USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=14 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 35 ASN : amide:sc= -0.227 K(o=2.2,f=-0.89) USER MOD Set 1.2: A 50 LYS NZ :NH3+ -174:sc= 1.26 (180deg=-0.0395) USER MOD Set 1.3: A 51 ASN : amide:sc= 1.19 K(o=2.2,f=-6.7!) USER MOD Set 2.1: A 37 TYR OH : rot 80:sc= 0 USER MOD Set 2.2: A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -165:sc=-0.00602 (180deg=-0.237) USER MOD Single : A 1 MET N :NH3+ -142:sc= 0.439 (180deg=-1.6!) USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0142) USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00147) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -108:sc= 0.245 USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0.782 (180deg=0.743) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= 1.38 (180deg=1.04) USER MOD Single : A 29 ASN : amide:sc= 0.683 K(o=0.68,f=-3.6!) USER MOD Single : A 32 SER OG : rot 62:sc= 0.573 USER MOD Single : A 34 GLN : amide:sc= 0.675 K(o=0.67,f=-0.48) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0.74 (180deg=0.7) USER MOD Single : A 42 ASN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.18) USER MOD Single : A 52 TYR OH : rot -59:sc= 0.12 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.385 3.329 3.177 1.00 0.00 N ATOM 2 CA MET A 1 10.904 1.975 3.043 1.00 0.00 C ATOM 3 C MET A 1 10.254 1.227 1.862 1.00 0.00 C ATOM 4 O MET A 1 9.066 1.385 1.579 1.00 0.00 O ATOM 5 CB MET A 1 10.774 1.188 4.364 1.00 0.00 C ATOM 6 CG MET A 1 9.350 1.089 4.949 1.00 0.00 C ATOM 7 SD MET A 1 8.726 2.520 5.886 1.00 0.00 S ATOM 8 CE MET A 1 9.835 2.485 7.319 1.00 0.00 C ATOM 0 H1 MET A 1 11.156 3.971 3.451 1.00 0.00 H new ATOM 0 H2 MET A 1 9.983 3.638 2.269 1.00 0.00 H new ATOM 0 H3 MET A 1 9.645 3.346 3.907 1.00 0.00 H new ATOM 0 HA MET A 1 11.968 2.056 2.818 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.151 0.178 4.202 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.420 1.654 5.108 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.661 0.899 4.126 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.314 0.217 5.603 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.429 3.116 8.109 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.927 1.462 7.683 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.818 2.856 7.028 1.00 0.00 H new ATOM 19 N GLU A 2 11.052 0.393 1.183 1.00 0.00 N ATOM 20 CA GLU A 2 10.681 -0.364 -0.010 1.00 0.00 C ATOM 21 C GLU A 2 9.935 -1.651 0.383 1.00 0.00 C ATOM 22 O GLU A 2 10.556 -2.630 0.796 1.00 0.00 O ATOM 23 CB GLU A 2 11.949 -0.665 -0.836 1.00 0.00 C ATOM 24 CG GLU A 2 12.462 0.556 -1.625 1.00 0.00 C ATOM 25 CD GLU A 2 12.832 1.753 -0.744 1.00 0.00 C ATOM 26 OE1 GLU A 2 13.683 1.561 0.151 1.00 0.00 O ATOM 27 OE2 GLU A 2 12.249 2.836 -0.974 1.00 0.00 O ATOM 0 H GLU A 2 12.017 0.223 1.467 1.00 0.00 H new ATOM 0 HA GLU A 2 10.002 0.226 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.736 -1.015 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.738 -1.477 -1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.336 0.260 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.696 0.864 -2.337 1.00 0.00 H new ATOM 34 N ALA A 3 8.601 -1.645 0.240 1.00 0.00 N ATOM 35 CA ALA A 3 7.708 -2.765 0.539 1.00 0.00 C ATOM 36 C ALA A 3 7.381 -3.555 -0.736 1.00 0.00 C ATOM 37 O ALA A 3 6.920 -2.980 -1.721 1.00 0.00 O ATOM 38 CB ALA A 3 6.417 -2.241 1.180 1.00 0.00 C ATOM 0 H ALA A 3 8.099 -0.825 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 3 8.211 -3.435 1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.755 -3.078 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.657 -1.714 2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.920 -1.557 0.491 1.00 0.00 H new ATOM 44 N ILE A 4 7.584 -4.879 -0.701 1.00 0.00 N ATOM 45 CA ILE A 4 7.243 -5.801 -1.785 1.00 0.00 C ATOM 46 C ILE A 4 5.736 -6.102 -1.725 1.00 0.00 C ATOM 47 O ILE A 4 5.259 -6.653 -0.731 1.00 0.00 O ATOM 48 CB ILE A 4 8.091 -7.093 -1.671 1.00 0.00 C ATOM 49 CG1 ILE A 4 9.602 -6.766 -1.694 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.736 -8.074 -2.805 1.00 0.00 C ATOM 51 CD1 ILE A 4 10.500 -7.998 -1.518 1.00 0.00 C ATOM 0 H ILE A 4 8.001 -5.347 0.104 1.00 0.00 H new ATOM 0 HA ILE A 4 7.469 -5.349 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 4 7.860 -7.566 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.846 -6.281 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.822 -6.050 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.341 -8.975 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.680 -8.337 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.935 -7.604 -3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.546 -7.693 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.284 -8.472 -0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.308 -8.706 -2.324 1.00 0.00 H new ATOM 63 N ALA A 5 4.988 -5.765 -2.788 1.00 0.00 N ATOM 64 CA ALA A 5 3.564 -6.078 -2.912 1.00 0.00 C ATOM 65 C ALA A 5 3.348 -7.565 -3.229 1.00 0.00 C ATOM 66 O ALA A 5 3.022 -7.934 -4.357 1.00 0.00 O ATOM 67 CB ALA A 5 2.917 -5.173 -3.962 1.00 0.00 C ATOM 0 H ALA A 5 5.364 -5.262 -3.592 1.00 0.00 H new ATOM 0 HA ALA A 5 3.079 -5.885 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.857 -5.414 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.029 -4.131 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.403 -5.329 -4.925 1.00 0.00 H new ATOM 73 N LYS A 6 3.510 -8.421 -2.213 1.00 0.00 N ATOM 74 CA LYS A 6 3.387 -9.874 -2.316 1.00 0.00 C ATOM 75 C LYS A 6 1.930 -10.312 -2.052 1.00 0.00 C ATOM 76 O LYS A 6 1.687 -11.249 -1.293 1.00 0.00 O ATOM 77 CB LYS A 6 4.416 -10.490 -1.345 1.00 0.00 C ATOM 78 CG LYS A 6 4.670 -11.990 -1.558 1.00 0.00 C ATOM 79 CD LYS A 6 5.862 -12.443 -0.698 1.00 0.00 C ATOM 80 CE LYS A 6 6.159 -13.943 -0.828 1.00 0.00 C ATOM 81 NZ LYS A 6 5.083 -14.773 -0.254 1.00 0.00 N ATOM 0 H LYS A 6 3.737 -8.109 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 6 3.609 -10.233 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.360 -9.956 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.072 -10.334 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.780 -12.560 -1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.873 -12.188 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.747 -11.877 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.660 -12.207 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.290 -14.196 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.099 -14.171 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.355 -15.776 -0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.928 -14.503 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.206 -14.626 -0.793 1.00 0.00 H new ATOM 95 N VAL A 7 0.957 -9.620 -2.675 1.00 0.00 N ATOM 96 CA VAL A 7 -0.483 -9.816 -2.474 1.00 0.00 C ATOM 97 C VAL A 7 -1.264 -9.524 -3.769 1.00 0.00 C ATOM 98 O VAL A 7 -1.954 -10.417 -4.260 1.00 0.00 O ATOM 99 CB VAL A 7 -1.007 -8.962 -1.291 1.00 0.00 C ATOM 100 CG1 VAL A 7 -2.518 -9.185 -1.096 1.00 0.00 C ATOM 101 CG2 VAL A 7 -0.290 -9.289 0.032 1.00 0.00 C ATOM 0 H VAL A 7 1.163 -8.886 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.646 -10.863 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.803 -7.922 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.871 -8.579 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.048 -8.897 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.706 -10.238 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.694 -8.664 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.446 -10.339 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.777 -9.096 -0.075 1.00 0.00 H new ATOM 111 N ASP A 8 -1.172 -8.277 -4.271 1.00 0.00 N ATOM 112 CA ASP A 8 -1.930 -7.668 -5.376 1.00 0.00 C ATOM 113 C ASP A 8 -3.124 -6.871 -4.821 1.00 0.00 C ATOM 114 O ASP A 8 -4.003 -7.457 -4.189 1.00 0.00 O ATOM 115 CB ASP A 8 -2.365 -8.693 -6.447 1.00 0.00 C ATOM 116 CG ASP A 8 -2.894 -8.049 -7.729 1.00 0.00 C ATOM 117 OD1 ASP A 8 -3.936 -7.362 -7.641 1.00 0.00 O ATOM 118 OD2 ASP A 8 -2.257 -8.267 -8.782 1.00 0.00 O ATOM 0 H ASP A 8 -0.505 -7.613 -3.877 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.261 -6.978 -5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.516 -9.331 -6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.138 -9.338 -6.028 1.00 0.00 H new ATOM 123 N PHE A 9 -3.158 -5.546 -5.061 1.00 0.00 N ATOM 124 CA PHE A 9 -4.214 -4.641 -4.600 1.00 0.00 C ATOM 125 C PHE A 9 -4.954 -4.023 -5.798 1.00 0.00 C ATOM 126 O PHE A 9 -4.433 -3.138 -6.479 1.00 0.00 O ATOM 127 CB PHE A 9 -3.615 -3.565 -3.675 1.00 0.00 C ATOM 128 CG PHE A 9 -4.625 -2.634 -3.011 1.00 0.00 C ATOM 129 CD1 PHE A 9 -5.803 -3.141 -2.411 1.00 0.00 C ATOM 130 CD2 PHE A 9 -4.385 -1.242 -2.988 1.00 0.00 C ATOM 131 CE1 PHE A 9 -6.774 -2.258 -1.891 1.00 0.00 C ATOM 132 CE2 PHE A 9 -5.338 -0.361 -2.438 1.00 0.00 C ATOM 133 CZ PHE A 9 -6.557 -0.865 -1.942 1.00 0.00 C ATOM 0 H PHE A 9 -2.431 -5.069 -5.595 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.948 -5.205 -4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.037 -4.062 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.916 -2.961 -4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.959 -4.208 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.465 -0.850 -3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.682 -2.648 -1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.134 0.699 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.324 -0.186 -1.601 1.00 0.00 H new ATOM 143 N LYS A 10 -6.191 -4.478 -6.046 1.00 0.00 N ATOM 144 CA LYS A 10 -7.001 -4.077 -7.193 1.00 0.00 C ATOM 145 C LYS A 10 -7.846 -2.837 -6.846 1.00 0.00 C ATOM 146 O LYS A 10 -9.074 -2.902 -6.795 1.00 0.00 O ATOM 147 CB LYS A 10 -7.836 -5.289 -7.656 1.00 0.00 C ATOM 148 CG LYS A 10 -8.526 -5.062 -9.012 1.00 0.00 C ATOM 149 CD LYS A 10 -9.332 -6.307 -9.417 1.00 0.00 C ATOM 150 CE LYS A 10 -10.116 -6.107 -10.723 1.00 0.00 C ATOM 151 NZ LYS A 10 -9.227 -5.923 -11.886 1.00 0.00 N ATOM 0 H LYS A 10 -6.661 -5.149 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.371 -3.777 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.189 -6.163 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.592 -5.511 -6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.187 -4.197 -8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.780 -4.840 -9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.654 -7.153 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.027 -6.561 -8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.760 -6.970 -10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.767 -5.238 -10.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.800 -5.809 -12.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.642 -5.075 -11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.612 -6.755 -11.988 1.00 0.00 H new ATOM 165 N ALA A 11 -7.174 -1.693 -6.635 1.00 0.00 N ATOM 166 CA ALA A 11 -7.817 -0.383 -6.509 1.00 0.00 C ATOM 167 C ALA A 11 -8.189 0.175 -7.896 1.00 0.00 C ATOM 168 O ALA A 11 -7.655 -0.262 -8.918 1.00 0.00 O ATOM 169 CB ALA A 11 -6.903 0.590 -5.751 1.00 0.00 C ATOM 0 H ALA A 11 -6.158 -1.656 -6.547 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.737 -0.501 -5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.395 1.559 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.700 0.197 -4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.965 0.706 -6.294 1.00 0.00 H new ATOM 175 N THR A 12 -9.117 1.144 -7.928 1.00 0.00 N ATOM 176 CA THR A 12 -9.642 1.747 -9.157 1.00 0.00 C ATOM 177 C THR A 12 -9.992 3.231 -8.944 1.00 0.00 C ATOM 178 O THR A 12 -11.095 3.670 -9.266 1.00 0.00 O ATOM 179 CB THR A 12 -10.822 0.908 -9.706 1.00 0.00 C ATOM 180 OG1 THR A 12 -10.367 -0.368 -10.117 1.00 0.00 O ATOM 181 CG2 THR A 12 -11.961 0.703 -8.693 1.00 0.00 C ATOM 0 H THR A 12 -9.530 1.536 -7.082 1.00 0.00 H new ATOM 0 HA THR A 12 -8.866 1.734 -9.922 1.00 0.00 H new ATOM 0 HB THR A 12 -11.220 1.480 -10.545 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.122 -0.890 -10.460 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.751 0.107 -9.149 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.577 0.185 -7.814 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.363 1.672 -8.397 1.00 0.00 H new ATOM 189 N ALA A 13 -9.031 4.012 -8.425 1.00 0.00 N ATOM 190 CA ALA A 13 -9.165 5.447 -8.173 1.00 0.00 C ATOM 191 C ALA A 13 -7.787 6.112 -8.035 1.00 0.00 C ATOM 192 O ALA A 13 -6.830 5.480 -7.584 1.00 0.00 O ATOM 193 CB ALA A 13 -10.000 5.678 -6.904 1.00 0.00 C ATOM 0 H ALA A 13 -8.115 3.647 -8.163 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.674 5.902 -9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.096 6.748 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.990 5.242 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.507 5.208 -6.053 1.00 0.00 H new ATOM 199 N ASP A 14 -7.696 7.404 -8.388 1.00 0.00 N ATOM 200 CA ASP A 14 -6.497 8.229 -8.229 1.00 0.00 C ATOM 201 C ASP A 14 -6.368 8.714 -6.770 1.00 0.00 C ATOM 202 O ASP A 14 -6.351 9.914 -6.494 1.00 0.00 O ATOM 203 CB ASP A 14 -6.531 9.381 -9.254 1.00 0.00 C ATOM 204 CG ASP A 14 -6.468 8.872 -10.695 1.00 0.00 C ATOM 205 OD1 ASP A 14 -5.332 8.711 -11.192 1.00 0.00 O ATOM 206 OD2 ASP A 14 -7.554 8.640 -11.270 1.00 0.00 O ATOM 0 H ASP A 14 -8.477 7.913 -8.802 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.602 7.641 -8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.442 9.962 -9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.693 10.053 -9.071 1.00 0.00 H new ATOM 211 N ASP A 15 -6.262 7.751 -5.843 1.00 0.00 N ATOM 212 CA ASP A 15 -6.067 7.944 -4.410 1.00 0.00 C ATOM 213 C ASP A 15 -5.505 6.640 -3.823 1.00 0.00 C ATOM 214 O ASP A 15 -4.352 6.607 -3.398 1.00 0.00 O ATOM 215 CB ASP A 15 -7.381 8.390 -3.739 1.00 0.00 C ATOM 216 CG ASP A 15 -7.197 8.631 -2.239 1.00 0.00 C ATOM 217 OD1 ASP A 15 -7.351 7.650 -1.480 1.00 0.00 O ATOM 218 OD2 ASP A 15 -6.882 9.783 -1.872 1.00 0.00 O ATOM 0 H ASP A 15 -6.314 6.764 -6.093 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.350 8.743 -4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.740 9.304 -4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.146 7.629 -3.894 1.00 0.00 H new ATOM 223 N GLU A 16 -6.301 5.559 -3.840 1.00 0.00 N ATOM 224 CA GLU A 16 -5.872 4.214 -3.472 1.00 0.00 C ATOM 225 C GLU A 16 -5.024 3.649 -4.620 1.00 0.00 C ATOM 226 O GLU A 16 -5.528 3.419 -5.719 1.00 0.00 O ATOM 227 CB GLU A 16 -7.094 3.339 -3.144 1.00 0.00 C ATOM 228 CG GLU A 16 -7.838 3.879 -1.907 1.00 0.00 C ATOM 229 CD GLU A 16 -8.972 2.985 -1.396 1.00 0.00 C ATOM 230 OE1 GLU A 16 -9.099 1.845 -1.893 1.00 0.00 O ATOM 231 OE2 GLU A 16 -9.694 3.467 -0.495 1.00 0.00 O ATOM 0 H GLU A 16 -7.282 5.604 -4.117 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.258 4.231 -2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.770 3.315 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.774 2.313 -2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.118 4.023 -1.102 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.248 4.860 -2.147 1.00 0.00 H new ATOM 238 N LEU A 17 -3.719 3.482 -4.370 1.00 0.00 N ATOM 239 CA LEU A 17 -2.705 3.162 -5.370 1.00 0.00 C ATOM 240 C LEU A 17 -2.927 1.761 -5.963 1.00 0.00 C ATOM 241 O LEU A 17 -3.023 0.780 -5.229 1.00 0.00 O ATOM 242 CB LEU A 17 -1.328 3.305 -4.706 1.00 0.00 C ATOM 243 CG LEU A 17 -0.116 3.244 -5.652 1.00 0.00 C ATOM 244 CD1 LEU A 17 -0.135 4.349 -6.719 1.00 0.00 C ATOM 245 CD2 LEU A 17 1.143 3.410 -4.791 1.00 0.00 C ATOM 0 H LEU A 17 -3.331 3.570 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.771 3.851 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.300 4.255 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.222 2.517 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.139 2.291 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.744 4.255 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.035 4.253 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.128 5.324 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.027 3.372 -5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.108 4.370 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.190 2.606 -4.057 1.00 0.00 H new ATOM 257 N SER A 18 -3.027 1.673 -7.296 1.00 0.00 N ATOM 258 CA SER A 18 -3.437 0.465 -8.016 1.00 0.00 C ATOM 259 C SER A 18 -2.230 -0.431 -8.342 1.00 0.00 C ATOM 260 O SER A 18 -1.969 -0.724 -9.509 1.00 0.00 O ATOM 261 CB SER A 18 -4.236 0.871 -9.270 1.00 0.00 C ATOM 262 OG SER A 18 -5.365 1.646 -8.916 1.00 0.00 O ATOM 0 H SER A 18 -2.820 2.457 -7.915 1.00 0.00 H new ATOM 0 HA SER A 18 -4.087 -0.137 -7.381 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.597 1.439 -9.946 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.556 -0.021 -9.808 1.00 0.00 H new ATOM 0 HG SER A 18 -6.179 1.113 -9.038 1.00 0.00 H new ATOM 268 N PHE A 19 -1.520 -0.902 -7.306 1.00 0.00 N ATOM 269 CA PHE A 19 -0.332 -1.753 -7.423 1.00 0.00 C ATOM 270 C PHE A 19 -0.688 -3.250 -7.441 1.00 0.00 C ATOM 271 O PHE A 19 -1.740 -3.654 -6.944 1.00 0.00 O ATOM 272 CB PHE A 19 0.657 -1.419 -6.298 1.00 0.00 C ATOM 273 CG PHE A 19 0.125 -1.623 -4.892 1.00 0.00 C ATOM 274 CD1 PHE A 19 0.184 -2.894 -4.281 1.00 0.00 C ATOM 275 CD2 PHE A 19 -0.406 -0.530 -4.177 1.00 0.00 C ATOM 276 CE1 PHE A 19 -0.200 -3.047 -2.933 1.00 0.00 C ATOM 277 CE2 PHE A 19 -0.873 -0.705 -2.861 1.00 0.00 C ATOM 278 CZ PHE A 19 -0.721 -1.950 -2.218 1.00 0.00 C ATOM 0 H PHE A 19 -1.765 -0.694 -6.338 1.00 0.00 H new ATOM 0 HA PHE A 19 0.143 -1.544 -8.381 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.549 -2.033 -6.425 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.968 -0.380 -6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.523 -3.749 -4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.455 0.444 -4.641 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.095 -4.006 -2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.348 0.115 -2.343 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.003 -2.063 -1.182 1.00 0.00 H new ATOM 288 N LYS A 20 0.191 -4.069 -8.036 1.00 0.00 N ATOM 289 CA LYS A 20 -0.044 -5.486 -8.315 1.00 0.00 C ATOM 290 C LYS A 20 1.038 -6.370 -7.664 1.00 0.00 C ATOM 291 O LYS A 20 1.294 -6.221 -6.469 1.00 0.00 O ATOM 292 CB LYS A 20 -0.235 -5.672 -9.838 1.00 0.00 C ATOM 293 CG LYS A 20 -1.379 -4.811 -10.419 1.00 0.00 C ATOM 294 CD LYS A 20 -2.769 -5.243 -9.914 1.00 0.00 C ATOM 295 CE LYS A 20 -3.872 -4.224 -10.227 1.00 0.00 C ATOM 296 NZ LYS A 20 -3.768 -3.026 -9.370 1.00 0.00 N ATOM 0 H LYS A 20 1.110 -3.751 -8.344 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.968 -5.829 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.695 -5.420 -10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.438 -6.722 -10.046 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.211 -3.767 -10.156 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.358 -4.873 -11.507 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.030 -6.201 -10.365 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.724 -5.400 -8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.808 -3.929 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.848 -4.689 -10.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.559 -2.383 -9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.803 -3.310 -8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.869 -2.540 -9.561 1.00 0.00 H new ATOM 310 N ARG A 21 1.633 -7.318 -8.406 1.00 0.00 N ATOM 311 CA ARG A 21 2.511 -8.362 -7.870 1.00 0.00 C ATOM 312 C ARG A 21 3.993 -7.971 -7.955 1.00 0.00 C ATOM 313 O ARG A 21 4.524 -7.765 -9.046 1.00 0.00 O ATOM 314 CB ARG A 21 2.234 -9.697 -8.587 1.00 0.00 C ATOM 315 CG ARG A 21 0.779 -10.125 -8.355 1.00 0.00 C ATOM 316 CD ARG A 21 0.473 -11.539 -8.865 1.00 0.00 C ATOM 317 NE ARG A 21 -0.960 -11.850 -8.711 1.00 0.00 N ATOM 318 CZ ARG A 21 -1.621 -11.983 -7.547 1.00 0.00 C ATOM 319 NH1 ARG A 21 -0.973 -12.049 -6.380 1.00 0.00 N ATOM 320 NH2 ARG A 21 -2.956 -12.034 -7.548 1.00 0.00 N ATOM 0 H ARG A 21 1.512 -7.378 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 21 2.288 -8.482 -6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.425 -9.592 -9.655 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.912 -10.466 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.559 -10.075 -7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.116 -9.416 -8.851 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.758 -11.622 -9.914 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.069 -12.267 -8.314 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.500 -11.976 -9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.046 -11.998 -6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.497 -12.150 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.468 -11.972 -8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.463 -12.135 -6.669 1.00 0.00 H new ATOM 334 N GLY A 22 4.663 -7.906 -6.794 1.00 0.00 N ATOM 335 CA GLY A 22 6.087 -7.607 -6.659 1.00 0.00 C ATOM 336 C GLY A 22 6.443 -6.119 -6.806 1.00 0.00 C ATOM 337 O GLY A 22 7.619 -5.791 -6.958 1.00 0.00 O ATOM 0 H GLY A 22 4.208 -8.067 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.427 -7.954 -5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.637 -8.175 -7.409 1.00 0.00 H new ATOM 341 N ASP A 23 5.448 -5.221 -6.748 1.00 0.00 N ATOM 342 CA ASP A 23 5.600 -3.777 -6.888 1.00 0.00 C ATOM 343 C ASP A 23 6.403 -3.221 -5.699 1.00 0.00 C ATOM 344 O ASP A 23 5.986 -3.363 -4.548 1.00 0.00 O ATOM 345 CB ASP A 23 4.210 -3.113 -6.987 1.00 0.00 C ATOM 346 CG ASP A 23 3.384 -3.534 -8.210 1.00 0.00 C ATOM 347 OD1 ASP A 23 3.448 -4.722 -8.590 1.00 0.00 O ATOM 348 OD2 ASP A 23 2.655 -2.662 -8.731 1.00 0.00 O ATOM 0 H ASP A 23 4.479 -5.499 -6.596 1.00 0.00 H new ATOM 0 HA ASP A 23 6.149 -3.551 -7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.645 -3.349 -6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.340 -2.031 -7.008 1.00 0.00 H new ATOM 353 N ILE A 24 7.561 -2.606 -5.985 1.00 0.00 N ATOM 354 CA ILE A 24 8.479 -2.053 -4.991 1.00 0.00 C ATOM 355 C ILE A 24 8.007 -0.643 -4.599 1.00 0.00 C ATOM 356 O ILE A 24 8.378 0.352 -5.224 1.00 0.00 O ATOM 357 CB ILE A 24 9.934 -2.079 -5.513 1.00 0.00 C ATOM 358 CG1 ILE A 24 10.362 -3.459 -6.064 1.00 0.00 C ATOM 359 CG2 ILE A 24 10.895 -1.623 -4.400 1.00 0.00 C ATOM 360 CD1 ILE A 24 10.222 -4.621 -5.071 1.00 0.00 C ATOM 0 H ILE A 24 7.889 -2.479 -6.942 1.00 0.00 H new ATOM 0 HA ILE A 24 8.472 -2.668 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 24 9.982 -1.387 -6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.766 -3.682 -6.949 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.401 -3.399 -6.387 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.919 -1.643 -4.773 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.641 -0.609 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.807 -2.294 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.545 -5.547 -5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.841 -4.427 -4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.180 -4.715 -4.765 1.00 0.00 H new ATOM 372 N LEU A 25 7.168 -0.578 -3.560 1.00 0.00 N ATOM 373 CA LEU A 25 6.492 0.622 -3.081 1.00 0.00 C ATOM 374 C LEU A 25 7.356 1.331 -2.033 1.00 0.00 C ATOM 375 O LEU A 25 7.584 0.795 -0.951 1.00 0.00 O ATOM 376 CB LEU A 25 5.126 0.208 -2.507 1.00 0.00 C ATOM 377 CG LEU A 25 4.170 -0.219 -3.641 1.00 0.00 C ATOM 378 CD1 LEU A 25 3.257 -1.369 -3.208 1.00 0.00 C ATOM 379 CD2 LEU A 25 3.318 0.972 -4.090 1.00 0.00 C ATOM 0 H LEU A 25 6.934 -1.402 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 25 6.336 1.327 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.255 -0.614 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.692 1.039 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 25 4.782 -0.567 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.599 -1.641 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.864 -2.230 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.657 -1.055 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.648 0.659 -4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.731 1.338 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.968 1.768 -4.452 1.00 0.00 H new ATOM 391 N LYS A 26 7.794 2.557 -2.348 1.00 0.00 N ATOM 392 CA LYS A 26 8.697 3.372 -1.542 1.00 0.00 C ATOM 393 C LYS A 26 7.823 4.193 -0.588 1.00 0.00 C ATOM 394 O LYS A 26 7.112 5.092 -1.035 1.00 0.00 O ATOM 395 CB LYS A 26 9.507 4.321 -2.454 1.00 0.00 C ATOM 396 CG LYS A 26 10.139 3.666 -3.694 1.00 0.00 C ATOM 397 CD LYS A 26 10.884 4.734 -4.515 1.00 0.00 C ATOM 398 CE LYS A 26 11.147 4.298 -5.963 1.00 0.00 C ATOM 399 NZ LYS A 26 9.910 4.277 -6.769 1.00 0.00 N ATOM 0 H LYS A 26 7.513 3.024 -3.211 1.00 0.00 H new ATOM 0 HA LYS A 26 9.400 2.747 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.852 5.127 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.300 4.778 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.829 2.878 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.367 3.196 -4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.301 5.655 -4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.834 4.960 -4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.866 4.977 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.598 3.306 -5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.154 4.229 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.341 3.445 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.362 5.142 -6.586 1.00 0.00 H new ATOM 413 N VAL A 27 7.885 3.923 0.722 1.00 0.00 N ATOM 414 CA VAL A 27 6.937 4.481 1.687 1.00 0.00 C ATOM 415 C VAL A 27 7.438 5.833 2.205 1.00 0.00 C ATOM 416 O VAL A 27 8.572 5.975 2.658 1.00 0.00 O ATOM 417 CB VAL A 27 6.685 3.474 2.831 1.00 0.00 C ATOM 418 CG1 VAL A 27 5.959 4.103 4.033 1.00 0.00 C ATOM 419 CG2 VAL A 27 5.839 2.306 2.306 1.00 0.00 C ATOM 0 H VAL A 27 8.590 3.315 1.138 1.00 0.00 H new ATOM 0 HA VAL A 27 5.981 4.658 1.194 1.00 0.00 H new ATOM 0 HB VAL A 27 7.662 3.133 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.810 3.347 4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.560 4.918 4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.992 4.490 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.661 1.595 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.885 2.684 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.370 1.808 1.494 1.00 0.00 H new ATOM 429 N LEU A 28 6.542 6.824 2.113 1.00 0.00 N ATOM 430 CA LEU A 28 6.761 8.226 2.467 1.00 0.00 C ATOM 431 C LEU A 28 6.409 8.479 3.947 1.00 0.00 C ATOM 432 O LEU A 28 7.039 9.318 4.590 1.00 0.00 O ATOM 433 CB LEU A 28 5.958 9.148 1.522 1.00 0.00 C ATOM 434 CG LEU A 28 6.098 8.822 0.016 1.00 0.00 C ATOM 435 CD1 LEU A 28 5.216 9.759 -0.825 1.00 0.00 C ATOM 436 CD2 LEU A 28 7.549 8.895 -0.484 1.00 0.00 C ATOM 0 H LEU A 28 5.596 6.657 1.771 1.00 0.00 H new ATOM 0 HA LEU A 28 7.818 8.459 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.904 9.093 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.276 10.178 1.687 1.00 0.00 H new ATOM 0 HG LEU A 28 5.765 7.791 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.328 9.514 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.173 9.636 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.520 10.792 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.580 8.656 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.938 9.901 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.160 8.180 0.067 1.00 0.00 H new ATOM 448 N ASN A 29 5.441 7.727 4.501 1.00 0.00 N ATOM 449 CA ASN A 29 5.066 7.751 5.915 1.00 0.00 C ATOM 450 C ASN A 29 5.919 6.722 6.672 1.00 0.00 C ATOM 451 O ASN A 29 5.460 5.620 6.975 1.00 0.00 O ATOM 452 CB ASN A 29 3.560 7.463 6.068 1.00 0.00 C ATOM 453 CG ASN A 29 2.690 8.538 5.430 1.00 0.00 C ATOM 454 OD1 ASN A 29 2.304 8.428 4.271 1.00 0.00 O ATOM 455 ND2 ASN A 29 2.358 9.580 6.184 1.00 0.00 N ATOM 0 H ASN A 29 4.885 7.068 3.956 1.00 0.00 H new ATOM 0 HA ASN A 29 5.253 8.738 6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.330 6.499 5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.315 7.384 7.127 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.766 10.318 5.802 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.695 9.642 7.145 1.00 0.00 H new ATOM 462 N GLU A 30 7.170 7.102 6.977 1.00 0.00 N ATOM 463 CA GLU A 30 8.149 6.301 7.717 1.00 0.00 C ATOM 464 C GLU A 30 7.575 5.758 9.037 1.00 0.00 C ATOM 465 O GLU A 30 7.682 4.565 9.320 1.00 0.00 O ATOM 466 CB GLU A 30 9.424 7.136 7.933 1.00 0.00 C ATOM 467 CG GLU A 30 10.555 6.316 8.576 1.00 0.00 C ATOM 468 CD GLU A 30 11.844 7.131 8.707 1.00 0.00 C ATOM 469 OE1 GLU A 30 11.914 7.936 9.661 1.00 0.00 O ATOM 470 OE2 GLU A 30 12.732 6.941 7.848 1.00 0.00 O ATOM 0 H GLU A 30 7.538 8.013 6.702 1.00 0.00 H new ATOM 0 HA GLU A 30 8.404 5.421 7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.764 7.531 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.192 7.992 8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.240 5.973 9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.746 5.427 7.975 1.00 0.00 H new ATOM 477 N GLU A 31 6.919 6.637 9.807 1.00 0.00 N ATOM 478 CA GLU A 31 6.126 6.302 10.991 1.00 0.00 C ATOM 479 C GLU A 31 4.891 5.502 10.562 1.00 0.00 C ATOM 480 O GLU A 31 3.813 6.044 10.323 1.00 0.00 O ATOM 481 CB GLU A 31 5.785 7.581 11.774 1.00 0.00 C ATOM 482 CG GLU A 31 7.042 8.085 12.503 1.00 0.00 C ATOM 483 CD GLU A 31 7.285 7.363 13.832 1.00 0.00 C ATOM 484 OE1 GLU A 31 6.664 7.786 14.831 1.00 0.00 O ATOM 485 OE2 GLU A 31 8.084 6.401 13.828 1.00 0.00 O ATOM 0 H GLU A 31 6.928 7.638 9.612 1.00 0.00 H new ATOM 0 HA GLU A 31 6.696 5.670 11.671 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.413 8.348 11.095 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.991 7.380 12.493 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.910 7.950 11.857 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.945 9.155 12.688 1.00 0.00 H new ATOM 492 N SER A 32 5.108 4.191 10.434 1.00 0.00 N ATOM 493 CA SER A 32 4.188 3.221 9.847 1.00 0.00 C ATOM 494 C SER A 32 3.211 2.661 10.897 1.00 0.00 C ATOM 495 O SER A 32 3.144 1.448 11.101 1.00 0.00 O ATOM 496 CB SER A 32 5.007 2.118 9.147 1.00 0.00 C ATOM 497 OG SER A 32 5.786 2.651 8.092 1.00 0.00 O ATOM 0 H SER A 32 5.974 3.758 10.754 1.00 0.00 H new ATOM 0 HA SER A 32 3.564 3.712 9.101 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.658 1.629 9.872 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.334 1.354 8.756 1.00 0.00 H new ATOM 0 HG SER A 32 6.430 3.295 8.454 1.00 0.00 H new ATOM 503 N ASP A 33 2.429 3.547 11.533 1.00 0.00 N ATOM 504 CA ASP A 33 1.349 3.222 12.469 1.00 0.00 C ATOM 505 C ASP A 33 -0.017 3.279 11.757 1.00 0.00 C ATOM 506 O ASP A 33 -0.784 2.315 11.790 1.00 0.00 O ATOM 507 CB ASP A 33 1.427 4.143 13.706 1.00 0.00 C ATOM 508 CG ASP A 33 1.143 5.626 13.433 1.00 0.00 C ATOM 509 OD1 ASP A 33 1.609 6.121 12.384 1.00 0.00 O ATOM 510 OD2 ASP A 33 0.444 6.236 14.272 1.00 0.00 O ATOM 0 H ASP A 33 2.539 4.552 11.401 1.00 0.00 H new ATOM 0 HA ASP A 33 1.467 2.199 12.827 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.717 3.785 14.452 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.421 4.054 14.144 1.00 0.00 H new ATOM 515 N GLN A 34 -0.303 4.409 11.091 1.00 0.00 N ATOM 516 CA GLN A 34 -1.488 4.641 10.273 1.00 0.00 C ATOM 517 C GLN A 34 -1.513 3.638 9.109 1.00 0.00 C ATOM 518 O GLN A 34 -0.765 3.784 8.147 1.00 0.00 O ATOM 519 CB GLN A 34 -1.503 6.112 9.813 1.00 0.00 C ATOM 520 CG GLN A 34 -2.532 6.438 8.715 1.00 0.00 C ATOM 521 CD GLN A 34 -3.945 5.913 8.988 1.00 0.00 C ATOM 522 OE1 GLN A 34 -4.394 5.837 10.129 1.00 0.00 O ATOM 523 NE2 GLN A 34 -4.654 5.538 7.926 1.00 0.00 N ATOM 0 H GLN A 34 0.318 5.218 11.114 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.400 4.476 10.847 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.703 6.746 10.677 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.510 6.374 9.449 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.579 7.520 8.589 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.180 6.022 7.771 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.252 5.614 6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.599 5.175 8.046 1.00 0.00 H new ATOM 532 N ASN A 35 -2.373 2.616 9.233 1.00 0.00 N ATOM 533 CA ASN A 35 -2.465 1.415 8.395 1.00 0.00 C ATOM 534 C ASN A 35 -2.316 1.686 6.889 1.00 0.00 C ATOM 535 O ASN A 35 -1.623 0.940 6.196 1.00 0.00 O ATOM 536 CB ASN A 35 -3.797 0.688 8.680 1.00 0.00 C ATOM 537 CG ASN A 35 -3.889 -0.036 10.031 1.00 0.00 C ATOM 538 OD1 ASN A 35 -4.704 -0.942 10.183 1.00 0.00 O ATOM 539 ND2 ASN A 35 -3.066 0.318 11.018 1.00 0.00 N ATOM 0 H ASN A 35 -3.072 2.608 9.976 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.618 0.784 8.665 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.606 1.417 8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.968 -0.040 7.887 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.108 -0.166 11.915 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.395 1.073 10.876 1.00 0.00 H new ATOM 546 N TRP A 36 -2.964 2.748 6.392 1.00 0.00 N ATOM 547 CA TRP A 36 -2.856 3.198 5.012 1.00 0.00 C ATOM 548 C TRP A 36 -1.701 4.202 4.895 1.00 0.00 C ATOM 549 O TRP A 36 -1.859 5.379 5.219 1.00 0.00 O ATOM 550 CB TRP A 36 -4.192 3.785 4.542 1.00 0.00 C ATOM 551 CG TRP A 36 -5.315 2.798 4.404 1.00 0.00 C ATOM 552 CD1 TRP A 36 -6.030 2.267 5.422 1.00 0.00 C ATOM 553 CD2 TRP A 36 -5.880 2.232 3.184 1.00 0.00 C ATOM 554 NE1 TRP A 36 -7.055 1.491 4.921 1.00 0.00 N ATOM 555 CE2 TRP A 36 -7.023 1.453 3.544 1.00 0.00 C ATOM 556 CE3 TRP A 36 -5.554 2.301 1.806 1.00 0.00 C ATOM 557 CZ2 TRP A 36 -7.842 0.837 2.582 1.00 0.00 C ATOM 558 CZ3 TRP A 36 -6.354 1.664 0.832 1.00 0.00 C ATOM 559 CH2 TRP A 36 -7.512 0.956 1.218 1.00 0.00 C ATOM 0 H TRP A 36 -3.589 3.325 6.955 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.632 2.355 4.358 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.496 4.560 5.245 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.037 4.271 3.579 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.829 2.427 6.471 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.746 1.008 5.495 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.678 2.851 1.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.715 0.278 2.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -6.079 1.719 -0.211 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.145 0.506 0.468 1.00 0.00 H new ATOM 570 N TYR A 37 -0.548 3.728 4.404 1.00 0.00 N ATOM 571 CA TYR A 37 0.673 4.509 4.210 1.00 0.00 C ATOM 572 C TYR A 37 0.641 5.124 2.807 1.00 0.00 C ATOM 573 O TYR A 37 0.238 4.447 1.865 1.00 0.00 O ATOM 574 CB TYR A 37 1.913 3.589 4.302 1.00 0.00 C ATOM 575 CG TYR A 37 1.912 2.536 5.401 1.00 0.00 C ATOM 576 CD1 TYR A 37 1.733 2.922 6.746 1.00 0.00 C ATOM 577 CD2 TYR A 37 2.074 1.167 5.081 1.00 0.00 C ATOM 578 CE1 TYR A 37 1.671 1.944 7.760 1.00 0.00 C ATOM 579 CE2 TYR A 37 2.080 0.197 6.106 1.00 0.00 C ATOM 580 CZ TYR A 37 1.869 0.585 7.446 1.00 0.00 C ATOM 581 OH TYR A 37 1.864 -0.350 8.439 1.00 0.00 O ATOM 0 H TYR A 37 -0.440 2.754 4.122 1.00 0.00 H new ATOM 0 HA TYR A 37 0.730 5.281 4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.029 3.080 3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.793 4.218 4.437 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.643 3.968 6.999 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.193 0.864 4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.471 2.238 8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.246 -0.842 5.865 1.00 0.00 H new ATOM 0 HH TYR A 37 0.939 -0.565 8.681 1.00 0.00 H new ATOM 591 N LYS A 38 1.127 6.360 2.627 1.00 0.00 N ATOM 592 CA LYS A 38 1.299 6.911 1.285 1.00 0.00 C ATOM 593 C LYS A 38 2.701 6.540 0.785 1.00 0.00 C ATOM 594 O LYS A 38 3.698 6.819 1.452 1.00 0.00 O ATOM 595 CB LYS A 38 1.041 8.427 1.239 1.00 0.00 C ATOM 596 CG LYS A 38 0.996 8.874 -0.232 1.00 0.00 C ATOM 597 CD LYS A 38 0.636 10.353 -0.416 1.00 0.00 C ATOM 598 CE LYS A 38 0.740 10.677 -1.913 1.00 0.00 C ATOM 599 NZ LYS A 38 0.326 12.053 -2.234 1.00 0.00 N ATOM 0 H LYS A 38 1.403 6.985 3.384 1.00 0.00 H new ATOM 0 HA LYS A 38 0.554 6.477 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.101 8.666 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.828 8.961 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.967 8.686 -0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.268 8.263 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.372 10.549 -0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.312 10.985 0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.769 10.527 -2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.121 9.977 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.497 12.241 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.687 12.168 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.875 12.724 -1.659 1.00 0.00 H new ATOM 613 N ALA A 39 2.756 5.879 -0.380 1.00 0.00 N ATOM 614 CA ALA A 39 3.970 5.423 -1.048 1.00 0.00 C ATOM 615 C ALA A 39 4.020 5.914 -2.500 1.00 0.00 C ATOM 616 O ALA A 39 2.983 6.197 -3.104 1.00 0.00 O ATOM 617 CB ALA A 39 4.032 3.891 -1.015 1.00 0.00 C ATOM 0 H ALA A 39 1.913 5.640 -0.901 1.00 0.00 H new ATOM 0 HA ALA A 39 4.829 5.837 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.940 3.553 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.039 3.549 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.162 3.481 -1.527 1.00 0.00 H new ATOM 623 N GLU A 40 5.236 5.960 -3.060 1.00 0.00 N ATOM 624 CA GLU A 40 5.513 6.204 -4.469 1.00 0.00 C ATOM 625 C GLU A 40 5.970 4.895 -5.126 1.00 0.00 C ATOM 626 O GLU A 40 6.929 4.271 -4.675 1.00 0.00 O ATOM 627 CB GLU A 40 6.571 7.310 -4.600 1.00 0.00 C ATOM 628 CG GLU A 40 6.542 7.922 -6.008 1.00 0.00 C ATOM 629 CD GLU A 40 6.947 6.967 -7.132 1.00 0.00 C ATOM 630 OE1 GLU A 40 8.053 6.389 -7.025 1.00 0.00 O ATOM 631 OE2 GLU A 40 6.139 6.822 -8.075 1.00 0.00 O ATOM 0 H GLU A 40 6.086 5.821 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 40 4.613 6.544 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.388 8.086 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.560 6.900 -4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.536 8.290 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.207 8.786 -6.027 1.00 0.00 H new ATOM 638 N LEU A 41 5.282 4.480 -6.194 1.00 0.00 N ATOM 639 CA LEU A 41 5.493 3.213 -6.880 1.00 0.00 C ATOM 640 C LEU A 41 6.761 3.271 -7.743 1.00 0.00 C ATOM 641 O LEU A 41 7.758 2.610 -7.453 1.00 0.00 O ATOM 642 CB LEU A 41 4.227 2.883 -7.706 1.00 0.00 C ATOM 643 CG LEU A 41 3.999 1.372 -7.802 1.00 0.00 C ATOM 644 CD1 LEU A 41 2.597 1.065 -8.346 1.00 0.00 C ATOM 645 CD2 LEU A 41 5.065 0.645 -8.635 1.00 0.00 C ATOM 0 H LEU A 41 4.540 5.039 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 41 5.651 2.411 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.358 3.355 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.325 3.302 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 41 4.085 0.990 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.458 -0.014 -8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.847 1.491 -7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.489 1.500 -9.340 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.842 -0.422 -8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.065 1.040 -9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.046 0.799 -8.185 1.00 0.00 H new ATOM 657 N ASN A 42 6.690 4.086 -8.798 1.00 0.00 N ATOM 658 CA ASN A 42 7.716 4.388 -9.785 1.00 0.00 C ATOM 659 C ASN A 42 7.220 5.532 -10.686 1.00 0.00 C ATOM 660 O ASN A 42 7.922 6.522 -10.888 1.00 0.00 O ATOM 661 CB ASN A 42 8.095 3.130 -10.593 1.00 0.00 C ATOM 662 CG ASN A 42 9.265 3.391 -11.544 1.00 0.00 C ATOM 663 OD1 ASN A 42 10.422 3.195 -11.181 1.00 0.00 O ATOM 664 ND2 ASN A 42 8.978 3.838 -12.767 1.00 0.00 N ATOM 0 H ASN A 42 5.830 4.596 -8.997 1.00 0.00 H new ATOM 0 HA ASN A 42 8.627 4.714 -9.282 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.358 2.324 -9.908 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.231 2.793 -11.165 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.729 4.027 -13.430 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.007 3.991 -13.039 1.00 0.00 H new ATOM 671 N GLY A 43 5.998 5.376 -11.213 1.00 0.00 N ATOM 672 CA GLY A 43 5.277 6.362 -12.007 1.00 0.00 C ATOM 673 C GLY A 43 4.413 7.297 -11.147 1.00 0.00 C ATOM 674 O GLY A 43 4.485 8.514 -11.316 1.00 0.00 O ATOM 0 H GLY A 43 5.466 4.515 -11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.991 6.956 -12.577 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.642 5.848 -12.728 1.00 0.00 H new ATOM 678 N LYS A 44 3.564 6.730 -10.271 1.00 0.00 N ATOM 679 CA LYS A 44 2.536 7.449 -9.507 1.00 0.00 C ATOM 680 C LYS A 44 2.594 7.152 -7.996 1.00 0.00 C ATOM 681 O LYS A 44 3.124 6.127 -7.562 1.00 0.00 O ATOM 682 CB LYS A 44 1.139 7.107 -10.062 1.00 0.00 C ATOM 683 CG LYS A 44 0.936 7.604 -11.503 1.00 0.00 C ATOM 684 CD LYS A 44 -0.450 7.244 -12.068 1.00 0.00 C ATOM 685 CE LYS A 44 -1.602 7.964 -11.347 1.00 0.00 C ATOM 686 NZ LYS A 44 -2.897 7.690 -11.998 1.00 0.00 N ATOM 0 H LYS A 44 3.577 5.730 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 44 2.735 8.514 -9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.994 6.027 -10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.378 7.549 -9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.065 8.686 -11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.707 7.174 -12.143 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.480 7.495 -13.128 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.598 6.167 -11.991 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.640 7.642 -10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.416 9.038 -11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.656 8.176 -11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.872 8.035 -12.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.077 6.666 -11.996 1.00 0.00 H new ATOM 700 N ASP A 45 2.000 8.067 -7.214 1.00 0.00 N ATOM 701 CA ASP A 45 1.893 8.057 -5.758 1.00 0.00 C ATOM 702 C ASP A 45 0.433 7.863 -5.297 1.00 0.00 C ATOM 703 O ASP A 45 -0.496 8.369 -5.929 1.00 0.00 O ATOM 704 CB ASP A 45 2.486 9.370 -5.207 1.00 0.00 C ATOM 705 CG ASP A 45 1.733 10.626 -5.669 1.00 0.00 C ATOM 706 OD1 ASP A 45 1.723 10.869 -6.896 1.00 0.00 O ATOM 707 OD2 ASP A 45 1.178 11.323 -4.791 1.00 0.00 O ATOM 0 H ASP A 45 1.552 8.890 -7.618 1.00 0.00 H new ATOM 0 HA ASP A 45 2.457 7.211 -5.364 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.480 9.333 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.528 9.447 -5.517 1.00 0.00 H new ATOM 712 N GLY A 46 0.231 7.145 -4.182 1.00 0.00 N ATOM 713 CA GLY A 46 -1.080 6.954 -3.555 1.00 0.00 C ATOM 714 C GLY A 46 -1.016 6.073 -2.297 1.00 0.00 C ATOM 715 O GLY A 46 0.069 5.750 -1.814 1.00 0.00 O ATOM 0 H GLY A 46 0.987 6.675 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.497 7.926 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.760 6.501 -4.276 1.00 0.00 H new ATOM 719 N PHE A 47 -2.185 5.674 -1.771 1.00 0.00 N ATOM 720 CA PHE A 47 -2.333 4.984 -0.487 1.00 0.00 C ATOM 721 C PHE A 47 -2.251 3.453 -0.636 1.00 0.00 C ATOM 722 O PHE A 47 -2.695 2.878 -1.630 1.00 0.00 O ATOM 723 CB PHE A 47 -3.628 5.432 0.210 1.00 0.00 C ATOM 724 CG PHE A 47 -3.610 6.879 0.675 1.00 0.00 C ATOM 725 CD1 PHE A 47 -2.925 7.228 1.862 1.00 0.00 C ATOM 726 CD2 PHE A 47 -4.226 7.888 -0.099 1.00 0.00 C ATOM 727 CE1 PHE A 47 -2.880 8.573 2.285 1.00 0.00 C ATOM 728 CE2 PHE A 47 -4.181 9.233 0.325 1.00 0.00 C ATOM 729 CZ PHE A 47 -3.509 9.575 1.517 1.00 0.00 C ATOM 0 H PHE A 47 -3.076 5.828 -2.243 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.493 5.267 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.464 5.291 -0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.808 4.787 1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.435 6.463 2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.732 7.629 -1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.364 8.835 3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.661 10.001 -0.263 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.476 10.604 1.842 1.00 0.00 H new ATOM 739 N ILE A 48 -1.655 2.814 0.381 1.00 0.00 N ATOM 740 CA ILE A 48 -1.231 1.428 0.458 1.00 0.00 C ATOM 741 C ILE A 48 -1.669 0.859 1.819 1.00 0.00 C ATOM 742 O ILE A 48 -1.098 1.256 2.836 1.00 0.00 O ATOM 743 CB ILE A 48 0.313 1.437 0.338 1.00 0.00 C ATOM 744 CG1 ILE A 48 0.946 0.075 0.645 1.00 0.00 C ATOM 745 CG2 ILE A 48 0.781 1.991 -1.020 1.00 0.00 C ATOM 746 CD1 ILE A 48 2.480 0.134 0.632 1.00 0.00 C ATOM 0 H ILE A 48 -1.442 3.310 1.246 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.669 0.812 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 48 0.670 2.119 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.605 -0.271 1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.606 -0.656 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.870 1.980 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.380 1.372 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.424 3.014 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.884 -0.854 0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.824 0.453 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.823 0.844 1.384 1.00 0.00 H new ATOM 758 N PRO A 49 -2.631 -0.082 1.875 1.00 0.00 N ATOM 759 CA PRO A 49 -3.019 -0.736 3.118 1.00 0.00 C ATOM 760 C PRO A 49 -1.953 -1.765 3.537 1.00 0.00 C ATOM 761 O PRO A 49 -1.521 -2.576 2.717 1.00 0.00 O ATOM 762 CB PRO A 49 -4.376 -1.384 2.829 1.00 0.00 C ATOM 763 CG PRO A 49 -4.472 -1.517 1.306 1.00 0.00 C ATOM 764 CD PRO A 49 -3.331 -0.669 0.740 1.00 0.00 C ATOM 0 HA PRO A 49 -3.098 -0.039 3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.452 -2.359 3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.190 -0.772 3.218 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.375 -2.558 0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.438 -1.165 0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.654 -1.282 0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.719 0.109 0.082 1.00 0.00 H new ATOM 772 N LYS A 50 -1.528 -1.733 4.812 1.00 0.00 N ATOM 773 CA LYS A 50 -0.468 -2.580 5.370 1.00 0.00 C ATOM 774 C LYS A 50 -0.642 -4.083 5.074 1.00 0.00 C ATOM 775 O LYS A 50 0.338 -4.785 4.830 1.00 0.00 O ATOM 776 CB LYS A 50 -0.324 -2.312 6.882 1.00 0.00 C ATOM 777 CG LYS A 50 -1.381 -3.024 7.742 1.00 0.00 C ATOM 778 CD LYS A 50 -1.292 -2.611 9.219 1.00 0.00 C ATOM 779 CE LYS A 50 -2.121 -3.531 10.130 1.00 0.00 C ATOM 780 NZ LYS A 50 -3.532 -3.633 9.708 1.00 0.00 N ATOM 0 H LYS A 50 -1.927 -1.096 5.501 1.00 0.00 H new ATOM 0 HA LYS A 50 0.455 -2.301 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.667 -2.629 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.388 -1.238 7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.375 -2.793 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.250 -4.103 7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.250 -2.630 9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.640 -1.584 9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.676 -4.526 10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.079 -3.156 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.066 -4.181 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.940 -2.680 9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.585 -4.110 8.785 1.00 0.00 H new ATOM 794 N ASN A 51 -1.890 -4.576 5.101 1.00 0.00 N ATOM 795 CA ASN A 51 -2.246 -5.971 4.838 1.00 0.00 C ATOM 796 C ASN A 51 -1.872 -6.426 3.411 1.00 0.00 C ATOM 797 O ASN A 51 -1.650 -7.615 3.191 1.00 0.00 O ATOM 798 CB ASN A 51 -3.752 -6.179 5.100 1.00 0.00 C ATOM 799 CG ASN A 51 -4.196 -5.940 6.550 1.00 0.00 C ATOM 800 OD1 ASN A 51 -3.443 -5.457 7.392 1.00 0.00 O ATOM 801 ND2 ASN A 51 -5.448 -6.276 6.857 1.00 0.00 N ATOM 0 H ASN A 51 -2.700 -3.994 5.313 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.664 -6.592 5.519 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.315 -5.511 4.448 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.018 -7.198 4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.796 -6.133 7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.058 -6.676 6.144 1.00 0.00 H new ATOM 808 N TYR A 52 -1.807 -5.491 2.448 1.00 0.00 N ATOM 809 CA TYR A 52 -1.552 -5.736 1.027 1.00 0.00 C ATOM 810 C TYR A 52 -0.061 -5.653 0.632 1.00 0.00 C ATOM 811 O TYR A 52 0.248 -5.531 -0.552 1.00 0.00 O ATOM 812 CB TYR A 52 -2.468 -4.799 0.209 1.00 0.00 C ATOM 813 CG TYR A 52 -3.879 -5.348 0.057 1.00 0.00 C ATOM 814 CD1 TYR A 52 -4.797 -5.269 1.130 1.00 0.00 C ATOM 815 CD2 TYR A 52 -4.208 -6.120 -1.081 1.00 0.00 C ATOM 816 CE1 TYR A 52 -6.052 -5.903 1.035 1.00 0.00 C ATOM 817 CE2 TYR A 52 -5.467 -6.749 -1.177 1.00 0.00 C ATOM 818 CZ TYR A 52 -6.395 -6.629 -0.123 1.00 0.00 C ATOM 819 OH TYR A 52 -7.625 -7.212 -0.222 1.00 0.00 O ATOM 0 H TYR A 52 -1.937 -4.500 2.653 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.800 -6.772 0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.512 -3.824 0.695 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.034 -4.644 -0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.536 -4.722 2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.491 -6.229 -1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.754 -5.832 1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.719 -7.322 -2.057 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.746 -7.847 0.515 1.00 0.00 H new ATOM 829 N ILE A 53 0.868 -5.790 1.591 1.00 0.00 N ATOM 830 CA ILE A 53 2.313 -5.895 1.358 1.00 0.00 C ATOM 831 C ILE A 53 2.947 -6.969 2.258 1.00 0.00 C ATOM 832 O ILE A 53 2.394 -7.338 3.295 1.00 0.00 O ATOM 833 CB ILE A 53 3.016 -4.534 1.567 1.00 0.00 C ATOM 834 CG1 ILE A 53 2.680 -3.915 2.941 1.00 0.00 C ATOM 835 CG2 ILE A 53 2.698 -3.567 0.415 1.00 0.00 C ATOM 836 CD1 ILE A 53 3.683 -2.853 3.403 1.00 0.00 C ATOM 0 H ILE A 53 0.624 -5.832 2.581 1.00 0.00 H new ATOM 0 HA ILE A 53 2.452 -6.195 0.319 1.00 0.00 H new ATOM 0 HB ILE A 53 4.091 -4.717 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.687 -3.468 2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.637 -4.709 3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.205 -2.617 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.041 -3.997 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.622 -3.400 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.380 -2.465 4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.674 -3.299 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.709 -2.038 2.679 1.00 0.00 H new ATOM 848 N GLU A 54 4.142 -7.435 1.866 1.00 0.00 N ATOM 849 CA GLU A 54 5.007 -8.287 2.679 1.00 0.00 C ATOM 850 C GLU A 54 5.456 -7.535 3.945 1.00 0.00 C ATOM 851 O GLU A 54 5.334 -8.052 5.055 1.00 0.00 O ATOM 852 CB GLU A 54 6.213 -8.741 1.834 1.00 0.00 C ATOM 853 CG GLU A 54 7.078 -9.770 2.580 1.00 0.00 C ATOM 854 CD GLU A 54 8.309 -10.180 1.771 1.00 0.00 C ATOM 855 OE1 GLU A 54 9.320 -9.449 1.859 1.00 0.00 O ATOM 856 OE2 GLU A 54 8.217 -11.214 1.073 1.00 0.00 O ATOM 0 H GLU A 54 4.539 -7.221 0.951 1.00 0.00 H new ATOM 0 HA GLU A 54 4.458 -9.172 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.859 -9.174 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.821 -7.875 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.395 -9.352 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.479 -10.654 2.802 1.00 0.00 H new ATOM 863 N MET A 55 5.978 -6.313 3.749 1.00 0.00 N ATOM 864 CA MET A 55 6.470 -5.374 4.759 1.00 0.00 C ATOM 865 C MET A 55 7.829 -5.804 5.333 1.00 0.00 C ATOM 866 O MET A 55 8.801 -5.052 5.266 1.00 0.00 O ATOM 867 CB MET A 55 5.405 -5.096 5.842 1.00 0.00 C ATOM 868 CG MET A 55 5.703 -3.803 6.617 1.00 0.00 C ATOM 869 SD MET A 55 4.410 -3.306 7.792 1.00 0.00 S ATOM 870 CE MET A 55 5.090 -1.725 8.354 1.00 0.00 C ATOM 0 H MET A 55 6.072 -5.931 2.808 1.00 0.00 H new ATOM 0 HA MET A 55 6.652 -4.420 4.263 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.423 -5.022 5.375 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.365 -5.935 6.537 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.639 -3.929 7.160 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.856 -2.994 5.902 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.417 -1.279 9.086 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.065 -1.891 8.812 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.198 -1.052 7.503 1.00 0.00 H new ATOM 937 N PRO B 3 -5.852 -11.585 2.927 1.00 0.00 N ATOM 938 CA PRO B 3 -5.627 -10.344 3.667 1.00 0.00 C ATOM 939 C PRO B 3 -6.776 -9.345 3.417 1.00 0.00 C ATOM 940 O PRO B 3 -6.972 -8.935 2.273 1.00 0.00 O ATOM 941 CB PRO B 3 -4.280 -9.804 3.161 1.00 0.00 C ATOM 942 CG PRO B 3 -4.152 -10.396 1.758 1.00 0.00 C ATOM 943 CD PRO B 3 -4.845 -11.752 1.888 1.00 0.00 C ATOM 0 HA PRO B 3 -5.603 -10.506 4.745 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -4.270 -8.714 3.138 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -3.457 -10.117 3.804 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -4.634 -9.767 1.010 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -3.109 -10.503 1.460 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -5.302 -12.049 0.944 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -4.132 -12.531 2.156 1.00 0.00 H new ATOM 951 N PRO B 4 -7.543 -8.944 4.452 1.00 0.00 N ATOM 952 CA PRO B 4 -8.669 -8.024 4.309 1.00 0.00 C ATOM 953 C PRO B 4 -8.189 -6.569 4.169 1.00 0.00 C ATOM 954 O PRO B 4 -7.051 -6.246 4.507 1.00 0.00 O ATOM 955 CB PRO B 4 -9.502 -8.225 5.581 1.00 0.00 C ATOM 956 CG PRO B 4 -8.436 -8.532 6.632 1.00 0.00 C ATOM 957 CD PRO B 4 -7.402 -9.346 5.847 1.00 0.00 C ATOM 0 HA PRO B 4 -9.250 -8.223 3.409 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -10.076 -7.334 5.834 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -10.214 -9.044 5.474 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -8.003 -7.621 7.046 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -8.845 -9.099 7.468 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -6.393 -9.147 6.209 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -7.578 -10.415 5.964 1.00 0.00 H new ATOM 965 N VAL B 5 -9.071 -5.690 3.674 1.00 0.00 N ATOM 966 CA VAL B 5 -8.818 -4.260 3.487 1.00 0.00 C ATOM 967 C VAL B 5 -9.059 -3.524 4.827 1.00 0.00 C ATOM 968 O VAL B 5 -10.200 -3.500 5.290 1.00 0.00 O ATOM 969 CB VAL B 5 -9.719 -3.726 2.348 1.00 0.00 C ATOM 970 CG1 VAL B 5 -9.532 -2.215 2.153 1.00 0.00 C ATOM 971 CG2 VAL B 5 -9.409 -4.422 1.009 1.00 0.00 C ATOM 0 H VAL B 5 -10.009 -5.966 3.384 1.00 0.00 H new ATOM 0 HA VAL B 5 -7.783 -4.083 3.194 1.00 0.00 H new ATOM 0 HB VAL B 5 -10.746 -3.939 2.643 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -10.178 -1.870 1.346 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -9.792 -1.694 3.075 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -8.492 -2.007 1.900 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -10.060 -4.022 0.232 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.369 -4.243 0.738 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -9.578 -5.494 1.108 1.00 0.00 H new ATOM 981 N PRO B 6 -8.030 -2.919 5.463 1.00 0.00 N ATOM 982 CA PRO B 6 -8.167 -2.164 6.712 1.00 0.00 C ATOM 983 C PRO B 6 -9.106 -0.949 6.585 1.00 0.00 C ATOM 984 O PRO B 6 -9.235 -0.390 5.495 1.00 0.00 O ATOM 985 CB PRO B 6 -6.750 -1.686 7.083 1.00 0.00 C ATOM 986 CG PRO B 6 -5.830 -2.631 6.318 1.00 0.00 C ATOM 987 CD PRO B 6 -6.635 -2.928 5.055 1.00 0.00 C ATOM 0 HA PRO B 6 -8.610 -2.805 7.474 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -6.589 -0.648 6.790 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -6.578 -1.744 8.158 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -4.871 -2.166 6.088 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -5.617 -3.537 6.885 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -6.448 -2.178 4.287 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -6.357 -3.894 4.632 1.00 0.00 H new ATOM 995 N PRO B 7 -9.710 -0.481 7.694 1.00 0.00 N ATOM 996 CA PRO B 7 -10.445 0.779 7.732 1.00 0.00 C ATOM 997 C PRO B 7 -9.471 1.960 7.567 1.00 0.00 C ATOM 998 O PRO B 7 -8.386 1.959 8.154 1.00 0.00 O ATOM 999 CB PRO B 7 -11.145 0.796 9.096 1.00 0.00 C ATOM 1000 CG PRO B 7 -10.195 -0.012 9.982 1.00 0.00 C ATOM 1001 CD PRO B 7 -9.650 -1.075 9.023 1.00 0.00 C ATOM 0 HA PRO B 7 -11.171 0.870 6.924 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -11.278 1.812 9.468 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -12.135 0.342 9.047 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -9.398 0.609 10.391 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -10.716 -0.461 10.828 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -8.627 -1.348 9.283 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -10.246 -1.987 9.071 1.00 0.00 H new ATOM 1009 N ARG B 8 -9.850 2.961 6.758 1.00 0.00 N ATOM 1010 CA ARG B 8 -9.009 4.121 6.456 1.00 0.00 C ATOM 1011 C ARG B 8 -8.657 4.935 7.705 1.00 0.00 C ATOM 1012 O ARG B 8 -7.489 5.258 7.909 1.00 0.00 O ATOM 1013 CB ARG B 8 -9.626 4.987 5.345 1.00 0.00 C ATOM 1014 CG ARG B 8 -9.631 4.231 4.003 1.00 0.00 C ATOM 1015 CD ARG B 8 -9.938 5.140 2.807 1.00 0.00 C ATOM 1016 NE ARG B 8 -8.855 6.118 2.575 1.00 0.00 N ATOM 1017 CZ ARG B 8 -8.375 6.539 1.392 1.00 0.00 C ATOM 1018 NH1 ARG B 8 -8.799 6.036 0.230 1.00 0.00 N ATOM 1019 NH2 ARG B 8 -7.442 7.494 1.354 1.00 0.00 N ATOM 0 H ARG B 8 -10.757 2.985 6.293 1.00 0.00 H new ATOM 0 HA ARG B 8 -8.062 3.737 6.076 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.645 5.263 5.616 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -9.061 5.914 5.244 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -8.660 3.759 3.854 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.371 3.432 4.045 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -10.077 4.532 1.913 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -10.875 5.669 2.982 1.00 0.00 H new ATOM 0 HE ARG B 8 -8.422 6.519 3.407 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.512 5.306 0.220 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.410 6.382 -0.647 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -7.095 7.903 2.222 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -7.077 7.815 0.457 1.00 0.00 H new ATOM 1033 N ARG B 9 -9.656 5.242 8.543 1.00 0.00 N ATOM 1034 CA ARG B 9 -9.488 5.946 9.816 1.00 0.00 C ATOM 1035 C ARG B 9 -8.828 7.319 9.579 1.00 0.00 C ATOM 1036 O ARG B 9 -7.698 7.556 10.003 1.00 0.00 O ATOM 1037 CB ARG B 9 -8.721 5.035 10.799 1.00 0.00 C ATOM 1038 CG ARG B 9 -8.685 5.575 12.238 1.00 0.00 C ATOM 1039 CD ARG B 9 -7.975 4.602 13.192 1.00 0.00 C ATOM 1040 NE ARG B 9 -6.556 4.402 12.832 1.00 0.00 N ATOM 1041 CZ ARG B 9 -6.027 3.370 12.148 1.00 0.00 C ATOM 1042 NH1 ARG B 9 -6.789 2.402 11.625 1.00 0.00 N ATOM 1043 NH2 ARG B 9 -4.703 3.300 11.984 1.00 0.00 N ATOM 0 H ARG B 9 -10.627 5.000 8.347 1.00 0.00 H new ATOM 0 HA ARG B 9 -10.453 6.160 10.276 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -9.183 4.048 10.802 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -7.699 4.908 10.442 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -8.174 6.538 12.253 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -9.703 5.749 12.587 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -8.039 4.984 14.211 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.490 3.642 13.178 1.00 0.00 H new ATOM 0 HE ARG B 9 -5.905 5.126 13.135 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -7.802 2.433 11.739 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -6.357 1.634 11.112 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -4.102 4.025 12.376 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -4.294 2.522 11.467 1.00 0.00 H new ATOM 1057 N ARG B 10 -9.541 8.195 8.854 1.00 0.00 N ATOM 1058 CA ARG B 10 -9.057 9.468 8.321 1.00 0.00 C ATOM 1059 C ARG B 10 -7.954 9.225 7.272 1.00 0.00 C ATOM 1060 O ARG B 10 -6.767 9.445 7.600 1.00 0.00 O ATOM 1061 CB ARG B 10 -8.665 10.439 9.458 1.00 0.00 C ATOM 1062 CG ARG B 10 -8.453 11.872 8.939 1.00 0.00 C ATOM 1063 CD ARG B 10 -8.026 12.835 10.059 1.00 0.00 C ATOM 1064 NE ARG B 10 -9.038 12.947 11.125 1.00 0.00 N ATOM 1065 CZ ARG B 10 -10.192 13.634 11.066 1.00 0.00 C ATOM 1066 NH1 ARG B 10 -10.536 14.331 9.978 1.00 0.00 N ATOM 1067 NH2 ARG B 10 -11.018 13.623 12.116 1.00 0.00 N ATOM 1068 OXT ARG B 10 -8.323 8.808 6.150 1.00 0.00 O ATOM 0 H ARG B 10 -10.517 8.022 8.615 1.00 0.00 H new ATOM 0 HA ARG B 10 -9.864 9.974 7.791 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -9.445 10.440 10.220 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -7.751 10.087 9.937 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -7.693 11.865 8.158 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -9.375 12.232 8.484 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -7.086 12.491 10.490 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -7.840 13.821 9.634 1.00 0.00 H new ATOM 0 HE ARG B 10 -8.843 12.453 11.996 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -9.917 14.350 9.168 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -11.417 14.844 9.959 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -10.771 13.096 12.954 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -11.896 14.141 12.080 1.00 0.00 H new