USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 381 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 NoAdj-H: B 34 HIS HE2 : B 34 HIS NE2 : B 55 ZNZN :(H bumps) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0.51 K(o=0.51,f=-0.043) USER MOD Single : B 25 GLN : amide:sc= -0.606 K(o=-0.61,f=-2.4!) USER MOD Single : B 28 TYR OH : rot 180:sc=-0.00677 USER MOD Single : B 30 LYS NZ :NH3+ 170:sc= 1.13 (180deg=0.825) USER MOD Single : B 32 LYS NZ :NH3+ 171:sc= 1.17 (180deg=0.854) USER MOD Single : B 37 LYS NZ :NH3+ 159:sc= 0.884 (180deg=0.645) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ -173:sc= 1.71 (180deg=1.64) USER MOD Single : B 52 GLN : amide:sc= 0.396 K(o=0.4,f=-2.3!) USER MOD Single : B 53 THR OG1 : rot -31:sc= 0.634 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.447 -7.335 0.833 1.00 0.00 O ATOM 2 C5' DA A 1 1.765 -7.151 1.304 1.00 0.00 C ATOM 3 C4' DA A 1 1.753 -6.715 2.775 1.00 0.00 C ATOM 4 O4' DA A 1 3.068 -6.804 3.305 1.00 0.00 O ATOM 5 C3' DA A 1 1.267 -5.274 2.965 1.00 0.00 C ATOM 6 O3' DA A 1 0.636 -5.145 4.232 1.00 0.00 O ATOM 7 C2' DA A 1 2.613 -4.577 2.953 1.00 0.00 C ATOM 8 C1' DA A 1 3.416 -5.536 3.821 1.00 0.00 C ATOM 9 N9 DA A 1 4.880 -5.333 3.762 1.00 0.00 N ATOM 10 C8 DA A 1 5.659 -4.968 2.695 1.00 0.00 C ATOM 11 N7 DA A 1 6.936 -4.921 2.951 1.00 0.00 N ATOM 12 C5 DA A 1 7.013 -5.268 4.294 1.00 0.00 C ATOM 13 C6 DA A 1 8.091 -5.389 5.196 1.00 0.00 C ATOM 14 N6 DA A 1 9.363 -5.170 4.840 1.00 0.00 N ATOM 15 N1 DA A 1 7.826 -5.737 6.470 1.00 0.00 N ATOM 16 C2 DA A 1 6.561 -5.944 6.832 1.00 0.00 C ATOM 17 N3 DA A 1 5.463 -5.860 6.084 1.00 0.00 N ATOM 18 C4 DA A 1 5.761 -5.511 4.803 1.00 0.00 C ATOM 0 H5' DA A 1 2.272 -6.399 0.700 1.00 0.00 H new ATOM 0 H5'' DA A 1 2.328 -8.078 1.198 1.00 0.00 H new ATOM 0 H4' DA A 1 1.062 -7.380 3.293 1.00 0.00 H new ATOM 0 H3' DA A 1 0.542 -4.903 2.241 1.00 0.00 H new ATOM 0 H2' DA A 1 3.024 -4.481 1.948 1.00 0.00 H new ATOM 0 H2'' DA A 1 2.566 -3.573 3.375 1.00 0.00 H new ATOM 0 HO5' DA A 1 0.471 -7.611 -0.107 1.00 0.00 H new ATOM 0 H1' DA A 1 3.182 -5.395 4.876 1.00 0.00 H new ATOM 0 H8 DA A 1 5.249 -4.738 1.723 1.00 0.00 H new ATOM 0 H61 DA A 1 10.110 -5.270 5.528 1.00 0.00 H new ATOM 0 H62 DA A 1 9.585 -4.903 3.881 1.00 0.00 H new ATOM 0 H2 DA A 1 6.406 -6.215 7.866 1.00 0.00 H new ATOM 31 P DC A 2 -0.484 -4.021 4.548 1.00 0.00 P ATOM 32 OP1 DC A 2 -1.006 -4.275 5.908 1.00 0.00 O ATOM 33 OP2 DC A 2 -1.429 -4.000 3.410 1.00 0.00 O ATOM 34 O5' DC A 2 0.287 -2.601 4.558 1.00 0.00 O ATOM 35 C5' DC A 2 0.636 -1.902 5.744 1.00 0.00 C ATOM 36 C4' DC A 2 1.891 -2.471 6.414 1.00 0.00 C ATOM 37 O4' DC A 2 2.919 -2.597 5.448 1.00 0.00 O ATOM 38 C3' DC A 2 2.437 -1.520 7.497 1.00 0.00 C ATOM 39 O3' DC A 2 2.525 -2.175 8.750 1.00 0.00 O ATOM 40 C2' DC A 2 3.839 -1.203 6.977 1.00 0.00 C ATOM 41 C1' DC A 2 4.142 -2.410 6.113 1.00 0.00 C ATOM 42 N1 DC A 2 5.307 -2.153 5.227 1.00 0.00 N ATOM 43 C2 DC A 2 6.586 -2.330 5.757 1.00 0.00 C ATOM 44 O2 DC A 2 6.744 -2.652 6.933 1.00 0.00 O ATOM 45 N3 DC A 2 7.661 -2.152 4.937 1.00 0.00 N ATOM 46 C4 DC A 2 7.503 -1.810 3.651 1.00 0.00 C ATOM 47 N4 DC A 2 8.593 -1.668 2.889 1.00 0.00 N ATOM 48 C5 DC A 2 6.197 -1.584 3.096 1.00 0.00 C ATOM 49 C6 DC A 2 5.140 -1.750 3.927 1.00 0.00 C ATOM 0 H5' DC A 2 -0.197 -1.945 6.445 1.00 0.00 H new ATOM 0 H5'' DC A 2 0.800 -0.851 5.507 1.00 0.00 H new ATOM 0 H4' DC A 2 1.613 -3.427 6.857 1.00 0.00 H new ATOM 0 H3' DC A 2 1.809 -0.644 7.656 1.00 0.00 H new ATOM 0 H2' DC A 2 3.860 -0.276 6.403 1.00 0.00 H new ATOM 0 H2'' DC A 2 4.559 -1.092 7.788 1.00 0.00 H new ATOM 0 H1' DC A 2 4.450 -3.308 6.649 1.00 0.00 H new ATOM 0 H41 DC A 2 8.499 -1.408 1.907 1.00 0.00 H new ATOM 0 H42 DC A 2 9.519 -1.819 3.290 1.00 0.00 H new ATOM 0 H5 DC A 2 6.064 -1.295 2.064 1.00 0.00 H new ATOM 0 H6 DC A 2 4.143 -1.561 3.557 1.00 0.00 H new ATOM 61 P DG A 3 2.569 -1.354 10.147 1.00 0.00 P ATOM 62 OP1 DG A 3 2.994 -2.294 11.207 1.00 0.00 O ATOM 63 OP2 DG A 3 1.287 -0.627 10.288 1.00 0.00 O ATOM 64 O5' DG A 3 3.754 -0.270 9.942 1.00 0.00 O ATOM 65 C5' DG A 3 3.487 1.120 9.872 1.00 0.00 C ATOM 66 C4' DG A 3 4.721 1.885 9.368 1.00 0.00 C ATOM 67 O4' DG A 3 4.913 1.519 8.007 1.00 0.00 O ATOM 68 C3' DG A 3 4.449 3.397 9.409 1.00 0.00 C ATOM 69 O3' DG A 3 5.515 4.240 9.845 1.00 0.00 O ATOM 70 C2' DG A 3 3.967 3.691 8.002 1.00 0.00 C ATOM 71 C1' DG A 3 4.690 2.635 7.165 1.00 0.00 C ATOM 72 N9 DG A 3 3.964 2.257 5.926 1.00 0.00 N ATOM 73 C8 DG A 3 2.613 2.179 5.686 1.00 0.00 C ATOM 74 N7 DG A 3 2.301 1.933 4.445 1.00 0.00 N ATOM 75 C5 DG A 3 3.532 1.795 3.814 1.00 0.00 C ATOM 76 C6 DG A 3 3.843 1.561 2.440 1.00 0.00 C ATOM 77 O6 DG A 3 3.069 1.481 1.492 1.00 0.00 O ATOM 78 N1 DG A 3 5.212 1.456 2.211 1.00 0.00 N ATOM 79 C2 DG A 3 6.174 1.567 3.198 1.00 0.00 C ATOM 80 N2 DG A 3 7.447 1.398 2.832 1.00 0.00 N ATOM 81 N3 DG A 3 5.887 1.819 4.484 1.00 0.00 N ATOM 82 C4 DG A 3 4.553 1.935 4.725 1.00 0.00 C ATOM 0 H5' DG A 3 3.200 1.490 10.856 1.00 0.00 H new ATOM 0 H5'' DG A 3 2.644 1.300 9.205 1.00 0.00 H new ATOM 0 H4' DG A 3 5.588 1.650 9.986 1.00 0.00 H new ATOM 0 H3' DG A 3 3.723 3.636 10.187 1.00 0.00 H new ATOM 0 H2' DG A 3 2.884 3.600 7.919 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.227 4.702 7.689 1.00 0.00 H new ATOM 0 H1' DG A 3 5.632 3.048 6.804 1.00 0.00 H new ATOM 0 H8 DG A 3 1.872 2.311 6.461 1.00 0.00 H new ATOM 0 H1 DG A 3 5.525 1.287 1.255 1.00 0.00 H new ATOM 0 H21 DG A 3 8.191 1.471 3.526 1.00 0.00 H new ATOM 0 H22 DG A 3 7.675 1.196 1.859 1.00 0.00 H new ATOM 94 P DC A 4 6.989 4.377 9.170 1.00 0.00 P ATOM 95 OP1 DC A 4 7.401 3.056 8.648 1.00 0.00 O ATOM 96 OP2 DC A 4 7.846 5.041 10.176 1.00 0.00 O ATOM 97 O5' DC A 4 6.879 5.403 7.910 1.00 0.00 O ATOM 98 C5' DC A 4 8.018 5.598 7.082 1.00 0.00 C ATOM 99 C4' DC A 4 8.021 6.820 6.145 1.00 0.00 C ATOM 100 O4' DC A 4 7.225 6.640 4.988 1.00 0.00 O ATOM 101 C3' DC A 4 7.608 8.154 6.781 1.00 0.00 C ATOM 102 O3' DC A 4 8.652 9.102 6.644 1.00 0.00 O ATOM 103 C2' DC A 4 6.458 8.582 5.878 1.00 0.00 C ATOM 104 C1' DC A 4 6.871 7.937 4.555 1.00 0.00 C ATOM 105 N1 DC A 4 5.853 7.944 3.464 1.00 0.00 N ATOM 106 C2 DC A 4 6.316 7.656 2.178 1.00 0.00 C ATOM 107 O2 DC A 4 7.509 7.451 1.967 1.00 0.00 O ATOM 108 N3 DC A 4 5.419 7.614 1.156 1.00 0.00 N ATOM 109 C4 DC A 4 4.119 7.852 1.354 1.00 0.00 C ATOM 110 N4 DC A 4 3.290 7.757 0.310 1.00 0.00 N ATOM 111 C5 DC A 4 3.619 8.190 2.657 1.00 0.00 C ATOM 112 C6 DC A 4 4.519 8.226 3.672 1.00 0.00 C ATOM 0 H5' DC A 4 8.144 4.705 6.469 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.894 5.668 7.727 1.00 0.00 H new ATOM 0 H4' DC A 4 9.077 6.885 5.884 1.00 0.00 H new ATOM 0 H3' DC A 4 7.367 8.077 7.841 1.00 0.00 H new ATOM 0 H2' DC A 4 5.496 8.214 6.233 1.00 0.00 H new ATOM 0 H2'' DC A 4 6.376 9.666 5.800 1.00 0.00 H new ATOM 0 H1' DC A 4 7.665 8.493 4.056 1.00 0.00 H new ATOM 0 H41 DC A 4 2.293 7.933 0.433 1.00 0.00 H new ATOM 0 H42 DC A 4 3.654 7.508 -0.610 1.00 0.00 H new ATOM 0 H5 DC A 4 2.574 8.406 2.822 1.00 0.00 H new ATOM 0 H6 DC A 4 4.183 8.481 4.666 1.00 0.00 H new ATOM 124 P DC A 5 9.874 9.195 7.692 1.00 0.00 P ATOM 125 OP1 DC A 5 10.957 9.988 7.069 1.00 0.00 O ATOM 126 OP2 DC A 5 10.169 7.836 8.198 1.00 0.00 O ATOM 127 O5' DC A 5 9.208 10.074 8.873 1.00 0.00 O ATOM 128 C5' DC A 5 8.882 11.439 8.670 1.00 0.00 C ATOM 129 C4' DC A 5 7.397 11.715 8.930 1.00 0.00 C ATOM 130 O4' DC A 5 6.550 10.847 8.203 1.00 0.00 O ATOM 131 C3' DC A 5 6.955 11.519 10.375 1.00 0.00 C ATOM 132 O3' DC A 5 7.364 12.579 11.212 1.00 0.00 O ATOM 133 C2' DC A 5 5.441 11.495 10.193 1.00 0.00 C ATOM 134 C1' DC A 5 5.253 10.959 8.762 1.00 0.00 C ATOM 135 N1 DC A 5 4.557 9.639 8.747 1.00 0.00 N ATOM 136 C2 DC A 5 3.412 9.469 7.958 1.00 0.00 C ATOM 137 O2 DC A 5 3.021 10.350 7.194 1.00 0.00 O ATOM 138 N3 DC A 5 2.713 8.299 8.059 1.00 0.00 N ATOM 139 C4 DC A 5 3.131 7.317 8.872 1.00 0.00 C ATOM 140 N4 DC A 5 2.383 6.214 8.981 1.00 0.00 N ATOM 141 C5 DC A 5 4.346 7.437 9.626 1.00 0.00 C ATOM 142 C6 DC A 5 5.021 8.605 9.524 1.00 0.00 C ATOM 0 H5' DC A 5 9.131 11.724 7.648 1.00 0.00 H new ATOM 0 H5'' DC A 5 9.488 12.059 9.330 1.00 0.00 H new ATOM 0 H4' DC A 5 7.307 12.759 8.631 1.00 0.00 H new ATOM 0 H3' DC A 5 7.376 10.638 10.859 1.00 0.00 H new ATOM 0 H2' DC A 5 4.960 10.850 10.928 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.008 12.489 10.308 1.00 0.00 H new ATOM 0 HO3' DC A 5 7.057 12.410 12.127 1.00 0.00 H new ATOM 0 H1' DC A 5 4.624 11.636 8.184 1.00 0.00 H new ATOM 0 H41 DC A 5 2.681 5.454 9.593 1.00 0.00 H new ATOM 0 H42 DC A 5 1.515 6.132 8.452 1.00 0.00 H new ATOM 0 H5 DC A 5 4.706 6.630 10.248 1.00 0.00 H new ATOM 0 H6 DC A 5 5.947 8.728 10.066 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 1.439 -9.950 -12.616 1.00 0.00 N ATOM 157 CA GLY B 14 2.079 -8.859 -13.372 1.00 0.00 C ATOM 158 C GLY B 14 2.706 -7.815 -12.449 1.00 0.00 C ATOM 159 O GLY B 14 2.632 -7.949 -11.229 1.00 0.00 O ATOM 0 HA2 GLY B 14 2.847 -9.273 -14.026 1.00 0.00 H new ATOM 0 HA3 GLY B 14 1.339 -8.379 -14.013 1.00 0.00 H new ATOM 165 N GLU B 15 3.320 -6.783 -13.040 1.00 0.00 N ATOM 166 CA GLU B 15 3.961 -5.692 -12.318 1.00 0.00 C ATOM 167 C GLU B 15 3.960 -4.448 -13.208 1.00 0.00 C ATOM 168 O GLU B 15 3.270 -3.476 -12.904 1.00 0.00 O ATOM 169 CB GLU B 15 5.377 -6.117 -11.891 1.00 0.00 C ATOM 170 CG GLU B 15 6.135 -5.027 -11.120 1.00 0.00 C ATOM 171 CD GLU B 15 5.449 -4.660 -9.809 1.00 0.00 C ATOM 172 OE1 GLU B 15 5.327 -5.566 -8.959 1.00 0.00 O ATOM 173 OE2 GLU B 15 5.072 -3.477 -9.662 1.00 0.00 O ATOM 0 H GLU B 15 3.383 -6.687 -14.053 1.00 0.00 H new ATOM 0 HA GLU B 15 3.414 -5.451 -11.406 1.00 0.00 H new ATOM 0 HB2 GLU B 15 5.308 -7.010 -11.270 1.00 0.00 H new ATOM 0 HB3 GLU B 15 5.949 -6.389 -12.778 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.149 -5.370 -10.913 1.00 0.00 H new ATOM 0 HG3 GLU B 15 6.221 -4.137 -11.744 1.00 0.00 H new ATOM 180 N ARG B 16 4.727 -4.496 -14.308 1.00 0.00 N ATOM 181 CA ARG B 16 4.874 -3.423 -15.288 1.00 0.00 C ATOM 182 C ARG B 16 5.196 -2.086 -14.609 1.00 0.00 C ATOM 183 O ARG B 16 4.618 -1.055 -14.948 1.00 0.00 O ATOM 184 CB ARG B 16 3.626 -3.338 -16.183 1.00 0.00 C ATOM 185 CG ARG B 16 3.376 -4.650 -16.941 1.00 0.00 C ATOM 186 CD ARG B 16 2.140 -4.549 -17.844 1.00 0.00 C ATOM 187 NE ARG B 16 2.275 -3.497 -18.863 1.00 0.00 N ATOM 188 CZ ARG B 16 2.986 -3.592 -20.000 1.00 0.00 C ATOM 189 NH1 ARG B 16 3.656 -4.712 -20.304 1.00 0.00 N ATOM 190 NH2 ARG B 16 3.025 -2.550 -20.841 1.00 0.00 N ATOM 0 H ARG B 16 5.282 -5.319 -14.543 1.00 0.00 H new ATOM 0 HA ARG B 16 5.723 -3.656 -15.931 1.00 0.00 H new ATOM 0 HB2 ARG B 16 2.756 -3.100 -15.571 1.00 0.00 H new ATOM 0 HB3 ARG B 16 3.746 -2.523 -16.897 1.00 0.00 H new ATOM 0 HG2 ARG B 16 4.250 -4.895 -17.544 1.00 0.00 H new ATOM 0 HG3 ARG B 16 3.242 -5.464 -16.228 1.00 0.00 H new ATOM 0 HD2 ARG B 16 1.973 -5.508 -18.335 1.00 0.00 H new ATOM 0 HD3 ARG B 16 1.261 -4.347 -17.231 1.00 0.00 H new ATOM 0 HE ARG B 16 1.786 -2.618 -18.692 1.00 0.00 H new ATOM 0 HH11 ARG B 16 3.631 -5.509 -19.668 1.00 0.00 H new ATOM 0 HH12 ARG B 16 4.191 -4.767 -21.171 1.00 0.00 H new ATOM 0 HH21 ARG B 16 2.518 -1.694 -20.616 1.00 0.00 H new ATOM 0 HH22 ARG B 16 3.562 -2.613 -21.706 1.00 0.00 H new ATOM 204 N ARG B 17 6.112 -2.122 -13.633 1.00 0.00 N ATOM 205 CA ARG B 17 6.444 -0.998 -12.772 1.00 0.00 C ATOM 206 C ARG B 17 7.741 -1.346 -12.029 1.00 0.00 C ATOM 207 O ARG B 17 8.806 -1.293 -12.641 1.00 0.00 O ATOM 208 CB ARG B 17 5.250 -0.696 -11.850 1.00 0.00 C ATOM 209 CG ARG B 17 5.454 0.551 -10.982 1.00 0.00 C ATOM 210 CD ARG B 17 4.519 0.520 -9.770 1.00 0.00 C ATOM 211 NE ARG B 17 3.103 0.428 -10.162 1.00 0.00 N ATOM 212 CZ ARG B 17 2.303 -0.649 -10.029 1.00 0.00 C ATOM 213 NH1 ARG B 17 2.777 -1.852 -9.672 1.00 0.00 N ATOM 214 NH2 ARG B 17 0.989 -0.522 -10.256 1.00 0.00 N ATOM 0 H ARG B 17 6.653 -2.960 -13.421 1.00 0.00 H new ATOM 0 HA ARG B 17 6.626 -0.081 -13.333 1.00 0.00 H new ATOM 0 HB2 ARG B 17 4.355 -0.565 -12.458 1.00 0.00 H new ATOM 0 HB3 ARG B 17 5.073 -1.555 -11.203 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.490 0.603 -10.648 1.00 0.00 H new ATOM 0 HG3 ARG B 17 5.264 1.447 -11.572 1.00 0.00 H new ATOM 0 HD2 ARG B 17 4.775 -0.330 -9.137 1.00 0.00 H new ATOM 0 HD3 ARG B 17 4.671 1.419 -9.173 1.00 0.00 H new ATOM 0 HE ARG B 17 2.686 1.262 -10.575 1.00 0.00 H new ATOM 0 HH11 ARG B 17 3.773 -1.974 -9.491 1.00 0.00 H new ATOM 0 HH12 ARG B 17 2.141 -2.644 -9.581 1.00 0.00 H new ATOM 0 HH21 ARG B 17 0.603 0.383 -10.526 1.00 0.00 H new ATOM 0 HH22 ARG B 17 0.374 -1.330 -10.158 1.00 0.00 H new ATOM 228 N ARG B 18 7.668 -1.713 -10.739 1.00 0.00 N ATOM 229 CA ARG B 18 8.812 -2.094 -9.921 1.00 0.00 C ATOM 230 C ARG B 18 8.351 -3.102 -8.868 1.00 0.00 C ATOM 231 O ARG B 18 7.448 -2.804 -8.086 1.00 0.00 O ATOM 232 CB ARG B 18 9.434 -0.877 -9.217 1.00 0.00 C ATOM 233 CG ARG B 18 9.936 0.203 -10.184 1.00 0.00 C ATOM 234 CD ARG B 18 10.873 1.196 -9.489 1.00 0.00 C ATOM 235 NE ARG B 18 10.282 1.738 -8.254 1.00 0.00 N ATOM 236 CZ ARG B 18 10.771 1.603 -7.008 1.00 0.00 C ATOM 237 NH1 ARG B 18 11.904 0.936 -6.752 1.00 0.00 N ATOM 238 NH2 ARG B 18 10.110 2.142 -5.978 1.00 0.00 N ATOM 0 H ARG B 18 6.785 -1.751 -10.231 1.00 0.00 H new ATOM 0 HA ARG B 18 9.570 -2.531 -10.571 1.00 0.00 H new ATOM 0 HB2 ARG B 18 8.694 -0.438 -8.548 1.00 0.00 H new ATOM 0 HB3 ARG B 18 10.265 -1.212 -8.597 1.00 0.00 H new ATOM 0 HG2 ARG B 18 10.458 -0.268 -11.016 1.00 0.00 H new ATOM 0 HG3 ARG B 18 9.085 0.739 -10.604 1.00 0.00 H new ATOM 0 HD2 ARG B 18 11.816 0.702 -9.254 1.00 0.00 H new ATOM 0 HD3 ARG B 18 11.104 2.015 -10.170 1.00 0.00 H new ATOM 0 HE ARG B 18 9.416 2.268 -8.353 1.00 0.00 H new ATOM 0 HH11 ARG B 18 12.428 0.509 -7.516 1.00 0.00 H new ATOM 0 HH12 ARG B 18 12.243 0.855 -5.793 1.00 0.00 H new ATOM 0 HH21 ARG B 18 9.241 2.651 -6.140 1.00 0.00 H new ATOM 0 HH22 ARG B 18 10.475 2.044 -5.030 1.00 0.00 H new ATOM 252 N SER B 19 8.997 -4.275 -8.832 1.00 0.00 N ATOM 253 CA SER B 19 8.751 -5.333 -7.857 1.00 0.00 C ATOM 254 C SER B 19 8.866 -4.824 -6.414 1.00 0.00 C ATOM 255 O SER B 19 8.135 -5.284 -5.537 1.00 0.00 O ATOM 256 CB SER B 19 9.731 -6.484 -8.114 1.00 0.00 C ATOM 257 OG SER B 19 9.455 -7.568 -7.252 1.00 0.00 O ATOM 0 H SER B 19 9.726 -4.516 -9.503 1.00 0.00 H new ATOM 0 HA SER B 19 7.728 -5.688 -7.979 1.00 0.00 H new ATOM 0 HB2 SER B 19 9.656 -6.808 -9.152 1.00 0.00 H new ATOM 0 HB3 SER B 19 10.754 -6.140 -7.960 1.00 0.00 H new ATOM 0 HG SER B 19 10.087 -8.296 -7.429 1.00 0.00 H new ATOM 263 N GLN B 20 9.768 -3.862 -6.183 1.00 0.00 N ATOM 264 CA GLN B 20 10.035 -3.253 -4.887 1.00 0.00 C ATOM 265 C GLN B 20 8.787 -2.592 -4.289 1.00 0.00 C ATOM 266 O GLN B 20 7.774 -2.408 -4.960 1.00 0.00 O ATOM 267 CB GLN B 20 11.147 -2.206 -5.047 1.00 0.00 C ATOM 268 CG GLN B 20 12.478 -2.812 -5.512 1.00 0.00 C ATOM 269 CD GLN B 20 13.463 -1.731 -5.953 1.00 0.00 C ATOM 270 OE1 GLN B 20 13.770 -1.620 -7.138 1.00 0.00 O ATOM 271 NE2 GLN B 20 13.951 -0.917 -5.017 1.00 0.00 N ATOM 0 H GLN B 20 10.351 -3.476 -6.926 1.00 0.00 H new ATOM 0 HA GLN B 20 10.345 -4.042 -4.201 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.827 -1.451 -5.765 1.00 0.00 H new ATOM 0 HB3 GLN B 20 11.299 -1.697 -4.095 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.916 -3.396 -4.702 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.297 -3.499 -6.338 1.00 0.00 H new ATOM 0 HE21 GLN B 20 13.675 -1.037 -4.042 1.00 0.00 H new ATOM 0 HE22 GLN B 20 14.600 -0.174 -5.275 1.00 0.00 H new ATOM 280 N LEU B 21 8.896 -2.221 -3.010 1.00 0.00 N ATOM 281 CA LEU B 21 7.906 -1.464 -2.254 1.00 0.00 C ATOM 282 C LEU B 21 8.647 -0.705 -1.151 1.00 0.00 C ATOM 283 O LEU B 21 8.377 -0.861 0.038 1.00 0.00 O ATOM 284 CB LEU B 21 6.763 -2.368 -1.758 1.00 0.00 C ATOM 285 CG LEU B 21 7.114 -3.816 -1.366 1.00 0.00 C ATOM 286 CD1 LEU B 21 7.871 -3.871 -0.040 1.00 0.00 C ATOM 287 CD2 LEU B 21 5.821 -4.630 -1.236 1.00 0.00 C ATOM 0 H LEU B 21 9.717 -2.453 -2.451 1.00 0.00 H new ATOM 0 HA LEU B 21 7.401 -0.731 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU B 21 6.307 -1.887 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU B 21 6.003 -2.407 -2.539 1.00 0.00 H new ATOM 0 HG LEU B 21 7.755 -4.231 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU B 21 8.102 -4.908 0.204 1.00 0.00 H new ATOM 0 HD12 LEU B 21 8.798 -3.304 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU B 21 7.254 -3.441 0.749 1.00 0.00 H new ATOM 0 HD21 LEU B 21 6.063 -5.656 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU B 21 5.187 -4.186 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU B 21 5.292 -4.627 -2.189 1.00 0.00 H new ATOM 299 N ASP B 22 9.604 0.114 -1.598 1.00 0.00 N ATOM 300 CA ASP B 22 10.615 0.791 -0.800 1.00 0.00 C ATOM 301 C ASP B 22 10.042 1.592 0.369 1.00 0.00 C ATOM 302 O ASP B 22 10.005 1.095 1.493 1.00 0.00 O ATOM 303 CB ASP B 22 11.467 1.664 -1.732 1.00 0.00 C ATOM 304 CG ASP B 22 12.116 0.829 -2.829 1.00 0.00 C ATOM 305 OD1 ASP B 22 13.008 0.019 -2.494 1.00 0.00 O ATOM 306 OD2 ASP B 22 11.686 0.999 -3.989 1.00 0.00 O ATOM 0 H ASP B 22 9.694 0.331 -2.591 1.00 0.00 H new ATOM 0 HA ASP B 22 11.238 0.032 -0.327 1.00 0.00 H new ATOM 0 HB2 ASP B 22 10.844 2.437 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP B 22 12.239 2.172 -1.154 1.00 0.00 H new ATOM 311 N ARG B 23 9.652 2.847 0.116 1.00 0.00 N ATOM 312 CA ARG B 23 9.289 3.811 1.130 1.00 0.00 C ATOM 313 C ARG B 23 8.136 4.661 0.597 1.00 0.00 C ATOM 314 O ARG B 23 7.064 4.666 1.184 1.00 0.00 O ATOM 315 CB ARG B 23 10.541 4.631 1.460 1.00 0.00 C ATOM 316 CG ARG B 23 10.404 5.404 2.767 1.00 0.00 C ATOM 317 CD ARG B 23 10.408 4.466 3.986 1.00 0.00 C ATOM 318 NE ARG B 23 10.759 5.168 5.227 1.00 0.00 N ATOM 319 CZ ARG B 23 11.955 5.691 5.547 1.00 0.00 C ATOM 320 NH1 ARG B 23 13.024 5.483 4.766 1.00 0.00 N ATOM 321 NH2 ARG B 23 12.078 6.430 6.659 1.00 0.00 N ATOM 0 H ARG B 23 9.582 3.218 -0.831 1.00 0.00 H new ATOM 0 HA ARG B 23 8.943 3.343 2.051 1.00 0.00 H new ATOM 0 HB2 ARG B 23 11.401 3.965 1.524 1.00 0.00 H new ATOM 0 HB3 ARG B 23 10.739 5.330 0.647 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.223 6.118 2.855 1.00 0.00 H new ATOM 0 HG3 ARG B 23 9.479 5.980 2.754 1.00 0.00 H new ATOM 0 HD2 ARG B 23 9.424 4.010 4.095 1.00 0.00 H new ATOM 0 HD3 ARG B 23 11.117 3.656 3.816 1.00 0.00 H new ATOM 0 HE ARG B 23 10.017 5.269 5.919 1.00 0.00 H new ATOM 0 HH11 ARG B 23 12.935 4.923 3.918 1.00 0.00 H new ATOM 0 HH12 ARG B 23 13.927 5.885 5.019 1.00 0.00 H new ATOM 0 HH21 ARG B 23 11.267 6.592 7.256 1.00 0.00 H new ATOM 0 HH22 ARG B 23 12.983 6.830 6.908 1.00 0.00 H new ATOM 335 N ASP B 24 8.368 5.348 -0.526 1.00 0.00 N ATOM 336 CA ASP B 24 7.448 6.213 -1.250 1.00 0.00 C ATOM 337 C ASP B 24 6.137 5.527 -1.652 1.00 0.00 C ATOM 338 O ASP B 24 5.054 6.015 -1.333 1.00 0.00 O ATOM 339 CB ASP B 24 8.173 6.711 -2.508 1.00 0.00 C ATOM 340 CG ASP B 24 7.288 7.630 -3.345 1.00 0.00 C ATOM 341 OD1 ASP B 24 7.189 8.819 -2.973 1.00 0.00 O ATOM 342 OD2 ASP B 24 6.725 7.123 -4.339 1.00 0.00 O ATOM 0 H ASP B 24 9.279 5.306 -0.984 1.00 0.00 H new ATOM 0 HA ASP B 24 7.164 7.029 -0.585 1.00 0.00 H new ATOM 0 HB2 ASP B 24 9.079 7.243 -2.219 1.00 0.00 H new ATOM 0 HB3 ASP B 24 8.483 5.857 -3.111 1.00 0.00 H new ATOM 347 N GLN B 25 6.242 4.428 -2.407 1.00 0.00 N ATOM 348 CA GLN B 25 5.097 3.803 -3.066 1.00 0.00 C ATOM 349 C GLN B 25 4.349 2.809 -2.171 1.00 0.00 C ATOM 350 O GLN B 25 4.860 2.407 -1.124 1.00 0.00 O ATOM 351 CB GLN B 25 5.551 3.190 -4.400 1.00 0.00 C ATOM 352 CG GLN B 25 6.634 2.110 -4.271 1.00 0.00 C ATOM 353 CD GLN B 25 6.953 1.492 -5.634 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.315 2.202 -6.570 1.00 0.00 O ATOM 355 NE2 GLN B 25 6.831 0.170 -5.759 1.00 0.00 N ATOM 0 H GLN B 25 7.126 3.948 -2.577 1.00 0.00 H new ATOM 0 HA GLN B 25 4.359 4.577 -3.274 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.684 2.759 -4.900 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.926 3.987 -5.042 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.538 2.545 -3.844 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.298 1.333 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN B 25 6.528 -0.392 -4.963 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.040 -0.279 -6.650 1.00 0.00 H new ATOM 364 N CYS B 26 3.130 2.422 -2.594 1.00 0.00 N ATOM 365 CA CYS B 26 2.291 1.432 -1.916 1.00 0.00 C ATOM 366 C CYS B 26 3.049 0.114 -1.751 1.00 0.00 C ATOM 367 O CYS B 26 4.076 -0.118 -2.389 1.00 0.00 O ATOM 368 CB CYS B 26 0.923 1.278 -2.631 1.00 0.00 C ATOM 369 SG CYS B 26 -0.249 0.033 -1.973 1.00 0.00 S ATOM 0 H CYS B 26 2.697 2.801 -3.436 1.00 0.00 H new ATOM 0 HA CYS B 26 2.061 1.783 -0.910 1.00 0.00 H new ATOM 0 HB2 CYS B 26 0.426 2.248 -2.615 1.00 0.00 H new ATOM 0 HB3 CYS B 26 1.117 1.036 -3.676 1.00 0.00 H new ATOM 374 N ALA B 27 2.553 -0.724 -0.842 1.00 0.00 N ATOM 375 CA ALA B 27 3.131 -2.011 -0.495 1.00 0.00 C ATOM 376 C ALA B 27 2.254 -3.163 -0.978 1.00 0.00 C ATOM 377 O ALA B 27 2.753 -4.171 -1.473 1.00 0.00 O ATOM 378 CB ALA B 27 3.324 -2.061 1.018 1.00 0.00 C ATOM 0 H ALA B 27 1.708 -0.513 -0.311 1.00 0.00 H new ATOM 0 HA ALA B 27 4.095 -2.123 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.758 -3.021 1.298 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.993 -1.257 1.326 1.00 0.00 H new ATOM 0 HB3 ALA B 27 2.360 -1.940 1.512 1.00 0.00 H new ATOM 384 N TYR B 28 0.940 -3.006 -0.820 1.00 0.00 N ATOM 385 CA TYR B 28 -0.058 -4.015 -1.128 1.00 0.00 C ATOM 386 C TYR B 28 -0.100 -4.307 -2.626 1.00 0.00 C ATOM 387 O TYR B 28 -0.197 -5.459 -3.043 1.00 0.00 O ATOM 388 CB TYR B 28 -1.414 -3.484 -0.664 1.00 0.00 C ATOM 389 CG TYR B 28 -2.496 -4.543 -0.606 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.526 -5.457 0.463 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.451 -4.642 -1.635 1.00 0.00 C ATOM 392 CE1 TYR B 28 -3.457 -6.508 0.467 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.385 -5.693 -1.630 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.367 -6.643 -0.595 1.00 0.00 C ATOM 395 OH TYR B 28 -5.231 -7.698 -0.626 1.00 0.00 O ATOM 0 H TYR B 28 0.533 -2.142 -0.462 1.00 0.00 H new ATOM 0 HA TYR B 28 0.191 -4.946 -0.619 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.301 -3.039 0.324 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -1.732 -2.688 -1.338 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -1.831 -5.350 1.283 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -3.466 -3.910 -2.429 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -3.474 -7.212 1.286 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -5.116 -5.770 -2.421 1.00 0.00 H new ATOM 0 HH TYR B 28 -5.791 -7.639 -1.428 1.00 0.00 H new ATOM 405 N CYS B 29 -0.058 -3.228 -3.411 1.00 0.00 N ATOM 406 CA CYS B 29 -0.240 -3.219 -4.857 1.00 0.00 C ATOM 407 C CYS B 29 0.763 -2.300 -5.567 1.00 0.00 C ATOM 408 O CYS B 29 0.950 -2.413 -6.778 1.00 0.00 O ATOM 409 CB CYS B 29 -1.685 -2.834 -5.179 1.00 0.00 C ATOM 410 SG CYS B 29 -2.080 -1.063 -5.181 1.00 0.00 S ATOM 0 H CYS B 29 0.112 -2.295 -3.034 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.043 -4.222 -5.236 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -1.933 -3.238 -6.160 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.336 -3.326 -4.457 1.00 0.00 H new ATOM 415 N LYS B 30 1.440 -1.428 -4.807 1.00 0.00 N ATOM 416 CA LYS B 30 2.504 -0.555 -5.287 1.00 0.00 C ATOM 417 C LYS B 30 2.055 0.412 -6.387 1.00 0.00 C ATOM 418 O LYS B 30 2.852 0.761 -7.254 1.00 0.00 O ATOM 419 CB LYS B 30 3.762 -1.346 -5.677 1.00 0.00 C ATOM 420 CG LYS B 30 4.191 -2.416 -4.660 1.00 0.00 C ATOM 421 CD LYS B 30 3.689 -3.841 -4.918 1.00 0.00 C ATOM 422 CE LYS B 30 4.134 -4.428 -6.260 1.00 0.00 C ATOM 423 NZ LYS B 30 5.584 -4.299 -6.483 1.00 0.00 N ATOM 0 H LYS B 30 1.251 -1.312 -3.811 1.00 0.00 H new ATOM 0 HA LYS B 30 2.772 0.079 -4.442 1.00 0.00 H new ATOM 0 HB2 LYS B 30 3.587 -1.828 -6.639 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.586 -0.646 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS B 30 5.280 -2.438 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS B 30 3.848 -2.106 -3.673 1.00 0.00 H new ATOM 0 HD2 LYS B 30 4.041 -4.489 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.600 -3.844 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.856 -5.481 -6.301 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.600 -3.926 -7.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 5.858 -4.856 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 5.823 -3.299 -6.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 6.096 -4.650 -5.649 1.00 0.00 H new ATOM 437 N GLU B 31 0.795 0.863 -6.343 1.00 0.00 N ATOM 438 CA GLU B 31 0.223 1.708 -7.384 1.00 0.00 C ATOM 439 C GLU B 31 0.760 3.138 -7.413 1.00 0.00 C ATOM 440 O GLU B 31 1.555 3.566 -6.578 1.00 0.00 O ATOM 441 CB GLU B 31 -1.318 1.716 -7.328 1.00 0.00 C ATOM 442 CG GLU B 31 -1.918 0.865 -8.453 1.00 0.00 C ATOM 443 CD GLU B 31 -1.869 1.493 -9.845 1.00 0.00 C ATOM 444 OE1 GLU B 31 -0.747 1.717 -10.351 1.00 0.00 O ATOM 445 OE2 GLU B 31 -2.963 1.709 -10.408 1.00 0.00 O ATOM 0 H GLU B 31 0.149 0.649 -5.583 1.00 0.00 H new ATOM 0 HA GLU B 31 0.549 1.247 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.651 1.335 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.682 2.740 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -1.392 -0.089 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -2.957 0.648 -8.207 1.00 0.00 H new ATOM 452 N LYS B 32 0.246 3.843 -8.423 1.00 0.00 N ATOM 453 CA LYS B 32 0.347 5.228 -8.784 1.00 0.00 C ATOM 454 C LYS B 32 0.721 6.195 -7.657 1.00 0.00 C ATOM 455 O LYS B 32 1.879 6.602 -7.576 1.00 0.00 O ATOM 456 CB LYS B 32 -1.035 5.534 -9.361 1.00 0.00 C ATOM 457 CG LYS B 32 -1.182 5.076 -10.815 1.00 0.00 C ATOM 458 CD LYS B 32 -2.669 4.916 -11.156 1.00 0.00 C ATOM 459 CE LYS B 32 -2.876 4.411 -12.588 1.00 0.00 C ATOM 460 NZ LYS B 32 -2.337 3.052 -12.771 1.00 0.00 N ATOM 0 H LYS B 32 -0.341 3.360 -9.103 1.00 0.00 H new ATOM 0 HA LYS B 32 1.175 5.380 -9.476 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.795 5.045 -8.752 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -1.220 6.607 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -0.721 5.803 -11.484 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -0.661 4.130 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -3.129 4.219 -10.455 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.175 5.873 -11.032 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -3.940 4.415 -12.825 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -2.391 5.092 -13.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -2.628 2.685 -13.700 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -1.299 3.081 -12.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -2.704 2.429 -12.023 1.00 0.00 H new ATOM 474 N GLY B 33 -0.255 6.610 -6.837 1.00 0.00 N ATOM 475 CA GLY B 33 -0.066 7.704 -5.894 1.00 0.00 C ATOM 476 C GLY B 33 -0.878 7.557 -4.612 1.00 0.00 C ATOM 477 O GLY B 33 -1.543 8.500 -4.189 1.00 0.00 O ATOM 0 H GLY B 33 -1.187 6.196 -6.814 1.00 0.00 H new ATOM 0 HA2 GLY B 33 0.991 7.772 -5.638 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -0.337 8.641 -6.380 1.00 0.00 H new ATOM 481 N HIS B 34 -0.797 6.378 -3.990 1.00 0.00 N ATOM 482 CA HIS B 34 -1.292 6.140 -2.639 1.00 0.00 C ATOM 483 C HIS B 34 -0.282 5.242 -1.917 1.00 0.00 C ATOM 484 O HIS B 34 0.807 4.989 -2.433 1.00 0.00 O ATOM 485 CB HIS B 34 -2.737 5.603 -2.624 1.00 0.00 C ATOM 486 CG HIS B 34 -2.906 4.203 -3.158 1.00 0.00 C ATOM 487 ND1 HIS B 34 -3.698 3.850 -4.228 1.00 0.00 N ATOM 488 CD2 HIS B 34 -2.386 3.013 -2.738 1.00 0.00 C ATOM 489 CE1 HIS B 34 -3.544 2.522 -4.383 1.00 0.00 C ATOM 490 NE2 HIS B 34 -2.778 1.905 -3.468 1.00 0.00 N ATOM 0 H HIS B 34 -0.379 5.553 -4.420 1.00 0.00 H new ATOM 0 HA HIS B 34 -1.367 7.082 -2.095 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.108 5.631 -1.599 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -3.364 6.276 -3.209 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.283 4.469 -4.789 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -1.715 2.941 -1.895 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.009 1.984 -5.196 1.00 0.00 H new ATOM 498 N TRP B 35 -0.641 4.772 -0.719 1.00 0.00 N ATOM 499 CA TRP B 35 0.217 3.976 0.142 1.00 0.00 C ATOM 500 C TRP B 35 -0.517 2.745 0.668 1.00 0.00 C ATOM 501 O TRP B 35 -1.726 2.636 0.494 1.00 0.00 O ATOM 502 CB TRP B 35 0.725 4.894 1.257 1.00 0.00 C ATOM 503 CG TRP B 35 2.177 4.797 1.577 1.00 0.00 C ATOM 504 CD1 TRP B 35 3.172 4.518 0.710 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.820 5.013 2.858 1.00 0.00 C ATOM 506 NE1 TRP B 35 4.369 4.467 1.380 1.00 0.00 N ATOM 507 CE2 TRP B 35 4.214 4.770 2.714 1.00 0.00 C ATOM 508 CE3 TRP B 35 2.365 5.432 4.120 1.00 0.00 C ATOM 509 CZ2 TRP B 35 5.105 4.874 3.790 1.00 0.00 C ATOM 510 CZ3 TRP B 35 3.235 5.510 5.215 1.00 0.00 C ATOM 511 CH2 TRP B 35 4.604 5.241 5.048 1.00 0.00 C ATOM 0 H TRP B 35 -1.563 4.943 -0.317 1.00 0.00 H new ATOM 0 HA TRP B 35 1.070 3.583 -0.412 1.00 0.00 H new ATOM 0 HB2 TRP B 35 0.503 5.925 0.980 1.00 0.00 H new ATOM 0 HB3 TRP B 35 0.159 4.678 2.163 1.00 0.00 H new ATOM 0 HD1 TRP B 35 3.046 4.359 -0.351 1.00 0.00 H new ATOM 0 HE1 TRP B 35 5.261 4.234 0.944 1.00 0.00 H new ATOM 0 HE3 TRP B 35 1.326 5.699 4.248 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 6.158 4.675 3.654 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.853 5.777 6.189 1.00 0.00 H new ATOM 0 HH2 TRP B 35 5.274 5.317 5.892 1.00 0.00 H new ATOM 522 N ALA B 36 0.195 1.814 1.317 1.00 0.00 N ATOM 523 CA ALA B 36 -0.424 0.608 1.863 1.00 0.00 C ATOM 524 C ALA B 36 -1.398 1.016 2.963 1.00 0.00 C ATOM 525 O ALA B 36 -2.519 0.516 3.038 1.00 0.00 O ATOM 526 CB ALA B 36 0.639 -0.364 2.366 1.00 0.00 C ATOM 0 H ALA B 36 1.201 1.877 1.475 1.00 0.00 H new ATOM 0 HA ALA B 36 -0.978 0.084 1.084 1.00 0.00 H new ATOM 0 HB1 ALA B 36 0.156 -1.255 2.768 1.00 0.00 H new ATOM 0 HB2 ALA B 36 1.293 -0.647 1.541 1.00 0.00 H new ATOM 0 HB3 ALA B 36 1.228 0.114 3.149 1.00 0.00 H new ATOM 532 N LYS B 37 -0.954 1.994 3.758 1.00 0.00 N ATOM 533 CA LYS B 37 -1.712 2.748 4.740 1.00 0.00 C ATOM 534 C LYS B 37 -3.027 3.304 4.163 1.00 0.00 C ATOM 535 O LYS B 37 -3.961 3.552 4.921 1.00 0.00 O ATOM 536 CB LYS B 37 -0.772 3.845 5.264 1.00 0.00 C ATOM 537 CG LYS B 37 -1.463 5.105 5.779 1.00 0.00 C ATOM 538 CD LYS B 37 -0.540 5.926 6.691 1.00 0.00 C ATOM 539 CE LYS B 37 -1.112 7.325 6.942 1.00 0.00 C ATOM 540 NZ LYS B 37 -0.250 8.114 7.843 1.00 0.00 N ATOM 0 H LYS B 37 0.020 2.296 3.723 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.035 2.107 5.560 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.167 3.428 6.069 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.088 4.127 4.464 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -1.779 5.718 4.935 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.364 4.828 6.327 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -0.408 5.408 7.641 1.00 0.00 H new ATOM 0 HD3 LYS B 37 0.446 6.010 6.234 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -1.222 7.849 5.992 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -2.108 7.238 7.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -0.450 9.127 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -0.440 7.844 8.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 0.748 7.928 7.619 1.00 0.00 H new ATOM 554 N ASP B 38 -3.097 3.513 2.841 1.00 0.00 N ATOM 555 CA ASP B 38 -4.203 4.152 2.146 1.00 0.00 C ATOM 556 C ASP B 38 -4.705 3.306 0.961 1.00 0.00 C ATOM 557 O ASP B 38 -5.309 3.852 0.041 1.00 0.00 O ATOM 558 CB ASP B 38 -3.668 5.499 1.642 1.00 0.00 C ATOM 559 CG ASP B 38 -4.774 6.449 1.191 1.00 0.00 C ATOM 560 OD1 ASP B 38 -5.562 6.863 2.068 1.00 0.00 O ATOM 561 OD2 ASP B 38 -4.821 6.744 -0.023 1.00 0.00 O ATOM 0 H ASP B 38 -2.350 3.227 2.209 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.052 4.272 2.818 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -3.090 5.974 2.435 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -2.985 5.324 0.810 1.00 0.00 H new ATOM 566 N CYS B 39 -4.446 1.991 0.928 1.00 0.00 N ATOM 567 CA CYS B 39 -4.714 1.216 -0.278 1.00 0.00 C ATOM 568 C CYS B 39 -6.214 0.912 -0.398 1.00 0.00 C ATOM 569 O CYS B 39 -6.787 0.330 0.523 1.00 0.00 O ATOM 570 CB CYS B 39 -3.883 -0.064 -0.291 1.00 0.00 C ATOM 571 SG CYS B 39 -3.940 -1.002 -1.843 1.00 0.00 S ATOM 0 H CYS B 39 -4.060 1.457 1.707 1.00 0.00 H new ATOM 0 HA CYS B 39 -4.422 1.808 -1.145 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -2.845 0.193 -0.077 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.225 -0.709 0.518 1.00 0.00 H new ATOM 576 N PRO B 40 -6.861 1.293 -1.513 1.00 0.00 N ATOM 577 CA PRO B 40 -8.276 1.069 -1.753 1.00 0.00 C ATOM 578 C PRO B 40 -8.566 -0.386 -2.141 1.00 0.00 C ATOM 579 O PRO B 40 -9.672 -0.871 -1.912 1.00 0.00 O ATOM 580 CB PRO B 40 -8.631 2.045 -2.866 1.00 0.00 C ATOM 581 CG PRO B 40 -7.365 2.077 -3.716 1.00 0.00 C ATOM 582 CD PRO B 40 -6.264 1.943 -2.667 1.00 0.00 C ATOM 0 HA PRO B 40 -8.878 1.236 -0.860 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -9.493 1.705 -3.440 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -8.878 3.031 -2.473 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.340 1.261 -4.438 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.278 3.005 -4.281 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -5.431 1.356 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -5.866 2.921 -2.397 1.00 0.00 H new ATOM 590 N LYS B 41 -7.579 -1.078 -2.726 1.00 0.00 N ATOM 591 CA LYS B 41 -7.699 -2.459 -3.167 1.00 0.00 C ATOM 592 C LYS B 41 -7.789 -3.416 -1.982 1.00 0.00 C ATOM 593 O LYS B 41 -8.415 -4.469 -2.089 1.00 0.00 O ATOM 594 CB LYS B 41 -6.498 -2.843 -4.035 1.00 0.00 C ATOM 595 CG LYS B 41 -6.269 -1.852 -5.183 1.00 0.00 C ATOM 596 CD LYS B 41 -5.259 -2.405 -6.195 1.00 0.00 C ATOM 597 CE LYS B 41 -5.855 -3.481 -7.110 1.00 0.00 C ATOM 598 NZ LYS B 41 -4.820 -4.070 -7.975 1.00 0.00 N ATOM 0 H LYS B 41 -6.658 -0.677 -2.906 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.617 -2.540 -3.749 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.604 -2.889 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.653 -3.841 -4.445 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -7.215 -1.646 -5.684 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -5.907 -0.905 -4.783 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -4.880 -1.586 -6.806 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -4.407 -2.823 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -6.317 -4.262 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -6.643 -3.045 -7.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -5.249 -4.795 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -4.397 -3.326 -8.566 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -4.082 -4.505 -7.386 1.00 0.00 H new ATOM 612 N LYS B 42 -7.136 -3.055 -0.870 1.00 0.00 N ATOM 613 CA LYS B 42 -7.069 -3.862 0.336 1.00 0.00 C ATOM 614 C LYS B 42 -8.481 -4.270 0.786 1.00 0.00 C ATOM 615 O LYS B 42 -9.359 -3.409 0.835 1.00 0.00 O ATOM 616 CB LYS B 42 -6.353 -3.044 1.417 1.00 0.00 C ATOM 617 CG LYS B 42 -5.831 -3.908 2.571 1.00 0.00 C ATOM 618 CD LYS B 42 -5.361 -3.076 3.773 1.00 0.00 C ATOM 619 CE LYS B 42 -4.506 -1.852 3.419 1.00 0.00 C ATOM 620 NZ LYS B 42 -3.322 -2.197 2.614 1.00 0.00 N ATOM 0 H LYS B 42 -6.631 -2.172 -0.791 1.00 0.00 H new ATOM 0 HA LYS B 42 -6.514 -4.781 0.149 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -5.519 -2.507 0.966 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -7.039 -2.295 1.812 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -6.618 -4.590 2.893 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -5.004 -4.521 2.214 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -6.237 -2.740 4.328 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -4.788 -3.720 4.440 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -5.116 -1.135 2.870 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -4.185 -1.361 4.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -2.720 -1.356 2.504 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -2.784 -2.948 3.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -3.625 -2.531 1.677 1.00 0.00 H new ATOM 634 N PRO B 43 -8.731 -5.557 1.095 1.00 0.00 N ATOM 635 CA PRO B 43 -10.047 -6.038 1.494 1.00 0.00 C ATOM 636 C PRO B 43 -10.468 -5.352 2.793 1.00 0.00 C ATOM 637 O PRO B 43 -9.780 -5.466 3.806 1.00 0.00 O ATOM 638 CB PRO B 43 -9.916 -7.557 1.639 1.00 0.00 C ATOM 639 CG PRO B 43 -8.426 -7.766 1.905 1.00 0.00 C ATOM 640 CD PRO B 43 -7.779 -6.655 1.081 1.00 0.00 C ATOM 0 HA PRO B 43 -10.823 -5.807 0.764 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -10.526 -7.935 2.459 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -10.238 -8.075 0.736 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -8.187 -7.676 2.965 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -8.092 -8.753 1.586 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -6.824 -6.352 1.511 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -7.578 -6.988 0.063 1.00 0.00 H new ATOM 648 N ARG B 44 -11.580 -4.606 2.730 1.00 0.00 N ATOM 649 CA ARG B 44 -12.036 -3.696 3.770 1.00 0.00 C ATOM 650 C ARG B 44 -10.898 -2.735 4.119 1.00 0.00 C ATOM 651 O ARG B 44 -10.360 -2.754 5.225 1.00 0.00 O ATOM 652 CB ARG B 44 -12.610 -4.462 4.975 1.00 0.00 C ATOM 653 CG ARG B 44 -13.180 -3.578 6.101 1.00 0.00 C ATOM 654 CD ARG B 44 -14.196 -2.528 5.632 1.00 0.00 C ATOM 655 NE ARG B 44 -13.549 -1.341 5.046 1.00 0.00 N ATOM 656 CZ ARG B 44 -14.159 -0.449 4.247 1.00 0.00 C ATOM 657 NH1 ARG B 44 -15.467 -0.559 3.974 1.00 0.00 N ATOM 658 NH2 ARG B 44 -13.452 0.561 3.724 1.00 0.00 N ATOM 0 H ARG B 44 -12.203 -4.626 1.922 1.00 0.00 H new ATOM 0 HA ARG B 44 -12.869 -3.093 3.409 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -13.399 -5.126 4.621 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -11.825 -5.093 5.392 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -13.655 -4.219 6.844 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -12.355 -3.070 6.600 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -14.863 -2.976 4.895 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -14.814 -2.222 6.476 1.00 0.00 H new ATOM 0 HE ARG B 44 -12.565 -1.185 5.263 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -16.009 -1.325 4.374 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -15.920 0.123 3.366 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -12.458 0.649 3.933 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -13.908 1.242 3.117 1.00 0.00 H new ATOM 672 N GLY B 45 -10.529 -1.896 3.146 1.00 0.00 N ATOM 673 CA GLY B 45 -9.400 -0.992 3.261 1.00 0.00 C ATOM 674 C GLY B 45 -9.615 0.051 4.360 1.00 0.00 C ATOM 675 O GLY B 45 -10.746 0.263 4.800 1.00 0.00 O ATOM 0 H GLY B 45 -11.015 -1.831 2.252 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -8.497 -1.564 3.475 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -9.240 -0.488 2.308 1.00 0.00 H new ATOM 679 N PRO B 46 -8.530 0.695 4.817 1.00 0.00 N ATOM 680 CA PRO B 46 -8.562 1.720 5.848 1.00 0.00 C ATOM 681 C PRO B 46 -9.459 2.876 5.408 1.00 0.00 C ATOM 682 O PRO B 46 -10.413 3.211 6.108 1.00 0.00 O ATOM 683 CB PRO B 46 -7.103 2.136 6.074 1.00 0.00 C ATOM 684 CG PRO B 46 -6.379 1.702 4.800 1.00 0.00 C ATOM 685 CD PRO B 46 -7.180 0.496 4.324 1.00 0.00 C ATOM 0 HA PRO B 46 -8.988 1.364 6.786 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -7.017 3.211 6.233 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -6.683 1.649 6.954 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -6.370 2.497 4.054 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -5.340 1.440 4.999 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -7.168 0.424 3.236 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -6.756 -0.431 4.710 1.00 0.00 H new ATOM 693 N ARG B 47 -9.186 3.436 4.225 1.00 0.00 N ATOM 694 CA ARG B 47 -10.051 4.417 3.588 1.00 0.00 C ATOM 695 C ARG B 47 -11.333 3.757 3.071 1.00 0.00 C ATOM 696 O ARG B 47 -11.402 2.536 2.931 1.00 0.00 O ATOM 697 CB ARG B 47 -9.293 5.133 2.461 1.00 0.00 C ATOM 698 CG ARG B 47 -8.915 4.203 1.296 1.00 0.00 C ATOM 699 CD ARG B 47 -8.157 4.980 0.217 1.00 0.00 C ATOM 700 NE ARG B 47 -9.008 5.983 -0.435 1.00 0.00 N ATOM 701 CZ ARG B 47 -8.566 7.049 -1.125 1.00 0.00 C ATOM 702 NH1 ARG B 47 -7.258 7.323 -1.236 1.00 0.00 N ATOM 703 NH2 ARG B 47 -9.455 7.858 -1.716 1.00 0.00 N ATOM 0 H ARG B 47 -8.350 3.215 3.684 1.00 0.00 H new ATOM 0 HA ARG B 47 -10.344 5.162 4.327 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -9.907 5.949 2.081 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -8.386 5.580 2.869 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -8.299 3.382 1.663 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -9.815 3.760 0.869 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -7.293 5.472 0.663 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -7.777 4.285 -0.531 1.00 0.00 H new ATOM 0 HE ARG B 47 -10.018 5.861 -0.358 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -6.570 6.716 -0.791 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -6.951 8.139 -1.766 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -10.453 7.662 -1.639 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -9.134 8.670 -2.243 1.00 0.00 H new ATOM 717 N GLY B 48 -12.339 4.586 2.771 1.00 0.00 N ATOM 718 CA GLY B 48 -13.616 4.175 2.207 1.00 0.00 C ATOM 719 C GLY B 48 -14.776 4.619 3.100 1.00 0.00 C ATOM 720 O GLY B 48 -14.553 5.199 4.163 1.00 0.00 O ATOM 0 H GLY B 48 -12.278 5.593 2.922 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -13.733 4.604 1.212 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -13.635 3.091 2.091 1.00 0.00 H new ATOM 724 N PRO B 49 -16.023 4.346 2.683 1.00 0.00 N ATOM 725 CA PRO B 49 -17.227 4.753 3.378 1.00 0.00 C ATOM 726 C PRO B 49 -17.549 3.653 4.384 1.00 0.00 C ATOM 727 O PRO B 49 -18.554 2.957 4.260 1.00 0.00 O ATOM 728 CB PRO B 49 -18.270 4.875 2.265 1.00 0.00 C ATOM 729 CG PRO B 49 -17.883 3.748 1.303 1.00 0.00 C ATOM 730 CD PRO B 49 -16.371 3.585 1.497 1.00 0.00 C ATOM 0 HA PRO B 49 -17.165 5.689 3.933 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -19.283 4.750 2.646 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -18.230 5.850 1.780 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -18.415 2.826 1.536 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -18.126 4.004 0.272 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -16.107 2.535 1.619 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -15.826 3.952 0.627 1.00 0.00 H new ATOM 738 N ARG B 50 -16.652 3.476 5.360 1.00 0.00 N ATOM 739 CA ARG B 50 -16.659 2.351 6.278 1.00 0.00 C ATOM 740 C ARG B 50 -18.029 2.022 6.891 1.00 0.00 C ATOM 741 O ARG B 50 -18.404 0.850 6.859 1.00 0.00 O ATOM 742 CB ARG B 50 -15.577 2.527 7.353 1.00 0.00 C ATOM 743 CG ARG B 50 -14.263 1.919 6.857 1.00 0.00 C ATOM 744 CD ARG B 50 -13.134 2.087 7.875 1.00 0.00 C ATOM 745 NE ARG B 50 -12.005 1.208 7.542 1.00 0.00 N ATOM 746 CZ ARG B 50 -11.903 -0.090 7.881 1.00 0.00 C ATOM 747 NH1 ARG B 50 -12.855 -0.692 8.608 1.00 0.00 N ATOM 748 NH2 ARG B 50 -10.844 -0.800 7.477 1.00 0.00 N ATOM 0 H ARG B 50 -15.888 4.130 5.531 1.00 0.00 H new ATOM 0 HA ARG B 50 -16.423 1.476 5.673 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -15.439 3.585 7.576 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -15.887 2.044 8.279 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -14.409 0.859 6.650 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -13.977 2.391 5.917 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -12.802 3.125 7.890 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -13.501 1.855 8.875 1.00 0.00 H new ATOM 0 HE ARG B 50 -11.236 1.615 7.010 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -13.673 -0.165 8.913 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -12.761 -1.677 8.856 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -10.118 -0.357 6.914 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -10.763 -1.784 7.732 1.00 0.00 H new ATOM 762 N PRO B 51 -18.791 2.988 7.437 1.00 0.00 N ATOM 763 CA PRO B 51 -20.142 2.733 7.916 1.00 0.00 C ATOM 764 C PRO B 51 -21.108 2.620 6.727 1.00 0.00 C ATOM 765 O PRO B 51 -21.878 3.538 6.450 1.00 0.00 O ATOM 766 CB PRO B 51 -20.463 3.904 8.851 1.00 0.00 C ATOM 767 CG PRO B 51 -19.662 5.054 8.246 1.00 0.00 C ATOM 768 CD PRO B 51 -18.402 4.362 7.726 1.00 0.00 C ATOM 0 HA PRO B 51 -20.240 1.790 8.453 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -21.531 4.123 8.872 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -20.160 3.696 9.877 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -20.210 5.549 7.444 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -19.426 5.816 8.989 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -18.025 4.858 6.831 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -17.604 4.394 8.468 1.00 0.00 H new ATOM 776 N GLN B 52 -21.057 1.474 6.036 1.00 0.00 N ATOM 777 CA GLN B 52 -21.923 1.112 4.917 1.00 0.00 C ATOM 778 C GLN B 52 -22.659 -0.193 5.238 1.00 0.00 C ATOM 779 O GLN B 52 -22.788 -1.070 4.386 1.00 0.00 O ATOM 780 CB GLN B 52 -21.101 1.037 3.617 1.00 0.00 C ATOM 781 CG GLN B 52 -19.923 0.048 3.682 1.00 0.00 C ATOM 782 CD GLN B 52 -18.996 0.169 2.474 1.00 0.00 C ATOM 783 OE1 GLN B 52 -17.800 0.417 2.626 1.00 0.00 O ATOM 784 NE2 GLN B 52 -19.538 -0.015 1.269 1.00 0.00 N ATOM 0 H GLN B 52 -20.379 0.744 6.255 1.00 0.00 H new ATOM 0 HA GLN B 52 -22.682 1.879 4.763 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -21.760 0.749 2.798 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -20.717 2.030 3.383 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -19.353 0.225 4.594 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -20.309 -0.970 3.740 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -20.534 -0.219 1.183 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -18.957 0.048 0.433 1.00 0.00 H new ATOM 793 N THR B 53 -23.144 -0.311 6.480 1.00 0.00 N ATOM 794 CA THR B 53 -23.842 -1.479 6.996 1.00 0.00 C ATOM 795 C THR B 53 -24.570 -1.102 8.291 1.00 0.00 C ATOM 796 O THR B 53 -25.315 -1.972 8.793 1.00 0.00 O ATOM 797 CB THR B 53 -22.854 -2.642 7.209 1.00 0.00 C ATOM 798 OG1 THR B 53 -23.556 -3.793 7.630 1.00 0.00 O ATOM 799 CG2 THR B 53 -21.765 -2.310 8.237 1.00 0.00 C ATOM 800 OXT THR B 53 -24.360 0.037 8.765 1.00 0.00 O ATOM 0 H THR B 53 -23.055 0.433 7.171 1.00 0.00 H new ATOM 0 HA THR B 53 -24.585 -1.817 6.273 1.00 0.00 H new ATOM 0 HB THR B 53 -22.361 -2.822 6.254 1.00 0.00 H new ATOM 0 HG1 THR B 53 -24.338 -3.525 8.156 1.00 0.00 H new ATOM 0 HG21 THR B 53 -21.097 -3.164 8.348 1.00 0.00 H new ATOM 0 HG22 THR B 53 -21.195 -1.445 7.897 1.00 0.00 H new ATOM 0 HG23 THR B 53 -22.228 -2.085 9.198 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.268 -0.031 -3.139 1.00 0.00 ZN