 1.00 0.00 C ATOM 834 CG1 ILE A 53 2.332 -3.663 2.966 1.00 0.00 C ATOM 835 CG2 ILE A 53 3.993 -3.570 1.041 1.00 0.00 C ATOM 836 CD1 ILE A 53 2.507 -2.201 3.387 1.00 0.00 C ATOM 0 H ILE A 53 0.305 -5.052 1.881 1.00 0.00 H new ATOM 0 HA ILE A 53 2.554 -5.529 0.034 1.00 0.00 H new ATOM 0 HB ILE A 53 1.877 -3.228 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.329 -3.993 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.033 -4.280 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.231 -2.549 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.680 -4.260 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.093 -3.666 -0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.340 -2.109 4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.518 -1.872 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.788 -1.580 2.853 1.00 0.00 H new ATOM 848 N GLU A 54 4.142 -6.690 1.684 1.00 0.00 N ATOM 849 CA GLU A 54 5.037 -7.486 2.522 1.00 0.00 C ATOM 850 C GLU A 54 6.368 -6.741 2.699 1.00 0.00 C ATOM 851 O GLU A 54 7.107 -6.546 1.733 1.00 0.00 O ATOM 852 CB GLU A 54 5.265 -8.880 1.907 1.00 0.00 C ATOM 853 CG GLU A 54 6.158 -9.771 2.790 1.00 0.00 C ATOM 854 CD GLU A 54 5.624 -9.907 4.218 1.00 0.00 C ATOM 855 OE1 GLU A 54 4.676 -10.703 4.402 1.00 0.00 O ATOM 856 OE2 GLU A 54 6.155 -9.191 5.097 1.00 0.00 O ATOM 0 H GLU A 54 4.601 -6.358 0.836 1.00 0.00 H new ATOM 0 HA GLU A 54 4.578 -7.628 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.303 -9.370 1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.724 -8.770 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.237 -10.760 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.165 -9.354 2.820 1.00 0.00 H new ATOM 863 N MET A 55 6.676 -6.341 3.940 1.00 0.00 N ATOM 864 CA MET A 55 7.916 -5.666 4.317 1.00 0.00 C ATOM 865 C MET A 55 9.073 -6.659 4.524 1.00 0.00 C ATOM 866 O MET A 55 10.205 -6.373 4.135 1.00 0.00 O ATOM 867 CB MET A 55 7.659 -4.798 5.562 1.00 0.00 C ATOM 868 CG MET A 55 8.831 -3.850 5.858 1.00 0.00 C ATOM 869 SD MET A 55 8.539 -2.698 7.229 1.00 0.00 S ATOM 870 CE MET A 55 10.020 -1.669 7.082 1.00 0.00 C ATOM 0 H MET A 55 6.047 -6.485 4.730 1.00 0.00 H new ATOM 0 HA MET A 55 8.231 -5.018 3.499 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.750 -4.215 5.415 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.488 -5.443 6.424 1.00 0.00 H new ATOM 0 HG2 MET A 55 9.716 -4.446 6.083 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.053 -3.276 4.959 1.00 0.00 H new ATOM 0 HE1 MET A 55 10.007 -0.900 7.854 1.00 0.00 H new ATOM 0 HE2 MET A 55 10.908 -2.290 7.203 1.00 0.00 H new ATOM 0 HE3 MET A 55 10.039 -1.197 6.100 1.00 0.00 H new ATOM 937 N PRO B 3 -8.373 -11.330 1.329 1.00 0.00 N ATOM 938 CA PRO B 3 -7.402 -10.378 1.869 1.00 0.00 C ATOM 939 C PRO B 3 -8.088 -9.042 2.227 1.00 0.00 C ATOM 940 O PRO B 3 -8.593 -8.365 1.329 1.00 0.00 O ATOM 941 CB PRO B 3 -6.335 -10.217 0.774 1.00 0.00 C ATOM 942 CG PRO B 3 -7.084 -10.559 -0.516 1.00 0.00 C ATOM 943 CD PRO B 3 -8.077 -11.628 -0.065 1.00 0.00 C ATOM 0 HA PRO B 3 -6.950 -10.727 2.797 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.937 -9.203 0.749 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.491 -10.887 0.936 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -7.590 -9.688 -0.932 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.410 -10.934 -1.286 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.982 -11.602 -0.671 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -7.652 -12.626 -0.170 1.00 0.00 H new ATOM 951 N PRO B 4 -8.140 -8.650 3.517 1.00 0.00 N ATOM 952 CA PRO B 4 -8.908 -7.495 3.976 1.00 0.00 C ATOM 953 C PRO B 4 -8.207 -6.169 3.639 1.00 0.00 C ATOM 954 O PRO B 4 -6.984 -6.063 3.731 1.00 0.00 O ATOM 955 CB PRO B 4 -9.051 -7.685 5.492 1.00 0.00 C ATOM 956 CG PRO B 4 -7.764 -8.420 5.863 1.00 0.00 C ATOM 957 CD PRO B 4 -7.548 -9.339 4.659 1.00 0.00 C ATOM 0 HA PRO B 4 -9.877 -7.438 3.480 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -9.137 -6.731 6.013 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -9.937 -8.267 5.745 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -6.930 -7.732 6.003 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -7.871 -8.984 6.790 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -6.487 -9.525 4.495 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -8.021 -10.308 4.818 1.00 0.00 H new ATOM 965 N VAL B 5 -9.001 -5.151 3.275 1.00 0.00 N ATOM 966 CA VAL B 5 -8.559 -3.777 3.039 1.00 0.00 C ATOM 967 C VAL B 5 -8.827 -2.965 4.327 1.00 0.00 C ATOM 968 O VAL B 5 -9.993 -2.776 4.677 1.00 0.00 O ATOM 969 CB VAL B 5 -9.314 -3.205 1.816 1.00 0.00 C ATOM 970 CG1 VAL B 5 -8.949 -1.732 1.577 1.00 0.00 C ATOM 971 CG2 VAL B 5 -8.992 -3.996 0.534 1.00 0.00 C ATOM 0 H VAL B 5 -10.004 -5.271 3.133 1.00 0.00 H new ATOM 0 HA VAL B 5 -7.494 -3.728 2.814 1.00 0.00 H new ATOM 0 HB VAL B 5 -10.377 -3.291 2.040 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -9.495 -1.358 0.711 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -9.215 -1.144 2.456 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.878 -1.648 1.395 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -9.539 -3.567 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.922 -3.944 0.334 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -9.287 -5.037 0.665 1.00 0.00 H new ATOM 981 N PRO B 6 -7.791 -2.464 5.037 1.00 0.00 N ATOM 982 CA PRO B 6 -7.938 -1.681 6.269 1.00 0.00 C ATOM 983 C PRO B 6 -8.662 -0.334 6.065 1.00 0.00 C ATOM 984 O PRO B 6 -8.679 0.188 4.950 1.00 0.00 O ATOM 985 CB PRO B 6 -6.504 -1.437 6.772 1.00 0.00 C ATOM 986 CG PRO B 6 -5.694 -2.566 6.145 1.00 0.00 C ATOM 987 CD PRO B 6 -6.380 -2.721 4.792 1.00 0.00 C ATOM 0 HA PRO B 6 -8.557 -2.229 6.979 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -6.133 -0.460 6.462 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -6.453 -1.466 7.860 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -4.640 -2.306 6.043 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -5.741 -3.481 6.735 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -5.974 -2.018 4.064 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -6.228 -3.722 4.388 1.00 0.00 H new ATOM 995 N PRO B 7 -9.210 0.276 7.135 1.00 0.00 N ATOM 996 CA PRO B 7 -9.728 1.643 7.107 1.00 0.00 C ATOM 997 C PRO B 7 -8.567 2.653 7.037 1.00 0.00 C ATOM 998 O PRO B 7 -7.481 2.389 7.553 1.00 0.00 O ATOM 999 CB PRO B 7 -10.524 1.792 8.409 1.00 0.00 C ATOM 1000 CG PRO B 7 -9.768 0.878 9.375 1.00 0.00 C ATOM 1001 CD PRO B 7 -9.320 -0.279 8.478 1.00 0.00 C ATOM 0 HA PRO B 7 -10.352 1.836 6.235 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -10.539 2.825 8.758 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -11.562 1.481 8.287 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -8.919 1.387 9.831 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -10.407 0.534 10.188 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -8.365 -0.685 8.812 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -10.041 -1.096 8.505 1.00 0.00 H new ATOM 1009 N ARG B 8 -8.789 3.810 6.394 1.00 0.00 N ATOM 1010 CA ARG B 8 -7.772 4.851 6.219 1.00 0.00 C ATOM 1011 C ARG B 8 -7.439 5.523 7.558 1.00 0.00 C ATOM 1012 O ARG B 8 -6.375 5.280 8.128 1.00 0.00 O ATOM 1013 CB ARG B 8 -8.171 5.824 5.093 1.00 0.00 C ATOM 1014 CG ARG B 8 -8.210 5.083 3.741 1.00 0.00 C ATOM 1015 CD ARG B 8 -8.315 6.002 2.510 1.00 0.00 C ATOM 1016 NE ARG B 8 -7.294 7.066 2.463 1.00 0.00 N ATOM 1017 CZ ARG B 8 -5.956 6.942 2.526 1.00 0.00 C ATOM 1018 NH1 ARG B 8 -5.348 5.751 2.515 1.00 0.00 N ATOM 1019 NH2 ARG B 8 -5.203 8.043 2.594 1.00 0.00 N ATOM 0 H ARG B 8 -9.689 4.049 5.978 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.839 4.395 5.888 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -9.148 6.259 5.307 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.459 6.648 5.045 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.310 4.475 3.649 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -9.058 4.399 3.741 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.233 5.395 1.609 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.303 6.461 2.496 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.648 8.018 2.371 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -5.902 4.896 2.457 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -4.331 5.697 2.564 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -5.644 8.963 2.598 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -4.187 7.964 2.642 1.00 0.00 H new ATOM 1033 N ARG B 9 -8.368 6.340 8.062 1.00 0.00 N ATOM 1034 CA ARG B 9 -8.349 6.910 9.410 1.00 0.00 C ATOM 1035 C ARG B 9 -9.789 6.895 9.943 1.00 0.00 C ATOM 1036 O ARG B 9 -10.411 7.944 10.102 1.00 0.00 O ATOM 1037 CB ARG B 9 -7.714 8.315 9.412 1.00 0.00 C ATOM 1038 CG ARG B 9 -6.224 8.285 9.026 1.00 0.00 C ATOM 1039 CD ARG B 9 -5.525 9.625 9.291 1.00 0.00 C ATOM 1040 NE ARG B 9 -5.427 9.904 10.735 1.00 0.00 N ATOM 1041 CZ ARG B 9 -4.725 10.897 11.306 1.00 0.00 C ATOM 1042 NH1 ARG B 9 -4.040 11.779 10.570 1.00 0.00 N ATOM 1043 NH2 ARG B 9 -4.702 11.004 12.637 1.00 0.00 N ATOM 0 H ARG B 9 -9.183 6.633 7.522 1.00 0.00 H new ATOM 0 HA ARG B 9 -7.723 6.315 10.075 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -8.254 8.956 8.716 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -7.821 8.758 10.402 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.721 7.498 9.589 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.130 8.032 7.970 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -4.527 9.609 8.853 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -6.076 10.428 8.800 1.00 0.00 H new ATOM 0 HE ARG B 9 -5.941 9.284 11.361 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -4.043 11.706 9.553 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -3.514 12.525 11.026 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -5.215 10.335 13.211 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -4.172 11.755 13.079 1.00 0.00 H new ATOM 1057 N ARG B 10 -10.308 5.679 10.179 1.00 0.00 N ATOM 1058 CA ARG B 10 -11.704 5.375 10.488 1.00 0.00 C ATOM 1059 C ARG B 10 -12.560 5.568 9.222 1.00 0.00 C ATOM 1060 O ARG B 10 -13.084 6.688 9.030 1.00 0.00 O ATOM 1061 CB ARG B 10 -12.198 6.151 11.731 1.00 0.00 C ATOM 1062 CG ARG B 10 -13.426 5.526 12.419 1.00 0.00 C ATOM 1063 CD ARG B 10 -14.681 5.512 11.535 1.00 0.00 C ATOM 1064 NE ARG B 10 -15.874 5.105 12.295 1.00 0.00 N ATOM 1065 CZ ARG B 10 -17.110 4.960 11.788 1.00 0.00 C ATOM 1066 NH1 ARG B 10 -17.359 5.186 10.493 1.00 0.00 N ATOM 1067 NH2 ARG B 10 -18.112 4.583 12.587 1.00 0.00 N ATOM 1068 OXT ARG B 10 -12.676 4.583 8.460 1.00 0.00 O ATOM 0 H ARG B 10 -9.729 4.840 10.157 1.00 0.00 H new ATOM 0 HA ARG B 10 -11.804 4.328 10.776 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -11.384 6.214 12.453 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -12.442 7.171 11.435 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -13.187 4.504 12.713 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -13.641 6.079 13.333 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -14.840 6.504 11.111 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -14.531 4.829 10.699 1.00 0.00 H new ATOM 0 HE ARG B 10 -15.752 4.917 13.290 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -16.604 5.474 9.871 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -18.304 5.070 10.128 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -17.937 4.407 13.576 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -19.052 4.471 12.208 1.00 0.00 H new