USER MOD reduce.3.24.130724 H: found=0, std=0, add=359, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 358 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -5:sc= 0.828 USER MOD Single : A 13 GLN : amide:sc= -0.487 K(o=-0.49,f=-2.7!) USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= -0.0682 (180deg=-0.544) USER MOD Single : A 17 ASN : amide:sc= -0.0419 K(o=-0.042,f=-1.9!) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= 1.19 (180deg=-0.515) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= -0.0366 (180deg=-0.478) USER MOD ----------------------------------------------------------------- ATOM 21 N VAL A 3 37.379 -20.213 34.430 1.00 0.00 N ATOM 22 CA VAL A 3 36.106 -20.570 35.068 1.00 0.00 C ATOM 23 C VAL A 3 35.018 -19.570 34.686 1.00 0.00 C ATOM 24 O VAL A 3 33.892 -19.646 35.176 1.00 0.00 O ATOM 25 CB VAL A 3 36.257 -20.621 36.596 1.00 0.00 C ATOM 26 CG1 VAL A 3 37.231 -21.740 36.974 1.00 0.00 C ATOM 27 CG2 VAL A 3 36.789 -19.284 37.137 1.00 0.00 C ATOM 0 HA VAL A 3 35.817 -21.560 34.714 1.00 0.00 H new ATOM 0 HB VAL A 3 35.277 -20.812 37.035 1.00 0.00 H new ATOM 0 HG11 VAL A 3 37.339 -21.777 38.058 1.00 0.00 H new ATOM 0 HG12 VAL A 3 36.846 -22.694 36.615 1.00 0.00 H new ATOM 0 HG13 VAL A 3 38.202 -21.546 36.519 1.00 0.00 H new ATOM 0 HG21 VAL A 3 36.888 -19.344 38.221 1.00 0.00 H new ATOM 0 HG22 VAL A 3 37.763 -19.074 36.695 1.00 0.00 H new ATOM 0 HG23 VAL A 3 36.094 -18.485 36.879 1.00 0.00 H new ATOM 37 N GLU A 4 35.366 -18.634 33.808 1.00 0.00 N ATOM 38 CA GLU A 4 34.411 -17.622 33.367 1.00 0.00 C ATOM 39 C GLU A 4 33.276 -18.264 32.571 1.00 0.00 C ATOM 40 O GLU A 4 32.156 -17.756 32.555 1.00 0.00 O ATOM 41 CB GLU A 4 35.112 -16.557 32.513 1.00 0.00 C ATOM 42 CG GLU A 4 36.123 -15.794 33.373 1.00 0.00 C ATOM 43 CD GLU A 4 35.391 -14.950 34.412 1.00 0.00 C ATOM 44 OE1 GLU A 4 34.210 -14.710 34.226 1.00 0.00 O ATOM 45 OE2 GLU A 4 36.025 -14.555 35.376 1.00 0.00 O1- ATOM 0 H GLU A 4 36.293 -18.555 33.391 1.00 0.00 H new ATOM 0 HA GLU A 4 33.991 -17.143 34.252 1.00 0.00 H new ATOM 0 HB2 GLU A 4 35.618 -17.027 31.670 1.00 0.00 H new ATOM 0 HB3 GLU A 4 34.377 -15.867 32.099 1.00 0.00 H new ATOM 0 HG2 GLU A 4 36.794 -16.495 33.869 1.00 0.00 H new ATOM 0 HG3 GLU A 4 36.740 -15.154 32.742 1.00 0.00 H new ATOM 52 N LYS A 5 33.574 -19.380 31.906 1.00 0.00 N ATOM 53 CA LYS A 5 32.561 -20.070 31.111 1.00 0.00 C ATOM 54 C LYS A 5 31.411 -20.552 32.000 1.00 0.00 C ATOM 55 O LYS A 5 30.251 -20.520 31.590 1.00 0.00 O ATOM 56 CB LYS A 5 33.176 -21.255 30.347 1.00 0.00 C ATOM 57 CG LYS A 5 34.099 -20.726 29.248 1.00 0.00 C ATOM 58 CD LYS A 5 34.715 -21.902 28.487 1.00 0.00 C ATOM 59 CE LYS A 5 35.633 -21.373 27.383 1.00 0.00 C ATOM 60 NZ LYS A 5 36.238 -22.519 26.648 1.00 0.00 N1+ ATOM 0 H LYS A 5 34.494 -19.820 31.901 1.00 0.00 H new ATOM 0 HA LYS A 5 32.165 -19.361 30.384 1.00 0.00 H new ATOM 0 HB2 LYS A 5 33.735 -21.892 31.032 1.00 0.00 H new ATOM 0 HB3 LYS A 5 32.388 -21.869 29.911 1.00 0.00 H new ATOM 0 HG2 LYS A 5 33.539 -20.090 28.563 1.00 0.00 H new ATOM 0 HG3 LYS A 5 34.885 -20.110 29.684 1.00 0.00 H new ATOM 0 HD2 LYS A 5 35.280 -22.536 29.171 1.00 0.00 H new ATOM 0 HD3 LYS A 5 33.929 -22.521 28.055 1.00 0.00 H new ATOM 0 HE2 LYS A 5 35.067 -20.744 26.695 1.00 0.00 H new ATOM 0 HE3 LYS A 5 36.416 -20.750 27.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 36.862 -22.160 25.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 36.791 -23.102 27.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 35.484 -23.097 26.224 1.00 0.00 H new ATOM 74 N LEU A 6 31.733 -20.998 33.214 1.00 0.00 N ATOM 75 CA LEU A 6 30.702 -21.478 34.133 1.00 0.00 C ATOM 76 C LEU A 6 29.735 -20.352 34.498 1.00 0.00 C ATOM 77 O LEU A 6 28.534 -20.581 34.645 1.00 0.00 O ATOM 78 CB LEU A 6 31.325 -22.075 35.409 1.00 0.00 C ATOM 79 CG LEU A 6 31.953 -23.438 35.093 1.00 0.00 C ATOM 80 CD1 LEU A 6 33.089 -23.270 34.074 1.00 0.00 C ATOM 81 CD2 LEU A 6 32.504 -24.048 36.385 1.00 0.00 C ATOM 0 H LEU A 6 32.684 -21.037 33.580 1.00 0.00 H new ATOM 0 HA LEU A 6 30.147 -22.266 33.623 1.00 0.00 H new ATOM 0 HB2 LEU A 6 32.082 -21.399 35.805 1.00 0.00 H new ATOM 0 HB3 LEU A 6 30.562 -22.186 36.179 1.00 0.00 H new ATOM 0 HG LEU A 6 31.195 -24.097 34.669 1.00 0.00 H new ATOM 0 HD11 LEU A 6 33.529 -24.243 33.856 1.00 0.00 H new ATOM 0 HD12 LEU A 6 32.693 -22.837 33.156 1.00 0.00 H new ATOM 0 HD13 LEU A 6 33.853 -22.611 34.486 1.00 0.00 H new ATOM 0 HD21 LEU A 6 32.952 -25.018 36.167 1.00 0.00 H new ATOM 0 HD22 LEU A 6 33.260 -23.385 36.807 1.00 0.00 H new ATOM 0 HD23 LEU A 6 31.693 -24.176 37.102 1.00 0.00 H new ATOM 93 N THR A 7 30.258 -19.131 34.645 1.00 0.00 N ATOM 94 CA THR A 7 29.418 -17.985 34.993 1.00 0.00 C ATOM 95 C THR A 7 28.788 -17.378 33.743 1.00 0.00 C ATOM 96 O THR A 7 27.917 -16.512 33.834 1.00 0.00 O ATOM 97 CB THR A 7 30.251 -16.920 35.716 1.00 0.00 C ATOM 98 OG1 THR A 7 31.318 -16.505 34.874 1.00 0.00 O ATOM 99 CG2 THR A 7 30.813 -17.489 37.022 1.00 0.00 C ATOM 0 H THR A 7 31.248 -18.913 34.530 1.00 0.00 H new ATOM 0 HA THR A 7 28.624 -18.333 35.653 1.00 0.00 H new ATOM 0 HB THR A 7 29.616 -16.065 35.949 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.322 -17.049 34.059 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.403 -16.725 37.528 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.991 -17.799 37.667 1.00 0.00 H new ATOM 0 HG23 THR A 7 31.446 -18.349 36.802 1.00 0.00 H new ATOM 107 N ALA A 8 29.232 -17.839 32.579 1.00 0.00 N ATOM 108 CA ALA A 8 28.696 -17.328 31.316 1.00 0.00 C ATOM 109 C ALA A 8 27.208 -17.647 31.201 1.00 0.00 C ATOM 110 O ALA A 8 26.468 -16.950 30.506 1.00 0.00 O ATOM 111 CB ALA A 8 29.450 -17.920 30.116 1.00 0.00 C ATOM 0 H ALA A 8 29.951 -18.555 32.480 1.00 0.00 H new ATOM 0 HA ALA A 8 28.831 -16.246 31.309 1.00 0.00 H new ATOM 0 HB1 ALA A 8 29.031 -17.523 29.191 1.00 0.00 H new ATOM 0 HB2 ALA A 8 30.505 -17.652 30.181 1.00 0.00 H new ATOM 0 HB3 ALA A 8 29.350 -19.005 30.123 1.00 0.00 H new ATOM 117 N ASP A 9 26.773 -18.704 31.884 1.00 0.00 N ATOM 118 CA ASP A 9 25.368 -19.100 31.844 1.00 0.00 C ATOM 119 C ASP A 9 24.485 -18.002 32.433 1.00 0.00 C ATOM 120 O ASP A 9 23.327 -17.852 32.045 1.00 0.00 O ATOM 121 CB ASP A 9 25.148 -20.411 32.612 1.00 0.00 C ATOM 122 CG ASP A 9 25.759 -21.574 31.839 1.00 0.00 C ATOM 123 OD1 ASP A 9 26.084 -21.384 30.678 1.00 0.00 O ATOM 124 OD2 ASP A 9 25.894 -22.640 32.418 1.00 0.00 O1- ATOM 0 H ASP A 9 27.366 -19.296 32.466 1.00 0.00 H new ATOM 0 HA ASP A 9 25.093 -19.256 30.801 1.00 0.00 H new ATOM 0 HB2 ASP A 9 25.600 -20.343 33.601 1.00 0.00 H new ATOM 0 HB3 ASP A 9 24.082 -20.581 32.760 1.00 0.00 H new ATOM 129 N ALA A 10 25.037 -17.236 33.372 1.00 0.00 N ATOM 130 CA ALA A 10 24.279 -16.156 34.003 1.00 0.00 C ATOM 131 C ALA A 10 23.862 -15.118 32.964 1.00 0.00 C ATOM 132 O ALA A 10 22.850 -14.437 33.131 1.00 0.00 O ATOM 133 CB ALA A 10 25.099 -15.480 35.114 1.00 0.00 C ATOM 0 H ALA A 10 25.994 -17.340 33.710 1.00 0.00 H new ATOM 0 HA ALA A 10 23.386 -16.593 34.450 1.00 0.00 H new ATOM 0 HB1 ALA A 10 24.511 -14.681 35.566 1.00 0.00 H new ATOM 0 HB2 ALA A 10 25.356 -16.216 35.876 1.00 0.00 H new ATOM 0 HB3 ALA A 10 26.012 -15.063 34.690 1.00 0.00 H new ATOM 139 N GLU A 11 24.644 -14.998 31.892 1.00 0.00 N ATOM 140 CA GLU A 11 24.331 -14.033 30.841 1.00 0.00 C ATOM 141 C GLU A 11 22.989 -14.362 30.189 1.00 0.00 C ATOM 142 O GLU A 11 22.229 -13.461 29.835 1.00 0.00 O ATOM 143 CB GLU A 11 25.445 -13.995 29.781 1.00 0.00 C ATOM 144 CG GLU A 11 26.699 -13.361 30.386 1.00 0.00 C ATOM 145 CD GLU A 11 27.861 -13.463 29.404 1.00 0.00 C ATOM 146 OE1 GLU A 11 27.723 -14.177 28.425 1.00 0.00 O ATOM 147 OE2 GLU A 11 28.872 -12.825 29.645 1.00 0.00 O1- ATOM 0 H GLU A 11 25.487 -15.549 31.730 1.00 0.00 H new ATOM 0 HA GLU A 11 24.261 -13.047 31.300 1.00 0.00 H new ATOM 0 HB2 GLU A 11 25.666 -15.004 29.433 1.00 0.00 H new ATOM 0 HB3 GLU A 11 25.117 -13.423 28.913 1.00 0.00 H new ATOM 0 HG2 GLU A 11 26.507 -12.316 30.628 1.00 0.00 H new ATOM 0 HG3 GLU A 11 26.956 -13.862 31.319 1.00 0.00 H new ATOM 154 N LEU A 12 22.694 -15.654 30.037 1.00 0.00 N ATOM 155 CA LEU A 12 21.430 -16.070 29.430 1.00 0.00 C ATOM 156 C LEU A 12 20.260 -15.715 30.344 1.00 0.00 C ATOM 157 O LEU A 12 19.147 -15.477 29.875 1.00 0.00 O ATOM 158 CB LEU A 12 21.423 -17.581 29.141 1.00 0.00 C ATOM 159 CG LEU A 12 22.410 -17.919 28.009 1.00 0.00 C ATOM 160 CD1 LEU A 12 22.547 -19.441 27.905 1.00 0.00 C ATOM 161 CD2 LEU A 12 21.907 -17.352 26.663 1.00 0.00 C ATOM 0 H LEU A 12 23.304 -16.421 30.322 1.00 0.00 H new ATOM 0 HA LEU A 12 21.323 -15.538 28.485 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.693 -18.131 30.043 1.00 0.00 H new ATOM 0 HB3 LEU A 12 20.418 -17.899 28.862 1.00 0.00 H new ATOM 0 HG LEU A 12 23.377 -17.470 28.234 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.245 -19.690 27.105 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.921 -19.838 28.849 1.00 0.00 H new ATOM 0 HD13 LEU A 12 21.573 -19.880 27.687 1.00 0.00 H new ATOM 0 HD21 LEU A 12 22.618 -17.601 25.875 1.00 0.00 H new ATOM 0 HD22 LEU A 12 20.936 -17.786 26.426 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.812 -16.269 26.737 1.00 0.00 H new ATOM 173 N GLN A 13 20.517 -15.679 31.649 1.00 0.00 N ATOM 174 CA GLN A 13 19.469 -15.350 32.613 1.00 0.00 C ATOM 175 C GLN A 13 18.940 -13.935 32.366 1.00 0.00 C ATOM 176 O GLN A 13 17.748 -13.679 32.528 1.00 0.00 O ATOM 177 CB GLN A 13 19.982 -15.488 34.063 1.00 0.00 C ATOM 178 CG GLN A 13 18.828 -15.276 35.051 1.00 0.00 C ATOM 179 CD GLN A 13 17.776 -16.367 34.881 1.00 0.00 C ATOM 180 OE1 GLN A 13 16.650 -16.087 34.471 1.00 0.00 O ATOM 181 NE2 GLN A 13 18.079 -17.603 35.174 1.00 0.00 N ATOM 0 H GLN A 13 21.430 -15.871 32.060 1.00 0.00 H new ATOM 0 HA GLN A 13 18.652 -16.058 32.476 1.00 0.00 H new ATOM 0 HB2 GLN A 13 20.420 -16.475 34.210 1.00 0.00 H new ATOM 0 HB3 GLN A 13 20.770 -14.758 34.250 1.00 0.00 H new ATOM 0 HG2 GLN A 13 19.209 -15.285 36.072 1.00 0.00 H new ATOM 0 HG3 GLN A 13 18.376 -14.298 34.888 1.00 0.00 H new ATOM 0 HE21 GLN A 13 19.013 -17.832 35.514 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.382 -18.339 35.063 1.00 0.00 H new ATOM 190 N ARG A 14 19.827 -13.020 31.977 1.00 0.00 N ATOM 191 CA ARG A 14 19.415 -11.642 31.718 1.00 0.00 C ATOM 192 C ARG A 14 18.380 -11.594 30.592 1.00 0.00 C ATOM 193 O ARG A 14 17.437 -10.803 30.646 1.00 0.00 O ATOM 194 CB ARG A 14 20.625 -10.749 31.381 1.00 0.00 C ATOM 195 CG ARG A 14 20.158 -9.301 31.197 1.00 0.00 C ATOM 196 CD ARG A 14 21.364 -8.411 30.895 1.00 0.00 C ATOM 197 NE ARG A 14 22.270 -8.381 32.048 1.00 0.00 N ATOM 198 CZ ARG A 14 23.412 -9.075 32.076 1.00 0.00 C ATOM 199 NH1 ARG A 14 24.196 -8.985 33.115 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 23.746 -9.853 31.081 1.00 0.00 N ATOM 0 H ARG A 14 20.820 -13.204 31.836 1.00 0.00 H new ATOM 0 HA ARG A 14 18.958 -11.253 32.628 1.00 0.00 H new ATOM 0 HB2 ARG A 14 21.365 -10.805 32.180 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.110 -11.104 30.472 1.00 0.00 H new ATOM 0 HG2 ARG A 14 19.436 -9.241 30.383 1.00 0.00 H new ATOM 0 HG3 ARG A 14 19.653 -8.953 32.098 1.00 0.00 H new ATOM 0 HD2 ARG A 14 21.892 -8.786 30.018 1.00 0.00 H new ATOM 0 HD3 ARG A 14 21.030 -7.401 30.659 1.00 0.00 H new ATOM 0 HE ARG A 14 22.020 -7.811 32.856 1.00 0.00 H new ATOM 0 HH11 ARG A 14 23.936 -8.388 33.900 1.00 0.00 H new ATOM 0 HH12 ARG A 14 25.069 -9.512 33.142 1.00 0.00 H new ATOM 0 HH21 ARG A 14 23.132 -9.936 30.270 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.620 -10.377 31.115 1.00 0.00 H new ATOM 214 N LEU A 15 18.550 -12.441 29.576 1.00 0.00 N ATOM 215 CA LEU A 15 17.605 -12.464 28.460 1.00 0.00 C ATOM 216 C LEU A 15 16.214 -12.864 28.951 1.00 0.00 C ATOM 217 O LEU A 15 15.209 -12.348 28.466 1.00 0.00 O ATOM 218 CB LEU A 15 18.070 -13.422 27.344 1.00 0.00 C ATOM 219 CG LEU A 15 19.246 -12.810 26.559 1.00 0.00 C ATOM 220 CD1 LEU A 15 18.790 -11.570 25.764 1.00 0.00 C ATOM 221 CD2 LEU A 15 20.370 -12.420 27.529 1.00 0.00 C ATOM 0 H LEU A 15 19.318 -13.108 29.502 1.00 0.00 H new ATOM 0 HA LEU A 15 17.562 -11.458 28.042 1.00 0.00 H new ATOM 0 HB2 LEU A 15 18.372 -14.375 27.778 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.242 -13.629 26.666 1.00 0.00 H new ATOM 0 HG LEU A 15 19.614 -13.555 25.854 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.638 -11.156 25.218 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.010 -11.857 25.059 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.400 -10.820 26.452 1.00 0.00 H new ATOM 0 HD21 LEU A 15 21.200 -11.988 26.970 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.995 -11.689 28.245 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.715 -13.306 28.062 1.00 0.00 H new ATOM 233 N LYS A 16 16.154 -13.783 29.913 1.00 0.00 N ATOM 234 CA LYS A 16 14.866 -14.221 30.444 1.00 0.00 C ATOM 235 C LYS A 16 14.127 -13.046 31.091 1.00 0.00 C ATOM 236 O LYS A 16 12.909 -12.928 30.962 1.00 0.00 O ATOM 237 CB LYS A 16 15.038 -15.377 31.450 1.00 0.00 C ATOM 238 CG LYS A 16 13.662 -15.835 31.948 1.00 0.00 C ATOM 239 CD LYS A 16 13.835 -17.015 32.906 1.00 0.00 C ATOM 240 CE LYS A 16 12.460 -17.487 33.387 1.00 0.00 C ATOM 241 NZ LYS A 16 11.804 -16.396 34.163 1.00 0.00 N1+ ATOM 0 H LYS A 16 16.967 -14.232 30.334 1.00 0.00 H new ATOM 0 HA LYS A 16 14.268 -14.593 29.612 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.560 -16.209 30.977 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.651 -15.052 32.291 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.154 -15.014 32.453 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.036 -16.126 31.104 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.357 -17.831 32.405 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.448 -16.719 33.757 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.840 -17.765 32.534 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.566 -18.377 34.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.056 -16.798 34.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.511 -15.922 34.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.387 -15.705 33.507 1.00 0.00 H new ATOM 255 N ASN A 17 14.866 -12.179 31.789 1.00 0.00 N ATOM 256 CA ASN A 17 14.249 -11.026 32.446 1.00 0.00 C ATOM 257 C ASN A 17 13.981 -9.909 31.442 1.00 0.00 C ATOM 258 O ASN A 17 13.260 -8.956 31.739 1.00 0.00 O ATOM 259 CB ASN A 17 15.157 -10.496 33.563 1.00 0.00 C ATOM 260 CG ASN A 17 15.201 -11.494 34.715 1.00 0.00 C ATOM 261 OD1 ASN A 17 14.307 -12.331 34.847 1.00 0.00 O ATOM 262 ND2 ASN A 17 16.193 -11.454 35.562 1.00 0.00 N ATOM 0 H ASN A 17 15.876 -12.252 31.912 1.00 0.00 H new ATOM 0 HA ASN A 17 13.302 -11.354 32.874 1.00 0.00 H new ATOM 0 HB2 ASN A 17 16.163 -10.329 33.177 1.00 0.00 H new ATOM 0 HB3 ASN A 17 14.787 -9.534 33.918 1.00 0.00 H new ATOM 0 HD21 ASN A 17 16.230 -12.117 36.336 1.00 0.00 H new ATOM 0 HD22 ASN A 17 16.932 -10.760 35.450 1.00 0.00 H new ATOM 269 N GLU A 18 14.560 -10.031 30.251 1.00 0.00 N ATOM 270 CA GLU A 18 14.365 -9.017 29.215 1.00 0.00 C ATOM 271 C GLU A 18 12.895 -8.951 28.804 1.00 0.00 C ATOM 272 O GLU A 18 12.372 -7.873 28.523 1.00 0.00 O ATOM 273 CB GLU A 18 15.256 -9.287 27.986 1.00 0.00 C ATOM 274 CG GLU A 18 15.080 -8.153 26.971 1.00 0.00 C ATOM 275 CD GLU A 18 16.007 -8.373 25.781 1.00 0.00 C ATOM 276 OE1 GLU A 18 16.721 -9.364 25.786 1.00 0.00 O ATOM 277 OE2 GLU A 18 15.991 -7.548 24.883 1.00 0.00 O1- ATOM 0 H GLU A 18 15.160 -10.810 29.980 1.00 0.00 H new ATOM 0 HA GLU A 18 14.658 -8.054 29.633 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.300 -9.360 28.289 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.989 -10.241 27.532 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.044 -8.113 26.634 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.299 -7.195 27.442 1.00 0.00 H new ATOM 284 N ARG A 19 12.231 -10.109 28.764 1.00 0.00 N ATOM 285 CA ARG A 19 10.820 -10.158 28.378 1.00 0.00 C ATOM 286 C ARG A 19 10.625 -9.529 27.003 1.00 0.00 C ATOM 287 O ARG A 19 9.630 -8.848 26.754 1.00 0.00 O ATOM 288 CB ARG A 19 9.969 -9.416 29.413 1.00 0.00 C ATOM 289 CG ARG A 19 10.075 -10.125 30.764 1.00 0.00 C ATOM 290 CD ARG A 19 9.214 -9.395 31.796 1.00 0.00 C ATOM 291 NE ARG A 19 9.348 -10.029 33.105 1.00 0.00 N ATOM 292 CZ ARG A 19 8.640 -11.109 33.422 1.00 0.00 C ATOM 293 NH1 ARG A 19 8.779 -11.658 34.597 1.00 0.00 N1+ ATOM 294 NH2 ARG A 19 7.807 -11.620 32.557 1.00 0.00 N ATOM 0 H ARG A 19 12.642 -11.014 28.991 1.00 0.00 H new ATOM 0 HA ARG A 19 10.506 -11.201 28.336 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.307 -8.384 29.505 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.929 -9.383 29.088 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.747 -11.160 30.669 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.114 -10.148 31.093 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.516 -8.349 31.858 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.170 -9.407 31.483 1.00 0.00 H new ATOM 0 HE ARG A 19 9.996 -9.636 33.788 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.431 -11.259 35.273 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.236 -12.486 34.840 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.699 -11.191 31.638 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.264 -12.448 32.800 1.00 0.00 H new ATOM 308 N HIS A 20 11.582 -9.768 26.114 1.00 0.00 N ATOM 309 CA HIS A 20 11.513 -9.226 24.758 1.00 0.00 C ATOM 310 C HIS A 20 10.287 -9.764 24.019 1.00 0.00 C ATOM 311 O HIS A 20 9.643 -9.034 23.265 1.00 0.00 O ATOM 312 CB HIS A 20 12.795 -9.537 23.963 1.00 0.00 C ATOM 313 CG HIS A 20 12.662 -8.978 22.572 1.00 0.00 C ATOM 314 ND1 HIS A 20 12.714 -7.617 22.314 1.00 0.00 N ATOM 315 CD2 HIS A 20 12.482 -9.584 21.353 1.00 0.00 C ATOM 316 CE1 HIS A 20 12.566 -7.451 20.987 1.00 0.00 C ATOM 317 NE2 HIS A 20 12.423 -8.616 20.354 1.00 0.00 N ATOM 0 H HIS A 20 12.412 -10.330 26.304 1.00 0.00 H new ATOM 0 HA HIS A 20 11.422 -8.143 24.842 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.661 -9.102 24.462 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.959 -10.614 23.921 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.399 -10.649 21.194 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.563 -6.490 20.494 1.00 0.00 H new ATOM 0 HE2 HIS A 20 12.297 -8.766 19.353 1.00 0.00 H new ATOM 325 N GLU A 21 9.967 -11.042 24.229 1.00 0.00 N ATOM 326 CA GLU A 21 8.813 -11.644 23.561 1.00 0.00 C ATOM 327 C GLU A 21 7.518 -10.944 23.975 1.00 0.00 C ATOM 328 O GLU A 21 6.624 -10.753 23.152 1.00 0.00 O ATOM 329 CB GLU A 21 8.722 -13.153 23.852 1.00 0.00 C ATOM 330 CG GLU A 21 9.842 -13.893 23.113 1.00 0.00 C ATOM 331 CD GLU A 21 9.881 -15.351 23.553 1.00 0.00 C ATOM 332 OE1 GLU A 21 9.255 -15.664 24.555 1.00 0.00 O ATOM 333 OE2 GLU A 21 10.534 -16.136 22.886 1.00 0.00 O1- ATOM 0 H GLU A 21 10.481 -11.671 24.846 1.00 0.00 H new ATOM 0 HA GLU A 21 8.950 -11.514 22.488 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.802 -13.331 24.924 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.751 -13.536 23.537 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.680 -13.833 22.037 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.801 -13.417 23.318 1.00 0.00 H new ATOM 340 N GLU A 22 7.418 -10.554 25.246 1.00 0.00 N ATOM 341 CA GLU A 22 6.218 -9.868 25.722 1.00 0.00 C ATOM 342 C GLU A 22 6.077 -8.516 25.031 1.00 0.00 C ATOM 343 O GLU A 22 4.968 -8.074 24.732 1.00 0.00 O ATOM 344 CB GLU A 22 6.241 -9.686 27.249 1.00 0.00 C ATOM 345 CG GLU A 22 6.072 -11.046 27.925 1.00 0.00 C ATOM 346 CD GLU A 22 6.162 -10.889 29.439 1.00 0.00 C ATOM 347 OE1 GLU A 22 6.492 -9.803 29.883 1.00 0.00 O ATOM 348 OE2 GLU A 22 5.897 -11.858 30.132 1.00 0.00 O1- ATOM 0 H GLU A 22 8.139 -10.698 25.953 1.00 0.00 H new ATOM 0 HA GLU A 22 5.357 -10.489 25.474 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.181 -9.229 27.558 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.442 -9.012 27.558 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.110 -11.480 27.652 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.842 -11.733 27.576 1.00 0.00 H new ATOM 355 N ALA A 23 7.210 -7.865 24.782 1.00 0.00 N ATOM 356 CA ALA A 23 7.198 -6.559 24.124 1.00 0.00 C ATOM 357 C ALA A 23 6.593 -6.670 22.726 1.00 0.00 C ATOM 358 O ALA A 23 6.049 -5.700 22.198 1.00 0.00 O ATOM 359 CB ALA A 23 8.617 -5.975 24.031 1.00 0.00 C ATOM 0 H ALA A 23 8.138 -8.214 25.022 1.00 0.00 H new ATOM 0 HA ALA A 23 6.585 -5.888 24.726 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.579 -5.004 23.538 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.028 -5.857 25.034 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.251 -6.650 23.456 1.00 0.00 H new ATOM 365 N GLU A 24 6.686 -7.858 22.132 1.00 0.00 N ATOM 366 CA GLU A 24 6.134 -8.074 20.797 1.00 0.00 C ATOM 367 C GLU A 24 4.620 -7.856 20.814 1.00 0.00 C ATOM 368 O GLU A 24 4.055 -7.323 19.858 1.00 0.00 O ATOM 369 CB GLU A 24 6.481 -9.485 20.274 1.00 0.00 C ATOM 370 CG GLU A 24 5.921 -9.676 18.860 1.00 0.00 C ATOM 371 CD GLU A 24 6.568 -8.683 17.897 1.00 0.00 C ATOM 372 OE1 GLU A 24 7.636 -8.189 18.216 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.984 -8.433 16.856 1.00 0.00 O1- ATOM 0 H GLU A 24 7.132 -8.676 22.547 1.00 0.00 H new ATOM 0 HA GLU A 24 6.583 -7.351 20.116 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.562 -9.623 20.267 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.068 -10.241 20.942 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.107 -10.695 18.522 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.840 -9.535 18.867 1.00 0.00 H new ATOM 380 N LEU A 25 3.966 -8.267 21.900 1.00 0.00 N ATOM 381 CA LEU A 25 2.518 -8.101 22.011 1.00 0.00 C ATOM 382 C LEU A 25 2.151 -6.617 21.975 1.00 0.00 C ATOM 383 O LEU A 25 1.129 -6.237 21.403 1.00 0.00 O ATOM 384 CB LEU A 25 1.975 -8.746 23.305 1.00 0.00 C ATOM 385 CG LEU A 25 1.992 -10.284 23.205 1.00 0.00 C ATOM 386 CD1 LEU A 25 1.015 -10.774 22.119 1.00 0.00 C ATOM 387 CD2 LEU A 25 3.413 -10.770 22.886 1.00 0.00 C ATOM 0 H LEU A 25 4.408 -8.711 22.705 1.00 0.00 H new ATOM 0 HA LEU A 25 2.059 -8.606 21.161 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.578 -8.427 24.155 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.957 -8.401 23.488 1.00 0.00 H new ATOM 0 HG LEU A 25 1.675 -10.695 24.164 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.045 -11.862 22.067 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.004 -10.450 22.366 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.304 -10.357 21.154 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.419 -11.858 22.817 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.739 -10.344 21.937 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.092 -10.454 23.678 1.00 0.00 H new ATOM 399 N GLU A 26 2.986 -5.780 22.589 1.00 0.00 N ATOM 400 CA GLU A 26 2.730 -4.341 22.616 1.00 0.00 C ATOM 401 C GLU A 26 2.762 -3.751 21.203 1.00 0.00 C ATOM 402 O GLU A 26 2.004 -2.836 20.895 1.00 0.00 O ATOM 403 CB GLU A 26 3.743 -3.615 23.522 1.00 0.00 C ATOM 404 CG GLU A 26 3.398 -2.124 23.588 1.00 0.00 C ATOM 405 CD GLU A 26 4.350 -1.411 24.541 1.00 0.00 C ATOM 406 OE1 GLU A 26 5.213 -2.075 25.092 1.00 0.00 O ATOM 407 OE2 GLU A 26 4.203 -0.211 24.707 1.00 0.00 O1- ATOM 0 H GLU A 26 3.838 -6.070 23.070 1.00 0.00 H new ATOM 0 HA GLU A 26 1.732 -4.191 23.029 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.726 -4.047 24.523 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.753 -3.748 23.135 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.467 -1.682 22.594 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.369 -1.995 23.924 1.00 0.00 H new ATOM 414 N ARG A 27 3.652 -4.265 20.356 1.00 0.00 N ATOM 415 CA ARG A 27 3.778 -3.761 18.983 1.00 0.00 C ATOM 416 C ARG A 27 2.550 -4.102 18.137 1.00 0.00 C ATOM 417 O ARG A 27 2.333 -3.504 17.082 1.00 0.00 O ATOM 418 CB ARG A 27 5.031 -4.334 18.308 1.00 0.00 C ATOM 419 CG ARG A 27 6.289 -3.729 18.943 1.00 0.00 C ATOM 420 CD ARG A 27 7.530 -4.329 18.280 1.00 0.00 C ATOM 421 NE ARG A 27 8.739 -3.758 18.861 1.00 0.00 N ATOM 422 CZ ARG A 27 9.944 -4.130 18.443 1.00 0.00 C ATOM 423 NH1 ARG A 27 11.012 -3.599 18.974 1.00 0.00 N1+ ATOM 424 NH2 ARG A 27 10.060 -5.026 17.502 1.00 0.00 N ATOM 0 H ARG A 27 4.293 -5.023 20.590 1.00 0.00 H new ATOM 0 HA ARG A 27 3.861 -2.676 19.050 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.047 -5.419 18.412 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.011 -4.116 17.240 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.286 -2.646 18.822 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.302 -3.930 20.014 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.532 -5.411 18.409 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.507 -4.136 17.208 1.00 0.00 H new ATOM 0 HE ARG A 27 8.658 -3.061 19.601 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.921 -2.899 19.710 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.937 -3.885 18.653 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.226 -5.441 17.087 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.985 -5.312 17.181 1.00 0.00 H new ATOM 438 N LEU A 28 1.762 -5.072 18.586 1.00 0.00 N ATOM 439 CA LEU A 28 0.571 -5.484 17.834 1.00 0.00 C ATOM 440 C LEU A 28 -0.459 -4.354 17.742 1.00 0.00 C ATOM 441 O LEU A 28 -1.237 -4.302 16.790 1.00 0.00 O ATOM 442 CB LEU A 28 -0.089 -6.722 18.464 1.00 0.00 C ATOM 443 CG LEU A 28 0.797 -7.968 18.274 1.00 0.00 C ATOM 444 CD1 LEU A 28 0.199 -9.130 19.074 1.00 0.00 C ATOM 445 CD2 LEU A 28 0.875 -8.354 16.780 1.00 0.00 C ATOM 0 H LEU A 28 1.918 -5.585 19.454 1.00 0.00 H new ATOM 0 HA LEU A 28 0.909 -5.733 16.828 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.258 -6.549 19.527 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.065 -6.891 18.009 1.00 0.00 H new ATOM 0 HG LEU A 28 1.804 -7.748 18.628 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.819 -10.017 18.946 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.161 -8.863 20.130 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.809 -9.338 18.716 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.505 -9.236 16.665 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.126 -8.572 16.408 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.301 -7.527 16.212 1.00 0.00 H new ATOM 457 N LYS A 29 -0.486 -3.467 18.737 1.00 0.00 N ATOM 458 CA LYS A 29 -1.464 -2.373 18.730 1.00 0.00 C ATOM 459 C LYS A 29 -1.362 -1.566 17.438 1.00 0.00 C ATOM 460 O LYS A 29 -2.353 -1.007 16.968 1.00 0.00 O ATOM 461 CB LYS A 29 -1.255 -1.440 19.937 1.00 0.00 C ATOM 462 CG LYS A 29 0.029 -0.612 19.773 1.00 0.00 C ATOM 463 CD LYS A 29 0.252 0.229 21.031 1.00 0.00 C ATOM 464 CE LYS A 29 1.524 1.063 20.869 1.00 0.00 C ATOM 465 NZ LYS A 29 1.742 1.881 22.094 1.00 0.00 N1+ ATOM 0 H LYS A 29 0.141 -3.480 19.541 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.457 -2.818 18.796 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.112 -0.774 20.040 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.198 -2.029 20.852 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.881 -1.271 19.606 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.050 0.034 18.899 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.604 0.882 21.201 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.338 -0.419 21.904 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.380 0.410 20.698 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.438 1.711 19.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.607 2.448 21.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.929 2.514 22.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.842 1.253 22.917 1.00 0.00 H new ATOM 479 N SER A 30 -0.163 -1.511 16.868 1.00 0.00 N ATOM 480 CA SER A 30 0.048 -0.768 15.630 1.00 0.00 C ATOM 481 C SER A 30 -0.801 -1.355 14.501 1.00 0.00 C ATOM 482 O SER A 30 -1.329 -0.617 13.669 1.00 0.00 O ATOM 483 CB SER A 30 1.532 -0.766 15.238 1.00 0.00 C ATOM 484 OG SER A 30 2.270 -0.033 16.207 1.00 0.00 O ATOM 0 H SER A 30 0.671 -1.967 17.239 1.00 0.00 H new ATOM 0 HA SER A 30 -0.261 0.264 15.798 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.905 -1.788 15.176 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.659 -0.319 14.252 1.00 0.00 H new ATOM 0 HG SER A 30 3.219 -0.030 15.962 1.00 0.00 H new ATOM 490 N GLU A 31 -0.937 -2.681 14.475 1.00 0.00 N ATOM 491 CA GLU A 31 -1.734 -3.331 13.437 1.00 0.00 C ATOM 492 C GLU A 31 -3.197 -2.887 13.540 1.00 0.00 C ATOM 493 O GLU A 31 -3.875 -2.718 12.527 1.00 0.00 O ATOM 494 CB GLU A 31 -1.630 -4.866 13.532 1.00 0.00 C ATOM 495 CG GLU A 31 -2.434 -5.522 12.402 1.00 0.00 C ATOM 496 CD GLU A 31 -1.850 -5.136 11.047 1.00 0.00 C ATOM 497 OE1 GLU A 31 -0.696 -4.743 11.011 1.00 0.00 O ATOM 498 OE2 GLU A 31 -2.567 -5.238 10.064 1.00 0.00 O1- ATOM 0 H GLU A 31 -0.512 -3.317 15.150 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.339 -3.029 12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.586 -5.172 13.470 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.004 -5.204 14.498 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.419 -6.606 12.517 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.477 -5.210 12.459 1.00 0.00 H new ATOM 505 N ALA A 32 -3.680 -2.709 14.772 1.00 0.00 N ATOM 506 CA ALA A 32 -5.068 -2.297 14.991 1.00 0.00 C ATOM 507 C ALA A 32 -5.335 -0.932 14.366 1.00 0.00 C ATOM 508 O ALA A 32 -6.485 -0.573 14.107 1.00 0.00 O ATOM 509 CB ALA A 32 -5.389 -2.240 16.492 1.00 0.00 C ATOM 0 H ALA A 32 -3.137 -2.842 15.625 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.710 -3.038 14.515 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.425 -1.932 16.631 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.241 -3.226 16.933 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.729 -1.522 16.978 1.00 0.00 H new ATOM 515 N ALA A 33 -4.275 -0.170 14.125 1.00 0.00 N ATOM 516 CA ALA A 33 -4.424 1.157 13.530 1.00 0.00 C ATOM 517 C ALA A 33 -5.093 1.054 12.161 1.00 0.00 C ATOM 518 O ALA A 33 -5.850 1.941 11.767 1.00 0.00 O ATOM 519 CB ALA A 33 -3.067 1.873 13.405 1.00 0.00 C ATOM 0 H ALA A 33 -3.313 -0.441 14.329 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.057 1.749 14.192 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.214 2.857 12.959 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.623 1.986 14.394 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.402 1.284 12.773 1.00 0.00 H new ATOM 525 N ASP A 34 -4.813 -0.028 11.436 1.00 0.00 N ATOM 526 CA ASP A 34 -5.402 -0.217 10.113 1.00 0.00 C ATOM 527 C ASP A 34 -6.927 -0.302 10.203 1.00 0.00 C ATOM 528 O ASP A 34 -7.632 0.188 9.320 1.00 0.00 O ATOM 529 CB ASP A 34 -4.843 -1.480 9.436 1.00 0.00 C ATOM 530 CG ASP A 34 -3.391 -1.251 9.029 1.00 0.00 C ATOM 531 OD1 ASP A 34 -2.962 -0.108 9.044 1.00 0.00 O ATOM 532 OD2 ASP A 34 -2.726 -2.223 8.708 1.00 0.00 O1- ATOM 0 H ASP A 34 -4.190 -0.777 11.738 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.136 0.648 9.506 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.909 -2.328 10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.441 -1.728 8.559 1.00 0.00 H new ATOM 537 N HIS A 35 -7.438 -0.924 11.269 1.00 0.00 N ATOM 538 CA HIS A 35 -8.886 -1.060 11.442 1.00 0.00 C ATOM 539 C HIS A 35 -9.461 0.147 12.179 1.00 0.00 C ATOM 540 O HIS A 35 -10.678 0.300 12.280 1.00 0.00 O ATOM 541 CB HIS A 35 -9.201 -2.334 12.233 1.00 0.00 C ATOM 542 CG HIS A 35 -8.690 -3.532 11.481 1.00 0.00 C ATOM 543 ND1 HIS A 35 -9.280 -3.975 10.308 1.00 0.00 N ATOM 544 CD2 HIS A 35 -7.645 -4.390 11.722 1.00 0.00 C ATOM 545 CE1 HIS A 35 -8.593 -5.054 9.890 1.00 0.00 C ATOM 546 NE2 HIS A 35 -7.586 -5.349 10.716 1.00 0.00 N ATOM 0 H HIS A 35 -6.879 -1.336 12.016 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.342 -1.118 10.454 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.739 -2.286 13.219 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.276 -2.421 12.389 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.972 -4.329 12.564 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.827 -5.613 8.996 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.917 -6.114 10.628 1.00 0.00 H new ATOM 554 N ASP A 36 -8.581 1.004 12.685 1.00 0.00 N ATOM 555 CA ASP A 36 -9.024 2.198 13.405 1.00 0.00 C ATOM 556 C ASP A 36 -9.562 3.241 12.428 1.00 0.00 C ATOM 557 O ASP A 36 -10.197 4.214 12.833 1.00 0.00 O ATOM 558 CB ASP A 36 -7.871 2.804 14.213 1.00 0.00 C ATOM 559 CG ASP A 36 -7.529 1.896 15.390 1.00 0.00 C ATOM 560 OD1 ASP A 36 -8.310 1.003 15.672 1.00 0.00 O ATOM 561 OD2 ASP A 36 -6.494 2.113 15.999 1.00 0.00 O1- ATOM 0 H ASP A 36 -7.569 0.899 12.613 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.819 1.901 14.089 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.996 2.932 13.575 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.150 3.794 14.575 1.00 0.00 H new ATOM 566 N LYS A 37 -9.297 3.032 11.141 1.00 0.00 N ATOM 567 CA LYS A 37 -9.756 3.965 10.115 1.00 0.00 C ATOM 568 C LYS A 37 -11.278 4.072 10.111 1.00 0.00 C ATOM 569 O LYS A 37 -11.836 5.096 9.717 1.00 0.00 O ATOM 570 CB LYS A 37 -9.256 3.514 8.736 1.00 0.00 C ATOM 571 CG LYS A 37 -9.876 2.159 8.375 1.00 0.00 C ATOM 572 CD LYS A 37 -9.317 1.689 7.030 1.00 0.00 C ATOM 573 CE LYS A 37 -9.996 0.379 6.625 1.00 0.00 C ATOM 574 NZ LYS A 37 -9.688 -0.671 7.639 1.00 0.00 N1+ ATOM 0 H LYS A 37 -8.772 2.233 10.786 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.348 4.950 10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.519 4.257 7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.169 3.437 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.653 1.426 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.961 2.246 8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.487 2.450 6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.239 1.545 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.074 0.523 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.647 0.064 5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.494 -1.572 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.854 -0.387 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.501 -0.787 8.277 1.00 0.00 H new ATOM 588 N LYS A 38 -11.945 3.012 10.554 1.00 0.00 N ATOM 589 CA LYS A 38 -13.405 3.006 10.597 1.00 0.00 C ATOM 590 C LYS A 38 -13.915 4.094 11.543 1.00 0.00 C ATOM 591 O LYS A 38 -14.937 4.725 11.278 1.00 0.00 O ATOM 592 CB LYS A 38 -13.939 1.629 11.027 1.00 0.00 C ATOM 593 CG LYS A 38 -13.697 0.622 9.900 1.00 0.00 C ATOM 594 CD LYS A 38 -13.995 -0.805 10.383 1.00 0.00 C ATOM 595 CE LYS A 38 -15.501 -0.996 10.592 1.00 0.00 C ATOM 596 NZ LYS A 38 -15.782 -2.435 10.860 1.00 0.00 N1+ ATOM 0 H LYS A 38 -11.505 2.154 10.885 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.774 3.214 9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.440 1.300 11.938 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.004 1.692 11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.330 0.863 9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.664 0.689 9.560 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.629 -1.527 9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.465 -0.998 11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.844 -0.385 11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.047 -0.665 9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.804 -2.569 11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.468 -3.007 10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.271 -2.735 11.715 1.00 0.00 H new ATOM 610 N GLU A 39 -13.200 4.312 12.645 1.00 0.00 N ATOM 611 CA GLU A 39 -13.598 5.330 13.613 1.00 0.00 C ATOM 612 C GLU A 39 -13.550 6.722 12.983 1.00 0.00 C ATOM 613 O GLU A 39 -14.353 7.592 13.323 1.00 0.00 O ATOM 614 CB GLU A 39 -12.700 5.284 14.859 1.00 0.00 C ATOM 615 CG GLU A 39 -12.992 4.006 15.647 1.00 0.00 C ATOM 616 CD GLU A 39 -12.006 3.867 16.801 1.00 0.00 C ATOM 617 OE1 GLU A 39 -11.046 4.619 16.829 1.00 0.00 O ATOM 618 OE2 GLU A 39 -12.224 3.009 17.642 1.00 0.00 O1- ATOM 0 H GLU A 39 -12.350 3.803 12.888 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.623 5.118 13.918 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.651 5.312 14.566 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.880 6.159 15.484 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.012 4.031 16.031 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.920 3.139 14.990 1.00 0.00 H new ATOM 625 N ALA A 40 -12.601 6.935 12.073 1.00 0.00 N ATOM 626 CA ALA A 40 -12.465 8.236 11.418 1.00 0.00 C ATOM 627 C ALA A 40 -13.733 8.595 10.648 1.00 0.00 C ATOM 628 O ALA A 40 -14.023 9.772 10.433 1.00 0.00 O ATOM 629 CB ALA A 40 -11.261 8.247 10.461 1.00 0.00 C ATOM 0 H ALA A 40 -11.923 6.234 11.775 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.303 8.980 12.198 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.182 9.225 9.987 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.349 8.041 11.021 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.397 7.483 9.696 1.00 0.00 H new ATOM 635 N GLU A 41 -14.491 7.582 10.232 1.00 0.00 N ATOM 636 CA GLU A 41 -15.722 7.829 9.489 1.00 0.00 C ATOM 637 C GLU A 41 -16.713 8.620 10.343 1.00 0.00 C ATOM 638 O GLU A 41 -17.436 9.475 9.831 1.00 0.00 O ATOM 639 CB GLU A 41 -16.358 6.510 9.018 1.00 0.00 C ATOM 640 CG GLU A 41 -15.487 5.889 7.924 1.00 0.00 C ATOM 641 CD GLU A 41 -16.014 4.505 7.560 1.00 0.00 C ATOM 642 OE1 GLU A 41 -16.864 4.009 8.280 1.00 0.00 O ATOM 643 OE2 GLU A 41 -15.560 3.962 6.567 1.00 0.00 O1- ATOM 0 H GLU A 41 -14.278 6.598 10.394 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.470 8.418 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -16.455 5.820 9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.363 6.693 8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -15.485 6.530 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.455 5.815 8.267 1.00 0.00 H new ATOM 650 N ARG A 42 -16.741 8.339 11.646 1.00 0.00 N ATOM 651 CA ARG A 42 -17.649 9.046 12.546 1.00 0.00 C ATOM 652 C ARG A 42 -17.332 10.544 12.560 1.00 0.00 C ATOM 653 O ARG A 42 -18.236 11.376 12.626 1.00 0.00 O ATOM 654 CB ARG A 42 -17.583 8.471 13.974 1.00 0.00 C ATOM 655 CG ARG A 42 -18.568 9.224 14.869 1.00 0.00 C ATOM 656 CD ARG A 42 -18.630 8.550 16.240 1.00 0.00 C ATOM 657 NE ARG A 42 -19.233 7.227 16.125 1.00 0.00 N ATOM 658 CZ ARG A 42 -19.336 6.424 17.180 1.00 0.00 C ATOM 659 NH1 ARG A 42 -19.879 5.245 17.052 1.00 0.00 N1+ ATOM 660 NH2 ARG A 42 -18.890 6.815 18.343 1.00 0.00 N ATOM 0 H ARG A 42 -16.154 7.637 12.096 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.664 8.905 12.174 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -17.825 7.408 13.962 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.571 8.563 14.369 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -18.257 10.263 14.977 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -19.557 9.233 14.412 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -17.627 8.465 16.657 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -19.211 9.164 16.929 1.00 0.00 H new ATOM 0 HE ARG A 42 -19.582 6.912 15.220 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -20.225 4.939 16.143 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -19.958 4.629 17.861 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.463 7.736 18.442 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -18.969 6.200 19.153 1.00 0.00 H new ATOM 674 N LYS A 43 -16.042 10.883 12.504 1.00 0.00 N ATOM 675 CA LYS A 43 -15.625 12.286 12.518 1.00 0.00 C ATOM 676 C LYS A 43 -16.076 13.005 11.247 1.00 0.00 C ATOM 677 O LYS A 43 -16.201 14.229 11.230 1.00 0.00 O ATOM 678 CB LYS A 43 -14.101 12.387 12.644 1.00 0.00 C ATOM 679 CG LYS A 43 -13.671 11.895 14.028 1.00 0.00 C ATOM 680 CD LYS A 43 -12.149 11.998 14.157 1.00 0.00 C ATOM 681 CE LYS A 43 -11.725 11.555 15.559 1.00 0.00 C ATOM 682 NZ LYS A 43 -12.084 10.122 15.757 1.00 0.00 N1+ ATOM 0 H LYS A 43 -15.275 10.212 12.449 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.094 12.764 13.378 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.621 11.790 11.869 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.781 13.418 12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.153 12.490 14.803 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.990 10.863 14.174 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.666 11.373 13.405 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.826 13.023 13.975 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.651 11.693 15.686 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.217 12.172 16.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.531 9.732 16.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.098 10.045 15.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.873 9.588 14.890 1.00 0.00 H new ATOM 696 N ALA A 44 -16.312 12.240 10.187 1.00 0.00 N ATOM 697 CA ALA A 44 -16.741 12.830 8.917 1.00 0.00 C ATOM 698 C ALA A 44 -18.074 13.557 9.083 1.00 0.00 C ATOM 699 O ALA A 44 -18.403 14.453 8.307 1.00 0.00 O ATOM 700 CB ALA A 44 -16.874 11.756 7.828 1.00 0.00 C ATOM 0 H ALA A 44 -16.216 11.225 10.177 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.978 13.547 8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.194 12.221 6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -15.911 11.268 7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.612 11.015 8.136 1.00 0.00 H new ATOM 706 N LEU A 45 -18.839 13.165 10.100 1.00 0.00 N ATOM 707 CA LEU A 45 -20.134 13.795 10.351 1.00 0.00 C ATOM 708 C LEU A 45 -19.955 15.283 10.658 1.00 0.00 C ATOM 709 O LEU A 45 -20.754 16.111 10.219 1.00 0.00 O ATOM 710 CB LEU A 45 -20.887 13.082 11.496 1.00 0.00 C ATOM 711 CG LEU A 45 -22.242 13.763 11.753 1.00 0.00 C ATOM 712 CD1 LEU A 45 -23.118 13.703 10.491 1.00 0.00 C ATOM 713 CD2 LEU A 45 -22.947 13.035 12.905 1.00 0.00 C ATOM 0 H LEU A 45 -18.590 12.424 10.756 1.00 0.00 H new ATOM 0 HA LEU A 45 -20.738 13.701 9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.042 12.034 11.240 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -20.285 13.103 12.404 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.080 14.809 12.012 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.074 14.189 10.688 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.612 14.215 9.672 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -23.290 12.662 10.217 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.910 13.507 13.099 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -23.103 11.991 12.634 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -22.330 13.089 13.802 1.00 0.00 H new ATOM 725 N GLU A 46 -18.908 15.623 11.412 1.00 0.00 N ATOM 726 CA GLU A 46 -18.657 17.020 11.758 1.00 0.00 C ATOM 727 C GLU A 46 -18.384 17.844 10.499 1.00 0.00 C ATOM 728 O GLU A 46 -18.786 19.004 10.412 1.00 0.00 O ATOM 729 CB GLU A 46 -17.479 17.141 12.737 1.00 0.00 C ATOM 730 CG GLU A 46 -17.892 16.584 14.100 1.00 0.00 C ATOM 731 CD GLU A 46 -16.690 16.550 15.037 1.00 0.00 C ATOM 732 OE1 GLU A 46 -15.584 16.743 14.557 1.00 0.00 O ATOM 733 OE2 GLU A 46 -16.891 16.333 16.220 1.00 0.00 O1- ATOM 0 H GLU A 46 -18.230 14.960 11.789 1.00 0.00 H new ATOM 0 HA GLU A 46 -19.550 17.411 12.246 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.617 16.595 12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.178 18.184 12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -18.681 17.201 14.530 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -18.300 15.580 13.983 1.00 0.00 H new