USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=11 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+ -104:sc= 0.0703 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= -0.0167 (180deg=-0.205) USER MOD Single : A 17 ASN : amide:sc= -1.28! K(o=-1.3!,f=-0.11) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 0.139 (180deg=0.0861) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.4!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= -0.0317 (180deg=-0.261) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0482 (180deg=-0.372) USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= -0.032 (180deg=-0.183) 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 -2.172 -17.541 13.987 1.00 0.00 N ATOM 2 CA GLY A 1 -3.520 -17.097 13.601 1.00 0.00 C ATOM 3 C GLY A 1 -3.530 -16.429 12.248 1.00 0.00 C ATOM 4 O GLY A 1 -2.478 -16.028 11.737 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.099 -18.572 13.868 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.466 -17.072 13.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.997 -17.294 14.982 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.194 -17.954 13.587 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.902 -16.404 14.350 1.00 0.00 H new ATOM 10 N SER A 2 -4.716 -16.284 11.675 1.00 0.00 N ATOM 11 CA SER A 2 -4.885 -15.681 10.362 1.00 0.00 C ATOM 12 C SER A 2 -4.529 -14.200 10.384 1.00 0.00 C ATOM 13 O SER A 2 -4.277 -13.597 9.339 1.00 0.00 O ATOM 14 CB SER A 2 -6.318 -15.876 9.881 1.00 0.00 C ATOM 15 OG SER A 2 -6.655 -17.254 9.847 1.00 0.00 O ATOM 0 H SER A 2 -5.590 -16.582 12.109 1.00 0.00 H new ATOM 0 HA SER A 2 -4.205 -16.176 9.669 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.004 -15.346 10.542 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.435 -15.444 8.887 1.00 0.00 H new ATOM 0 HG SER A 2 -7.579 -17.357 9.537 1.00 0.00 H new ATOM 21 N VAL A 3 -4.505 -13.620 11.575 1.00 0.00 N ATOM 22 CA VAL A 3 -4.127 -12.225 11.742 1.00 0.00 C ATOM 23 C VAL A 3 -2.691 -11.990 11.239 1.00 0.00 C ATOM 24 O VAL A 3 -2.362 -10.915 10.747 1.00 0.00 O ATOM 25 CB VAL A 3 -4.259 -11.784 13.227 1.00 0.00 C ATOM 26 CG1 VAL A 3 -3.396 -12.646 14.138 1.00 0.00 C ATOM 27 CG2 VAL A 3 -3.915 -10.309 13.390 1.00 0.00 C ATOM 0 H VAL A 3 -4.744 -14.097 12.444 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.809 -11.619 11.146 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.299 -11.924 13.523 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.510 -12.313 15.170 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.708 -13.687 14.056 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.351 -12.556 13.841 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.015 -10.026 14.438 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.889 -10.136 13.064 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.594 -9.708 12.785 1.00 0.00 H new ATOM 37 N GLU A 4 -1.859 -13.022 11.334 1.00 0.00 N ATOM 38 CA GLU A 4 -0.476 -12.939 10.876 1.00 0.00 C ATOM 39 C GLU A 4 -0.401 -12.975 9.356 1.00 0.00 C ATOM 40 O GLU A 4 0.600 -12.599 8.767 1.00 0.00 O ATOM 41 CB GLU A 4 0.352 -14.081 11.467 1.00 0.00 C ATOM 42 CG GLU A 4 0.449 -14.042 12.979 1.00 0.00 C ATOM 43 CD GLU A 4 1.319 -12.906 13.478 1.00 0.00 C ATOM 44 OE1 GLU A 4 2.509 -13.153 13.757 1.00 0.00 O ATOM 45 OE2 GLU A 4 0.820 -11.766 13.604 1.00 0.00 O ATOM 0 H GLU A 4 -2.119 -13.928 11.725 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.066 -11.989 11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.087 -15.031 11.164 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.357 -14.046 11.046 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.551 -13.941 13.401 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.853 -14.989 13.338 1.00 0.00 H new ATOM 52 N LYS A 5 -1.460 -13.446 8.725 1.00 0.00 N ATOM 53 CA LYS A 5 -1.521 -13.495 7.277 1.00 0.00 C ATOM 54 C LYS A 5 -1.841 -12.114 6.718 1.00 0.00 C ATOM 55 O LYS A 5 -1.184 -11.637 5.794 1.00 0.00 O ATOM 56 CB LYS A 5 -2.587 -14.500 6.833 1.00 0.00 C ATOM 57 CG LYS A 5 -2.860 -14.501 5.340 1.00 0.00 C ATOM 58 CD LYS A 5 -4.061 -15.362 5.005 1.00 0.00 C ATOM 59 CE LYS A 5 -4.429 -15.254 3.538 1.00 0.00 C ATOM 60 NZ LYS A 5 -5.633 -16.050 3.217 1.00 0.00 N ATOM 0 H LYS A 5 -2.293 -13.801 9.195 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.551 -13.813 6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.275 -15.500 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.516 -14.284 7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.034 -13.481 4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.984 -14.871 4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.845 -16.402 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.910 -15.059 5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.605 -14.209 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.593 -15.595 2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.854 -15.952 2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.456 -17.051 3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.436 -15.708 3.782 1.00 0.00 H new ATOM 74 N LEU A 6 -2.848 -11.476 7.294 1.00 0.00 N ATOM 75 CA LEU A 6 -3.270 -10.152 6.854 1.00 0.00 C ATOM 76 C LEU A 6 -2.393 -9.041 7.442 1.00 0.00 C ATOM 77 O LEU A 6 -2.607 -7.856 7.182 1.00 0.00 O ATOM 78 CB LEU A 6 -4.769 -9.929 7.155 1.00 0.00 C ATOM 79 CG LEU A 6 -5.259 -10.301 8.565 1.00 0.00 C ATOM 80 CD1 LEU A 6 -4.880 -9.240 9.581 1.00 0.00 C ATOM 81 CD2 LEU A 6 -6.763 -10.529 8.563 1.00 0.00 C ATOM 0 H LEU A 6 -3.391 -11.854 8.070 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.137 -10.104 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.996 -8.877 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.349 -10.503 6.432 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.766 -11.229 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.241 -9.534 10.566 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.796 -9.134 9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.330 -8.288 9.299 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.093 -10.791 9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.269 -9.619 8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.007 -11.341 7.878 1.00 0.00 H new ATOM 93 N THR A 7 -1.414 -9.428 8.242 1.00 0.00 N ATOM 94 CA THR A 7 -0.483 -8.516 8.799 1.00 0.00 C ATOM 95 C THR A 7 0.862 -9.253 8.969 1.00 0.00 C ATOM 96 O THR A 7 1.045 -10.009 9.926 1.00 0.00 O ATOM 97 CB THR A 7 -0.965 -8.009 10.178 1.00 0.00 C ATOM 98 OG1 THR A 7 -2.264 -7.414 10.039 1.00 0.00 O ATOM 99 CG2 THR A 7 -0.001 -6.974 10.743 1.00 0.00 C ATOM 0 H THR A 7 -1.258 -10.399 8.514 1.00 0.00 H new ATOM 0 HA THR A 7 -0.378 -7.655 8.138 1.00 0.00 H new ATOM 0 HB THR A 7 -1.009 -8.857 10.862 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.572 -7.093 10.912 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.362 -6.632 11.713 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.986 -7.422 10.860 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.063 -6.126 10.061 1.00 0.00 H new ATOM 107 N ALA A 8 1.784 -9.036 8.049 1.00 0.00 N ATOM 108 CA ALA A 8 3.105 -9.639 8.115 1.00 0.00 C ATOM 109 C ALA A 8 4.073 -8.861 7.255 1.00 0.00 C ATOM 110 O ALA A 8 5.192 -8.570 7.670 1.00 0.00 O ATOM 111 CB ALA A 8 3.055 -11.089 7.659 1.00 0.00 C ATOM 0 H ALA A 8 1.640 -8.438 7.236 1.00 0.00 H new ATOM 0 HA ALA A 8 3.445 -9.612 9.150 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.053 -11.523 7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.378 -11.650 8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.697 -11.135 6.630 1.00 0.00 H new ATOM 117 N ASP A 9 3.627 -8.508 6.058 1.00 0.00 N ATOM 118 CA ASP A 9 4.444 -7.745 5.126 1.00 0.00 C ATOM 119 C ASP A 9 4.787 -6.391 5.727 1.00 0.00 C ATOM 120 O ASP A 9 5.912 -5.919 5.625 1.00 0.00 O ATOM 121 CB ASP A 9 3.711 -7.570 3.788 1.00 0.00 C ATOM 122 CG ASP A 9 3.388 -8.895 3.128 1.00 0.00 C ATOM 123 OD1 ASP A 9 4.176 -9.343 2.271 1.00 0.00 O ATOM 124 OD2 ASP A 9 2.350 -9.507 3.477 1.00 0.00 O ATOM 0 H ASP A 9 2.697 -8.740 5.708 1.00 0.00 H new ATOM 0 HA ASP A 9 5.369 -8.291 4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.788 -7.015 3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.326 -6.973 3.115 1.00 0.00 H new ATOM 129 N ALA A 10 3.796 -5.776 6.349 1.00 0.00 N ATOM 130 CA ALA A 10 3.986 -4.494 7.036 1.00 0.00 C ATOM 131 C ALA A 10 4.818 -4.664 8.309 1.00 0.00 C ATOM 132 O ALA A 10 5.501 -3.741 8.744 1.00 0.00 O ATOM 133 CB ALA A 10 2.641 -3.842 7.363 1.00 0.00 C ATOM 0 H ALA A 10 2.844 -6.140 6.397 1.00 0.00 H new ATOM 0 HA ALA A 10 4.532 -3.838 6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.811 -2.893 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.089 -3.665 6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.064 -4.503 8.010 1.00 0.00 H new ATOM 139 N GLU A 11 4.777 -5.853 8.886 1.00 0.00 N ATOM 140 CA GLU A 11 5.522 -6.131 10.119 1.00 0.00 C ATOM 141 C GLU A 11 7.017 -6.233 9.801 1.00 0.00 C ATOM 142 O GLU A 11 7.856 -5.593 10.449 1.00 0.00 O ATOM 143 CB GLU A 11 5.016 -7.434 10.778 1.00 0.00 C ATOM 144 CG GLU A 11 5.637 -7.731 12.129 1.00 0.00 C ATOM 145 CD GLU A 11 5.329 -9.132 12.605 1.00 0.00 C ATOM 146 OE1 GLU A 11 4.152 -9.421 12.918 1.00 0.00 O ATOM 147 OE2 GLU A 11 6.260 -9.956 12.665 1.00 0.00 O ATOM 0 H GLU A 11 4.240 -6.643 8.528 1.00 0.00 H new ATOM 0 HA GLU A 11 5.362 -5.315 10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.934 -7.372 10.894 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.218 -8.269 10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.717 -7.600 12.067 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.270 -7.012 12.861 1.00 0.00 H new ATOM 154 N LEU A 12 7.334 -7.018 8.780 1.00 0.00 N ATOM 155 CA LEU A 12 8.713 -7.195 8.334 1.00 0.00 C ATOM 156 C LEU A 12 9.243 -5.908 7.702 1.00 0.00 C ATOM 157 O LEU A 12 10.450 -5.646 7.709 1.00 0.00 O ATOM 158 CB LEU A 12 8.829 -8.400 7.351 1.00 0.00 C ATOM 159 CG LEU A 12 8.036 -8.320 6.014 1.00 0.00 C ATOM 160 CD1 LEU A 12 8.772 -7.504 4.972 1.00 0.00 C ATOM 161 CD2 LEU A 12 7.740 -9.714 5.483 1.00 0.00 C ATOM 0 H LEU A 12 6.650 -7.547 8.240 1.00 0.00 H new ATOM 0 HA LEU A 12 9.330 -7.419 9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.883 -8.535 7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.506 -9.297 7.880 1.00 0.00 H new ATOM 0 HG LEU A 12 7.093 -7.815 6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.186 -7.472 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.921 -6.490 5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.740 -7.962 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.185 -9.637 4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.677 -10.243 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.146 -10.263 6.213 1.00 0.00 H new ATOM 173 N GLN A 13 8.324 -5.106 7.178 1.00 0.00 N ATOM 174 CA GLN A 13 8.665 -3.848 6.514 1.00 0.00 C ATOM 175 C GLN A 13 9.395 -2.908 7.463 1.00 0.00 C ATOM 176 O GLN A 13 10.540 -2.527 7.213 1.00 0.00 O ATOM 177 CB GLN A 13 7.408 -3.159 5.964 1.00 0.00 C ATOM 178 CG GLN A 13 7.691 -1.891 5.182 1.00 0.00 C ATOM 179 CD GLN A 13 6.425 -1.163 4.794 1.00 0.00 C ATOM 180 OE1 GLN A 13 5.945 -0.301 5.526 1.00 0.00 O ATOM 181 NE2 GLN A 13 5.873 -1.505 3.652 1.00 0.00 N ATOM 0 H GLN A 13 7.324 -5.306 7.200 1.00 0.00 H new ATOM 0 HA GLN A 13 9.327 -4.087 5.682 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.875 -3.859 5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.744 -2.921 6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.319 -1.230 5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.255 -2.139 4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.304 -2.226 3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.014 -1.050 3.344 1.00 0.00 H new ATOM 190 N ARG A 14 8.748 -2.556 8.571 1.00 0.00 N ATOM 191 CA ARG A 14 9.341 -1.616 9.516 1.00 0.00 C ATOM 192 C ARG A 14 10.552 -2.212 10.218 1.00 0.00 C ATOM 193 O ARG A 14 11.470 -1.489 10.585 1.00 0.00 O ATOM 194 CB ARG A 14 8.320 -1.129 10.563 1.00 0.00 C ATOM 195 CG ARG A 14 8.939 -0.222 11.616 1.00 0.00 C ATOM 196 CD ARG A 14 7.939 0.203 12.668 1.00 0.00 C ATOM 197 NE ARG A 14 8.606 0.848 13.798 1.00 0.00 N ATOM 198 CZ ARG A 14 7.998 1.561 14.737 1.00 0.00 C ATOM 199 NH1 ARG A 14 6.693 1.802 14.662 1.00 0.00 N ATOM 200 NH2 ARG A 14 8.706 2.055 15.740 1.00 0.00 N ATOM 0 H ARG A 14 7.825 -2.902 8.834 1.00 0.00 H new ATOM 0 HA ARG A 14 9.666 -0.758 8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.516 -0.594 10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.870 -1.992 11.053 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.769 -0.740 12.096 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.352 0.663 11.132 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.215 0.889 12.229 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.383 -0.667 13.018 1.00 0.00 H new ATOM 0 HE ARG A 14 9.618 0.741 13.870 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.151 1.438 13.878 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.233 2.351 15.388 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.711 1.886 15.787 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.247 2.604 16.466 1.00 0.00 H new ATOM 214 N LEU A 15 10.583 -3.529 10.364 1.00 0.00 N ATOM 215 CA LEU A 15 11.679 -4.172 11.077 1.00 0.00 C ATOM 216 C LEU A 15 12.983 -3.999 10.305 1.00 0.00 C ATOM 217 O LEU A 15 14.051 -3.783 10.890 1.00 0.00 O ATOM 218 CB LEU A 15 11.378 -5.664 11.286 1.00 0.00 C ATOM 219 CG LEU A 15 12.416 -6.453 12.093 1.00 0.00 C ATOM 220 CD1 LEU A 15 12.524 -5.913 13.510 1.00 0.00 C ATOM 221 CD2 LEU A 15 12.064 -7.933 12.108 1.00 0.00 C ATOM 0 H LEU A 15 9.873 -4.166 10.004 1.00 0.00 H new ATOM 0 HA LEU A 15 11.785 -3.699 12.053 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.414 -5.753 11.787 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.274 -6.134 10.308 1.00 0.00 H new ATOM 0 HG LEU A 15 13.386 -6.334 11.611 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.266 -6.488 14.063 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.826 -4.866 13.478 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.557 -5.997 14.006 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.811 -8.479 12.685 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.083 -8.069 12.563 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.046 -8.313 11.087 1.00 0.00 H new ATOM 233 N LYS A 16 12.880 -4.066 8.993 1.00 0.00 N ATOM 234 CA LYS A 16 14.039 -3.934 8.127 1.00 0.00 C ATOM 235 C LYS A 16 14.375 -2.463 7.891 1.00 0.00 C ATOM 236 O LYS A 16 15.535 -2.060 7.970 1.00 0.00 O ATOM 237 CB LYS A 16 13.794 -4.640 6.784 1.00 0.00 C ATOM 238 CG LYS A 16 14.987 -4.618 5.848 1.00 0.00 C ATOM 239 CD LYS A 16 14.652 -5.265 4.518 1.00 0.00 C ATOM 240 CE LYS A 16 15.846 -5.258 3.581 1.00 0.00 C ATOM 241 NZ LYS A 16 16.981 -6.048 4.118 1.00 0.00 N ATOM 0 H LYS A 16 12.000 -4.212 8.498 1.00 0.00 H new ATOM 0 HA LYS A 16 14.886 -4.408 8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.515 -5.676 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.946 -4.168 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.306 -3.588 5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.824 -5.141 6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.324 -6.291 4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.820 -4.735 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.549 -5.662 2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.168 -4.230 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.683 -6.202 3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.423 -5.530 4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.633 -6.966 4.460 1.00 0.00 H new ATOM 255 N ASN A 17 13.348 -1.660 7.635 1.00 0.00 N ATOM 256 CA ASN A 17 13.547 -0.238 7.329 1.00 0.00 C ATOM 257 C ASN A 17 14.076 0.531 8.527 1.00 0.00 C ATOM 258 O ASN A 17 14.988 1.347 8.388 1.00 0.00 O ATOM 259 CB ASN A 17 12.259 0.417 6.809 1.00 0.00 C ATOM 260 CG ASN A 17 11.855 -0.072 5.425 1.00 0.00 C ATOM 261 OD1 ASN A 17 10.671 -0.137 5.102 1.00 0.00 O ATOM 262 ND2 ASN A 17 12.831 -0.401 4.592 1.00 0.00 N ATOM 0 H ASN A 17 12.374 -1.962 7.632 1.00 0.00 H new ATOM 0 HA ASN A 17 14.297 -0.195 6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.448 0.216 7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.395 1.498 6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.610 -0.720 3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.803 -0.335 4.894 1.00 0.00 H new ATOM 269 N GLU A 18 13.515 0.268 9.703 1.00 0.00 N ATOM 270 CA GLU A 18 13.941 0.949 10.922 1.00 0.00 C ATOM 271 C GLU A 18 15.376 0.572 11.266 1.00 0.00 C ATOM 272 O GLU A 18 16.192 1.430 11.612 1.00 0.00 O ATOM 273 CB GLU A 18 13.008 0.598 12.087 1.00 0.00 C ATOM 274 CG GLU A 18 13.311 1.345 13.373 1.00 0.00 C ATOM 275 CD GLU A 18 12.391 0.953 14.509 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.201 1.328 14.474 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.856 0.288 15.458 1.00 0.00 O ATOM 0 H GLU A 18 12.766 -0.411 9.838 1.00 0.00 H new ATOM 0 HA GLU A 18 13.893 2.024 10.750 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.980 0.809 11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.071 -0.473 12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.344 1.153 13.665 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.224 2.417 13.194 1.00 0.00 H new ATOM 284 N ARG A 19 15.683 -0.714 11.146 1.00 0.00 N ATOM 285 CA ARG A 19 17.026 -1.213 11.450 1.00 0.00 C ATOM 286 C ARG A 19 18.049 -0.589 10.507 1.00 0.00 C ATOM 287 O ARG A 19 19.106 -0.115 10.938 1.00 0.00 O ATOM 288 CB ARG A 19 17.081 -2.739 11.336 1.00 0.00 C ATOM 289 CG ARG A 19 18.375 -3.343 11.841 1.00 0.00 C ATOM 290 CD ARG A 19 18.420 -4.834 11.580 1.00 0.00 C ATOM 291 NE ARG A 19 17.201 -5.510 12.032 1.00 0.00 N ATOM 292 CZ ARG A 19 17.168 -6.751 12.517 1.00 0.00 C ATOM 293 NH1 ARG A 19 18.289 -7.442 12.657 1.00 0.00 N ATOM 294 NH2 ARG A 19 16.012 -7.297 12.871 1.00 0.00 N ATOM 0 H ARG A 19 15.025 -1.431 10.842 1.00 0.00 H new ATOM 0 HA ARG A 19 17.265 -0.932 12.476 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.249 -3.166 11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.942 -3.021 10.292 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.221 -2.860 11.352 1.00 0.00 H new ATOM 0 HG3 ARG A 19 18.475 -3.155 12.910 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.558 -5.011 10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.283 -5.265 12.088 1.00 0.00 H new ATOM 0 HE ARG A 19 16.321 -4.998 11.972 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.182 -7.025 12.393 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.260 -8.391 13.029 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.146 -6.767 12.772 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.989 -8.247 13.242 1.00 0.00 H new ATOM 308 N HIS A 20 17.723 -0.587 9.224 1.00 0.00 N ATOM 309 CA HIS A 20 18.605 -0.013 8.208 1.00 0.00 C ATOM 310 C HIS A 20 18.760 1.493 8.409 1.00 0.00 C ATOM 311 O HIS A 20 19.839 2.048 8.196 1.00 0.00 O ATOM 312 CB HIS A 20 18.084 -0.306 6.788 1.00 0.00 C ATOM 313 CG HIS A 20 18.941 0.272 5.702 1.00 0.00 C ATOM 314 ND1 HIS A 20 18.537 1.319 4.904 1.00 0.00 N ATOM 315 CD2 HIS A 20 20.185 -0.055 5.289 1.00 0.00 C ATOM 316 CE1 HIS A 20 19.493 1.616 4.050 1.00 0.00 C ATOM 317 NE2 HIS A 20 20.507 0.797 4.260 1.00 0.00 N ATOM 0 H HIS A 20 16.854 -0.976 8.857 1.00 0.00 H new ATOM 0 HA HIS A 20 19.582 -0.483 8.319 1.00 0.00 H new ATOM 0 HB2 HIS A 20 18.017 -1.385 6.650 1.00 0.00 H new ATOM 0 HB3 HIS A 20 17.074 0.091 6.692 1.00 0.00 H new ATOM 0 HD2 HIS A 20 20.809 -0.839 5.692 1.00 0.00 H new ATOM 0 HE1 HIS A 20 19.455 2.397 3.305 1.00 0.00 H new ATOM 0 HE2 HIS A 20 21.386 0.797 3.743 1.00 0.00 H new ATOM 325 N GLU A 21 17.685 2.141 8.830 1.00 0.00 N ATOM 326 CA GLU A 21 17.703 3.586 9.042 1.00 0.00 C ATOM 327 C GLU A 21 18.626 3.935 10.201 1.00 0.00 C ATOM 328 O GLU A 21 19.354 4.934 10.153 1.00 0.00 O ATOM 329 CB GLU A 21 16.288 4.133 9.304 1.00 0.00 C ATOM 330 CG GLU A 21 16.169 5.639 9.124 1.00 0.00 C ATOM 331 CD GLU A 21 16.521 6.079 7.715 1.00 0.00 C ATOM 332 OE1 GLU A 21 16.053 5.435 6.752 1.00 0.00 O ATOM 333 OE2 GLU A 21 17.254 7.081 7.560 1.00 0.00 O ATOM 0 H GLU A 21 16.791 1.694 9.032 1.00 0.00 H new ATOM 0 HA GLU A 21 18.079 4.054 8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.587 3.639 8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.990 3.873 10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.151 5.951 9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.826 6.141 9.834 1.00 0.00 H new ATOM 340 N GLU A 22 18.610 3.098 11.240 1.00 0.00 N ATOM 341 CA GLU A 22 19.478 3.316 12.391 1.00 0.00 C ATOM 342 C GLU A 22 20.936 3.224 11.971 1.00 0.00 C ATOM 343 O GLU A 22 21.738 4.091 12.309 1.00 0.00 O ATOM 344 CB GLU A 22 19.209 2.313 13.527 1.00 0.00 C ATOM 345 CG GLU A 22 20.017 2.622 14.779 1.00 0.00 C ATOM 346 CD GLU A 22 20.045 1.488 15.775 1.00 0.00 C ATOM 347 OE1 GLU A 22 18.970 0.942 16.096 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.151 1.152 16.267 1.00 0.00 O ATOM 0 H GLU A 22 18.013 2.274 11.306 1.00 0.00 H new ATOM 0 HA GLU A 22 19.259 4.314 12.770 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.147 2.322 13.772 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.448 1.307 13.183 1.00 0.00 H new ATOM 0 HG2 GLU A 22 21.039 2.866 14.490 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.601 3.507 15.260 1.00 0.00 H new ATOM 355 N ALA A 23 21.277 2.166 11.225 1.00 0.00 N ATOM 356 CA ALA A 23 22.653 1.961 10.744 1.00 0.00 C ATOM 357 C ALA A 23 23.136 3.137 9.901 1.00 0.00 C ATOM 358 O ALA A 23 24.319 3.464 9.899 1.00 0.00 O ATOM 359 CB ALA A 23 22.772 0.656 9.950 1.00 0.00 C ATOM 0 H ALA A 23 20.621 1.438 10.941 1.00 0.00 H new ATOM 0 HA ALA A 23 23.292 1.892 11.624 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.799 0.531 9.607 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.497 -0.184 10.588 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.104 0.692 9.089 1.00 0.00 H new ATOM 365 N GLU A 24 22.218 3.770 9.188 1.00 0.00 N ATOM 366 CA GLU A 24 22.567 4.924 8.358 1.00 0.00 C ATOM 367 C GLU A 24 23.021 6.084 9.260 1.00 0.00 C ATOM 368 O GLU A 24 24.069 6.690 9.033 1.00 0.00 O ATOM 369 CB GLU A 24 21.376 5.341 7.460 1.00 0.00 C ATOM 370 CG GLU A 24 21.773 5.975 6.132 1.00 0.00 C ATOM 371 CD GLU A 24 22.366 7.361 6.270 1.00 0.00 C ATOM 372 OE1 GLU A 24 21.654 8.274 6.725 1.00 0.00 O ATOM 373 OE2 GLU A 24 23.539 7.552 5.881 1.00 0.00 O ATOM 0 H GLU A 24 21.232 3.511 9.163 1.00 0.00 H new ATOM 0 HA GLU A 24 23.389 4.653 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.764 4.461 7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.752 6.044 8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 24 22.495 5.329 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 24 20.895 6.028 5.488 1.00 0.00 H new ATOM 380 N LEU A 25 22.234 6.368 10.295 1.00 0.00 N ATOM 381 CA LEU A 25 22.593 7.403 11.267 1.00 0.00 C ATOM 382 C LEU A 25 23.819 6.968 12.073 1.00 0.00 C ATOM 383 O LEU A 25 24.631 7.790 12.493 1.00 0.00 O ATOM 384 CB LEU A 25 21.416 7.694 12.193 1.00 0.00 C ATOM 385 CG LEU A 25 20.156 8.225 11.503 1.00 0.00 C ATOM 386 CD1 LEU A 25 19.033 8.398 12.504 1.00 0.00 C ATOM 387 CD2 LEU A 25 20.446 9.541 10.795 1.00 0.00 C ATOM 0 H LEU A 25 21.348 5.900 10.484 1.00 0.00 H new ATOM 0 HA LEU A 25 22.840 8.319 10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 25 21.160 6.779 12.726 1.00 0.00 H new ATOM 0 HB3 LEU A 25 21.734 8.420 12.941 1.00 0.00 H new ATOM 0 HG LEU A 25 19.842 7.495 10.757 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.147 8.776 11.995 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.805 7.437 12.964 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.338 9.106 13.275 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.538 9.902 10.311 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.787 10.278 11.522 1.00 0.00 H new ATOM 0 HD23 LEU A 25 21.221 9.387 10.044 1.00 0.00 H new ATOM 399 N GLU A 26 23.918 5.670 12.298 1.00 0.00 N ATOM 400 CA GLU A 26 25.084 5.075 12.947 1.00 0.00 C ATOM 401 C GLU A 26 26.345 5.443 12.158 1.00 0.00 C ATOM 402 O GLU A 26 27.388 5.759 12.729 1.00 0.00 O ATOM 403 CB GLU A 26 24.935 3.552 13.005 1.00 0.00 C ATOM 404 CG GLU A 26 25.986 2.852 13.845 1.00 0.00 C ATOM 405 CD GLU A 26 25.820 3.126 15.321 1.00 0.00 C ATOM 406 OE1 GLU A 26 24.916 2.523 15.936 1.00 0.00 O ATOM 407 OE2 GLU A 26 26.585 3.940 15.875 1.00 0.00 O ATOM 0 H GLU A 26 23.197 4.996 12.039 1.00 0.00 H new ATOM 0 HA GLU A 26 25.164 5.458 13.964 1.00 0.00 H new ATOM 0 HB2 GLU A 26 23.949 3.310 13.403 1.00 0.00 H new ATOM 0 HB3 GLU A 26 24.975 3.156 11.990 1.00 0.00 H new ATOM 0 HG2 GLU A 26 25.931 1.778 13.669 1.00 0.00 H new ATOM 0 HG3 GLU A 26 26.977 3.177 13.527 1.00 0.00 H new ATOM 414 N ARG A 27 26.216 5.418 10.839 1.00 0.00 N ATOM 415 CA ARG A 27 27.312 5.773 9.929 1.00 0.00 C ATOM 416 C ARG A 27 27.600 7.274 10.003 1.00 0.00 C ATOM 417 O ARG A 27 28.722 7.718 9.751 1.00 0.00 O ATOM 418 CB ARG A 27 26.954 5.375 8.489 1.00 0.00 C ATOM 419 CG ARG A 27 28.068 5.581 7.476 1.00 0.00 C ATOM 420 CD ARG A 27 27.619 5.136 6.094 1.00 0.00 C ATOM 421 NE ARG A 27 27.115 3.760 6.114 1.00 0.00 N ATOM 422 CZ ARG A 27 26.108 3.306 5.357 1.00 0.00 C ATOM 423 NH1 ARG A 27 25.523 4.102 4.466 1.00 0.00 N ATOM 424 NH2 ARG A 27 25.699 2.046 5.488 1.00 0.00 N ATOM 0 H ARG A 27 25.353 5.153 10.364 1.00 0.00 H new ATOM 0 HA ARG A 27 28.207 5.230 10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 27 26.662 4.325 8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 27 26.084 5.951 8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 27 28.355 6.632 7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 27 28.951 5.017 7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 27 26.840 5.805 5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 27 28.454 5.209 5.397 1.00 0.00 H new ATOM 0 HE ARG A 27 27.563 3.101 6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 27 25.841 5.065 4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.757 3.749 3.893 1.00 0.00 H new ATOM 0 HH21 ARG A 27 26.152 1.430 6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.932 1.696 4.913 1.00 0.00 H new ATOM 438 N LEU A 28 26.586 8.046 10.380 1.00 0.00 N ATOM 439 CA LEU A 28 26.726 9.499 10.497 1.00 0.00 C ATOM 440 C LEU A 28 27.648 9.825 11.661 1.00 0.00 C ATOM 441 O LEU A 28 28.365 10.831 11.645 1.00 0.00 O ATOM 442 CB LEU A 28 25.338 10.179 10.667 1.00 0.00 C ATOM 443 CG LEU A 28 25.310 11.719 10.661 1.00 0.00 C ATOM 444 CD1 LEU A 28 23.954 12.210 10.202 1.00 0.00 C ATOM 445 CD2 LEU A 28 25.611 12.279 12.048 1.00 0.00 C ATOM 0 H LEU A 28 25.657 7.693 10.610 1.00 0.00 H new ATOM 0 HA LEU A 28 27.166 9.892 9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.687 9.825 9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 28 24.905 9.836 11.607 1.00 0.00 H new ATOM 0 HG LEU A 28 26.079 12.068 9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 28 23.943 13.300 10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 28 23.756 11.844 9.194 1.00 0.00 H new ATOM 0 HD13 LEU A 28 23.185 11.840 10.880 1.00 0.00 H new ATOM 0 HD21 LEU A 28 25.585 13.368 12.014 1.00 0.00 H new ATOM 0 HD22 LEU A 28 24.864 11.920 12.755 1.00 0.00 H new ATOM 0 HD23 LEU A 28 26.600 11.950 12.367 1.00 0.00 H new ATOM 457 N LYS A 29 27.651 8.951 12.661 1.00 0.00 N ATOM 458 CA LYS A 29 28.530 9.114 13.800 1.00 0.00 C ATOM 459 C LYS A 29 29.966 8.981 13.337 1.00 0.00 C ATOM 460 O LYS A 29 30.822 9.799 13.678 1.00 0.00 O ATOM 461 CB LYS A 29 28.232 8.066 14.873 1.00 0.00 C ATOM 462 CG LYS A 29 26.801 8.080 15.382 1.00 0.00 C ATOM 463 CD LYS A 29 26.591 6.985 16.409 1.00 0.00 C ATOM 464 CE LYS A 29 25.145 6.905 16.866 1.00 0.00 C ATOM 465 NZ LYS A 29 24.930 5.773 17.806 1.00 0.00 N ATOM 0 H LYS A 29 27.054 8.125 12.701 1.00 0.00 H new ATOM 0 HA LYS A 29 28.367 10.100 14.235 1.00 0.00 H new ATOM 0 HB2 LYS A 29 28.452 7.078 14.469 1.00 0.00 H new ATOM 0 HB3 LYS A 29 28.906 8.224 15.715 1.00 0.00 H new ATOM 0 HG2 LYS A 29 26.576 9.050 15.825 1.00 0.00 H new ATOM 0 HG3 LYS A 29 26.111 7.942 14.549 1.00 0.00 H new ATOM 0 HD2 LYS A 29 26.891 6.027 15.984 1.00 0.00 H new ATOM 0 HD3 LYS A 29 27.234 7.167 17.270 1.00 0.00 H new ATOM 0 HE2 LYS A 29 24.864 7.840 17.351 1.00 0.00 H new ATOM 0 HE3 LYS A 29 24.495 6.787 15.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.910 5.599 17.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 25.390 4.919 17.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 25.339 6.009 18.733 1.00 0.00 H new ATOM 479 N SER A 30 30.231 7.933 12.558 1.00 0.00 N ATOM 480 CA SER A 30 31.535 7.709 11.977 1.00 0.00 C ATOM 481 C SER A 30 31.977 8.893 11.109 1.00 0.00 C ATOM 482 O SER A 30 33.161 9.209 11.061 1.00 0.00 O ATOM 483 CB SER A 30 31.514 6.424 11.161 1.00 0.00 C ATOM 484 OG SER A 30 30.994 5.352 11.933 1.00 0.00 O ATOM 0 H SER A 30 29.541 7.221 12.318 1.00 0.00 H new ATOM 0 HA SER A 30 32.260 7.613 12.785 1.00 0.00 H new ATOM 0 HB2 SER A 30 30.906 6.564 10.267 1.00 0.00 H new ATOM 0 HB3 SER A 30 32.523 6.183 10.826 1.00 0.00 H new ATOM 0 HG SER A 30 30.986 4.534 11.393 1.00 0.00 H new ATOM 490 N GLU A 31 31.022 9.542 10.427 1.00 0.00 N ATOM 491 CA GLU A 31 31.332 10.729 9.619 1.00 0.00 C ATOM 492 C GLU A 31 31.889 11.823 10.522 1.00 0.00 C ATOM 493 O GLU A 31 32.861 12.498 10.185 1.00 0.00 O ATOM 494 CB GLU A 31 30.085 11.242 8.892 1.00 0.00 C ATOM 495 CG GLU A 31 30.371 12.395 7.940 1.00 0.00 C ATOM 496 CD GLU A 31 29.118 12.999 7.352 1.00 0.00 C ATOM 497 OE1 GLU A 31 28.344 12.267 6.707 1.00 0.00 O ATOM 498 OE2 GLU A 31 28.908 14.228 7.510 1.00 0.00 O ATOM 0 H GLU A 31 30.039 9.269 10.419 1.00 0.00 H new ATOM 0 HA GLU A 31 32.073 10.454 8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 31 29.637 10.421 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 31 29.350 11.564 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 31 30.926 13.168 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 31 31.011 12.041 7.132 1.00 0.00 H new ATOM 505 N ARG A 32 31.254 11.993 11.671 1.00 0.00 N ATOM 506 CA ARG A 32 31.730 12.919 12.690 1.00 0.00 C ATOM 507 C ARG A 32 33.155 12.554 13.108 1.00 0.00 C ATOM 508 O ARG A 32 33.962 13.422 13.436 1.00 0.00 O ATOM 509 CB ARG A 32 30.791 12.900 13.902 1.00 0.00 C ATOM 510 CG ARG A 32 29.517 13.711 13.708 1.00 0.00 C ATOM 511 CD ARG A 32 28.385 13.223 14.610 1.00 0.00 C ATOM 512 NE ARG A 32 28.817 12.974 15.993 1.00 0.00 N ATOM 513 CZ ARG A 32 28.038 13.138 17.070 1.00 0.00 C ATOM 514 NH1 ARG A 32 26.835 13.688 16.952 1.00 0.00 N ATOM 515 NH2 ARG A 32 28.478 12.771 18.269 1.00 0.00 N ATOM 0 H ARG A 32 30.399 11.497 11.924 1.00 0.00 H new ATOM 0 HA ARG A 32 31.738 13.927 12.276 1.00 0.00 H new ATOM 0 HB2 ARG A 32 30.522 11.867 14.125 1.00 0.00 H new ATOM 0 HB3 ARG A 32 31.326 13.285 14.770 1.00 0.00 H new ATOM 0 HG2 ARG A 32 29.720 14.761 13.917 1.00 0.00 H new ATOM 0 HG3 ARG A 32 29.203 13.649 12.666 1.00 0.00 H new ATOM 0 HD2 ARG A 32 27.586 13.964 14.613 1.00 0.00 H new ATOM 0 HD3 ARG A 32 27.968 12.306 14.195 1.00 0.00 H new ATOM 0 HE ARG A 32 29.774 12.655 16.142 1.00 0.00 H new ATOM 0 HH11 ARG A 32 26.499 13.988 16.037 1.00 0.00 H new ATOM 0 HH12 ARG A 32 26.247 13.810 17.776 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.408 12.365 18.368 1.00 0.00 H new ATOM 0 HH22 ARG A 32 27.885 12.896 19.090 1.00 0.00 H new ATOM 529 N HIS A 33 33.460 11.262 13.060 1.00 0.00 N ATOM 530 CA HIS A 33 34.783 10.759 13.408 1.00 0.00 C ATOM 531 C HIS A 33 35.767 10.881 12.258 1.00 0.00 C ATOM 532 O HIS A 33 36.968 10.713 12.445 1.00 0.00 O ATOM 533 CB HIS A 33 34.728 9.332 13.939 1.00 0.00 C ATOM 534 CG HIS A 33 34.359 9.274 15.382 1.00 0.00 C ATOM 535 ND1 HIS A 33 35.146 9.821 16.371 1.00 0.00 N ATOM 536 CD2 HIS A 33 33.276 8.757 16.004 1.00 0.00 C ATOM 537 CE1 HIS A 33 34.570 9.645 17.539 1.00 0.00 C ATOM 538 NE2 HIS A 33 33.429 9.003 17.349 1.00 0.00 N ATOM 0 H HIS A 33 32.800 10.537 12.780 1.00 0.00 H new ATOM 0 HA HIS A 33 35.151 11.395 14.213 1.00 0.00 H new ATOM 0 HB2 HIS A 33 34.004 8.760 13.359 1.00 0.00 H new ATOM 0 HB3 HIS A 33 35.699 8.857 13.796 1.00 0.00 H new ATOM 0 HD1 HIS A 33 36.039 10.291 16.220 1.00 0.00 H new ATOM 0 HD2 HIS A 33 32.448 8.247 15.534 1.00 0.00 H new ATOM 0 HE1 HIS A 33 34.961 9.969 18.492 1.00 0.00 H new ATOM 546 N ASP A 34 35.266 11.154 11.055 1.00 0.00 N ATOM 547 CA ASP A 34 36.156 11.405 9.909 1.00 0.00 C ATOM 548 C ASP A 34 37.025 12.620 10.191 1.00 0.00 C ATOM 549 O ASP A 34 38.044 12.835 9.541 1.00 0.00 O ATOM 550 CB ASP A 34 35.384 11.601 8.588 1.00 0.00 C ATOM 551 CG ASP A 34 35.048 10.294 7.893 1.00 0.00 C ATOM 552 OD1 ASP A 34 35.786 9.908 6.958 1.00 0.00 O ATOM 553 OD2 ASP A 34 34.058 9.649 8.270 1.00 0.00 O ATOM 0 H ASP A 34 34.270 11.208 10.844 1.00 0.00 H new ATOM 0 HA ASP A 34 36.780 10.520 9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 34 34.461 12.145 8.791 1.00 0.00 H new ATOM 0 HB3 ASP A 34 35.978 12.220 7.916 1.00 0.00 H new ATOM 558 N HIS A 35 36.608 13.412 11.181 1.00 0.00 N ATOM 559 CA HIS A 35 37.375 14.574 11.613 1.00 0.00 C ATOM 560 C HIS A 35 38.637 14.130 12.340 1.00 0.00 C ATOM 561 O HIS A 35 39.664 14.802 12.278 1.00 0.00 O ATOM 562 CB HIS A 35 36.538 15.505 12.503 1.00 0.00 C ATOM 563 CG HIS A 35 35.461 16.233 11.759 1.00 0.00 C ATOM 564 ND1 HIS A 35 35.583 17.546 11.362 1.00 0.00 N ATOM 565 CD2 HIS A 35 34.241 15.828 11.331 1.00 0.00 C ATOM 566 CE1 HIS A 35 34.486 17.916 10.724 1.00 0.00 C ATOM 567 NE2 HIS A 35 33.660 16.893 10.694 1.00 0.00 N ATOM 0 H HIS A 35 35.741 13.266 11.698 1.00 0.00 H new ATOM 0 HA HIS A 35 37.658 15.138 10.724 1.00 0.00 H new ATOM 0 HB2 HIS A 35 36.084 14.919 13.302 1.00 0.00 H new ATOM 0 HB3 HIS A 35 37.198 16.233 12.976 1.00 0.00 H new ATOM 0 HD2 HIS A 35 33.807 14.848 11.467 1.00 0.00 H new ATOM 0 HE1 HIS A 35 34.300 18.892 10.300 1.00 0.00 H new ATOM 0 HE2 HIS A 35 32.735 16.892 10.265 1.00 0.00 H new ATOM 575 N ASP A 36 38.559 12.979 13.015 1.00 0.00 N ATOM 576 CA ASP A 36 39.726 12.393 13.692 1.00 0.00 C ATOM 577 C ASP A 36 40.764 12.028 12.649 1.00 0.00 C ATOM 578 O ASP A 36 41.969 12.075 12.892 1.00 0.00 O ATOM 579 CB ASP A 36 39.343 11.114 14.463 1.00 0.00 C ATOM 580 CG ASP A 36 38.402 11.344 15.626 1.00 0.00 C ATOM 581 OD1 ASP A 36 38.892 11.518 16.762 1.00 0.00 O ATOM 582 OD2 ASP A 36 37.171 11.312 15.420 1.00 0.00 O ATOM 0 H ASP A 36 37.702 12.433 13.109 1.00 0.00 H new ATOM 0 HA ASP A 36 40.115 13.126 14.399 1.00 0.00 H new ATOM 0 HB2 ASP A 36 38.880 10.411 13.770 1.00 0.00 H new ATOM 0 HB3 ASP A 36 40.253 10.642 14.835 1.00 0.00 H new ATOM 587 N LYS A 37 40.265 11.669 11.476 1.00 0.00 N ATOM 588 CA LYS A 37 41.090 11.265 10.350 1.00 0.00 C ATOM 589 C LYS A 37 41.490 12.482 9.527 1.00 0.00 C ATOM 590 O LYS A 37 42.225 12.374 8.544 1.00 0.00 O ATOM 591 CB LYS A 37 40.299 10.304 9.469 1.00 0.00 C ATOM 592 CG LYS A 37 39.620 9.182 10.235 1.00 0.00 C ATOM 593 CD LYS A 37 38.708 8.364 9.335 1.00 0.00 C ATOM 594 CE LYS A 37 39.490 7.641 8.251 1.00 0.00 C ATOM 595 NZ LYS A 37 40.464 6.679 8.822 1.00 0.00 N ATOM 0 H LYS A 37 39.265 11.650 11.278 1.00 0.00 H new ATOM 0 HA LYS A 37 41.990 10.777 10.725 1.00 0.00 H new ATOM 0 HB2 LYS A 37 39.542 10.867 8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 37 40.970 9.870 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 37 40.376 8.532 10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 37 39.040 9.601 11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 37 38.161 7.637 9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 37 37.968 9.019 8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 37 38.798 7.112 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 37 40.017 8.370 7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 40.804 6.043 8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 41.269 7.199 9.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 40.003 6.120 9.568 1.00 0.00 H new ATOM 609 N LYS A 38 40.987 13.629 9.927 1.00 0.00 N ATOM 610 CA LYS A 38 41.249 14.874 9.231 1.00 0.00 C ATOM 611 C LYS A 38 42.331 15.655 9.954 1.00 0.00 C ATOM 612 O LYS A 38 43.286 16.138 9.336 1.00 0.00 O ATOM 613 CB LYS A 38 39.958 15.707 9.133 1.00 0.00 C ATOM 614 CG LYS A 38 40.088 16.988 8.332 1.00 0.00 C ATOM 615 CD LYS A 38 38.788 17.775 8.358 1.00 0.00 C ATOM 616 CE LYS A 38 38.826 18.958 7.410 1.00 0.00 C ATOM 617 NZ LYS A 38 38.984 18.532 5.997 1.00 0.00 N ATOM 0 H LYS A 38 40.384 13.727 10.744 1.00 0.00 H new ATOM 0 HA LYS A 38 41.595 14.651 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 38 39.178 15.092 8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.626 15.957 10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 38 40.895 17.597 8.740 1.00 0.00 H new ATOM 0 HG3 LYS A 38 40.355 16.753 7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 38 37.961 17.119 8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 38 38.597 18.128 9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 38 37.908 19.536 7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 38 39.650 19.617 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 38.705 19.311 5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 39.978 18.281 5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 38.380 17.705 5.814 1.00 0.00 H new ATOM 631 N GLU A 39 42.191 15.759 11.264 1.00 0.00 N ATOM 632 CA GLU A 39 43.136 16.486 12.080 1.00 0.00 C ATOM 633 C GLU A 39 43.028 16.022 13.529 1.00 0.00 C ATOM 634 O GLU A 39 41.931 15.895 14.063 1.00 0.00 O ATOM 635 CB GLU A 39 42.863 17.987 11.978 1.00 0.00 C ATOM 636 CG GLU A 39 43.916 18.858 12.635 1.00 0.00 C ATOM 637 CD GLU A 39 45.282 18.632 12.048 1.00 0.00 C ATOM 638 OE1 GLU A 39 45.577 19.205 10.982 1.00 0.00 O ATOM 639 OE2 GLU A 39 46.066 17.874 12.643 1.00 0.00 O ATOM 0 H GLU A 39 41.421 15.342 11.787 1.00 0.00 H new ATOM 0 HA GLU A 39 44.147 16.291 11.723 1.00 0.00 H new ATOM 0 HB2 GLU A 39 42.787 18.260 10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 39 41.896 18.200 12.433 1.00 0.00 H new ATOM 0 HG2 GLU A 39 43.642 19.907 12.521 1.00 0.00 H new ATOM 0 HG3 GLU A 39 43.942 18.650 13.705 1.00 0.00 H new ATOM 646 N ALA A 40 44.167 15.792 14.160 1.00 0.00 N ATOM 647 CA ALA A 40 44.198 15.306 15.545 1.00 0.00 C ATOM 648 C ALA A 40 44.097 16.455 16.548 1.00 0.00 C ATOM 649 O ALA A 40 44.360 16.282 17.738 1.00 0.00 O ATOM 650 CB ALA A 40 45.459 14.482 15.803 1.00 0.00 C ATOM 0 H ALA A 40 45.087 15.931 13.742 1.00 0.00 H new ATOM 0 HA ALA A 40 43.328 14.665 15.685 1.00 0.00 H new ATOM 0 HB1 ALA A 40 45.460 14.132 16.835 1.00 0.00 H new ATOM 0 HB2 ALA A 40 45.478 13.625 15.130 1.00 0.00 H new ATOM 0 HB3 ALA A 40 46.340 15.100 15.628 1.00 0.00 H new ATOM 656 N GLU A 41 43.695 17.615 16.066 1.00 0.00 N ATOM 657 CA GLU A 41 43.552 18.783 16.895 1.00 0.00 C ATOM 658 C GLU A 41 42.528 19.716 16.279 1.00 0.00 C ATOM 659 O GLU A 41 42.870 20.677 15.585 1.00 0.00 O ATOM 660 CB GLU A 41 44.888 19.508 17.081 1.00 0.00 C ATOM 661 CG GLU A 41 44.836 20.617 18.120 1.00 0.00 C ATOM 662 CD GLU A 41 46.091 21.450 18.150 1.00 0.00 C ATOM 663 OE1 GLU A 41 47.043 21.082 18.868 1.00 0.00 O ATOM 664 OE2 GLU A 41 46.130 22.494 17.457 1.00 0.00 O ATOM 0 H GLU A 41 43.459 17.768 15.086 1.00 0.00 H new ATOM 0 HA GLU A 41 43.213 18.465 17.881 1.00 0.00 H new ATOM 0 HB2 GLU A 41 45.648 18.783 17.372 1.00 0.00 H new ATOM 0 HB3 GLU A 41 45.199 19.930 16.126 1.00 0.00 H new ATOM 0 HG2 GLU A 41 43.982 21.262 17.913 1.00 0.00 H new ATOM 0 HG3 GLU A 41 44.673 20.179 19.105 1.00 0.00 H new ATOM 671 N ARG A 42 41.276 19.397 16.504 1.00 0.00 N ATOM 672 CA ARG A 42 40.180 20.147 16.015 1.00 0.00 C ATOM 673 C ARG A 42 39.045 20.004 16.979 1.00 0.00 C ATOM 674 O ARG A 42 38.621 18.897 17.320 1.00 0.00 O ATOM 675 CB ARG A 42 39.734 19.659 14.626 1.00 0.00 C ATOM 676 CG ARG A 42 40.620 20.099 13.465 1.00 0.00 C ATOM 677 CD ARG A 42 40.530 21.602 13.211 1.00 0.00 C ATOM 678 NE ARG A 42 41.201 22.391 14.243 1.00 0.00 N ATOM 679 CZ ARG A 42 40.958 23.681 14.479 1.00 0.00 C ATOM 680 NH1 ARG A 42 40.022 24.320 13.788 1.00 0.00 N ATOM 681 NH2 ARG A 42 41.644 24.328 15.413 1.00 0.00 N ATOM 0 H ARG A 42 41.000 18.581 17.050 1.00 0.00 H new ATOM 0 HA ARG A 42 40.483 21.190 15.919 1.00 0.00 H new ATOM 0 HB2 ARG A 42 39.693 18.570 14.638 1.00 0.00 H new ATOM 0 HB3 ARG A 42 38.720 20.014 14.443 1.00 0.00 H new ATOM 0 HG2 ARG A 42 41.655 19.829 13.677 1.00 0.00 H new ATOM 0 HG3 ARG A 42 40.328 19.561 12.563 1.00 0.00 H new ATOM 0 HD2 ARG A 42 40.972 21.829 12.241 1.00 0.00 H new ATOM 0 HD3 ARG A 42 39.481 21.895 13.160 1.00 0.00 H new ATOM 0 HE ARG A 42 41.901 21.924 14.820 1.00 0.00 H new ATOM 0 HH11 ARG A 42 39.487 23.824 13.075 1.00 0.00 H new ATOM 0 HH12 ARG A 42 39.838 25.307 13.970 1.00 0.00 H new ATOM 0 HH21 ARG A 42 42.359 23.839 15.952 1.00 0.00 H new ATOM 0 HH22 ARG A 42 41.457 25.315 15.592 1.00 0.00 H new ATOM 695 N LYS A 43 38.567 21.107 17.400 1.00 0.00 N ATOM 696 CA LYS A 43 37.420 21.183 18.303 1.00 0.00 C ATOM 697 C LYS A 43 36.137 20.741 17.590 1.00 0.00 C ATOM 698 O LYS A 43 35.120 20.514 18.226 1.00 0.00 O ATOM 699 CB LYS A 43 37.258 22.609 18.868 1.00 0.00 C ATOM 700 CG LYS A 43 36.190 22.734 19.950 1.00 0.00 C ATOM 701 CD LYS A 43 36.051 24.168 20.446 1.00 0.00 C ATOM 702 CE LYS A 43 37.329 24.668 21.113 1.00 0.00 C ATOM 703 NZ LYS A 43 37.701 23.844 22.290 1.00 0.00 N ATOM 0 H LYS A 43 38.947 22.017 17.140 1.00 0.00 H new ATOM 0 HA LYS A 43 37.603 20.504 19.136 1.00 0.00 H new ATOM 0 HB2 LYS A 43 38.214 22.937 19.277 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.012 23.286 18.050 1.00 0.00 H new ATOM 0 HG2 LYS A 43 35.233 22.391 19.557 1.00 0.00 H new ATOM 0 HG3 LYS A 43 36.443 22.083 20.787 1.00 0.00 H new ATOM 0 HD2 LYS A 43 35.801 24.819 19.608 1.00 0.00 H new ATOM 0 HD3 LYS A 43 35.225 24.228 21.154 1.00 0.00 H new ATOM 0 HE2 LYS A 43 38.144 24.656 20.390 1.00 0.00 H new ATOM 0 HE3 LYS A 43 37.194 25.704 21.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.435 24.335 22.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 36.863 23.694 22.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 38.066 22.925 21.969 1.00 0.00 H new ATOM 717 N ALA A 44 36.210 20.614 16.263 1.00 0.00 N ATOM 718 CA ALA A 44 35.052 20.212 15.447 1.00 0.00 C ATOM 719 C ALA A 44 34.380 18.946 15.995 1.00 0.00 C ATOM 720 O ALA A 44 33.165 18.915 16.166 1.00 0.00 O ATOM 721 CB ALA A 44 35.446 20.022 13.979 1.00 0.00 C ATOM 0 H ALA A 44 37.060 20.783 15.725 1.00 0.00 H new ATOM 0 HA ALA A 44 34.326 21.023 15.503 1.00 0.00 H new ATOM 0 HB1 ALA A 44 34.570 19.725 13.403 1.00 0.00 H new ATOM 0 HB2 ALA A 44 35.840 20.958 13.584 1.00 0.00 H new ATOM 0 HB3 ALA A 44 36.209 19.247 13.904 1.00 0.00 H new ATOM 727 N LEU A 45 35.172 17.898 16.251 1.00 0.00 N ATOM 728 CA LEU A 45 34.633 16.657 16.812 1.00 0.00 C ATOM 729 C LEU A 45 33.992 16.897 18.172 1.00 0.00 C ATOM 730 O LEU A 45 32.885 16.411 18.443 1.00 0.00 O ATOM 731 CB LEU A 45 35.725 15.591 16.945 1.00 0.00 C ATOM 732 CG LEU A 45 35.275 14.270 17.586 1.00 0.00 C ATOM 733 CD1 LEU A 45 34.286 13.539 16.694 1.00 0.00 C ATOM 734 CD2 LEU A 45 36.469 13.389 17.902 1.00 0.00 C ATOM 0 H LEU A 45 36.178 17.885 16.080 1.00 0.00 H new ATOM 0 HA LEU A 45 33.869 16.299 16.121 1.00 0.00 H new ATOM 0 HB2 LEU A 45 36.125 15.378 15.954 1.00 0.00 H new ATOM 0 HB3 LEU A 45 36.543 16.003 17.536 1.00 0.00 H new ATOM 0 HG LEU A 45 34.770 14.507 18.523 1.00 0.00 H new ATOM 0 HD11 LEU A 45 33.984 12.607 17.172 1.00 0.00 H new ATOM 0 HD12 LEU A 45 33.409 14.165 16.534 1.00 0.00 H new ATOM 0 HD13 LEU A 45 34.755 13.319 15.735 1.00 0.00 H new ATOM 0 HD21 LEU A 45 36.125 12.459 18.355 1.00 0.00 H new ATOM 0 HD22 LEU A 45 37.010 13.166 16.982 1.00 0.00 H new ATOM 0 HD23 LEU A 45 37.131 13.908 18.596 1.00 0.00 H new ATOM 746 N GLU A 46 34.684 17.646 19.024 1.00 0.00 N ATOM 747 CA GLU A 46 34.200 17.951 20.360 1.00 0.00 C ATOM 748 C GLU A 46 32.879 18.693 20.288 1.00 0.00 C ATOM 749 O GLU A 46 31.947 18.377 21.008 1.00 0.00 O ATOM 750 CB GLU A 46 35.229 18.809 21.096 1.00 0.00 C ATOM 751 CG GLU A 46 36.638 18.238 21.082 1.00 0.00 C ATOM 752 CD GLU A 46 36.740 16.916 21.806 1.00 0.00 C ATOM 753 OE1 GLU A 46 36.878 16.928 23.051 1.00 0.00 O ATOM 754 OE2 GLU A 46 36.699 15.866 21.142 1.00 0.00 O ATOM 0 H GLU A 46 35.592 18.056 18.806 1.00 0.00 H new ATOM 0 HA GLU A 46 34.050 17.016 20.900 1.00 0.00 H new ATOM 0 HB2 GLU A 46 35.246 19.802 20.646 1.00 0.00 H new ATOM 0 HB3 GLU A 46 34.909 18.933 22.131 1.00 0.00 H new ATOM 0 HG2 GLU A 46 36.962 18.108 20.050 1.00 0.00 H new ATOM 0 HG3 GLU A 46 37.320 18.953 21.543 1.00 0.00 H new ATOM 761 N ASP A 47 32.820 19.677 19.395 1.00 0.00 N ATOM 762 CA ASP A 47 31.614 20.509 19.192 1.00 0.00 C ATOM 763 C ASP A 47 30.412 19.664 18.744 1.00 0.00 C ATOM 764 O ASP A 47 29.274 20.132 18.743 1.00 0.00 O ATOM 765 CB ASP A 47 31.891 21.629 18.161 1.00 0.00 C ATOM 766 CG ASP A 47 30.854 22.735 18.189 1.00 0.00 C ATOM 767 OD1 ASP A 47 31.007 23.672 19.008 1.00 0.00 O ATOM 768 OD2 ASP A 47 29.904 22.700 17.380 1.00 0.00 O ATOM 0 H ASP A 47 33.600 19.928 18.787 1.00 0.00 H new ATOM 0 HA ASP A 47 31.366 20.963 20.151 1.00 0.00 H new ATOM 0 HB2 ASP A 47 32.875 22.057 18.354 1.00 0.00 H new ATOM 0 HB3 ASP A 47 31.923 21.195 17.162 1.00 0.00 H new ATOM 773 N LYS A 48 30.672 18.422 18.356 1.00 0.00 N ATOM 774 CA LYS A 48 29.610 17.513 17.959 1.00 0.00 C ATOM 775 C LYS A 48 29.180 16.637 19.141 1.00 0.00 C ATOM 776 O LYS A 48 28.000 16.600 19.497 1.00 0.00 O ATOM 777 CB LYS A 48 30.036 16.643 16.756 1.00 0.00 C ATOM 778 CG LYS A 48 30.285 17.434 15.481 1.00 0.00 C ATOM 779 CD LYS A 48 29.025 18.140 15.019 1.00 0.00 C ATOM 780 CE LYS A 48 29.266 18.949 13.759 1.00 0.00 C ATOM 781 NZ LYS A 48 28.042 19.660 13.322 1.00 0.00 N ATOM 0 H LYS A 48 31.610 18.023 18.309 1.00 0.00 H new ATOM 0 HA LYS A 48 28.755 18.113 17.646 1.00 0.00 H new ATOM 0 HB2 LYS A 48 30.943 16.098 17.017 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.262 15.900 16.565 1.00 0.00 H new ATOM 0 HG2 LYS A 48 31.073 18.167 15.653 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.638 16.764 14.697 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.242 17.404 14.835 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.665 18.797 15.810 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.063 19.671 13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 48 29.607 18.288 12.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 28.245 20.202 12.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 27.290 18.969 13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 27.731 20.309 14.073 1.00 0.00 H new ATOM 795 N LEU A 49 30.137 15.920 19.735 1.00 0.00 N ATOM 796 CA LEU A 49 29.856 15.058 20.901 1.00 0.00 C ATOM 797 C LEU A 49 29.390 15.881 22.112 1.00 0.00 C ATOM 798 O LEU A 49 28.617 15.403 22.945 1.00 0.00 O ATOM 799 CB LEU A 49 31.102 14.228 21.279 1.00 0.00 C ATOM 800 CG LEU A 49 30.923 13.240 22.437 1.00 0.00 C ATOM 801 CD1 LEU A 49 29.927 12.148 22.068 1.00 0.00 C ATOM 802 CD2 LEU A 49 32.260 12.633 22.833 1.00 0.00 C ATOM 0 H LEU A 49 31.112 15.914 19.434 1.00 0.00 H new ATOM 0 HA LEU A 49 29.049 14.382 20.618 1.00 0.00 H new ATOM 0 HB2 LEU A 49 31.425 13.672 20.399 1.00 0.00 H new ATOM 0 HB3 LEU A 49 31.908 14.915 21.535 1.00 0.00 H new ATOM 0 HG LEU A 49 30.526 13.787 23.292 1.00 0.00 H new ATOM 0 HD11 LEU A 49 29.816 11.459 22.905 1.00 0.00 H new ATOM 0 HD12 LEU A 49 28.961 12.599 21.839 1.00 0.00 H new ATOM 0 HD13 LEU A 49 30.290 11.604 21.196 1.00 0.00 H new ATOM 0 HD21 LEU A 49 32.113 11.934 23.657 1.00 0.00 H new ATOM 0 HD22 LEU A 49 32.686 12.104 21.980 1.00 0.00 H new ATOM 0 HD23 LEU A 49 32.941 13.425 23.146 1.00 0.00 H new ATOM 814 N ALA A 50 29.844 17.109 22.182 1.00 0.00 N ATOM 815 CA ALA A 50 29.517 17.983 23.287 1.00 0.00 C ATOM 816 C ALA A 50 29.190 19.381 22.802 1.00 0.00 C ATOM 817 O ALA A 50 29.576 19.773 21.710 1.00 0.00 O ATOM 818 CB ALA A 50 30.667 18.026 24.281 1.00 0.00 C ATOM 0 H ALA A 50 30.449 17.532 21.478 1.00 0.00 H new ATOM 0 HA ALA A 50 28.633 17.583 23.783 1.00 0.00 H new ATOM 0 HB1 ALA A 50 30.409 18.687 25.108 1.00 0.00 H new ATOM 0 HB2 ALA A 50 30.855 17.023 24.664 1.00 0.00 H new ATOM 0 HB3 ALA A 50 31.563 18.399 23.785 1.00 0.00 H new ATOM 824 N ASP A 51 28.470 20.118 23.616 1.00 0.00 N ATOM 825 CA ASP A 51 28.124 21.492 23.311 1.00 0.00 C ATOM 826 C ASP A 51 27.824 22.237 24.599 1.00 0.00 C ATOM 827 O ASP A 51 26.997 21.795 25.406 1.00 0.00 O ATOM 828 CB ASP A 51 26.944 21.592 22.313 1.00 0.00 C ATOM 829 CG ASP A 51 25.629 21.065 22.853 1.00 0.00 C ATOM 830 OD1 ASP A 51 25.416 19.829 22.828 1.00 0.00 O ATOM 831 OD2 ASP A 51 24.786 21.879 23.285 1.00 0.00 O ATOM 0 H ASP A 51 28.106 19.784 24.509 1.00 0.00 H new ATOM 0 HA ASP A 51 28.978 21.957 22.820 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.814 22.635 22.024 1.00 0.00 H new ATOM 0 HB3 ASP A 51 27.200 21.041 21.408 1.00 0.00 H new ATOM 836 N TYR A 52 28.526 23.347 24.796 1.00 0.00 N ATOM 837 CA TYR A 52 28.402 24.164 26.003 1.00 0.00 C ATOM 838 C TYR A 52 28.708 23.340 27.252 1.00 0.00 C ATOM 839 O TYR A 52 27.758 22.901 27.933 1.00 0.00 O ATOM 840 CB TYR A 52 27.011 24.800 26.099 1.00 0.00 C ATOM 841 CG TYR A 52 26.727 25.794 25.003 1.00 0.00 C ATOM 842 CD1 TYR A 52 26.112 25.401 23.820 1.00 0.00 C ATOM 843 CD2 TYR A 52 27.080 27.127 25.147 1.00 0.00 C ATOM 844 CE1 TYR A 52 25.859 26.311 22.814 1.00 0.00 C ATOM 845 CE2 TYR A 52 26.828 28.042 24.149 1.00 0.00 C ATOM 846 CZ TYR A 52 26.219 27.630 22.985 1.00 0.00 C ATOM 847 OH TYR A 52 25.965 28.545 21.987 1.00 0.00 O ATOM 848 OXT TYR A 52 29.901 23.117 27.538 1.00 0.00 O ATOM 0 H TYR A 52 29.200 23.709 24.122 1.00 0.00 H new ATOM 0 HA TYR A 52 29.135 24.968 25.938 1.00 0.00 H new ATOM 0 HB2 TYR A 52 26.258 24.013 26.069 1.00 0.00 H new ATOM 0 HB3 TYR A 52 26.914 25.298 27.064 1.00 0.00 H new ATOM 0 HD1 TYR A 52 25.828 24.368 23.686 1.00 0.00 H new ATOM 0 HD2 TYR A 52 27.561 27.453 26.057 1.00 0.00 H new ATOM 0 HE1 TYR A 52 25.382 25.992 21.899 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.107 29.077 24.279 1.00 0.00 H new ATOM 0 HH TYR A 52 26.280 29.430 22.267 1.00 0.00 H new TER 858 TYR A 52