USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 0.417 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -51:sc= 1.26 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -0.061 (180deg=-0.289) USER MOD Single : A 17 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 20 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 77:sc= 0.324 USER MOD Single : A 33 HIS : no HE2:sc= -0.0458 X(o=-0.046,f=-0.53) USER MOD Single : A 35 HIS : no HD1:sc= -0.976 K(o=-0.98,f=-4.2!) USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.13) USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= -0.0088 (180deg=-0.147) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= -0.0762 (180deg=-0.425) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.825 -15.436 10.845 1.00 0.00 N ATOM 2 CA GLY A 1 -10.363 -15.414 11.059 1.00 0.00 C ATOM 3 C GLY A 1 -9.738 -14.128 10.565 1.00 0.00 C ATOM 4 O GLY A 1 -9.766 -13.108 11.265 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.214 -16.334 11.197 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.263 -14.644 11.358 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.029 -15.345 9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.150 -15.536 12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.908 -16.260 10.543 1.00 0.00 H new ATOM 10 N SER A 2 -9.178 -14.175 9.350 1.00 0.00 N ATOM 11 CA SER A 2 -8.531 -13.020 8.730 1.00 0.00 C ATOM 12 C SER A 2 -7.363 -12.527 9.588 1.00 0.00 C ATOM 13 O SER A 2 -7.116 -11.322 9.695 1.00 0.00 O ATOM 14 CB SER A 2 -9.555 -11.894 8.497 1.00 0.00 C ATOM 15 OG SER A 2 -8.992 -10.821 7.759 1.00 0.00 O ATOM 0 H SER A 2 -9.162 -15.015 8.772 1.00 0.00 H new ATOM 0 HA SER A 2 -8.131 -13.325 7.763 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.418 -12.291 7.962 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.917 -11.526 9.457 1.00 0.00 H new ATOM 0 HG SER A 2 -8.199 -10.484 8.226 1.00 0.00 H new ATOM 21 N VAL A 3 -6.636 -13.469 10.177 1.00 0.00 N ATOM 22 CA VAL A 3 -5.507 -13.142 11.033 1.00 0.00 C ATOM 23 C VAL A 3 -4.390 -12.488 10.228 1.00 0.00 C ATOM 24 O VAL A 3 -4.035 -11.339 10.472 1.00 0.00 O ATOM 25 CB VAL A 3 -4.963 -14.395 11.762 1.00 0.00 C ATOM 26 CG1 VAL A 3 -3.746 -14.045 12.613 1.00 0.00 C ATOM 27 CG2 VAL A 3 -6.050 -15.019 12.622 1.00 0.00 C ATOM 0 H VAL A 3 -6.811 -14.469 10.075 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.865 -12.438 11.784 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.653 -15.120 11.009 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.383 -14.942 13.115 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.959 -13.642 11.975 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.025 -13.300 13.358 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.653 -15.899 13.128 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.388 -14.295 13.364 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.890 -15.311 11.992 1.00 0.00 H new ATOM 37 N GLU A 4 -3.854 -13.213 9.264 1.00 0.00 N ATOM 38 CA GLU A 4 -2.776 -12.697 8.440 1.00 0.00 C ATOM 39 C GLU A 4 -3.289 -11.659 7.450 1.00 0.00 C ATOM 40 O GLU A 4 -2.761 -10.548 7.389 1.00 0.00 O ATOM 41 CB GLU A 4 -2.079 -13.835 7.700 1.00 0.00 C ATOM 42 CG GLU A 4 -1.489 -14.885 8.617 1.00 0.00 C ATOM 43 CD GLU A 4 -0.936 -16.064 7.860 1.00 0.00 C ATOM 44 OE1 GLU A 4 0.101 -15.904 7.183 1.00 0.00 O ATOM 45 OE2 GLU A 4 -1.533 -17.158 7.944 1.00 0.00 O ATOM 0 H GLU A 4 -4.148 -14.162 9.032 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.055 -12.211 9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.793 -14.311 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.285 -13.420 7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.696 -14.437 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.256 -15.230 9.311 1.00 0.00 H new ATOM 52 N LYS A 5 -4.325 -12.025 6.674 1.00 0.00 N ATOM 53 CA LYS A 5 -4.938 -11.142 5.665 1.00 0.00 C ATOM 54 C LYS A 5 -3.897 -10.509 4.715 1.00 0.00 C ATOM 55 O LYS A 5 -4.157 -9.476 4.100 1.00 0.00 O ATOM 56 CB LYS A 5 -5.778 -10.052 6.355 1.00 0.00 C ATOM 57 CG LYS A 5 -6.723 -9.315 5.415 1.00 0.00 C ATOM 58 CD LYS A 5 -7.488 -8.221 6.128 1.00 0.00 C ATOM 59 CE LYS A 5 -8.385 -7.473 5.160 1.00 0.00 C ATOM 60 NZ LYS A 5 -9.163 -6.412 5.835 1.00 0.00 N ATOM 0 H LYS A 5 -4.762 -12.945 6.729 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.588 -11.762 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.360 -10.508 7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.107 -9.330 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.153 -8.883 4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.426 -10.024 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.089 -8.653 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.789 -7.527 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.778 -7.031 4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.068 -8.175 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.763 -5.925 5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.762 -6.836 6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.512 -5.727 6.270 1.00 0.00 H new ATOM 74 N LEU A 6 -2.734 -11.153 4.581 1.00 0.00 N ATOM 75 CA LEU A 6 -1.646 -10.640 3.733 1.00 0.00 C ATOM 76 C LEU A 6 -1.160 -9.272 4.231 1.00 0.00 C ATOM 77 O LEU A 6 -0.604 -8.481 3.470 1.00 0.00 O ATOM 78 CB LEU A 6 -2.091 -10.543 2.265 1.00 0.00 C ATOM 79 CG LEU A 6 -2.503 -11.860 1.604 1.00 0.00 C ATOM 80 CD1 LEU A 6 -3.023 -11.606 0.204 1.00 0.00 C ATOM 81 CD2 LEU A 6 -1.331 -12.832 1.568 1.00 0.00 C ATOM 0 H LEU A 6 -2.518 -12.033 5.049 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.817 -11.345 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.930 -9.850 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.276 -10.108 1.686 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.301 -12.308 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.312 -12.552 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.889 -10.946 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.242 -11.137 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.644 -13.762 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.512 -12.393 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.997 -13.037 2.585 1.00 0.00 H new ATOM 93 N THR A 7 -1.356 -9.019 5.514 1.00 0.00 N ATOM 94 CA THR A 7 -0.960 -7.842 6.137 1.00 0.00 C ATOM 95 C THR A 7 0.084 -8.265 7.183 1.00 0.00 C ATOM 96 O THR A 7 0.487 -9.433 7.201 1.00 0.00 O ATOM 97 CB THR A 7 -2.182 -7.119 6.800 1.00 0.00 C ATOM 98 OG1 THR A 7 -2.744 -7.927 7.839 1.00 0.00 O ATOM 99 CG2 THR A 7 -3.259 -6.832 5.760 1.00 0.00 C ATOM 0 H THR A 7 -1.816 -9.676 6.144 1.00 0.00 H new ATOM 0 HA THR A 7 -0.543 -7.127 5.428 1.00 0.00 H new ATOM 0 HB THR A 7 -1.824 -6.181 7.225 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.911 -8.830 7.497 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.101 -6.330 6.237 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.849 -6.191 4.979 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.598 -7.769 5.319 1.00 0.00 H new ATOM 107 N ALA A 8 0.526 -7.343 7.990 1.00 0.00 N ATOM 108 CA ALA A 8 1.568 -7.568 9.024 1.00 0.00 C ATOM 109 C ALA A 8 2.966 -7.655 8.407 1.00 0.00 C ATOM 110 O ALA A 8 3.973 -7.456 9.086 1.00 0.00 O ATOM 111 CB ALA A 8 1.264 -8.791 9.891 1.00 0.00 C ATOM 0 H ALA A 8 0.182 -6.383 7.969 1.00 0.00 H new ATOM 0 HA ALA A 8 1.552 -6.698 9.681 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.053 -8.916 10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.309 -8.650 10.397 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.213 -9.680 9.262 1.00 0.00 H new ATOM 117 N ASP A 9 3.013 -7.931 7.111 1.00 0.00 N ATOM 118 CA ASP A 9 4.266 -7.970 6.362 1.00 0.00 C ATOM 119 C ASP A 9 4.898 -6.580 6.365 1.00 0.00 C ATOM 120 O ASP A 9 6.101 -6.425 6.166 1.00 0.00 O ATOM 121 CB ASP A 9 4.029 -8.421 4.910 1.00 0.00 C ATOM 122 CG ASP A 9 3.412 -7.332 4.054 1.00 0.00 C ATOM 123 OD1 ASP A 9 2.203 -7.065 4.199 1.00 0.00 O ATOM 124 OD2 ASP A 9 4.142 -6.731 3.234 1.00 0.00 O ATOM 0 H ASP A 9 2.187 -8.134 6.548 1.00 0.00 H new ATOM 0 HA ASP A 9 4.933 -8.688 6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.977 -8.730 4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.376 -9.294 4.907 1.00 0.00 H new ATOM 129 N ALA A 10 4.065 -5.577 6.608 1.00 0.00 N ATOM 130 CA ALA A 10 4.518 -4.181 6.662 1.00 0.00 C ATOM 131 C ALA A 10 5.213 -3.901 7.984 1.00 0.00 C ATOM 132 O ALA A 10 5.974 -2.945 8.112 1.00 0.00 O ATOM 133 CB ALA A 10 3.356 -3.212 6.451 1.00 0.00 C ATOM 0 H ALA A 10 3.066 -5.699 6.772 1.00 0.00 H new ATOM 0 HA ALA A 10 5.231 -4.027 5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.724 -2.187 6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.904 -3.392 5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.609 -3.364 7.230 1.00 0.00 H new ATOM 139 N GLU A 11 4.982 -4.775 8.948 1.00 0.00 N ATOM 140 CA GLU A 11 5.603 -4.655 10.256 1.00 0.00 C ATOM 141 C GLU A 11 6.953 -5.333 10.180 1.00 0.00 C ATOM 142 O GLU A 11 7.879 -5.037 10.937 1.00 0.00 O ATOM 143 CB GLU A 11 4.739 -5.327 11.330 1.00 0.00 C ATOM 144 CG GLU A 11 3.320 -4.780 11.427 1.00 0.00 C ATOM 145 CD GLU A 11 3.285 -3.320 11.805 1.00 0.00 C ATOM 146 OE1 GLU A 11 3.397 -3.011 13.016 1.00 0.00 O ATOM 147 OE2 GLU A 11 3.142 -2.474 10.904 1.00 0.00 O ATOM 0 H GLU A 11 4.365 -5.581 8.848 1.00 0.00 H new ATOM 0 HA GLU A 11 5.710 -3.605 10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.690 -6.396 11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.227 -5.211 12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.816 -4.916 10.470 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.762 -5.356 12.165 1.00 0.00 H new ATOM 154 N LEU A 12 7.041 -6.246 9.230 1.00 0.00 N ATOM 155 CA LEU A 12 8.258 -6.985 8.957 1.00 0.00 C ATOM 156 C LEU A 12 9.160 -6.114 8.111 1.00 0.00 C ATOM 157 O LEU A 12 10.376 -6.056 8.311 1.00 0.00 O ATOM 158 CB LEU A 12 7.945 -8.287 8.195 1.00 0.00 C ATOM 159 CG LEU A 12 6.759 -9.124 8.706 1.00 0.00 C ATOM 160 CD1 LEU A 12 6.681 -10.445 7.973 1.00 0.00 C ATOM 161 CD2 LEU A 12 6.842 -9.335 10.202 1.00 0.00 C ATOM 0 H LEU A 12 6.262 -6.497 8.621 1.00 0.00 H new ATOM 0 HA LEU A 12 8.743 -7.246 9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.757 -8.033 7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.836 -8.914 8.214 1.00 0.00 H new ATOM 0 HG LEU A 12 5.843 -8.569 8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.836 -11.021 8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.549 -10.262 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.602 -11.005 8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.991 -9.930 10.533 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.767 -9.858 10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.829 -8.369 10.707 1.00 0.00 H new ATOM 173 N GLN A 13 8.535 -5.421 7.169 1.00 0.00 N ATOM 174 CA GLN A 13 9.229 -4.493 6.287 1.00 0.00 C ATOM 175 C GLN A 13 9.796 -3.338 7.094 1.00 0.00 C ATOM 176 O GLN A 13 10.899 -2.859 6.824 1.00 0.00 O ATOM 177 CB GLN A 13 8.277 -3.958 5.211 1.00 0.00 C ATOM 178 CG GLN A 13 8.934 -3.033 4.205 1.00 0.00 C ATOM 179 CD GLN A 13 7.935 -2.450 3.234 1.00 0.00 C ATOM 180 OE1 GLN A 13 7.669 -3.022 2.179 1.00 0.00 O ATOM 181 NE2 GLN A 13 7.373 -1.314 3.584 1.00 0.00 N ATOM 0 H GLN A 13 7.532 -5.486 6.995 1.00 0.00 H new ATOM 0 HA GLN A 13 10.045 -5.025 5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.837 -4.801 4.679 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.459 -3.426 5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.440 -2.225 4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.698 -3.581 3.654 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.623 -0.873 4.469 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.687 -0.874 2.970 1.00 0.00 H new ATOM 190 N ARG A 14 9.052 -2.920 8.117 1.00 0.00 N ATOM 191 CA ARG A 14 9.487 -1.816 8.959 1.00 0.00 C ATOM 192 C ARG A 14 10.635 -2.263 9.843 1.00 0.00 C ATOM 193 O ARG A 14 11.505 -1.480 10.172 1.00 0.00 O ATOM 194 CB ARG A 14 8.336 -1.257 9.822 1.00 0.00 C ATOM 195 CG ARG A 14 8.746 -0.062 10.683 1.00 0.00 C ATOM 196 CD ARG A 14 9.131 1.140 9.829 1.00 0.00 C ATOM 197 NE ARG A 14 9.946 2.108 10.571 1.00 0.00 N ATOM 198 CZ ARG A 14 10.249 3.337 10.141 1.00 0.00 C ATOM 199 NH1 ARG A 14 9.729 3.802 9.011 1.00 0.00 N ATOM 200 NH2 ARG A 14 11.057 4.099 10.853 1.00 0.00 N ATOM 0 H ARG A 14 8.154 -3.327 8.378 1.00 0.00 H new ATOM 0 HA ARG A 14 9.822 -1.012 8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.514 -0.960 9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.960 -2.049 10.469 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.923 0.210 11.344 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.587 -0.342 11.318 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.682 0.799 8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.228 1.630 9.466 1.00 0.00 H new ATOM 0 HE ARG A 14 10.308 1.823 11.481 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.094 3.220 8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.965 4.741 8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.448 3.750 11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.291 5.037 10.528 1.00 0.00 H new ATOM 214 N LEU A 15 10.634 -3.540 10.208 1.00 0.00 N ATOM 215 CA LEU A 15 11.695 -4.110 11.034 1.00 0.00 C ATOM 216 C LEU A 15 13.049 -3.986 10.326 1.00 0.00 C ATOM 217 O LEU A 15 14.066 -3.655 10.945 1.00 0.00 O ATOM 218 CB LEU A 15 11.388 -5.582 11.346 1.00 0.00 C ATOM 219 CG LEU A 15 12.424 -6.326 12.195 1.00 0.00 C ATOM 220 CD1 LEU A 15 12.548 -5.697 13.570 1.00 0.00 C ATOM 221 CD2 LEU A 15 12.060 -7.796 12.310 1.00 0.00 C ATOM 0 H LEU A 15 9.907 -4.204 9.944 1.00 0.00 H new ATOM 0 HA LEU A 15 11.744 -3.556 11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.427 -5.630 11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.273 -6.115 10.402 1.00 0.00 H new ATOM 0 HG LEU A 15 13.391 -6.247 11.699 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.289 -6.242 14.154 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.860 -4.658 13.468 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.584 -5.738 14.077 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.806 -8.309 12.916 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.081 -7.893 12.780 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.031 -8.242 11.316 1.00 0.00 H new ATOM 233 N LYS A 16 13.046 -4.236 9.024 1.00 0.00 N ATOM 234 CA LYS A 16 14.259 -4.139 8.219 1.00 0.00 C ATOM 235 C LYS A 16 14.566 -2.681 7.893 1.00 0.00 C ATOM 236 O LYS A 16 15.726 -2.273 7.827 1.00 0.00 O ATOM 237 CB LYS A 16 14.113 -4.953 6.931 1.00 0.00 C ATOM 238 CG LYS A 16 13.885 -6.434 7.173 1.00 0.00 C ATOM 239 CD LYS A 16 13.651 -7.184 5.874 1.00 0.00 C ATOM 240 CE LYS A 16 13.464 -8.676 6.120 1.00 0.00 C ATOM 241 NZ LYS A 16 12.336 -8.951 7.050 1.00 0.00 N ATOM 0 H LYS A 16 12.215 -4.509 8.500 1.00 0.00 H new ATOM 0 HA LYS A 16 15.089 -4.548 8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.280 -4.555 6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.011 -4.826 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.749 -6.856 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.026 -6.568 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.769 -6.783 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.496 -7.027 5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.282 -9.180 5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.383 -9.093 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.112 -9.966 7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.606 -8.672 8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.501 -8.407 6.753 1.00 0.00 H new ATOM 255 N ASN A 17 13.511 -1.893 7.730 1.00 0.00 N ATOM 256 CA ASN A 17 13.660 -0.470 7.414 1.00 0.00 C ATOM 257 C ASN A 17 14.221 0.268 8.615 1.00 0.00 C ATOM 258 O ASN A 17 15.109 1.103 8.485 1.00 0.00 O ATOM 259 CB ASN A 17 12.318 0.159 6.992 1.00 0.00 C ATOM 260 CG ASN A 17 12.438 1.645 6.682 1.00 0.00 C ATOM 261 OD1 ASN A 17 12.729 2.032 5.555 1.00 0.00 O ATOM 262 ND2 ASN A 17 12.205 2.480 7.678 1.00 0.00 N ATOM 0 H ASN A 17 12.545 -2.209 7.810 1.00 0.00 H new ATOM 0 HA ASN A 17 14.350 -0.382 6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.938 -0.362 6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.588 0.016 7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.264 3.487 7.524 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.966 2.118 8.601 1.00 0.00 H new ATOM 269 N GLU A 18 13.704 -0.068 9.787 1.00 0.00 N ATOM 270 CA GLU A 18 14.136 0.535 11.036 1.00 0.00 C ATOM 271 C GLU A 18 15.614 0.249 11.261 1.00 0.00 C ATOM 272 O GLU A 18 16.355 1.100 11.751 1.00 0.00 O ATOM 273 CB GLU A 18 13.306 -0.021 12.196 1.00 0.00 C ATOM 274 CG GLU A 18 13.389 0.794 13.472 1.00 0.00 C ATOM 275 CD GLU A 18 12.852 2.198 13.298 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.701 2.349 12.838 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.571 3.160 13.639 1.00 0.00 O ATOM 0 H GLU A 18 12.971 -0.769 9.898 1.00 0.00 H new ATOM 0 HA GLU A 18 13.989 1.614 10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.263 -0.081 11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.635 -1.039 12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.829 0.289 14.259 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.427 0.843 13.801 1.00 0.00 H new ATOM 284 N ARG A 19 16.043 -0.953 10.881 1.00 0.00 N ATOM 285 CA ARG A 19 17.447 -1.325 11.005 1.00 0.00 C ATOM 286 C ARG A 19 18.289 -0.468 10.068 1.00 0.00 C ATOM 287 O ARG A 19 19.384 -0.035 10.422 1.00 0.00 O ATOM 288 CB ARG A 19 17.672 -2.817 10.710 1.00 0.00 C ATOM 289 CG ARG A 19 19.098 -3.270 10.974 1.00 0.00 C ATOM 290 CD ARG A 19 19.280 -4.751 10.701 1.00 0.00 C ATOM 291 NE ARG A 19 20.636 -5.193 11.020 1.00 0.00 N ATOM 292 CZ ARG A 19 21.089 -6.435 10.852 1.00 0.00 C ATOM 293 NH1 ARG A 19 20.296 -7.379 10.361 1.00 0.00 N ATOM 294 NH2 ARG A 19 22.340 -6.731 11.180 1.00 0.00 N ATOM 0 H ARG A 19 15.443 -1.679 10.488 1.00 0.00 H new ATOM 0 HA ARG A 19 17.752 -1.148 12.036 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.990 -3.409 11.321 1.00 0.00 H new ATOM 0 HB3 ARG A 19 17.421 -3.017 9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.783 -2.698 10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.361 -3.057 12.010 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.562 -5.321 11.291 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.066 -4.957 9.652 1.00 0.00 H new ATOM 0 HE ARG A 19 21.282 -4.501 11.399 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.333 -7.156 10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.650 -8.327 10.235 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.952 -6.009 11.560 1.00 0.00 H new ATOM 0 HH22 ARG A 19 22.690 -7.681 11.053 1.00 0.00 H new ATOM 308 N HIS A 20 17.762 -0.220 8.869 1.00 0.00 N ATOM 309 CA HIS A 20 18.437 0.650 7.895 1.00 0.00 C ATOM 310 C HIS A 20 18.626 2.044 8.478 1.00 0.00 C ATOM 311 O HIS A 20 19.684 2.642 8.335 1.00 0.00 O ATOM 312 CB HIS A 20 17.642 0.742 6.571 1.00 0.00 C ATOM 313 CG HIS A 20 18.244 1.697 5.570 1.00 0.00 C ATOM 314 ND1 HIS A 20 17.883 3.028 5.482 1.00 0.00 N ATOM 315 CD2 HIS A 20 19.192 1.505 4.622 1.00 0.00 C ATOM 316 CE1 HIS A 20 18.579 3.610 4.527 1.00 0.00 C ATOM 317 NE2 HIS A 20 19.382 2.709 3.989 1.00 0.00 N ATOM 0 H HIS A 20 16.874 -0.605 8.546 1.00 0.00 H new ATOM 0 HA HIS A 20 19.411 0.211 7.678 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.582 -0.250 6.123 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.621 1.055 6.791 1.00 0.00 H new ATOM 0 HD1 HIS A 20 17.185 3.489 6.066 1.00 0.00 H new ATOM 0 HD2 HIS A 20 19.703 0.579 4.405 1.00 0.00 H new ATOM 0 HE1 HIS A 20 18.506 4.647 4.234 1.00 0.00 H new ATOM 325 N GLU A 21 17.596 2.541 9.151 1.00 0.00 N ATOM 326 CA GLU A 21 17.639 3.870 9.749 1.00 0.00 C ATOM 327 C GLU A 21 18.609 3.879 10.927 1.00 0.00 C ATOM 328 O GLU A 21 19.335 4.850 11.145 1.00 0.00 O ATOM 329 CB GLU A 21 16.244 4.292 10.212 1.00 0.00 C ATOM 330 CG GLU A 21 15.167 4.141 9.146 1.00 0.00 C ATOM 331 CD GLU A 21 15.455 4.937 7.889 1.00 0.00 C ATOM 332 OE1 GLU A 21 16.158 4.416 6.988 1.00 0.00 O ATOM 333 OE2 GLU A 21 14.965 6.083 7.782 1.00 0.00 O ATOM 0 H GLU A 21 16.718 2.042 9.297 1.00 0.00 H new ATOM 0 HA GLU A 21 17.985 4.581 8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.966 3.698 11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.278 5.333 10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.068 3.087 8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.210 4.459 9.558 1.00 0.00 H new ATOM 340 N GLU A 22 18.615 2.786 11.675 1.00 0.00 N ATOM 341 CA GLU A 22 19.528 2.634 12.804 1.00 0.00 C ATOM 342 C GLU A 22 20.972 2.632 12.307 1.00 0.00 C ATOM 343 O GLU A 22 21.848 3.278 12.893 1.00 0.00 O ATOM 344 CB GLU A 22 19.223 1.339 13.582 1.00 0.00 C ATOM 345 CG GLU A 22 20.055 1.166 14.836 1.00 0.00 C ATOM 346 CD GLU A 22 19.635 -0.037 15.646 1.00 0.00 C ATOM 347 OE1 GLU A 22 20.396 -1.028 15.700 1.00 0.00 O ATOM 348 OE2 GLU A 22 18.540 0.004 16.244 1.00 0.00 O ATOM 0 H GLU A 22 17.998 1.988 11.522 1.00 0.00 H new ATOM 0 HA GLU A 22 19.388 3.476 13.482 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.168 1.330 13.854 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.390 0.485 12.926 1.00 0.00 H new ATOM 0 HG2 GLU A 22 21.105 1.066 14.561 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.970 2.062 15.451 1.00 0.00 H new ATOM 355 N ALA A 23 21.208 1.921 11.209 1.00 0.00 N ATOM 356 CA ALA A 23 22.536 1.854 10.596 1.00 0.00 C ATOM 357 C ALA A 23 22.881 3.179 9.930 1.00 0.00 C ATOM 358 O ALA A 23 24.053 3.525 9.775 1.00 0.00 O ATOM 359 CB ALA A 23 22.616 0.713 9.581 1.00 0.00 C ATOM 0 H ALA A 23 20.495 1.379 10.721 1.00 0.00 H new ATOM 0 HA ALA A 23 23.262 1.658 11.385 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.613 0.686 9.141 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.415 -0.234 10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.877 0.872 8.796 1.00 0.00 H new ATOM 365 N GLU A 24 21.849 3.911 9.543 1.00 0.00 N ATOM 366 CA GLU A 24 22.015 5.222 8.921 1.00 0.00 C ATOM 367 C GLU A 24 22.670 6.183 9.911 1.00 0.00 C ATOM 368 O GLU A 24 23.688 6.798 9.610 1.00 0.00 O ATOM 369 CB GLU A 24 20.657 5.772 8.426 1.00 0.00 C ATOM 370 CG GLU A 24 20.723 7.168 7.846 1.00 0.00 C ATOM 371 CD GLU A 24 19.347 7.729 7.565 1.00 0.00 C ATOM 372 OE1 GLU A 24 18.852 7.566 6.434 1.00 0.00 O ATOM 373 OE2 GLU A 24 18.758 8.345 8.475 1.00 0.00 O ATOM 0 H GLU A 24 20.877 3.619 9.648 1.00 0.00 H new ATOM 0 HA GLU A 24 22.664 5.121 8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.259 5.096 7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.953 5.770 9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 24 21.248 7.825 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 24 21.303 7.150 6.923 1.00 0.00 H new ATOM 380 N LEU A 25 22.079 6.298 11.094 1.00 0.00 N ATOM 381 CA LEU A 25 22.646 7.125 12.162 1.00 0.00 C ATOM 382 C LEU A 25 24.037 6.621 12.537 1.00 0.00 C ATOM 383 O LEU A 25 24.960 7.405 12.751 1.00 0.00 O ATOM 384 CB LEU A 25 21.733 7.131 13.401 1.00 0.00 C ATOM 385 CG LEU A 25 20.645 8.222 13.453 1.00 0.00 C ATOM 386 CD1 LEU A 25 19.648 8.084 12.311 1.00 0.00 C ATOM 387 CD2 LEU A 25 19.926 8.187 14.793 1.00 0.00 C ATOM 0 H LEU A 25 21.207 5.831 11.342 1.00 0.00 H new ATOM 0 HA LEU A 25 22.725 8.148 11.793 1.00 0.00 H new ATOM 0 HB2 LEU A 25 21.244 6.159 13.468 1.00 0.00 H new ATOM 0 HB3 LEU A 25 22.361 7.234 14.286 1.00 0.00 H new ATOM 0 HG LEU A 25 21.140 9.186 13.339 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.899 8.872 12.385 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.171 8.169 11.359 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.159 7.112 12.370 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.161 8.963 14.816 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.459 7.212 14.930 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.643 8.361 15.595 1.00 0.00 H new ATOM 399 N GLU A 26 24.165 5.305 12.603 1.00 0.00 N ATOM 400 CA GLU A 26 25.432 4.654 12.928 1.00 0.00 C ATOM 401 C GLU A 26 26.557 5.114 11.982 1.00 0.00 C ATOM 402 O GLU A 26 27.646 5.506 12.433 1.00 0.00 O ATOM 403 CB GLU A 26 25.283 3.137 12.861 1.00 0.00 C ATOM 404 CG GLU A 26 26.517 2.380 13.310 1.00 0.00 C ATOM 405 CD GLU A 26 26.378 0.894 13.121 1.00 0.00 C ATOM 406 OE1 GLU A 26 25.773 0.232 13.992 1.00 0.00 O ATOM 407 OE2 GLU A 26 26.863 0.376 12.094 1.00 0.00 O ATOM 0 H GLU A 26 23.397 4.656 12.434 1.00 0.00 H new ATOM 0 HA GLU A 26 25.702 4.942 13.944 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.438 2.837 13.481 1.00 0.00 H new ATOM 0 HB3 GLU A 26 25.045 2.850 11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 26 27.382 2.735 12.750 1.00 0.00 H new ATOM 0 HG3 GLU A 26 26.708 2.594 14.362 1.00 0.00 H new ATOM 414 N ARG A 27 26.294 5.072 10.678 1.00 0.00 N ATOM 415 CA ARG A 27 27.287 5.491 9.694 1.00 0.00 C ATOM 416 C ARG A 27 27.407 7.011 9.652 1.00 0.00 C ATOM 417 O ARG A 27 28.484 7.548 9.389 1.00 0.00 O ATOM 418 CB ARG A 27 26.970 4.931 8.294 1.00 0.00 C ATOM 419 CG ARG A 27 25.652 5.406 7.706 1.00 0.00 C ATOM 420 CD ARG A 27 25.396 4.790 6.341 1.00 0.00 C ATOM 421 NE ARG A 27 25.312 3.327 6.398 1.00 0.00 N ATOM 422 CZ ARG A 27 25.214 2.537 5.322 1.00 0.00 C ATOM 423 NH1 ARG A 27 25.181 3.067 4.102 1.00 0.00 N ATOM 424 NH2 ARG A 27 25.150 1.218 5.469 1.00 0.00 N ATOM 0 H ARG A 27 25.409 4.755 10.281 1.00 0.00 H new ATOM 0 HA ARG A 27 28.247 5.080 10.005 1.00 0.00 H new ATOM 0 HB2 ARG A 27 27.776 5.208 7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 27 26.958 3.842 8.347 1.00 0.00 H new ATOM 0 HG2 ARG A 27 24.837 5.147 8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 27 25.662 6.493 7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 27 24.468 5.189 5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 27 26.195 5.080 5.658 1.00 0.00 H new ATOM 0 HE ARG A 27 25.329 2.883 7.316 1.00 0.00 H new ATOM 0 HH11 ARG A 27 25.230 4.079 3.984 1.00 0.00 H new ATOM 0 HH12 ARG A 27 25.106 2.461 3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 27 25.176 0.807 6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 27 25.075 0.616 4.649 1.00 0.00 H new ATOM 438 N LEU A 28 26.301 7.700 9.926 1.00 0.00 N ATOM 439 CA LEU A 28 26.292 9.165 9.937 1.00 0.00 C ATOM 440 C LEU A 28 27.224 9.690 11.021 1.00 0.00 C ATOM 441 O LEU A 28 28.005 10.605 10.782 1.00 0.00 O ATOM 442 CB LEU A 28 24.869 9.723 10.141 1.00 0.00 C ATOM 443 CG LEU A 28 24.735 11.248 10.072 1.00 0.00 C ATOM 444 CD1 LEU A 28 25.148 11.767 8.701 1.00 0.00 C ATOM 445 CD2 LEU A 28 23.310 11.672 10.395 1.00 0.00 C ATOM 0 H LEU A 28 25.401 7.271 10.143 1.00 0.00 H new ATOM 0 HA LEU A 28 26.646 9.506 8.964 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.216 9.285 9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 28 24.504 9.388 11.112 1.00 0.00 H new ATOM 0 HG LEU A 28 25.403 11.682 10.815 1.00 0.00 H new ATOM 0 HD11 LEU A 28 25.044 12.852 8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 28 26.186 11.497 8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 28 24.509 11.324 7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 28 23.233 12.758 10.341 1.00 0.00 H new ATOM 0 HD22 LEU A 28 22.625 11.223 9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.050 11.339 11.400 1.00 0.00 H new ATOM 457 N LYS A 29 27.146 9.092 12.211 1.00 0.00 N ATOM 458 CA LYS A 29 28.024 9.476 13.315 1.00 0.00 C ATOM 459 C LYS A 29 29.478 9.320 12.910 1.00 0.00 C ATOM 460 O LYS A 29 30.315 10.175 13.208 1.00 0.00 O ATOM 461 CB LYS A 29 27.751 8.636 14.566 1.00 0.00 C ATOM 462 CG LYS A 29 26.406 8.891 15.218 1.00 0.00 C ATOM 463 CD LYS A 29 26.249 8.054 16.475 1.00 0.00 C ATOM 464 CE LYS A 29 24.949 8.363 17.196 1.00 0.00 C ATOM 465 NZ LYS A 29 24.801 7.551 18.430 1.00 0.00 N ATOM 0 H LYS A 29 26.488 8.345 12.433 1.00 0.00 H new ATOM 0 HA LYS A 29 27.819 10.521 13.549 1.00 0.00 H new ATOM 0 HB2 LYS A 29 27.817 7.581 14.300 1.00 0.00 H new ATOM 0 HB3 LYS A 29 28.536 8.830 15.296 1.00 0.00 H new ATOM 0 HG2 LYS A 29 26.311 9.948 15.466 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.606 8.655 14.516 1.00 0.00 H new ATOM 0 HD2 LYS A 29 26.278 6.996 16.214 1.00 0.00 H new ATOM 0 HD3 LYS A 29 27.089 8.240 17.144 1.00 0.00 H new ATOM 0 HE2 LYS A 29 24.917 9.422 17.451 1.00 0.00 H new ATOM 0 HE3 LYS A 29 24.108 8.170 16.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.902 7.788 18.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 24.807 6.541 18.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 25.590 7.754 19.076 1.00 0.00 H new ATOM 479 N SER A 30 29.775 8.223 12.223 1.00 0.00 N ATOM 480 CA SER A 30 31.118 7.953 11.754 1.00 0.00 C ATOM 481 C SER A 30 31.592 9.062 10.811 1.00 0.00 C ATOM 482 O SER A 30 32.735 9.510 10.894 1.00 0.00 O ATOM 483 CB SER A 30 31.160 6.595 11.049 1.00 0.00 C ATOM 484 OG SER A 30 30.643 5.567 11.890 1.00 0.00 O ATOM 0 H SER A 30 29.094 7.504 11.980 1.00 0.00 H new ATOM 0 HA SER A 30 31.791 7.926 12.611 1.00 0.00 H new ATOM 0 HB2 SER A 30 30.580 6.642 10.127 1.00 0.00 H new ATOM 0 HB3 SER A 30 32.186 6.358 10.768 1.00 0.00 H new ATOM 0 HG SER A 30 29.664 5.614 11.900 1.00 0.00 H new ATOM 490 N GLU A 31 30.693 9.509 9.933 1.00 0.00 N ATOM 491 CA GLU A 31 30.991 10.579 8.989 1.00 0.00 C ATOM 492 C GLU A 31 31.241 11.884 9.743 1.00 0.00 C ATOM 493 O GLU A 31 32.280 12.525 9.564 1.00 0.00 O ATOM 494 CB GLU A 31 29.827 10.726 7.981 1.00 0.00 C ATOM 495 CG GLU A 31 30.067 11.712 6.828 1.00 0.00 C ATOM 496 CD GLU A 31 29.880 13.167 7.226 1.00 0.00 C ATOM 497 OE1 GLU A 31 30.746 13.997 6.888 1.00 0.00 O ATOM 498 OE2 GLU A 31 28.877 13.481 7.885 1.00 0.00 O ATOM 0 H GLU A 31 29.745 9.140 9.859 1.00 0.00 H new ATOM 0 HA GLU A 31 31.895 10.334 8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 31 29.611 9.745 7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 31 28.937 11.041 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 31 31.079 11.575 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 31 29.385 11.476 6.011 1.00 0.00 H new ATOM 505 N ARG A 32 30.288 12.258 10.600 1.00 0.00 N ATOM 506 CA ARG A 32 30.394 13.483 11.392 1.00 0.00 C ATOM 507 C ARG A 32 31.711 13.536 12.168 1.00 0.00 C ATOM 508 O ARG A 32 32.422 14.534 12.129 1.00 0.00 O ATOM 509 CB ARG A 32 29.214 13.621 12.373 1.00 0.00 C ATOM 510 CG ARG A 32 27.824 13.529 11.735 1.00 0.00 C ATOM 511 CD ARG A 32 27.702 14.394 10.490 1.00 0.00 C ATOM 512 NE ARG A 32 28.104 15.781 10.727 1.00 0.00 N ATOM 513 CZ ARG A 32 28.928 16.466 9.928 1.00 0.00 C ATOM 514 NH1 ARG A 32 29.413 15.900 8.824 1.00 0.00 N ATOM 515 NH2 ARG A 32 29.256 17.713 10.230 1.00 0.00 N ATOM 0 H ARG A 32 29.432 11.727 10.763 1.00 0.00 H new ATOM 0 HA ARG A 32 30.368 14.315 10.689 1.00 0.00 H new ATOM 0 HB2 ARG A 32 29.300 12.844 13.132 1.00 0.00 H new ATOM 0 HB3 ARG A 32 29.298 14.579 12.886 1.00 0.00 H new ATOM 0 HG2 ARG A 32 27.614 12.491 11.476 1.00 0.00 H new ATOM 0 HG3 ARG A 32 27.072 13.835 12.462 1.00 0.00 H new ATOM 0 HD2 ARG A 32 28.318 13.971 9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 32 26.671 14.374 10.137 1.00 0.00 H new ATOM 0 HE ARG A 32 27.733 16.253 11.551 1.00 0.00 H new ATOM 0 HH11 ARG A 32 29.156 14.942 8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 32 30.042 16.425 8.216 1.00 0.00 H new ATOM 0 HH21 ARG A 32 28.880 18.150 11.072 1.00 0.00 H new ATOM 0 HH22 ARG A 32 29.885 18.237 9.621 1.00 0.00 H new ATOM 529 N HIS A 33 32.040 12.446 12.856 1.00 0.00 N ATOM 530 CA HIS A 33 33.264 12.387 13.660 1.00 0.00 C ATOM 531 C HIS A 33 34.519 12.383 12.792 1.00 0.00 C ATOM 532 O HIS A 33 35.552 12.917 13.188 1.00 0.00 O ATOM 533 CB HIS A 33 33.261 11.166 14.582 1.00 0.00 C ATOM 534 CG HIS A 33 32.276 11.259 15.703 1.00 0.00 C ATOM 535 ND1 HIS A 33 31.288 10.327 15.920 1.00 0.00 N ATOM 536 CD2 HIS A 33 32.135 12.185 16.679 1.00 0.00 C ATOM 537 CE1 HIS A 33 30.581 10.669 16.974 1.00 0.00 C ATOM 538 NE2 HIS A 33 31.074 11.795 17.459 1.00 0.00 N ATOM 0 H HIS A 33 31.481 11.593 12.875 1.00 0.00 H new ATOM 0 HA HIS A 33 33.281 13.289 14.271 1.00 0.00 H new ATOM 0 HB2 HIS A 33 33.042 10.277 13.991 1.00 0.00 H new ATOM 0 HB3 HIS A 33 34.260 11.034 14.998 1.00 0.00 H new ATOM 0 HD1 HIS A 33 31.128 9.497 15.350 1.00 0.00 H new ATOM 0 HD2 HIS A 33 32.743 13.066 16.819 1.00 0.00 H new ATOM 0 HE1 HIS A 33 29.740 10.123 17.375 1.00 0.00 H new ATOM 546 N ASP A 34 34.424 11.797 11.611 1.00 0.00 N ATOM 547 CA ASP A 34 35.579 11.720 10.710 1.00 0.00 C ATOM 548 C ASP A 34 35.840 13.065 10.048 1.00 0.00 C ATOM 549 O ASP A 34 36.968 13.378 9.666 1.00 0.00 O ATOM 550 CB ASP A 34 35.390 10.634 9.644 1.00 0.00 C ATOM 551 CG ASP A 34 36.602 10.488 8.756 1.00 0.00 C ATOM 552 OD1 ASP A 34 37.647 10.000 9.245 1.00 0.00 O ATOM 553 OD2 ASP A 34 36.518 10.850 7.565 1.00 0.00 O ATOM 0 H ASP A 34 33.572 11.369 11.249 1.00 0.00 H new ATOM 0 HA ASP A 34 36.445 11.452 11.315 1.00 0.00 H new ATOM 0 HB2 ASP A 34 35.182 9.681 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 34 34.521 10.875 9.032 1.00 0.00 H new ATOM 558 N HIS A 35 34.807 13.866 9.946 1.00 0.00 N ATOM 559 CA HIS A 35 34.933 15.172 9.329 1.00 0.00 C ATOM 560 C HIS A 35 35.202 16.234 10.364 1.00 0.00 C ATOM 561 O HIS A 35 35.850 17.235 10.077 1.00 0.00 O ATOM 562 CB HIS A 35 33.731 15.516 8.457 1.00 0.00 C ATOM 563 CG HIS A 35 33.805 14.857 7.121 1.00 0.00 C ATOM 564 ND1 HIS A 35 34.106 15.540 5.965 1.00 0.00 N ATOM 565 CD2 HIS A 35 33.654 13.564 6.762 1.00 0.00 C ATOM 566 CE1 HIS A 35 34.138 14.696 4.956 1.00 0.00 C ATOM 567 NE2 HIS A 35 33.868 13.491 5.411 1.00 0.00 N ATOM 0 H HIS A 35 33.870 13.641 10.280 1.00 0.00 H new ATOM 0 HA HIS A 35 35.794 15.135 8.662 1.00 0.00 H new ATOM 0 HB2 HIS A 35 32.816 15.209 8.963 1.00 0.00 H new ATOM 0 HB3 HIS A 35 33.675 16.597 8.326 1.00 0.00 H new ATOM 0 HD2 HIS A 35 33.410 12.741 7.418 1.00 0.00 H new ATOM 0 HE1 HIS A 35 34.350 14.949 3.928 1.00 0.00 H new ATOM 0 HE2 HIS A 35 33.825 12.641 4.849 1.00 0.00 H new ATOM 575 N ASP A 36 34.725 15.995 11.586 1.00 0.00 N ATOM 576 CA ASP A 36 34.966 16.914 12.712 1.00 0.00 C ATOM 577 C ASP A 36 36.464 17.078 12.940 1.00 0.00 C ATOM 578 O ASP A 36 36.922 18.100 13.451 1.00 0.00 O ATOM 579 CB ASP A 36 34.285 16.407 14.001 1.00 0.00 C ATOM 580 CG ASP A 36 34.526 17.316 15.191 1.00 0.00 C ATOM 581 OD1 ASP A 36 33.898 18.399 15.264 1.00 0.00 O ATOM 582 OD2 ASP A 36 35.335 16.948 16.070 1.00 0.00 O ATOM 0 H ASP A 36 34.169 15.175 11.827 1.00 0.00 H new ATOM 0 HA ASP A 36 34.533 17.882 12.459 1.00 0.00 H new ATOM 0 HB2 ASP A 36 33.212 16.319 13.829 1.00 0.00 H new ATOM 0 HB3 ASP A 36 34.654 15.408 14.232 1.00 0.00 H new ATOM 587 N LYS A 37 37.222 16.052 12.537 1.00 0.00 N ATOM 588 CA LYS A 37 38.679 16.072 12.614 1.00 0.00 C ATOM 589 C LYS A 37 39.231 17.277 11.855 1.00 0.00 C ATOM 590 O LYS A 37 40.213 17.894 12.271 1.00 0.00 O ATOM 591 CB LYS A 37 39.255 14.799 11.996 1.00 0.00 C ATOM 592 CG LYS A 37 38.799 13.506 12.646 1.00 0.00 C ATOM 593 CD LYS A 37 39.249 12.315 11.819 1.00 0.00 C ATOM 594 CE LYS A 37 38.829 10.996 12.436 1.00 0.00 C ATOM 595 NZ LYS A 37 39.115 9.855 11.528 1.00 0.00 N ATOM 0 H LYS A 37 36.840 15.189 12.150 1.00 0.00 H new ATOM 0 HA LYS A 37 38.965 16.136 13.664 1.00 0.00 H new ATOM 0 HB2 LYS A 37 38.985 14.772 10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 37 40.343 14.849 12.046 1.00 0.00 H new ATOM 0 HG2 LYS A 37 39.208 13.433 13.654 1.00 0.00 H new ATOM 0 HG3 LYS A 37 37.713 13.502 12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 37 38.831 12.394 10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 37 40.334 12.336 11.715 1.00 0.00 H new ATOM 0 HE2 LYS A 37 39.354 10.851 13.380 1.00 0.00 H new ATOM 0 HE3 LYS A 37 37.763 11.023 12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 39.042 8.963 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 38.428 9.852 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 40.076 9.951 11.142 1.00 0.00 H new ATOM 609 N LYS A 38 38.590 17.605 10.744 1.00 0.00 N ATOM 610 CA LYS A 38 39.020 18.715 9.917 1.00 0.00 C ATOM 611 C LYS A 38 38.151 19.946 10.174 1.00 0.00 C ATOM 612 O LYS A 38 38.660 20.997 10.560 1.00 0.00 O ATOM 613 CB LYS A 38 38.973 18.338 8.421 1.00 0.00 C ATOM 614 CG LYS A 38 39.751 17.082 8.061 1.00 0.00 C ATOM 615 CD LYS A 38 39.631 16.779 6.574 1.00 0.00 C ATOM 616 CE LYS A 38 40.350 15.492 6.197 1.00 0.00 C ATOM 617 NZ LYS A 38 39.739 14.301 6.831 1.00 0.00 N ATOM 0 H LYS A 38 37.767 17.114 10.395 1.00 0.00 H new ATOM 0 HA LYS A 38 40.051 18.951 10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 38 37.932 18.202 8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.363 19.172 7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 38 40.800 17.210 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 38 39.376 16.238 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 38 38.578 16.699 6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 38 40.045 17.608 6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 38 40.333 15.373 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.396 15.562 6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 40.124 13.439 6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 39.955 14.300 7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 38.708 14.327 6.696 1.00 0.00 H new ATOM 631 N GLU A 39 36.836 19.789 9.991 1.00 0.00 N ATOM 632 CA GLU A 39 35.875 20.878 10.126 1.00 0.00 C ATOM 633 C GLU A 39 34.492 20.366 9.731 1.00 0.00 C ATOM 634 O GLU A 39 34.376 19.444 8.920 1.00 0.00 O ATOM 635 CB GLU A 39 36.271 22.056 9.215 1.00 0.00 C ATOM 636 CG GLU A 39 35.382 23.284 9.343 1.00 0.00 C ATOM 637 CD GLU A 39 35.799 24.391 8.406 1.00 0.00 C ATOM 638 OE1 GLU A 39 36.612 25.248 8.810 1.00 0.00 O ATOM 639 OE2 GLU A 39 35.327 24.411 7.252 1.00 0.00 O ATOM 0 H GLU A 39 36.410 18.896 9.744 1.00 0.00 H new ATOM 0 HA GLU A 39 35.864 21.226 11.159 1.00 0.00 H new ATOM 0 HB2 GLU A 39 37.298 22.343 9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 39 36.254 21.718 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.349 23.005 9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 39 35.414 23.648 10.370 1.00 0.00 H new ATOM 646 N ALA A 40 33.453 20.946 10.305 1.00 0.00 N ATOM 647 CA ALA A 40 32.091 20.540 9.973 1.00 0.00 C ATOM 648 C ALA A 40 31.656 21.175 8.639 1.00 0.00 C ATOM 649 O ALA A 40 32.437 21.903 8.023 1.00 0.00 O ATOM 650 CB ALA A 40 31.123 20.909 11.094 1.00 0.00 C ATOM 0 H ALA A 40 33.520 21.692 10.997 1.00 0.00 H new ATOM 0 HA ALA A 40 32.072 19.456 9.862 1.00 0.00 H new ATOM 0 HB1 ALA A 40 30.115 20.596 10.822 1.00 0.00 H new ATOM 0 HB2 ALA A 40 31.423 20.407 12.014 1.00 0.00 H new ATOM 0 HB3 ALA A 40 31.139 21.988 11.248 1.00 0.00 H new ATOM 656 N GLU A 41 30.404 20.905 8.201 1.00 0.00 N ATOM 657 CA GLU A 41 29.895 21.411 6.933 1.00 0.00 C ATOM 658 C GLU A 41 30.749 20.927 5.777 1.00 0.00 C ATOM 659 O GLU A 41 31.685 21.602 5.332 1.00 0.00 O ATOM 660 CB GLU A 41 29.769 22.934 6.938 1.00 0.00 C ATOM 661 CG GLU A 41 28.782 23.450 7.969 1.00 0.00 C ATOM 662 CD GLU A 41 28.465 24.909 7.788 1.00 0.00 C ATOM 663 OE1 GLU A 41 27.483 25.224 7.091 1.00 0.00 O ATOM 664 OE2 GLU A 41 29.196 25.752 8.338 1.00 0.00 O ATOM 0 H GLU A 41 29.736 20.336 8.720 1.00 0.00 H new ATOM 0 HA GLU A 41 28.890 21.011 6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 41 30.748 23.372 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 41 29.459 23.270 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.860 22.871 7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 41 29.190 23.292 8.967 1.00 0.00 H new ATOM 671 N ARG A 42 30.423 19.748 5.308 1.00 0.00 N ATOM 672 CA ARG A 42 31.123 19.106 4.279 1.00 0.00 C ATOM 673 C ARG A 42 30.139 18.386 3.404 1.00 0.00 C ATOM 674 O ARG A 42 29.142 17.832 3.872 1.00 0.00 O ATOM 675 CB ARG A 42 32.156 18.111 4.838 1.00 0.00 C ATOM 676 CG ARG A 42 33.378 18.757 5.486 1.00 0.00 C ATOM 677 CD ARG A 42 34.101 19.669 4.509 1.00 0.00 C ATOM 678 NE ARG A 42 35.405 20.106 5.005 1.00 0.00 N ATOM 679 CZ ARG A 42 35.634 21.273 5.614 1.00 0.00 C ATOM 680 NH1 ARG A 42 34.624 22.083 5.928 1.00 0.00 N ATOM 681 NH2 ARG A 42 36.877 21.619 5.925 1.00 0.00 N ATOM 0 H ARG A 42 29.632 19.209 5.660 1.00 0.00 H new ATOM 0 HA ARG A 42 31.666 19.854 3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.665 17.474 5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.491 17.463 4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.069 19.329 6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.060 17.982 5.836 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.234 19.147 3.561 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.482 20.543 4.308 1.00 0.00 H new ATOM 0 HE ARG A 42 36.196 19.475 4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.666 21.814 5.704 1.00 0.00 H new ATOM 0 HH12 ARG A 42 34.809 22.972 6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 42 37.652 20.995 5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.058 22.509 6.390 1.00 0.00 H new ATOM 695 N LYS A 43 30.423 18.429 2.160 1.00 0.00 N ATOM 696 CA LYS A 43 29.638 17.781 1.094 1.00 0.00 C ATOM 697 C LYS A 43 29.429 16.283 1.336 1.00 0.00 C ATOM 698 O LYS A 43 28.621 15.654 0.656 1.00 0.00 O ATOM 699 CB LYS A 43 30.306 17.989 -0.268 1.00 0.00 C ATOM 700 CG LYS A 43 30.325 19.433 -0.740 1.00 0.00 C ATOM 701 CD LYS A 43 28.918 19.967 -0.957 1.00 0.00 C ATOM 702 CE LYS A 43 28.942 21.365 -1.551 1.00 0.00 C ATOM 703 NZ LYS A 43 29.655 21.398 -2.855 1.00 0.00 N ATOM 0 H LYS A 43 31.237 18.930 1.804 1.00 0.00 H new ATOM 0 HA LYS A 43 28.657 18.255 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 43 31.331 17.622 -0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 43 29.787 17.383 -1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.840 20.051 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 43 30.890 19.506 -1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 43 28.371 19.297 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 43 28.382 19.982 -0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 43 27.920 21.720 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 43 29.427 22.048 -0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.385 22.256 -3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 30.682 21.402 -2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 29.398 20.559 -3.413 1.00 0.00 H new ATOM 717 N ALA A 44 30.152 15.721 2.299 1.00 0.00 N ATOM 718 CA ALA A 44 30.015 14.300 2.624 1.00 0.00 C ATOM 719 C ALA A 44 28.635 14.028 3.203 1.00 0.00 C ATOM 720 O ALA A 44 28.167 12.897 3.219 1.00 0.00 O ATOM 721 CB ALA A 44 31.096 13.845 3.591 1.00 0.00 C ATOM 0 H ALA A 44 30.836 16.222 2.867 1.00 0.00 H new ATOM 0 HA ALA A 44 30.134 13.729 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 44 30.965 12.786 3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 44 32.076 14.004 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 44 31.023 14.419 4.515 1.00 0.00 H new ATOM 727 N LEU A 45 27.990 15.092 3.678 1.00 0.00 N ATOM 728 CA LEU A 45 26.632 15.006 4.200 1.00 0.00 C ATOM 729 C LEU A 45 25.674 14.521 3.106 1.00 0.00 C ATOM 730 O LEU A 45 24.626 13.943 3.390 1.00 0.00 O ATOM 731 CB LEU A 45 26.182 16.372 4.737 1.00 0.00 C ATOM 732 CG LEU A 45 24.792 16.414 5.384 1.00 0.00 C ATOM 733 CD1 LEU A 45 24.745 15.530 6.621 1.00 0.00 C ATOM 734 CD2 LEU A 45 24.411 17.844 5.730 1.00 0.00 C ATOM 0 H LEU A 45 28.392 16.029 3.711 1.00 0.00 H new ATOM 0 HA LEU A 45 26.616 14.288 5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 45 26.913 16.711 5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 45 26.200 17.088 3.915 1.00 0.00 H new ATOM 0 HG LEU A 45 24.068 16.029 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 45 23.750 15.576 7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 45 24.971 14.501 6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 45 25.480 15.879 7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 45 23.422 17.856 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 45 25.140 18.256 6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 45 24.398 18.447 4.822 1.00 0.00 H new ATOM 746 N GLU A 46 26.038 14.770 1.850 1.00 0.00 N ATOM 747 CA GLU A 46 25.239 14.318 0.711 1.00 0.00 C ATOM 748 C GLU A 46 25.500 12.839 0.444 1.00 0.00 C ATOM 749 O GLU A 46 24.674 12.141 -0.140 1.00 0.00 O ATOM 750 CB GLU A 46 25.567 15.148 -0.541 1.00 0.00 C ATOM 751 CG GLU A 46 24.725 14.806 -1.752 1.00 0.00 C ATOM 752 CD GLU A 46 25.123 15.605 -2.964 1.00 0.00 C ATOM 753 OE1 GLU A 46 26.065 15.191 -3.669 1.00 0.00 O ATOM 754 OE2 GLU A 46 24.499 16.650 -3.223 1.00 0.00 O ATOM 0 H GLU A 46 26.882 15.283 1.594 1.00 0.00 H new ATOM 0 HA GLU A 46 24.184 14.455 0.950 1.00 0.00 H new ATOM 0 HB2 GLU A 46 25.435 16.204 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.618 15.006 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 46 24.822 13.743 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 46 23.675 14.990 -1.526 1.00 0.00 H new ATOM 761 N ASP A 47 26.635 12.358 0.930 1.00 0.00 N ATOM 762 CA ASP A 47 27.030 10.962 0.736 1.00 0.00 C ATOM 763 C ASP A 47 26.275 10.067 1.692 1.00 0.00 C ATOM 764 O ASP A 47 26.397 8.842 1.651 1.00 0.00 O ATOM 765 CB ASP A 47 28.546 10.773 0.898 1.00 0.00 C ATOM 766 CG ASP A 47 29.331 11.395 -0.236 1.00 0.00 C ATOM 767 OD1 ASP A 47 29.397 12.638 -0.311 1.00 0.00 O ATOM 768 OD2 ASP A 47 29.883 10.645 -1.062 1.00 0.00 O ATOM 0 H ASP A 47 27.304 12.913 1.464 1.00 0.00 H new ATOM 0 HA ASP A 47 26.775 10.682 -0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 47 28.865 11.215 1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 47 28.773 9.708 0.952 1.00 0.00 H new ATOM 773 N LYS A 48 25.485 10.699 2.556 1.00 0.00 N ATOM 774 CA LYS A 48 24.629 9.992 3.502 1.00 0.00 C ATOM 775 C LYS A 48 23.722 9.011 2.761 1.00 0.00 C ATOM 776 O LYS A 48 23.479 7.902 3.229 1.00 0.00 O ATOM 777 CB LYS A 48 23.773 10.991 4.306 1.00 0.00 C ATOM 778 CG LYS A 48 22.832 10.347 5.314 1.00 0.00 C ATOM 779 CD LYS A 48 21.924 11.385 5.950 1.00 0.00 C ATOM 780 CE LYS A 48 20.961 10.753 6.940 1.00 0.00 C ATOM 781 NZ LYS A 48 20.004 11.742 7.495 1.00 0.00 N ATOM 0 H LYS A 48 25.421 11.715 2.619 1.00 0.00 H new ATOM 0 HA LYS A 48 25.264 9.438 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.436 11.676 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.185 11.589 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.229 9.585 4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.411 9.843 6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.529 12.136 6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.361 11.902 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.409 9.952 6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.525 10.298 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.366 11.269 8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.528 12.494 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.447 12.158 6.722 1.00 0.00 H new ATOM 795 N LEU A 49 23.241 9.424 1.592 1.00 0.00 N ATOM 796 CA LEU A 49 22.371 8.583 0.795 1.00 0.00 C ATOM 797 C LEU A 49 22.724 8.702 -0.697 1.00 0.00 C ATOM 798 O LEU A 49 21.933 8.357 -1.566 1.00 0.00 O ATOM 799 CB LEU A 49 20.913 8.977 1.043 1.00 0.00 C ATOM 800 CG LEU A 49 19.850 8.004 0.526 1.00 0.00 C ATOM 801 CD1 LEU A 49 20.016 6.634 1.167 1.00 0.00 C ATOM 802 CD2 LEU A 49 18.466 8.555 0.797 1.00 0.00 C ATOM 0 H LEU A 49 23.442 10.336 1.181 1.00 0.00 H new ATOM 0 HA LEU A 49 22.510 7.543 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 49 20.770 9.101 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 49 20.739 9.950 0.584 1.00 0.00 H new ATOM 0 HG LEU A 49 19.977 7.890 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 49 19.250 5.959 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 49 21.002 6.237 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 49 19.914 6.724 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.717 7.856 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 49 18.333 8.693 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 49 18.350 9.513 0.291 1.00 0.00 H new ATOM 814 N ALA A 50 23.927 9.188 -0.976 1.00 0.00 N ATOM 815 CA ALA A 50 24.395 9.343 -2.357 1.00 0.00 C ATOM 816 C ALA A 50 24.645 7.990 -3.015 1.00 0.00 C ATOM 817 O ALA A 50 24.654 6.955 -2.344 1.00 0.00 O ATOM 818 CB ALA A 50 25.659 10.186 -2.406 1.00 0.00 C ATOM 0 H ALA A 50 24.600 9.483 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 50 23.608 9.853 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 50 25.988 10.288 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 50 25.454 11.173 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 50 26.442 9.702 -1.822 1.00 0.00 H new ATOM 824 N ASP A 51 24.853 8.000 -4.320 1.00 0.00 N ATOM 825 CA ASP A 51 25.117 6.781 -5.066 1.00 0.00 C ATOM 826 C ASP A 51 26.437 6.930 -5.817 1.00 0.00 C ATOM 827 O ASP A 51 26.742 8.017 -6.319 1.00 0.00 O ATOM 828 CB ASP A 51 23.965 6.489 -6.041 1.00 0.00 C ATOM 829 CG ASP A 51 24.055 5.109 -6.669 1.00 0.00 C ATOM 830 OD1 ASP A 51 24.609 4.986 -7.776 1.00 0.00 O ATOM 831 OD2 ASP A 51 23.562 4.134 -6.053 1.00 0.00 O ATOM 0 H ASP A 51 24.844 8.846 -4.889 1.00 0.00 H new ATOM 0 HA ASP A 51 25.191 5.941 -4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 51 23.016 6.580 -5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 51 23.964 7.242 -6.829 1.00 0.00 H new ATOM 836 N TYR A 52 27.211 5.844 -5.871 1.00 0.00 N ATOM 837 CA TYR A 52 28.549 5.821 -6.491 1.00 0.00 C ATOM 838 C TYR A 52 29.576 6.466 -5.577 1.00 0.00 C ATOM 839 O TYR A 52 30.110 5.758 -4.701 1.00 0.00 O ATOM 840 CB TYR A 52 28.585 6.490 -7.881 1.00 0.00 C ATOM 841 CG TYR A 52 27.929 5.694 -8.983 1.00 0.00 C ATOM 842 CD1 TYR A 52 26.896 6.238 -9.731 1.00 0.00 C ATOM 843 CD2 TYR A 52 28.349 4.405 -9.278 1.00 0.00 C ATOM 844 CE1 TYR A 52 26.300 5.518 -10.745 1.00 0.00 C ATOM 845 CE2 TYR A 52 27.757 3.680 -10.291 1.00 0.00 C ATOM 846 CZ TYR A 52 26.733 4.242 -11.021 1.00 0.00 C ATOM 847 OH TYR A 52 26.140 3.524 -12.029 1.00 0.00 O ATOM 848 OXT TYR A 52 29.856 7.676 -5.736 1.00 0.00 O ATOM 0 H TYR A 52 26.929 4.944 -5.483 1.00 0.00 H new ATOM 0 HA TYR A 52 28.799 4.770 -6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 52 28.097 7.462 -7.814 1.00 0.00 H new ATOM 0 HB3 TYR A 52 29.624 6.674 -8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 52 26.553 7.240 -9.517 1.00 0.00 H new ATOM 0 HD2 TYR A 52 29.151 3.963 -8.706 1.00 0.00 H new ATOM 0 HE1 TYR A 52 25.497 5.954 -11.320 1.00 0.00 H new ATOM 0 HE2 TYR A 52 28.094 2.678 -10.511 1.00 0.00 H new ATOM 0 HH TYR A 52 26.563 2.642 -12.095 1.00 0.00 H new TER 858 TYR A 52