USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 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 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0617) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.43) USER MOD Single : A 20 HIS : no HD1:sc= -0.0872 X(o=-0.087,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.0132 (180deg=-0.034) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-4.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= -0.0545 (180deg=-0.281) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0995) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -0.0775 (180deg=-0.45) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.634 -17.693 11.119 1.00 0.00 N ATOM 2 CA GLY A 1 -3.322 -17.274 11.651 1.00 0.00 C ATOM 3 C GLY A 1 -3.463 -16.409 12.882 1.00 0.00 C ATOM 4 O GLY A 1 -4.299 -15.510 12.920 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.494 -18.284 10.275 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.144 -18.238 11.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.190 -16.852 10.864 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.730 -18.157 11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.777 -16.726 10.883 1.00 0.00 H new ATOM 10 N SER A 2 -2.648 -16.673 13.882 1.00 0.00 N ATOM 11 CA SER A 2 -2.692 -15.927 15.122 1.00 0.00 C ATOM 12 C SER A 2 -1.753 -14.719 15.082 1.00 0.00 C ATOM 13 O SER A 2 -2.111 -13.634 15.533 1.00 0.00 O ATOM 14 CB SER A 2 -2.331 -16.840 16.287 1.00 0.00 C ATOM 15 OG SER A 2 -3.185 -17.973 16.319 1.00 0.00 O ATOM 0 H SER A 2 -1.940 -17.407 13.859 1.00 0.00 H new ATOM 0 HA SER A 2 -3.707 -15.552 15.258 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.294 -17.162 16.195 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.412 -16.291 17.225 1.00 0.00 H new ATOM 0 HG SER A 2 -2.937 -18.548 17.073 1.00 0.00 H new ATOM 21 N VAL A 3 -0.561 -14.904 14.528 1.00 0.00 N ATOM 22 CA VAL A 3 0.424 -13.823 14.469 1.00 0.00 C ATOM 23 C VAL A 3 0.201 -12.950 13.226 1.00 0.00 C ATOM 24 O VAL A 3 0.794 -11.878 13.085 1.00 0.00 O ATOM 25 CB VAL A 3 1.879 -14.378 14.478 1.00 0.00 C ATOM 26 CG1 VAL A 3 2.225 -15.052 13.156 1.00 0.00 C ATOM 27 CG2 VAL A 3 2.886 -13.283 14.813 1.00 0.00 C ATOM 0 H VAL A 3 -0.251 -15.784 14.115 1.00 0.00 H new ATOM 0 HA VAL A 3 0.289 -13.209 15.360 1.00 0.00 H new ATOM 0 HB VAL A 3 1.935 -15.135 15.261 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.247 -15.428 13.196 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.540 -15.881 12.980 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.136 -14.329 12.345 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.892 -13.701 14.812 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.822 -12.490 14.068 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.664 -12.874 15.799 1.00 0.00 H new ATOM 37 N GLU A 4 -0.674 -13.414 12.345 1.00 0.00 N ATOM 38 CA GLU A 4 -0.969 -12.697 11.114 1.00 0.00 C ATOM 39 C GLU A 4 -1.657 -11.372 11.398 1.00 0.00 C ATOM 40 O GLU A 4 -1.073 -10.315 11.151 1.00 0.00 O ATOM 41 CB GLU A 4 -1.782 -13.573 10.146 1.00 0.00 C ATOM 42 CG GLU A 4 -1.025 -14.794 9.658 1.00 0.00 C ATOM 43 CD GLU A 4 0.218 -14.428 8.884 1.00 0.00 C ATOM 44 OE1 GLU A 4 0.101 -14.115 7.682 1.00 0.00 O ATOM 45 OE2 GLU A 4 1.319 -14.459 9.466 1.00 0.00 O ATOM 0 H GLU A 4 -1.192 -14.285 12.461 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.023 -12.466 10.624 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.697 -13.896 10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.080 -12.972 9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.749 -15.413 10.512 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.679 -15.396 9.027 1.00 0.00 H new ATOM 52 N LYS A 5 -2.904 -11.418 11.901 1.00 0.00 N ATOM 53 CA LYS A 5 -3.641 -10.201 12.239 1.00 0.00 C ATOM 54 C LYS A 5 -3.883 -9.382 10.981 1.00 0.00 C ATOM 55 O LYS A 5 -4.062 -8.166 11.045 1.00 0.00 O ATOM 56 CB LYS A 5 -2.883 -9.370 13.285 1.00 0.00 C ATOM 57 CG LYS A 5 -2.640 -10.098 14.597 1.00 0.00 C ATOM 58 CD LYS A 5 -1.809 -9.254 15.547 1.00 0.00 C ATOM 59 CE LYS A 5 -1.525 -9.991 16.846 1.00 0.00 C ATOM 60 NZ LYS A 5 -2.755 -10.212 17.647 1.00 0.00 N ATOM 0 H LYS A 5 -3.415 -12.283 12.079 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.601 -10.484 12.671 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.923 -9.067 12.867 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.445 -8.458 13.486 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.595 -10.342 15.063 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.130 -11.042 14.403 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.868 -8.985 15.067 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.334 -8.324 15.763 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.062 -10.952 16.622 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.807 -9.421 17.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.498 -10.594 18.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.257 -9.309 17.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.373 -10.888 17.155 1.00 0.00 H new ATOM 74 N LEU A 6 -3.863 -10.083 9.828 1.00 0.00 N ATOM 75 CA LEU A 6 -4.080 -9.497 8.501 1.00 0.00 C ATOM 76 C LEU A 6 -2.826 -8.822 7.955 1.00 0.00 C ATOM 77 O LEU A 6 -2.692 -8.654 6.747 1.00 0.00 O ATOM 78 CB LEU A 6 -5.268 -8.525 8.487 1.00 0.00 C ATOM 79 CG LEU A 6 -6.634 -9.145 8.773 1.00 0.00 C ATOM 80 CD1 LEU A 6 -7.691 -8.065 8.891 1.00 0.00 C ATOM 81 CD2 LEU A 6 -7.003 -10.138 7.680 1.00 0.00 C ATOM 0 H LEU A 6 -3.692 -11.088 9.799 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.321 -10.329 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.083 -7.743 9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.306 -8.041 7.511 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.582 -9.679 9.722 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.659 -8.524 9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.431 -7.389 9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.745 -7.505 7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.979 -10.572 7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.040 -9.625 6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.255 -10.930 7.640 1.00 0.00 H new ATOM 93 N THR A 7 -1.907 -8.447 8.830 1.00 0.00 N ATOM 94 CA THR A 7 -0.742 -7.772 8.411 1.00 0.00 C ATOM 95 C THR A 7 0.418 -8.050 9.406 1.00 0.00 C ATOM 96 O THR A 7 0.465 -7.484 10.503 1.00 0.00 O ATOM 97 CB THR A 7 -1.002 -6.237 8.275 1.00 0.00 C ATOM 98 OG1 THR A 7 0.216 -5.543 7.965 1.00 0.00 O ATOM 99 CG2 THR A 7 -1.631 -5.653 9.533 1.00 0.00 C ATOM 0 H THR A 7 -1.968 -8.611 9.835 1.00 0.00 H new ATOM 0 HA THR A 7 -0.458 -8.147 7.428 1.00 0.00 H new ATOM 0 HB THR A 7 -1.709 -6.102 7.456 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.034 -4.584 7.882 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.795 -4.584 9.395 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.585 -6.144 9.725 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.964 -5.812 10.381 1.00 0.00 H new ATOM 107 N ALA A 8 1.314 -8.935 9.045 1.00 0.00 N ATOM 108 CA ALA A 8 2.517 -9.161 9.824 1.00 0.00 C ATOM 109 C ALA A 8 3.743 -8.880 8.973 1.00 0.00 C ATOM 110 O ALA A 8 4.807 -8.521 9.484 1.00 0.00 O ATOM 111 CB ALA A 8 2.551 -10.585 10.360 1.00 0.00 C ATOM 0 H ALA A 8 1.236 -9.517 8.211 1.00 0.00 H new ATOM 0 HA ALA A 8 2.516 -8.481 10.676 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.461 -10.733 10.941 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.682 -10.755 10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.534 -11.288 9.527 1.00 0.00 H new ATOM 117 N ASP A 9 3.571 -9.011 7.663 1.00 0.00 N ATOM 118 CA ASP A 9 4.665 -8.801 6.705 1.00 0.00 C ATOM 119 C ASP A 9 5.068 -7.336 6.671 1.00 0.00 C ATOM 120 O ASP A 9 6.246 -7.003 6.602 1.00 0.00 O ATOM 121 CB ASP A 9 4.261 -9.274 5.295 1.00 0.00 C ATOM 122 CG ASP A 9 5.376 -9.116 4.279 1.00 0.00 C ATOM 123 OD1 ASP A 9 6.233 -10.020 4.184 1.00 0.00 O ATOM 124 OD2 ASP A 9 5.387 -8.100 3.553 1.00 0.00 O ATOM 0 H ASP A 9 2.682 -9.263 7.232 1.00 0.00 H new ATOM 0 HA ASP A 9 5.519 -9.393 7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.963 -10.321 5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.390 -8.709 4.963 1.00 0.00 H new ATOM 129 N ALA A 10 4.079 -6.467 6.748 1.00 0.00 N ATOM 130 CA ALA A 10 4.316 -5.023 6.725 1.00 0.00 C ATOM 131 C ALA A 10 5.085 -4.562 7.959 1.00 0.00 C ATOM 132 O ALA A 10 5.786 -3.554 7.916 1.00 0.00 O ATOM 133 CB ALA A 10 3.004 -4.249 6.595 1.00 0.00 C ATOM 0 H ALA A 10 3.097 -6.730 6.828 1.00 0.00 H new ATOM 0 HA ALA A 10 4.928 -4.812 5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.213 -3.179 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.504 -4.534 5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.359 -4.482 7.442 1.00 0.00 H new ATOM 139 N GLU A 11 4.981 -5.315 9.049 1.00 0.00 N ATOM 140 CA GLU A 11 5.676 -4.946 10.278 1.00 0.00 C ATOM 141 C GLU A 11 7.123 -5.395 10.209 1.00 0.00 C ATOM 142 O GLU A 11 8.037 -4.633 10.530 1.00 0.00 O ATOM 143 CB GLU A 11 4.994 -5.535 11.523 1.00 0.00 C ATOM 144 CG GLU A 11 5.704 -5.181 12.818 1.00 0.00 C ATOM 145 CD GLU A 11 4.993 -5.703 14.040 1.00 0.00 C ATOM 146 OE1 GLU A 11 4.169 -4.959 14.614 1.00 0.00 O ATOM 147 OE2 GLU A 11 5.256 -6.857 14.439 1.00 0.00 O ATOM 0 H GLU A 11 4.431 -6.172 9.108 1.00 0.00 H new ATOM 0 HA GLU A 11 5.636 -3.860 10.368 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.966 -5.176 11.570 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.949 -6.620 11.426 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.716 -5.584 12.793 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.794 -4.097 12.892 1.00 0.00 H new ATOM 154 N LEU A 12 7.327 -6.629 9.773 1.00 0.00 N ATOM 155 CA LEU A 12 8.676 -7.162 9.618 1.00 0.00 C ATOM 156 C LEU A 12 9.449 -6.366 8.565 1.00 0.00 C ATOM 157 O LEU A 12 10.675 -6.253 8.632 1.00 0.00 O ATOM 158 CB LEU A 12 8.668 -8.689 9.309 1.00 0.00 C ATOM 159 CG LEU A 12 7.960 -9.172 8.022 1.00 0.00 C ATOM 160 CD1 LEU A 12 8.834 -8.980 6.795 1.00 0.00 C ATOM 161 CD2 LEU A 12 7.551 -10.632 8.159 1.00 0.00 C ATOM 0 H LEU A 12 6.582 -7.278 9.521 1.00 0.00 H new ATOM 0 HA LEU A 12 9.194 -7.047 10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.704 -9.025 9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.204 -9.197 10.154 1.00 0.00 H new ATOM 0 HG LEU A 12 7.066 -8.564 7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.302 -9.331 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.072 -7.923 6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.757 -9.548 6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.054 -10.958 7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.437 -11.244 8.328 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.869 -10.741 9.002 1.00 0.00 H new ATOM 173 N GLN A 13 8.721 -5.795 7.607 1.00 0.00 N ATOM 174 CA GLN A 13 9.337 -4.956 6.583 1.00 0.00 C ATOM 175 C GLN A 13 9.661 -3.585 7.163 1.00 0.00 C ATOM 176 O GLN A 13 10.699 -3.003 6.859 1.00 0.00 O ATOM 177 CB GLN A 13 8.439 -4.822 5.349 1.00 0.00 C ATOM 178 CG GLN A 13 9.106 -4.099 4.190 1.00 0.00 C ATOM 179 CD GLN A 13 8.278 -4.147 2.930 1.00 0.00 C ATOM 180 OE1 GLN A 13 8.395 -5.080 2.138 1.00 0.00 O ATOM 181 NE2 GLN A 13 7.447 -3.147 2.727 1.00 0.00 N ATOM 0 H GLN A 13 7.710 -5.898 7.519 1.00 0.00 H new ATOM 0 HA GLN A 13 10.261 -5.436 6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.135 -5.816 5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.531 -4.287 5.627 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.282 -3.059 4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.081 -4.547 3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.381 -2.392 3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.869 -3.127 1.887 1.00 0.00 H new ATOM 190 N ARG A 14 8.771 -3.082 8.015 1.00 0.00 N ATOM 191 CA ARG A 14 9.002 -1.804 8.705 1.00 0.00 C ATOM 192 C ARG A 14 10.238 -1.948 9.587 1.00 0.00 C ATOM 193 O ARG A 14 11.040 -1.026 9.722 1.00 0.00 O ATOM 194 CB ARG A 14 7.756 -1.401 9.549 1.00 0.00 C ATOM 195 CG ARG A 14 7.850 -0.036 10.251 1.00 0.00 C ATOM 196 CD ARG A 14 8.672 -0.100 11.537 1.00 0.00 C ATOM 197 NE ARG A 14 8.114 -1.052 12.504 1.00 0.00 N ATOM 198 CZ ARG A 14 8.798 -1.586 13.527 1.00 0.00 C ATOM 199 NH1 ARG A 14 10.078 -1.273 13.713 1.00 0.00 N ATOM 200 NH2 ARG A 14 8.196 -2.430 14.363 1.00 0.00 N ATOM 0 H ARG A 14 7.886 -3.533 8.247 1.00 0.00 H new ATOM 0 HA ARG A 14 9.167 -1.012 7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.882 -1.396 8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.586 -2.168 10.304 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.298 0.689 9.572 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.846 0.321 10.482 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.696 -0.386 11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.715 0.891 11.989 1.00 0.00 H new ATOM 0 HE ARG A 14 7.138 -1.327 12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.542 -0.625 13.077 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.595 -1.681 14.492 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.214 -2.671 14.226 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.717 -2.836 15.141 1.00 0.00 H new ATOM 214 N LEU A 15 10.371 -3.124 10.174 1.00 0.00 N ATOM 215 CA LEU A 15 11.515 -3.463 11.003 1.00 0.00 C ATOM 216 C LEU A 15 12.800 -3.407 10.174 1.00 0.00 C ATOM 217 O LEU A 15 13.840 -2.945 10.643 1.00 0.00 O ATOM 218 CB LEU A 15 11.325 -4.862 11.584 1.00 0.00 C ATOM 219 CG LEU A 15 12.418 -5.354 12.521 1.00 0.00 C ATOM 220 CD1 LEU A 15 12.442 -4.528 13.797 1.00 0.00 C ATOM 221 CD2 LEU A 15 12.210 -6.824 12.831 1.00 0.00 C ATOM 0 H LEU A 15 9.686 -3.875 10.089 1.00 0.00 H new ATOM 0 HA LEU A 15 11.595 -2.743 11.818 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.377 -4.884 12.122 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.239 -5.567 10.758 1.00 0.00 H new ATOM 0 HG LEU A 15 13.384 -5.236 12.029 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.230 -4.896 14.454 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.633 -3.483 13.551 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.480 -4.612 14.303 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.996 -7.169 13.502 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.240 -6.962 13.308 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.244 -7.399 11.906 1.00 0.00 H new ATOM 233 N LYS A 16 12.700 -3.862 8.928 1.00 0.00 N ATOM 234 CA LYS A 16 13.835 -3.842 8.000 1.00 0.00 C ATOM 235 C LYS A 16 14.208 -2.400 7.671 1.00 0.00 C ATOM 236 O LYS A 16 15.391 -2.052 7.571 1.00 0.00 O ATOM 237 CB LYS A 16 13.495 -4.605 6.705 1.00 0.00 C ATOM 238 CG LYS A 16 14.657 -4.732 5.735 1.00 0.00 C ATOM 239 CD LYS A 16 14.230 -5.426 4.452 1.00 0.00 C ATOM 240 CE LYS A 16 15.396 -5.580 3.495 1.00 0.00 C ATOM 241 NZ LYS A 16 14.990 -6.197 2.206 1.00 0.00 N ATOM 0 H LYS A 16 11.843 -4.251 8.534 1.00 0.00 H new ATOM 0 HA LYS A 16 14.682 -4.335 8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.143 -5.603 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.671 -4.098 6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.050 -3.742 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.465 -5.294 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.817 -6.407 4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.436 -4.853 3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.838 -4.602 3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.167 -6.193 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.820 -6.282 1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.592 -7.141 2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.273 -5.600 1.746 1.00 0.00 H new ATOM 255 N ASN A 17 13.187 -1.559 7.537 1.00 0.00 N ATOM 256 CA ASN A 17 13.384 -0.141 7.242 1.00 0.00 C ATOM 257 C ASN A 17 14.045 0.527 8.427 1.00 0.00 C ATOM 258 O ASN A 17 15.029 1.249 8.281 1.00 0.00 O ATOM 259 CB ASN A 17 12.050 0.563 6.963 1.00 0.00 C ATOM 260 CG ASN A 17 11.263 -0.041 5.818 1.00 0.00 C ATOM 261 OD1 ASN A 17 11.825 -0.617 4.889 1.00 0.00 O ATOM 262 ND2 ASN A 17 9.954 0.105 5.873 1.00 0.00 N ATOM 0 H ASN A 17 12.209 -1.836 7.628 1.00 0.00 H new ATOM 0 HA ASN A 17 14.011 -0.064 6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.440 0.534 7.866 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.244 1.613 6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.368 -0.267 5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.528 0.590 6.663 1.00 0.00 H new ATOM 269 N GLU A 18 13.495 0.261 9.609 1.00 0.00 N ATOM 270 CA GLU A 18 14.001 0.812 10.859 1.00 0.00 C ATOM 271 C GLU A 18 15.459 0.411 11.059 1.00 0.00 C ATOM 272 O GLU A 18 16.269 1.188 11.561 1.00 0.00 O ATOM 273 CB GLU A 18 13.157 0.299 12.031 1.00 0.00 C ATOM 274 CG GLU A 18 13.289 1.122 13.300 1.00 0.00 C ATOM 275 CD GLU A 18 12.659 2.489 13.158 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.483 2.648 13.561 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.314 3.400 12.633 1.00 0.00 O ATOM 0 H GLU A 18 12.683 -0.345 9.725 1.00 0.00 H new ATOM 0 HA GLU A 18 13.937 1.899 10.817 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.110 0.282 11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.443 -0.730 12.247 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.819 0.590 14.127 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.344 1.233 13.551 1.00 0.00 H new ATOM 284 N ARG A 19 15.783 -0.806 10.645 1.00 0.00 N ATOM 285 CA ARG A 19 17.144 -1.318 10.754 1.00 0.00 C ATOM 286 C ARG A 19 18.096 -0.459 9.923 1.00 0.00 C ATOM 287 O ARG A 19 19.198 -0.139 10.358 1.00 0.00 O ATOM 288 CB ARG A 19 17.223 -2.786 10.296 1.00 0.00 C ATOM 289 CG ARG A 19 18.523 -3.480 10.668 1.00 0.00 C ATOM 290 CD ARG A 19 18.665 -3.588 12.175 1.00 0.00 C ATOM 291 NE ARG A 19 19.857 -4.330 12.569 1.00 0.00 N ATOM 292 CZ ARG A 19 20.030 -4.881 13.770 1.00 0.00 C ATOM 293 NH1 ARG A 19 19.078 -4.789 14.693 1.00 0.00 N ATOM 294 NH2 ARG A 19 21.149 -5.527 14.044 1.00 0.00 N ATOM 0 H ARG A 19 15.120 -1.460 10.229 1.00 0.00 H new ATOM 0 HA ARG A 19 17.440 -1.272 11.802 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.391 -3.338 10.733 1.00 0.00 H new ATOM 0 HB3 ARG A 19 17.099 -2.826 9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.549 -4.475 10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.367 -2.925 10.258 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.704 -2.588 12.606 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.783 -4.078 12.586 1.00 0.00 H new ATOM 0 HE ARG A 19 20.605 -4.434 11.883 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.211 -4.295 14.483 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.215 -5.212 15.611 1.00 0.00 H new ATOM 0 HH21 ARG A 19 21.880 -5.604 13.337 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.282 -5.949 14.963 1.00 0.00 H new ATOM 308 N HIS A 20 17.655 -0.083 8.727 1.00 0.00 N ATOM 309 CA HIS A 20 18.462 0.763 7.844 1.00 0.00 C ATOM 310 C HIS A 20 18.581 2.173 8.397 1.00 0.00 C ATOM 311 O HIS A 20 19.613 2.824 8.240 1.00 0.00 O ATOM 312 CB HIS A 20 17.884 0.810 6.424 1.00 0.00 C ATOM 313 CG HIS A 20 17.959 -0.494 5.699 1.00 0.00 C ATOM 314 ND1 HIS A 20 16.921 -1.003 4.951 1.00 0.00 N ATOM 315 CD2 HIS A 20 18.964 -1.393 5.601 1.00 0.00 C ATOM 316 CE1 HIS A 20 17.282 -2.153 4.427 1.00 0.00 C ATOM 317 NE2 HIS A 20 18.518 -2.415 4.805 1.00 0.00 N ATOM 0 H HIS A 20 16.747 -0.348 8.345 1.00 0.00 H new ATOM 0 HA HIS A 20 19.455 0.317 7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 20 16.842 1.127 6.476 1.00 0.00 H new ATOM 0 HB3 HIS A 20 18.419 1.566 5.849 1.00 0.00 H new ATOM 0 HD2 HIS A 20 19.937 -1.319 6.064 1.00 0.00 H new ATOM 0 HE1 HIS A 20 16.670 -2.778 3.794 1.00 0.00 H new ATOM 0 HE2 HIS A 20 19.054 -3.243 4.547 1.00 0.00 H new ATOM 325 N GLU A 21 17.524 2.645 9.043 1.00 0.00 N ATOM 326 CA GLU A 21 17.526 3.975 9.640 1.00 0.00 C ATOM 327 C GLU A 21 18.567 4.059 10.742 1.00 0.00 C ATOM 328 O GLU A 21 19.291 5.048 10.856 1.00 0.00 O ATOM 329 CB GLU A 21 16.146 4.325 10.191 1.00 0.00 C ATOM 330 CG GLU A 21 15.051 4.319 9.139 1.00 0.00 C ATOM 331 CD GLU A 21 15.290 5.329 8.041 1.00 0.00 C ATOM 332 OE1 GLU A 21 14.568 6.338 7.992 1.00 0.00 O ATOM 333 OE2 GLU A 21 16.199 5.118 7.216 1.00 0.00 O ATOM 0 H GLU A 21 16.654 2.128 9.168 1.00 0.00 H new ATOM 0 HA GLU A 21 17.778 4.696 8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.887 3.615 10.977 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.188 5.311 10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.979 3.323 8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.093 4.527 9.616 1.00 0.00 H new ATOM 340 N GLU A 22 18.667 2.999 11.527 1.00 0.00 N ATOM 341 CA GLU A 22 19.631 2.957 12.614 1.00 0.00 C ATOM 342 C GLU A 22 21.044 2.796 12.060 1.00 0.00 C ATOM 343 O GLU A 22 22.010 3.288 12.648 1.00 0.00 O ATOM 344 CB GLU A 22 19.308 1.822 13.605 1.00 0.00 C ATOM 345 CG GLU A 22 20.193 1.811 14.848 1.00 0.00 C ATOM 346 CD GLU A 22 20.079 3.087 15.661 1.00 0.00 C ATOM 347 OE1 GLU A 22 18.971 3.389 16.144 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.109 3.782 15.845 1.00 0.00 O ATOM 0 H GLU A 22 18.095 2.160 11.433 1.00 0.00 H new ATOM 0 HA GLU A 22 19.570 3.900 13.157 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.266 1.909 13.914 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.409 0.866 13.091 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.922 0.961 15.474 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.231 1.668 14.548 1.00 0.00 H new ATOM 355 N ALA A 23 21.165 2.156 10.893 1.00 0.00 N ATOM 356 CA ALA A 23 22.475 1.938 10.279 1.00 0.00 C ATOM 357 C ALA A 23 22.963 3.216 9.622 1.00 0.00 C ATOM 358 O ALA A 23 24.164 3.400 9.394 1.00 0.00 O ATOM 359 CB ALA A 23 22.427 0.795 9.261 1.00 0.00 C ATOM 0 H ALA A 23 20.379 1.784 10.360 1.00 0.00 H new ATOM 0 HA ALA A 23 23.176 1.655 11.064 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.415 0.657 8.822 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.120 -0.124 9.760 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.711 1.037 8.475 1.00 0.00 H new ATOM 365 N GLU A 24 22.020 4.098 9.316 1.00 0.00 N ATOM 366 CA GLU A 24 22.350 5.395 8.755 1.00 0.00 C ATOM 367 C GLU A 24 23.002 6.225 9.842 1.00 0.00 C ATOM 368 O GLU A 24 24.047 6.827 9.637 1.00 0.00 O ATOM 369 CB GLU A 24 21.090 6.111 8.215 1.00 0.00 C ATOM 370 CG GLU A 24 21.368 7.475 7.601 1.00 0.00 C ATOM 371 CD GLU A 24 22.143 7.387 6.309 1.00 0.00 C ATOM 372 OE1 GLU A 24 21.510 7.381 5.235 1.00 0.00 O ATOM 373 OE2 GLU A 24 23.387 7.316 6.353 1.00 0.00 O ATOM 0 H GLU A 24 21.022 3.936 9.448 1.00 0.00 H new ATOM 0 HA GLU A 24 23.031 5.265 7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.617 5.476 7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.375 6.229 9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.423 7.986 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 24 21.926 8.082 8.314 1.00 0.00 H new ATOM 380 N LEU A 25 22.381 6.215 11.016 1.00 0.00 N ATOM 381 CA LEU A 25 22.898 6.919 12.177 1.00 0.00 C ATOM 382 C LEU A 25 24.275 6.372 12.558 1.00 0.00 C ATOM 383 O LEU A 25 25.156 7.117 12.978 1.00 0.00 O ATOM 384 CB LEU A 25 21.927 6.776 13.348 1.00 0.00 C ATOM 385 CG LEU A 25 20.478 7.183 13.059 1.00 0.00 C ATOM 386 CD1 LEU A 25 19.598 6.935 14.272 1.00 0.00 C ATOM 387 CD2 LEU A 25 20.403 8.643 12.631 1.00 0.00 C ATOM 0 H LEU A 25 21.506 5.719 11.187 1.00 0.00 H new ATOM 0 HA LEU A 25 23.001 7.976 11.933 1.00 0.00 H new ATOM 0 HB2 LEU A 25 21.935 5.737 13.679 1.00 0.00 H new ATOM 0 HB3 LEU A 25 22.296 7.378 14.179 1.00 0.00 H new ATOM 0 HG LEU A 25 20.110 6.567 12.238 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.574 7.231 14.045 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.622 5.876 14.528 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.966 7.520 15.115 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.365 8.911 12.431 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.794 9.276 13.427 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.996 8.788 11.728 1.00 0.00 H new ATOM 399 N GLU A 26 24.429 5.059 12.432 1.00 0.00 N ATOM 400 CA GLU A 26 25.721 4.402 12.669 1.00 0.00 C ATOM 401 C GLU A 26 26.815 5.047 11.814 1.00 0.00 C ATOM 402 O GLU A 26 27.826 5.529 12.332 1.00 0.00 O ATOM 403 CB GLU A 26 25.652 2.903 12.369 1.00 0.00 C ATOM 404 CG GLU A 26 24.854 2.095 13.376 1.00 0.00 C ATOM 405 CD GLU A 26 24.921 0.617 13.093 1.00 0.00 C ATOM 406 OE1 GLU A 26 24.168 0.137 12.227 1.00 0.00 O ATOM 407 OE2 GLU A 26 25.741 -0.074 13.727 1.00 0.00 O ATOM 0 H GLU A 26 23.677 4.422 12.167 1.00 0.00 H new ATOM 0 HA GLU A 26 25.963 4.530 13.724 1.00 0.00 H new ATOM 0 HB2 GLU A 26 25.214 2.763 11.381 1.00 0.00 H new ATOM 0 HB3 GLU A 26 26.667 2.507 12.327 1.00 0.00 H new ATOM 0 HG2 GLU A 26 25.233 2.290 14.379 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.814 2.421 13.360 1.00 0.00 H new ATOM 414 N ARG A 27 26.584 5.069 10.510 1.00 0.00 N ATOM 415 CA ARG A 27 27.530 5.662 9.559 1.00 0.00 C ATOM 416 C ARG A 27 27.640 7.173 9.777 1.00 0.00 C ATOM 417 O ARG A 27 28.723 7.751 9.675 1.00 0.00 O ATOM 418 CB ARG A 27 27.096 5.361 8.111 1.00 0.00 C ATOM 419 CG ARG A 27 27.935 6.048 7.045 1.00 0.00 C ATOM 420 CD ARG A 27 27.474 5.650 5.650 1.00 0.00 C ATOM 421 NE ARG A 27 26.033 5.866 5.460 1.00 0.00 N ATOM 422 CZ ARG A 27 25.246 5.083 4.713 1.00 0.00 C ATOM 423 NH1 ARG A 27 25.751 4.026 4.095 1.00 0.00 N ATOM 424 NH2 ARG A 27 23.955 5.354 4.602 1.00 0.00 N ATOM 0 H ARG A 27 25.745 4.682 10.078 1.00 0.00 H new ATOM 0 HA ARG A 27 28.510 5.217 9.729 1.00 0.00 H new ATOM 0 HB2 ARG A 27 27.137 4.284 7.949 1.00 0.00 H new ATOM 0 HB3 ARG A 27 26.056 5.662 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 27 27.863 7.129 7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 27 28.984 5.782 7.175 1.00 0.00 H new ATOM 0 HD2 ARG A 27 28.027 6.226 4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 27 27.708 4.600 5.477 1.00 0.00 H new ATOM 0 HE ARG A 27 25.605 6.665 5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 27 26.743 3.807 4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 27 25.148 3.431 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 27 23.560 6.160 5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 27 23.356 4.757 4.032 1.00 0.00 H new ATOM 438 N LEU A 28 26.521 7.788 10.111 1.00 0.00 N ATOM 439 CA LEU A 28 26.455 9.235 10.325 1.00 0.00 C ATOM 440 C LEU A 28 27.375 9.660 11.465 1.00 0.00 C ATOM 441 O LEU A 28 28.170 10.586 11.318 1.00 0.00 O ATOM 442 CB LEU A 28 25.008 9.680 10.616 1.00 0.00 C ATOM 443 CG LEU A 28 24.790 11.182 10.793 1.00 0.00 C ATOM 444 CD1 LEU A 28 25.059 11.924 9.493 1.00 0.00 C ATOM 445 CD2 LEU A 28 23.379 11.452 11.285 1.00 0.00 C ATOM 0 H LEU A 28 25.631 7.307 10.243 1.00 0.00 H new ATOM 0 HA LEU A 28 26.791 9.723 9.410 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.372 9.335 9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 28 24.669 9.175 11.521 1.00 0.00 H new ATOM 0 HG LEU A 28 25.494 11.548 11.540 1.00 0.00 H new ATOM 0 HD11 LEU A 28 24.897 12.991 9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 28 26.090 11.753 9.183 1.00 0.00 H new ATOM 0 HD13 LEU A 28 24.383 11.560 8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 28 23.236 12.526 11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 28 22.661 11.070 10.559 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.226 10.954 12.242 1.00 0.00 H new ATOM 457 N LYS A 29 27.279 8.962 12.595 1.00 0.00 N ATOM 458 CA LYS A 29 28.099 9.281 13.762 1.00 0.00 C ATOM 459 C LYS A 29 29.572 8.998 13.494 1.00 0.00 C ATOM 460 O LYS A 29 30.444 9.567 14.138 1.00 0.00 O ATOM 461 CB LYS A 29 27.633 8.501 15.001 1.00 0.00 C ATOM 462 CG LYS A 29 26.173 8.729 15.381 1.00 0.00 C ATOM 463 CD LYS A 29 25.857 8.182 16.776 1.00 0.00 C ATOM 464 CE LYS A 29 26.214 6.702 16.916 1.00 0.00 C ATOM 465 NZ LYS A 29 25.392 5.832 16.034 1.00 0.00 N ATOM 0 H LYS A 29 26.644 8.175 12.727 1.00 0.00 H new ATOM 0 HA LYS A 29 27.979 10.346 13.958 1.00 0.00 H new ATOM 0 HB2 LYS A 29 27.787 7.437 14.824 1.00 0.00 H new ATOM 0 HB3 LYS A 29 28.263 8.778 15.847 1.00 0.00 H new ATOM 0 HG2 LYS A 29 25.952 9.796 15.350 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.527 8.248 14.647 1.00 0.00 H new ATOM 0 HD2 LYS A 29 26.405 8.757 17.522 1.00 0.00 H new ATOM 0 HD3 LYS A 29 24.796 8.318 16.985 1.00 0.00 H new ATOM 0 HE2 LYS A 29 27.269 6.562 16.678 1.00 0.00 H new ATOM 0 HE3 LYS A 29 26.077 6.395 17.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 25.729 4.851 16.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 24.396 5.878 16.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 25.475 6.158 15.050 1.00 0.00 H new ATOM 479 N SER A 30 29.842 8.132 12.530 1.00 0.00 N ATOM 480 CA SER A 30 31.214 7.773 12.191 1.00 0.00 C ATOM 481 C SER A 30 31.860 8.865 11.332 1.00 0.00 C ATOM 482 O SER A 30 33.059 9.128 11.436 1.00 0.00 O ATOM 483 CB SER A 30 31.259 6.414 11.461 1.00 0.00 C ATOM 484 OG SER A 30 32.596 5.992 11.225 1.00 0.00 O ATOM 0 H SER A 30 29.131 7.664 11.968 1.00 0.00 H new ATOM 0 HA SER A 30 31.781 7.682 13.118 1.00 0.00 H new ATOM 0 HB2 SER A 30 30.739 5.663 12.056 1.00 0.00 H new ATOM 0 HB3 SER A 30 30.728 6.492 10.512 1.00 0.00 H new ATOM 0 HG SER A 30 32.590 5.128 10.763 1.00 0.00 H new ATOM 490 N GLU A 31 31.058 9.500 10.494 1.00 0.00 N ATOM 491 CA GLU A 31 31.553 10.552 9.621 1.00 0.00 C ATOM 492 C GLU A 31 31.561 11.889 10.344 1.00 0.00 C ATOM 493 O GLU A 31 32.583 12.573 10.401 1.00 0.00 O ATOM 494 CB GLU A 31 30.700 10.637 8.357 1.00 0.00 C ATOM 495 CG GLU A 31 30.629 9.333 7.580 1.00 0.00 C ATOM 496 CD GLU A 31 31.995 8.812 7.195 1.00 0.00 C ATOM 497 OE1 GLU A 31 32.559 9.295 6.194 1.00 0.00 O ATOM 498 OE2 GLU A 31 32.513 7.912 7.881 1.00 0.00 O ATOM 0 H GLU A 31 30.061 9.306 10.399 1.00 0.00 H new ATOM 0 HA GLU A 31 32.577 10.309 9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 31 29.690 10.942 8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 31 31.103 11.415 7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 31 30.114 8.583 8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 31 30.034 9.483 6.679 1.00 0.00 H new ATOM 505 N ARG A 32 30.415 12.242 10.924 1.00 0.00 N ATOM 506 CA ARG A 32 30.253 13.498 11.660 1.00 0.00 C ATOM 507 C ARG A 32 31.210 13.574 12.854 1.00 0.00 C ATOM 508 O ARG A 32 31.446 14.646 13.393 1.00 0.00 O ATOM 509 CB ARG A 32 28.809 13.672 12.136 1.00 0.00 C ATOM 510 CG ARG A 32 27.770 13.812 11.020 1.00 0.00 C ATOM 511 CD ARG A 32 27.986 15.069 10.180 1.00 0.00 C ATOM 512 NE ARG A 32 28.719 14.801 8.933 1.00 0.00 N ATOM 513 CZ ARG A 32 29.043 15.739 8.030 1.00 0.00 C ATOM 514 NH1 ARG A 32 28.725 17.011 8.240 1.00 0.00 N ATOM 515 NH2 ARG A 32 29.676 15.400 6.915 1.00 0.00 N ATOM 0 H ARG A 32 29.573 11.667 10.898 1.00 0.00 H new ATOM 0 HA ARG A 32 30.496 14.309 10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 32 28.541 12.816 12.755 1.00 0.00 H new ATOM 0 HB3 ARG A 32 28.757 14.555 12.773 1.00 0.00 H new ATOM 0 HG2 ARG A 32 27.813 12.935 10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 32 26.772 13.837 11.457 1.00 0.00 H new ATOM 0 HD2 ARG A 32 27.019 15.511 9.940 1.00 0.00 H new ATOM 0 HD3 ARG A 32 28.535 15.804 10.768 1.00 0.00 H new ATOM 0 HE ARG A 32 28.999 13.839 8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 32 28.232 17.280 9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 32 28.974 17.720 7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.918 14.424 6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 32 29.921 16.115 6.230 1.00 0.00 H new ATOM 529 N HIS A 33 31.718 12.419 13.273 1.00 0.00 N ATOM 530 CA HIS A 33 32.636 12.306 14.415 1.00 0.00 C ATOM 531 C HIS A 33 33.822 13.290 14.312 1.00 0.00 C ATOM 532 O HIS A 33 34.310 13.769 15.315 1.00 0.00 O ATOM 533 CB HIS A 33 33.163 10.870 14.503 1.00 0.00 C ATOM 534 CG HIS A 33 33.698 10.489 15.848 1.00 0.00 C ATOM 535 ND1 HIS A 33 33.094 9.549 16.653 1.00 0.00 N ATOM 536 CD2 HIS A 33 34.795 10.903 16.520 1.00 0.00 C ATOM 537 CE1 HIS A 33 33.793 9.401 17.758 1.00 0.00 C ATOM 538 NE2 HIS A 33 34.834 10.212 17.705 1.00 0.00 N ATOM 0 H HIS A 33 31.506 11.525 12.830 1.00 0.00 H new ATOM 0 HA HIS A 33 32.078 12.562 15.316 1.00 0.00 H new ATOM 0 HB2 HIS A 33 32.359 10.184 14.238 1.00 0.00 H new ATOM 0 HB3 HIS A 33 33.951 10.739 13.762 1.00 0.00 H new ATOM 0 HD2 HIS A 33 35.509 11.641 16.186 1.00 0.00 H new ATOM 0 HE1 HIS A 33 33.556 8.730 18.570 1.00 0.00 H new ATOM 0 HE2 HIS A 33 35.549 10.309 18.426 1.00 0.00 H new ATOM 546 N ASP A 34 34.277 13.562 13.094 1.00 0.00 N ATOM 547 CA ASP A 34 35.410 14.499 12.877 1.00 0.00 C ATOM 548 C ASP A 34 34.911 15.933 12.704 1.00 0.00 C ATOM 549 O ASP A 34 35.682 16.890 12.715 1.00 0.00 O ATOM 550 CB ASP A 34 36.259 14.058 11.663 1.00 0.00 C ATOM 551 CG ASP A 34 37.469 14.947 11.415 1.00 0.00 C ATOM 552 OD1 ASP A 34 38.305 15.092 12.327 1.00 0.00 O ATOM 553 OD2 ASP A 34 37.599 15.484 10.291 1.00 0.00 O ATOM 0 H ASP A 34 33.893 13.159 12.239 1.00 0.00 H new ATOM 0 HA ASP A 34 36.045 14.472 13.763 1.00 0.00 H new ATOM 0 HB2 ASP A 34 36.596 13.033 11.818 1.00 0.00 H new ATOM 0 HB3 ASP A 34 35.631 14.055 10.772 1.00 0.00 H new ATOM 558 N HIS A 35 33.616 16.063 12.571 1.00 0.00 N ATOM 559 CA HIS A 35 32.991 17.360 12.356 1.00 0.00 C ATOM 560 C HIS A 35 32.562 17.968 13.677 1.00 0.00 C ATOM 561 O HIS A 35 32.158 19.129 13.735 1.00 0.00 O ATOM 562 CB HIS A 35 31.797 17.238 11.409 1.00 0.00 C ATOM 563 CG HIS A 35 32.176 16.737 10.054 1.00 0.00 C ATOM 564 ND1 HIS A 35 32.071 15.415 9.685 1.00 0.00 N ATOM 565 CD2 HIS A 35 32.684 17.382 8.983 1.00 0.00 C ATOM 566 CE1 HIS A 35 32.503 15.270 8.446 1.00 0.00 C ATOM 567 NE2 HIS A 35 32.877 16.445 8.000 1.00 0.00 N ATOM 0 H HIS A 35 32.961 15.282 12.607 1.00 0.00 H new ATOM 0 HA HIS A 35 33.725 18.019 11.894 1.00 0.00 H new ATOM 0 HB2 HIS A 35 31.061 16.564 11.847 1.00 0.00 H new ATOM 0 HB3 HIS A 35 31.318 18.212 11.309 1.00 0.00 H new ATOM 0 HD2 HIS A 35 32.898 18.438 8.913 1.00 0.00 H new ATOM 0 HE1 HIS A 35 32.542 14.342 7.894 1.00 0.00 H new ATOM 0 HE2 HIS A 35 33.252 16.632 7.070 1.00 0.00 H new ATOM 575 N ASP A 36 32.679 17.181 14.746 1.00 0.00 N ATOM 576 CA ASP A 36 32.262 17.614 16.086 1.00 0.00 C ATOM 577 C ASP A 36 33.082 18.806 16.546 1.00 0.00 C ATOM 578 O ASP A 36 32.557 19.734 17.155 1.00 0.00 O ATOM 579 CB ASP A 36 32.390 16.464 17.114 1.00 0.00 C ATOM 580 CG ASP A 36 33.824 16.217 17.571 1.00 0.00 C ATOM 581 OD1 ASP A 36 34.716 16.038 16.711 1.00 0.00 O ATOM 582 OD2 ASP A 36 34.065 16.193 18.792 1.00 0.00 O ATOM 0 H ASP A 36 33.060 16.236 14.713 1.00 0.00 H new ATOM 0 HA ASP A 36 31.214 17.906 16.023 1.00 0.00 H new ATOM 0 HB2 ASP A 36 31.774 16.694 17.983 1.00 0.00 H new ATOM 0 HB3 ASP A 36 31.994 15.548 16.675 1.00 0.00 H new ATOM 587 N LYS A 37 34.372 18.784 16.235 1.00 0.00 N ATOM 588 CA LYS A 37 35.263 19.867 16.637 1.00 0.00 C ATOM 589 C LYS A 37 34.907 21.164 15.913 1.00 0.00 C ATOM 590 O LYS A 37 35.158 22.259 16.418 1.00 0.00 O ATOM 591 CB LYS A 37 36.736 19.502 16.386 1.00 0.00 C ATOM 592 CG LYS A 37 37.716 20.545 16.892 1.00 0.00 C ATOM 593 CD LYS A 37 39.152 20.129 16.655 1.00 0.00 C ATOM 594 CE LYS A 37 40.113 21.153 17.230 1.00 0.00 C ATOM 595 NZ LYS A 37 41.530 20.739 17.078 1.00 0.00 N ATOM 0 H LYS A 37 34.823 18.035 15.710 1.00 0.00 H new ATOM 0 HA LYS A 37 35.129 20.020 17.708 1.00 0.00 H new ATOM 0 HB2 LYS A 37 36.952 18.549 16.868 1.00 0.00 H new ATOM 0 HB3 LYS A 37 36.889 19.361 15.316 1.00 0.00 H new ATOM 0 HG2 LYS A 37 37.526 21.495 16.393 1.00 0.00 H new ATOM 0 HG3 LYS A 37 37.556 20.707 17.958 1.00 0.00 H new ATOM 0 HD2 LYS A 37 39.334 19.156 17.113 1.00 0.00 H new ATOM 0 HD3 LYS A 37 39.331 20.017 15.586 1.00 0.00 H new ATOM 0 HE2 LYS A 37 39.961 22.111 16.733 1.00 0.00 H new ATOM 0 HE3 LYS A 37 39.892 21.304 18.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 42.150 21.468 17.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 41.684 19.838 17.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 41.751 20.620 16.069 1.00 0.00 H new ATOM 609 N LYS A 38 34.303 21.033 14.747 1.00 0.00 N ATOM 610 CA LYS A 38 33.925 22.187 13.952 1.00 0.00 C ATOM 611 C LYS A 38 32.601 22.761 14.442 1.00 0.00 C ATOM 612 O LYS A 38 32.480 23.974 14.649 1.00 0.00 O ATOM 613 CB LYS A 38 33.837 21.809 12.470 1.00 0.00 C ATOM 614 CG LYS A 38 35.054 21.055 11.976 1.00 0.00 C ATOM 615 CD LYS A 38 35.018 20.833 10.477 1.00 0.00 C ATOM 616 CE LYS A 38 36.195 19.980 10.024 1.00 0.00 C ATOM 617 NZ LYS A 38 37.499 20.552 10.450 1.00 0.00 N ATOM 0 H LYS A 38 34.063 20.135 14.328 1.00 0.00 H new ATOM 0 HA LYS A 38 34.692 22.953 14.065 1.00 0.00 H new ATOM 0 HB2 LYS A 38 32.949 21.198 12.309 1.00 0.00 H new ATOM 0 HB3 LYS A 38 33.713 22.715 11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 38 35.955 21.610 12.238 1.00 0.00 H new ATOM 0 HG3 LYS A 38 35.114 20.092 12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 38 34.083 20.346 10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 38 35.041 21.794 9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 38 36.091 18.974 10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 38 36.178 19.888 8.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 38.272 20.050 9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 37.533 21.561 10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 37.605 20.446 11.479 1.00 0.00 H new ATOM 631 N GLU A 39 31.620 21.883 14.641 1.00 0.00 N ATOM 632 CA GLU A 39 30.307 22.285 15.124 1.00 0.00 C ATOM 633 C GLU A 39 29.447 21.053 15.383 1.00 0.00 C ATOM 634 O GLU A 39 29.645 20.008 14.761 1.00 0.00 O ATOM 635 CB GLU A 39 29.608 23.216 14.115 1.00 0.00 C ATOM 636 CG GLU A 39 28.328 23.846 14.645 1.00 0.00 C ATOM 637 CD GLU A 39 28.554 24.597 15.936 1.00 0.00 C ATOM 638 OE1 GLU A 39 28.858 25.804 15.879 1.00 0.00 O ATOM 639 OE2 GLU A 39 28.451 23.979 17.019 1.00 0.00 O ATOM 0 H GLU A 39 31.714 20.881 14.473 1.00 0.00 H new ATOM 0 HA GLU A 39 30.439 22.833 16.057 1.00 0.00 H new ATOM 0 HB2 GLU A 39 30.299 24.008 13.826 1.00 0.00 H new ATOM 0 HB3 GLU A 39 29.377 22.650 13.213 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.923 24.527 13.896 1.00 0.00 H new ATOM 0 HG3 GLU A 39 27.581 23.068 14.805 1.00 0.00 H new ATOM 646 N ALA A 40 28.500 21.180 16.294 1.00 0.00 N ATOM 647 CA ALA A 40 27.613 20.074 16.622 1.00 0.00 C ATOM 648 C ALA A 40 26.591 19.853 15.475 1.00 0.00 C ATOM 649 O ALA A 40 25.837 20.767 15.148 1.00 0.00 O ATOM 650 CB ALA A 40 26.872 20.352 17.927 1.00 0.00 C ATOM 0 H ALA A 40 28.324 22.036 16.820 1.00 0.00 H new ATOM 0 HA ALA A 40 28.215 19.174 16.745 1.00 0.00 H new ATOM 0 HB1 ALA A 40 26.213 19.515 18.157 1.00 0.00 H new ATOM 0 HB2 ALA A 40 27.593 20.479 18.735 1.00 0.00 H new ATOM 0 HB3 ALA A 40 26.280 21.261 17.823 1.00 0.00 H new ATOM 656 N GLU A 41 26.568 18.655 14.853 1.00 0.00 N ATOM 657 CA GLU A 41 25.641 18.398 13.751 1.00 0.00 C ATOM 658 C GLU A 41 24.498 17.494 14.186 1.00 0.00 C ATOM 659 O GLU A 41 23.607 17.188 13.400 1.00 0.00 O ATOM 660 CB GLU A 41 26.382 17.751 12.579 1.00 0.00 C ATOM 661 CG GLU A 41 27.461 18.625 11.971 1.00 0.00 C ATOM 662 CD GLU A 41 26.904 19.904 11.397 1.00 0.00 C ATOM 663 OE1 GLU A 41 25.999 19.826 10.543 1.00 0.00 O ATOM 664 OE2 GLU A 41 27.368 20.991 11.789 1.00 0.00 O ATOM 0 H GLU A 41 27.172 17.869 15.095 1.00 0.00 H new ATOM 0 HA GLU A 41 25.224 19.356 13.440 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.833 16.819 12.918 1.00 0.00 H new ATOM 0 HB3 GLU A 41 25.660 17.492 11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.204 18.864 12.732 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.975 18.071 11.186 1.00 0.00 H new ATOM 671 N ARG A 42 24.530 17.072 15.435 1.00 0.00 N ATOM 672 CA ARG A 42 23.582 16.182 15.971 1.00 0.00 C ATOM 673 C ARG A 42 23.851 16.109 17.447 1.00 0.00 C ATOM 674 O ARG A 42 25.000 16.254 17.876 1.00 0.00 O ATOM 675 CB ARG A 42 23.719 14.792 15.330 1.00 0.00 C ATOM 676 CG ARG A 42 22.540 13.867 15.586 1.00 0.00 C ATOM 677 CD ARG A 42 22.749 12.509 14.939 1.00 0.00 C ATOM 678 NE ARG A 42 21.582 11.641 15.103 1.00 0.00 N ATOM 679 CZ ARG A 42 21.557 10.537 15.855 1.00 0.00 C ATOM 680 NH1 ARG A 42 22.645 10.145 16.514 1.00 0.00 N ATOM 681 NH2 ARG A 42 20.445 9.824 15.946 1.00 0.00 N ATOM 0 H ARG A 42 25.245 17.360 16.103 1.00 0.00 H new ATOM 0 HA ARG A 42 22.567 16.527 15.772 1.00 0.00 H new ATOM 0 HB2 ARG A 42 23.845 14.912 14.254 1.00 0.00 H new ATOM 0 HB3 ARG A 42 24.626 14.319 15.707 1.00 0.00 H new ATOM 0 HG2 ARG A 42 22.400 13.742 16.660 1.00 0.00 H new ATOM 0 HG3 ARG A 42 21.629 14.321 15.197 1.00 0.00 H new ATOM 0 HD2 ARG A 42 22.957 12.641 13.877 1.00 0.00 H new ATOM 0 HD3 ARG A 42 23.623 12.028 15.378 1.00 0.00 H new ATOM 0 HE ARG A 42 20.728 11.897 14.608 1.00 0.00 H new ATOM 0 HH11 ARG A 42 23.505 10.689 16.447 1.00 0.00 H new ATOM 0 HH12 ARG A 42 22.618 9.301 17.086 1.00 0.00 H new ATOM 0 HH21 ARG A 42 19.608 10.118 15.442 1.00 0.00 H new ATOM 0 HH22 ARG A 42 20.425 8.981 16.520 1.00 0.00 H new ATOM 695 N LYS A 43 22.820 15.943 18.199 1.00 0.00 N ATOM 696 CA LYS A 43 22.897 15.804 19.668 1.00 0.00 C ATOM 697 C LYS A 43 24.037 14.875 20.089 1.00 0.00 C ATOM 698 O LYS A 43 24.775 15.180 21.014 1.00 0.00 O ATOM 699 CB LYS A 43 21.580 15.274 20.237 1.00 0.00 C ATOM 700 CG LYS A 43 20.397 16.211 20.058 1.00 0.00 C ATOM 701 CD LYS A 43 19.153 15.672 20.753 1.00 0.00 C ATOM 702 CE LYS A 43 18.700 14.339 20.165 1.00 0.00 C ATOM 703 NZ LYS A 43 18.293 14.463 18.741 1.00 0.00 N ATOM 0 H LYS A 43 21.869 15.895 17.835 1.00 0.00 H new ATOM 0 HA LYS A 43 23.091 16.799 20.069 1.00 0.00 H new ATOM 0 HB2 LYS A 43 21.349 14.322 19.760 1.00 0.00 H new ATOM 0 HB3 LYS A 43 21.712 15.074 21.300 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.644 17.193 20.461 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.194 16.344 18.995 1.00 0.00 H new ATOM 0 HD2 LYS A 43 19.357 15.548 21.816 1.00 0.00 H new ATOM 0 HD3 LYS A 43 18.346 16.399 20.666 1.00 0.00 H new ATOM 0 HE2 LYS A 43 19.509 13.613 20.248 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.864 13.952 20.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.852 13.575 18.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.612 15.242 18.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 19.131 14.658 18.156 1.00 0.00 H new ATOM 717 N ALA A 44 24.166 13.747 19.390 1.00 0.00 N ATOM 718 CA ALA A 44 25.243 12.773 19.659 1.00 0.00 C ATOM 719 C ALA A 44 26.622 13.447 19.675 1.00 0.00 C ATOM 720 O ALA A 44 27.467 13.128 20.503 1.00 0.00 O ATOM 721 CB ALA A 44 25.223 11.647 18.624 1.00 0.00 C ATOM 0 H ALA A 44 23.541 13.478 18.630 1.00 0.00 H new ATOM 0 HA ALA A 44 25.061 12.351 20.647 1.00 0.00 H new ATOM 0 HB1 ALA A 44 26.024 10.940 18.840 1.00 0.00 H new ATOM 0 HB2 ALA A 44 24.263 11.132 18.665 1.00 0.00 H new ATOM 0 HB3 ALA A 44 25.367 12.066 17.628 1.00 0.00 H new ATOM 727 N LEU A 45 26.826 14.397 18.771 1.00 0.00 N ATOM 728 CA LEU A 45 28.101 15.105 18.680 1.00 0.00 C ATOM 729 C LEU A 45 28.145 16.251 19.683 1.00 0.00 C ATOM 730 O LEU A 45 29.189 16.544 20.263 1.00 0.00 O ATOM 731 CB LEU A 45 28.358 15.644 17.252 1.00 0.00 C ATOM 732 CG LEU A 45 28.594 14.595 16.145 1.00 0.00 C ATOM 733 CD1 LEU A 45 29.626 13.564 16.575 1.00 0.00 C ATOM 734 CD2 LEU A 45 27.293 13.922 15.730 1.00 0.00 C ATOM 0 H LEU A 45 26.127 14.696 18.091 1.00 0.00 H new ATOM 0 HA LEU A 45 28.889 14.389 18.915 1.00 0.00 H new ATOM 0 HB2 LEU A 45 27.505 16.258 16.962 1.00 0.00 H new ATOM 0 HB3 LEU A 45 29.227 16.301 17.288 1.00 0.00 H new ATOM 0 HG LEU A 45 28.987 15.121 15.275 1.00 0.00 H new ATOM 0 HD11 LEU A 45 29.771 12.838 15.775 1.00 0.00 H new ATOM 0 HD12 LEU A 45 30.571 14.063 16.788 1.00 0.00 H new ATOM 0 HD13 LEU A 45 29.276 13.051 17.471 1.00 0.00 H new ATOM 0 HD21 LEU A 45 27.495 13.189 14.949 1.00 0.00 H new ATOM 0 HD22 LEU A 45 26.851 13.421 16.592 1.00 0.00 H new ATOM 0 HD23 LEU A 45 26.599 14.673 15.352 1.00 0.00 H new ATOM 746 N GLU A 46 27.000 16.893 19.881 1.00 0.00 N ATOM 747 CA GLU A 46 26.894 17.996 20.844 1.00 0.00 C ATOM 748 C GLU A 46 27.208 17.496 22.247 1.00 0.00 C ATOM 749 O GLU A 46 27.879 18.172 23.019 1.00 0.00 O ATOM 750 CB GLU A 46 25.492 18.637 20.807 1.00 0.00 C ATOM 751 CG GLU A 46 25.368 19.887 21.665 1.00 0.00 C ATOM 752 CD GLU A 46 24.020 20.554 21.524 1.00 0.00 C ATOM 753 OE1 GLU A 46 23.089 20.194 22.271 1.00 0.00 O ATOM 754 OE2 GLU A 46 23.877 21.444 20.665 1.00 0.00 O ATOM 0 H GLU A 46 26.132 16.674 19.392 1.00 0.00 H new ATOM 0 HA GLU A 46 27.620 18.760 20.566 1.00 0.00 H new ATOM 0 HB2 GLU A 46 25.245 18.889 19.776 1.00 0.00 H new ATOM 0 HB3 GLU A 46 24.758 17.904 21.141 1.00 0.00 H new ATOM 0 HG2 GLU A 46 25.532 19.624 22.710 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.150 20.593 21.387 1.00 0.00 H new ATOM 761 N ASP A 47 26.726 16.296 22.552 1.00 0.00 N ATOM 762 CA ASP A 47 26.974 15.658 23.852 1.00 0.00 C ATOM 763 C ASP A 47 28.459 15.367 24.024 1.00 0.00 C ATOM 764 O ASP A 47 29.027 15.583 25.094 1.00 0.00 O ATOM 765 CB ASP A 47 26.161 14.354 23.977 1.00 0.00 C ATOM 766 CG ASP A 47 26.461 13.592 25.249 1.00 0.00 C ATOM 767 OD1 ASP A 47 26.091 14.073 26.340 1.00 0.00 O ATOM 768 OD2 ASP A 47 27.045 12.490 25.160 1.00 0.00 O ATOM 0 H ASP A 47 26.157 15.738 21.916 1.00 0.00 H new ATOM 0 HA ASP A 47 26.657 16.343 24.638 1.00 0.00 H new ATOM 0 HB2 ASP A 47 25.097 14.590 23.944 1.00 0.00 H new ATOM 0 HB3 ASP A 47 26.373 13.716 23.119 1.00 0.00 H new ATOM 773 N LYS A 48 29.065 14.844 22.963 1.00 0.00 N ATOM 774 CA LYS A 48 30.506 14.595 22.940 1.00 0.00 C ATOM 775 C LYS A 48 31.289 15.848 23.343 1.00 0.00 C ATOM 776 O LYS A 48 32.194 15.779 24.173 1.00 0.00 O ATOM 777 CB LYS A 48 30.965 14.099 21.563 1.00 0.00 C ATOM 778 CG LYS A 48 30.420 12.733 21.180 1.00 0.00 C ATOM 779 CD LYS A 48 30.843 11.664 22.178 1.00 0.00 C ATOM 780 CE LYS A 48 30.430 10.280 21.710 1.00 0.00 C ATOM 781 NZ LYS A 48 31.073 9.919 20.423 1.00 0.00 N ATOM 0 H LYS A 48 28.581 14.583 22.104 1.00 0.00 H new ATOM 0 HA LYS A 48 30.712 13.811 23.669 1.00 0.00 H new ATOM 0 HB2 LYS A 48 30.661 14.824 20.808 1.00 0.00 H new ATOM 0 HB3 LYS A 48 32.054 14.061 21.547 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.332 12.775 21.130 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.775 12.464 20.185 1.00 0.00 H new ATOM 0 HD2 LYS A 48 31.924 11.697 22.314 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.393 11.871 23.149 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.698 9.545 22.469 1.00 0.00 H new ATOM 0 HE3 LYS A 48 29.346 10.242 21.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 31.037 8.888 20.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 30.569 10.383 19.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.065 10.233 20.430 1.00 0.00 H new ATOM 795 N LEU A 49 30.947 16.979 22.741 1.00 0.00 N ATOM 796 CA LEU A 49 31.571 18.255 23.084 1.00 0.00 C ATOM 797 C LEU A 49 31.218 18.670 24.514 1.00 0.00 C ATOM 798 O LEU A 49 32.100 18.852 25.355 1.00 0.00 O ATOM 799 CB LEU A 49 31.112 19.345 22.113 1.00 0.00 C ATOM 800 CG LEU A 49 31.391 19.089 20.632 1.00 0.00 C ATOM 801 CD1 LEU A 49 30.751 20.174 19.780 1.00 0.00 C ATOM 802 CD2 LEU A 49 32.887 19.020 20.375 1.00 0.00 C ATOM 0 H LEU A 49 30.239 17.041 22.010 1.00 0.00 H new ATOM 0 HA LEU A 49 32.651 18.131 23.010 1.00 0.00 H new ATOM 0 HB2 LEU A 49 30.039 19.488 22.240 1.00 0.00 H new ATOM 0 HB3 LEU A 49 31.594 20.281 22.396 1.00 0.00 H new ATOM 0 HG LEU A 49 30.953 18.129 20.357 1.00 0.00 H new ATOM 0 HD11 LEU A 49 30.958 19.979 18.728 1.00 0.00 H new ATOM 0 HD12 LEU A 49 29.673 20.177 19.944 1.00 0.00 H new ATOM 0 HD13 LEU A 49 31.163 21.144 20.057 1.00 0.00 H new ATOM 0 HD21 LEU A 49 33.066 18.837 19.315 1.00 0.00 H new ATOM 0 HD22 LEU A 49 33.350 19.964 20.664 1.00 0.00 H new ATOM 0 HD23 LEU A 49 33.320 18.209 20.961 1.00 0.00 H new ATOM 814 N ALA A 50 29.917 18.828 24.754 1.00 0.00 N ATOM 815 CA ALA A 50 29.380 19.243 26.052 1.00 0.00 C ATOM 816 C ALA A 50 29.843 18.334 27.190 1.00 0.00 C ATOM 817 O ALA A 50 29.255 17.277 27.443 1.00 0.00 O ATOM 818 CB ALA A 50 27.860 19.299 26.002 1.00 0.00 C ATOM 0 H ALA A 50 29.198 18.670 24.047 1.00 0.00 H new ATOM 0 HA ALA A 50 29.770 20.240 26.259 1.00 0.00 H new ATOM 0 HB1 ALA A 50 27.475 19.609 26.974 1.00 0.00 H new ATOM 0 HB2 ALA A 50 27.547 20.015 25.242 1.00 0.00 H new ATOM 0 HB3 ALA A 50 27.468 18.313 25.754 1.00 0.00 H new ATOM 824 N ASP A 51 30.900 18.739 27.861 1.00 0.00 N ATOM 825 CA ASP A 51 31.419 17.965 28.969 1.00 0.00 C ATOM 826 C ASP A 51 30.752 18.357 30.271 1.00 0.00 C ATOM 827 O ASP A 51 31.138 19.332 30.922 1.00 0.00 O ATOM 828 CB ASP A 51 32.936 18.087 29.090 1.00 0.00 C ATOM 829 CG ASP A 51 33.488 17.178 30.173 1.00 0.00 C ATOM 830 OD1 ASP A 51 33.424 15.944 30.008 1.00 0.00 O ATOM 831 OD2 ASP A 51 33.991 17.687 31.194 1.00 0.00 O ATOM 0 H ASP A 51 31.415 19.596 27.660 1.00 0.00 H new ATOM 0 HA ASP A 51 31.186 16.921 28.761 1.00 0.00 H new ATOM 0 HB2 ASP A 51 33.398 17.838 28.135 1.00 0.00 H new ATOM 0 HB3 ASP A 51 33.201 19.121 29.312 1.00 0.00 H new ATOM 836 N TYR A 52 29.725 17.622 30.618 1.00 0.00 N ATOM 837 CA TYR A 52 29.025 17.827 31.864 1.00 0.00 C ATOM 838 C TYR A 52 28.999 16.531 32.647 1.00 0.00 C ATOM 839 O TYR A 52 29.963 16.274 33.392 1.00 0.00 O ATOM 840 CB TYR A 52 27.597 18.334 31.625 1.00 0.00 C ATOM 841 CG TYR A 52 27.523 19.696 30.970 1.00 0.00 C ATOM 842 CD1 TYR A 52 27.104 19.832 29.655 1.00 0.00 C ATOM 843 CD2 TYR A 52 27.865 20.846 31.669 1.00 0.00 C ATOM 844 CE1 TYR A 52 27.025 21.073 29.055 1.00 0.00 C ATOM 845 CE2 TYR A 52 27.793 22.090 31.076 1.00 0.00 C ATOM 846 CZ TYR A 52 27.371 22.198 29.769 1.00 0.00 C ATOM 847 OH TYR A 52 27.292 23.437 29.173 1.00 0.00 O ATOM 848 OXT TYR A 52 28.038 15.752 32.486 1.00 0.00 O ATOM 0 H TYR A 52 29.350 16.865 30.046 1.00 0.00 H new ATOM 0 HA TYR A 52 29.554 18.589 32.437 1.00 0.00 H new ATOM 0 HB2 TYR A 52 27.068 17.614 31.001 1.00 0.00 H new ATOM 0 HB3 TYR A 52 27.073 18.374 32.580 1.00 0.00 H new ATOM 0 HD1 TYR A 52 26.835 18.952 29.090 1.00 0.00 H new ATOM 0 HD2 TYR A 52 28.193 20.765 32.695 1.00 0.00 H new ATOM 0 HE1 TYR A 52 26.693 21.161 28.031 1.00 0.00 H new ATOM 0 HE2 TYR A 52 28.066 22.974 31.633 1.00 0.00 H new ATOM 0 HH TYR A 52 27.570 24.126 29.812 1.00 0.00 H new TER 858 TYR A 52