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 48:sc= 0.00912 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= 0.479 K(o=0.48,f=-4.5!) USER MOD Single : B 25 GLN : amide:sc= 0.731 K(o=0.73,f=-4.9!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -148:sc= 1.71 (180deg=0.305) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ -156:sc= 1.26 (180deg=0.478) USER MOD Single : B 41 LYS NZ :NH3+ 170:sc= 1.01 (180deg=0.936) USER MOD Single : B 42 LYS NZ :NH3+ 177:sc= 0.66 (180deg=0.632) USER MOD Single : B 52 GLN : amide:sc= -1.01 X(o=-1,f=-0.99) USER MOD Single : B 53 THR OG1 : rot 23:sc= 0.948 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.168 -7.407 -0.097 1.00 0.00 O ATOM 2 C5' DA A 1 1.343 -7.251 0.669 1.00 0.00 C ATOM 3 C4' DA A 1 0.998 -6.934 2.132 1.00 0.00 C ATOM 4 O4' DA A 1 2.166 -7.069 2.926 1.00 0.00 O ATOM 5 C3' DA A 1 0.453 -5.520 2.353 1.00 0.00 C ATOM 6 O3' DA A 1 -0.357 -5.490 3.522 1.00 0.00 O ATOM 7 C2' DA A 1 1.767 -4.808 2.591 1.00 0.00 C ATOM 8 C1' DA A 1 2.461 -5.813 3.502 1.00 0.00 C ATOM 9 N9 DA A 1 3.925 -5.639 3.597 1.00 0.00 N ATOM 10 C8 DA A 1 4.807 -5.208 2.642 1.00 0.00 C ATOM 11 N7 DA A 1 6.058 -5.235 3.010 1.00 0.00 N ATOM 12 C5 DA A 1 6.000 -5.695 4.322 1.00 0.00 C ATOM 13 C6 DA A 1 6.983 -5.921 5.310 1.00 0.00 C ATOM 14 N6 DA A 1 8.288 -5.712 5.109 1.00 0.00 N ATOM 15 N1 DA A 1 6.586 -6.361 6.520 1.00 0.00 N ATOM 16 C2 DA A 1 5.288 -6.552 6.745 1.00 0.00 C ATOM 17 N3 DA A 1 4.270 -6.367 5.909 1.00 0.00 N ATOM 18 C4 DA A 1 4.700 -5.930 4.694 1.00 0.00 C ATOM 0 H5' DA A 1 1.952 -6.449 0.251 1.00 0.00 H new ATOM 0 H5'' DA A 1 1.939 -8.162 0.620 1.00 0.00 H new ATOM 0 H4' DA A 1 0.215 -7.638 2.413 1.00 0.00 H new ATOM 0 H3' DA A 1 -0.170 -5.109 1.559 1.00 0.00 H new ATOM 0 H2' DA A 1 2.319 -4.635 1.667 1.00 0.00 H new ATOM 0 H2'' DA A 1 1.633 -3.838 3.069 1.00 0.00 H new ATOM 0 HO5' DA A 1 -0.442 -6.662 0.084 1.00 0.00 H new ATOM 0 H1' DA A 1 2.106 -5.692 4.525 1.00 0.00 H new ATOM 0 H8 DA A 1 4.492 -4.873 1.665 1.00 0.00 H new ATOM 0 H61 DA A 1 8.955 -5.892 5.859 1.00 0.00 H new ATOM 0 H62 DA A 1 8.617 -5.372 4.205 1.00 0.00 H new ATOM 0 H2 DA A 1 5.028 -6.902 7.733 1.00 0.00 H new ATOM 31 P DC A 2 -1.543 -4.411 3.730 1.00 0.00 P ATOM 32 OP1 DC A 2 -2.191 -4.676 5.035 1.00 0.00 O ATOM 33 OP2 DC A 2 -2.383 -4.425 2.513 1.00 0.00 O ATOM 34 O5' DC A 2 -0.829 -2.969 3.808 1.00 0.00 O ATOM 35 C5' DC A 2 -0.806 -2.151 4.970 1.00 0.00 C ATOM 36 C4' DC A 2 0.343 -2.532 5.910 1.00 0.00 C ATOM 37 O4' DC A 2 1.503 -2.776 5.144 1.00 0.00 O ATOM 38 C3' DC A 2 0.759 -1.396 6.860 1.00 0.00 C ATOM 39 O3' DC A 2 0.213 -1.522 8.161 1.00 0.00 O ATOM 40 C2' DC A 2 2.288 -1.512 6.883 1.00 0.00 C ATOM 41 C1' DC A 2 2.591 -2.730 6.031 1.00 0.00 C ATOM 42 N1 DC A 2 3.913 -2.578 5.374 1.00 0.00 N ATOM 43 C2 DC A 2 5.063 -2.894 6.100 1.00 0.00 C ATOM 44 O2 DC A 2 4.989 -3.278 7.265 1.00 0.00 O ATOM 45 N3 DC A 2 6.275 -2.773 5.483 1.00 0.00 N ATOM 46 C4 DC A 2 6.364 -2.374 4.206 1.00 0.00 C ATOM 47 N4 DC A 2 7.568 -2.302 3.628 1.00 0.00 N ATOM 48 C5 DC A 2 5.193 -2.027 3.453 1.00 0.00 C ATOM 49 C6 DC A 2 4.003 -2.118 4.088 1.00 0.00 C ATOM 0 H5' DC A 2 -1.755 -2.244 5.499 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.705 -1.106 4.677 1.00 0.00 H new ATOM 0 H4' DC A 2 -0.018 -3.390 6.477 1.00 0.00 H new ATOM 0 H3' DC A 2 0.393 -0.427 6.521 1.00 0.00 H new ATOM 0 H2' DC A 2 2.760 -0.617 6.477 1.00 0.00 H new ATOM 0 H2'' DC A 2 2.661 -1.636 7.900 1.00 0.00 H new ATOM 0 H1' DC A 2 2.681 -3.667 6.581 1.00 0.00 H new ATOM 0 H41 DC A 2 7.650 -2.000 2.657 1.00 0.00 H new ATOM 0 H42 DC A 2 8.404 -2.549 4.158 1.00 0.00 H new ATOM 0 H5 DC A 2 5.259 -1.707 2.424 1.00 0.00 H new ATOM 0 H6 DC A 2 3.104 -1.821 3.569 1.00 0.00 H new ATOM 61 P DG A 3 0.208 -0.273 9.197 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.129 -0.788 10.541 1.00 0.00 O ATOM 63 OP2 DG A 3 -0.617 0.808 8.606 1.00 0.00 O ATOM 64 O5' DG A 3 1.753 0.212 9.220 1.00 0.00 O ATOM 65 C5' DG A 3 2.102 1.573 9.381 1.00 0.00 C ATOM 66 C4' DG A 3 3.594 1.826 9.090 1.00 0.00 C ATOM 67 O4' DG A 3 3.935 1.246 7.836 1.00 0.00 O ATOM 68 C3' DG A 3 3.792 3.342 8.963 1.00 0.00 C ATOM 69 O3' DG A 3 5.016 3.885 9.462 1.00 0.00 O ATOM 70 C2' DG A 3 3.528 3.556 7.482 1.00 0.00 C ATOM 71 C1' DG A 3 4.022 2.250 6.839 1.00 0.00 C ATOM 72 N9 DG A 3 3.275 1.858 5.618 1.00 0.00 N ATOM 73 C8 DG A 3 1.920 1.813 5.421 1.00 0.00 C ATOM 74 N7 DG A 3 1.564 1.586 4.189 1.00 0.00 N ATOM 75 C5 DG A 3 2.768 1.424 3.519 1.00 0.00 C ATOM 76 C6 DG A 3 3.025 1.218 2.129 1.00 0.00 C ATOM 77 O6 DG A 3 2.225 1.220 1.198 1.00 0.00 O ATOM 78 N1 DG A 3 4.373 1.012 1.861 1.00 0.00 N ATOM 79 C2 DG A 3 5.358 0.984 2.827 1.00 0.00 C ATOM 80 N2 DG A 3 6.575 0.615 2.424 1.00 0.00 N ATOM 81 N3 DG A 3 5.136 1.263 4.124 1.00 0.00 N ATOM 82 C4 DG A 3 3.820 1.487 4.404 1.00 0.00 C ATOM 0 H5' DG A 3 1.873 1.888 10.399 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.494 2.184 8.714 1.00 0.00 H new ATOM 0 H4' DG A 3 4.208 1.400 9.884 1.00 0.00 H new ATOM 0 H3' DG A 3 3.125 3.905 9.616 1.00 0.00 H new ATOM 0 H2' DG A 3 2.470 3.727 7.283 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.068 4.422 7.099 1.00 0.00 H new ATOM 0 H1' DG A 3 5.046 2.392 6.494 1.00 0.00 H new ATOM 0 H8 DG A 3 1.207 1.954 6.220 1.00 0.00 H new ATOM 0 H1 DG A 3 4.652 0.873 0.890 1.00 0.00 H new ATOM 0 H21 DG A 3 7.344 0.575 3.093 1.00 0.00 H new ATOM 0 H22 DG A 3 6.737 0.372 1.447 1.00 0.00 H new ATOM 94 P DC A 4 6.492 3.748 8.791 1.00 0.00 P ATOM 95 OP1 DC A 4 6.680 2.361 8.309 1.00 0.00 O ATOM 96 OP2 DC A 4 7.456 4.289 9.773 1.00 0.00 O ATOM 97 O5' DC A 4 6.491 4.766 7.515 1.00 0.00 O ATOM 98 C5' DC A 4 7.694 5.053 6.815 1.00 0.00 C ATOM 99 C4' DC A 4 7.632 6.206 5.798 1.00 0.00 C ATOM 100 O4' DC A 4 6.756 5.993 4.701 1.00 0.00 O ATOM 101 C3' DC A 4 7.220 7.557 6.384 1.00 0.00 C ATOM 102 O3' DC A 4 8.338 8.298 6.843 1.00 0.00 O ATOM 103 C2' DC A 4 6.574 8.248 5.179 1.00 0.00 C ATOM 104 C1' DC A 4 6.708 7.240 4.033 1.00 0.00 C ATOM 105 N1 DC A 4 5.657 7.378 2.972 1.00 0.00 N ATOM 106 C2 DC A 4 6.052 7.390 1.625 1.00 0.00 C ATOM 107 O2 DC A 4 7.235 7.321 1.298 1.00 0.00 O ATOM 108 N3 DC A 4 5.092 7.486 0.660 1.00 0.00 N ATOM 109 C4 DC A 4 3.795 7.580 0.972 1.00 0.00 C ATOM 110 N4 DC A 4 2.898 7.634 -0.019 1.00 0.00 N ATOM 111 C5 DC A 4 3.364 7.616 2.338 1.00 0.00 C ATOM 112 C6 DC A 4 4.324 7.510 3.290 1.00 0.00 C ATOM 0 H5' DC A 4 8.008 4.151 6.291 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.469 5.283 7.546 1.00 0.00 H new ATOM 0 H4' DC A 4 8.670 6.225 5.465 1.00 0.00 H new ATOM 0 H3' DC A 4 6.567 7.464 7.252 1.00 0.00 H new ATOM 0 H2' DC A 4 5.529 8.489 5.374 1.00 0.00 H new ATOM 0 H2'' DC A 4 7.078 9.185 4.943 1.00 0.00 H new ATOM 0 H1' DC A 4 7.600 7.395 3.427 1.00 0.00 H new ATOM 0 H41 DC A 4 1.904 7.706 0.197 1.00 0.00 H new ATOM 0 H42 DC A 4 3.209 7.603 -0.990 1.00 0.00 H new ATOM 0 H5 DC A 4 2.321 7.723 2.598 1.00 0.00 H new ATOM 0 H6 DC A 4 4.034 7.530 4.330 1.00 0.00 H new ATOM 124 P DC A 5 8.199 9.389 8.030 1.00 0.00 P ATOM 125 OP1 DC A 5 9.419 10.227 8.032 1.00 0.00 O ATOM 126 OP2 DC A 5 7.801 8.670 9.260 1.00 0.00 O ATOM 127 O5' DC A 5 6.951 10.308 7.579 1.00 0.00 O ATOM 128 C5' DC A 5 7.098 11.444 6.747 1.00 0.00 C ATOM 129 C4' DC A 5 5.706 11.935 6.332 1.00 0.00 C ATOM 130 O4' DC A 5 5.003 10.897 5.673 1.00 0.00 O ATOM 131 C3' DC A 5 4.835 12.359 7.515 1.00 0.00 C ATOM 132 O3' DC A 5 5.037 13.713 7.858 1.00 0.00 O ATOM 133 C2' DC A 5 3.434 12.126 6.964 1.00 0.00 C ATOM 134 C1' DC A 5 3.614 11.008 5.930 1.00 0.00 C ATOM 135 N1 DC A 5 3.093 9.702 6.432 1.00 0.00 N ATOM 136 C2 DC A 5 2.028 9.080 5.768 1.00 0.00 C ATOM 137 O2 DC A 5 1.533 9.568 4.754 1.00 0.00 O ATOM 138 N3 DC A 5 1.540 7.909 6.273 1.00 0.00 N ATOM 139 C4 DC A 5 2.068 7.351 7.372 1.00 0.00 C ATOM 140 N4 DC A 5 1.525 6.224 7.845 1.00 0.00 N ATOM 141 C5 DC A 5 3.190 7.944 8.042 1.00 0.00 C ATOM 142 C6 DC A 5 3.656 9.111 7.538 1.00 0.00 C ATOM 0 H5' DC A 5 7.688 11.193 5.866 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.634 12.232 7.275 1.00 0.00 H new ATOM 0 H4' DC A 5 5.882 12.797 5.689 1.00 0.00 H new ATOM 0 H3' DC A 5 5.048 11.814 8.434 1.00 0.00 H new ATOM 0 H2' DC A 5 2.741 11.831 7.752 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.031 13.030 6.507 1.00 0.00 H new ATOM 0 HO3' DC A 5 4.462 13.948 8.616 1.00 0.00 H new ATOM 0 H1' DC A 5 3.054 11.252 5.027 1.00 0.00 H new ATOM 0 H41 DC A 5 1.911 5.783 8.680 1.00 0.00 H new ATOM 0 H42 DC A 5 0.725 5.805 7.371 1.00 0.00 H new ATOM 0 H5 DC A 5 3.641 7.481 8.907 1.00 0.00 H new ATOM 0 H6 DC A 5 4.495 9.592 8.019 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 18.151 -14.732 -4.566 1.00 0.00 N ATOM 157 CA GLY B 14 16.898 -14.002 -4.309 1.00 0.00 C ATOM 158 C GLY B 14 17.060 -12.516 -4.607 1.00 0.00 C ATOM 159 O GLY B 14 17.323 -11.723 -3.705 1.00 0.00 O ATOM 0 HA2 GLY B 14 16.099 -14.415 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY B 14 16.601 -14.138 -3.269 1.00 0.00 H new ATOM 165 N GLU B 15 16.934 -12.160 -5.889 1.00 0.00 N ATOM 166 CA GLU B 15 17.258 -10.843 -6.410 1.00 0.00 C ATOM 167 C GLU B 15 16.064 -9.900 -6.255 1.00 0.00 C ATOM 168 O GLU B 15 14.927 -10.344 -6.100 1.00 0.00 O ATOM 169 CB GLU B 15 17.688 -10.963 -7.882 1.00 0.00 C ATOM 170 CG GLU B 15 18.976 -11.785 -8.074 1.00 0.00 C ATOM 171 CD GLU B 15 18.802 -13.267 -7.746 1.00 0.00 C ATOM 172 OE1 GLU B 15 17.930 -13.895 -8.382 1.00 0.00 O ATOM 173 OE2 GLU B 15 19.502 -13.740 -6.823 1.00 0.00 O ATOM 0 H GLU B 15 16.595 -12.802 -6.606 1.00 0.00 H new ATOM 0 HA GLU B 15 18.087 -10.422 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU B 15 16.882 -11.425 -8.452 1.00 0.00 H new ATOM 0 HB3 GLU B 15 17.838 -9.964 -8.292 1.00 0.00 H new ATOM 0 HG2 GLU B 15 19.312 -11.686 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU B 15 19.761 -11.370 -7.442 1.00 0.00 H new ATOM 180 N ARG B 16 16.336 -8.590 -6.289 1.00 0.00 N ATOM 181 CA ARG B 16 15.326 -7.547 -6.152 1.00 0.00 C ATOM 182 C ARG B 16 15.858 -6.222 -6.705 1.00 0.00 C ATOM 183 O ARG B 16 15.146 -5.522 -7.421 1.00 0.00 O ATOM 184 CB ARG B 16 14.915 -7.398 -4.677 1.00 0.00 C ATOM 185 CG ARG B 16 13.561 -6.685 -4.556 1.00 0.00 C ATOM 186 CD ARG B 16 13.211 -6.306 -3.111 1.00 0.00 C ATOM 187 NE ARG B 16 13.245 -7.463 -2.204 1.00 0.00 N ATOM 188 CZ ARG B 16 14.262 -7.811 -1.393 1.00 0.00 C ATOM 189 NH1 ARG B 16 15.400 -7.103 -1.342 1.00 0.00 N ATOM 190 NH2 ARG B 16 14.135 -8.897 -0.620 1.00 0.00 N ATOM 0 H ARG B 16 17.280 -8.225 -6.415 1.00 0.00 H new ATOM 0 HA ARG B 16 14.444 -7.829 -6.727 1.00 0.00 H new ATOM 0 HB2 ARG B 16 14.856 -8.381 -4.211 1.00 0.00 H new ATOM 0 HB3 ARG B 16 15.677 -6.835 -4.138 1.00 0.00 H new ATOM 0 HG2 ARG B 16 13.575 -5.784 -5.169 1.00 0.00 H new ATOM 0 HG3 ARG B 16 12.779 -7.331 -4.956 1.00 0.00 H new ATOM 0 HD2 ARG B 16 13.911 -5.550 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.218 -5.857 -3.086 1.00 0.00 H new ATOM 0 HE ARG B 16 12.418 -8.060 -2.188 1.00 0.00 H new ATOM 0 HH11 ARG B 16 15.513 -6.276 -1.928 1.00 0.00 H new ATOM 0 HH12 ARG B 16 16.153 -7.392 -0.717 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.277 -9.447 -0.651 1.00 0.00 H new ATOM 0 HH22 ARG B 16 14.896 -9.174 -0.000 1.00 0.00 H new ATOM 204 N ARG B 17 17.100 -5.874 -6.339 1.00 0.00 N ATOM 205 CA ARG B 17 17.743 -4.598 -6.638 1.00 0.00 C ATOM 206 C ARG B 17 17.003 -3.439 -5.951 1.00 0.00 C ATOM 207 O ARG B 17 16.996 -2.314 -6.446 1.00 0.00 O ATOM 208 CB ARG B 17 17.896 -4.419 -8.160 1.00 0.00 C ATOM 209 CG ARG B 17 19.038 -3.460 -8.524 1.00 0.00 C ATOM 210 CD ARG B 17 19.154 -3.327 -10.045 1.00 0.00 C ATOM 211 NE ARG B 17 20.240 -2.410 -10.414 1.00 0.00 N ATOM 212 CZ ARG B 17 20.572 -2.083 -11.675 1.00 0.00 C ATOM 213 NH1 ARG B 17 19.903 -2.600 -12.715 1.00 0.00 N ATOM 214 NH2 ARG B 17 21.582 -1.230 -11.893 1.00 0.00 N ATOM 0 H ARG B 17 17.702 -6.502 -5.806 1.00 0.00 H new ATOM 0 HA ARG B 17 18.752 -4.593 -6.225 1.00 0.00 H new ATOM 0 HB2 ARG B 17 18.079 -5.390 -8.621 1.00 0.00 H new ATOM 0 HB3 ARG B 17 16.961 -4.041 -8.575 1.00 0.00 H new ATOM 0 HG2 ARG B 17 18.856 -2.482 -8.079 1.00 0.00 H new ATOM 0 HG3 ARG B 17 19.977 -3.828 -8.111 1.00 0.00 H new ATOM 0 HD2 ARG B 17 19.336 -4.307 -10.486 1.00 0.00 H new ATOM 0 HD3 ARG B 17 18.212 -2.963 -10.454 1.00 0.00 H new ATOM 0 HE ARG B 17 20.782 -1.991 -9.658 1.00 0.00 H new ATOM 0 HH11 ARG B 17 19.133 -3.249 -12.554 1.00 0.00 H new ATOM 0 HH12 ARG B 17 20.164 -2.344 -13.667 1.00 0.00 H new ATOM 0 HH21 ARG B 17 22.094 -0.833 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG B 17 21.839 -0.977 -12.847 1.00 0.00 H new ATOM 228 N ARG B 18 16.380 -3.726 -4.800 1.00 0.00 N ATOM 229 CA ARG B 18 15.677 -2.780 -3.945 1.00 0.00 C ATOM 230 C ARG B 18 15.799 -3.284 -2.505 1.00 0.00 C ATOM 231 O ARG B 18 16.170 -4.439 -2.286 1.00 0.00 O ATOM 232 CB ARG B 18 14.193 -2.681 -4.337 1.00 0.00 C ATOM 233 CG ARG B 18 13.956 -2.268 -5.796 1.00 0.00 C ATOM 234 CD ARG B 18 12.462 -2.168 -6.121 1.00 0.00 C ATOM 235 NE ARG B 18 11.819 -1.077 -5.378 1.00 0.00 N ATOM 236 CZ ARG B 18 10.620 -0.544 -5.657 1.00 0.00 C ATOM 237 NH1 ARG B 18 9.851 -1.037 -6.637 1.00 0.00 N ATOM 238 NH2 ARG B 18 10.193 0.501 -4.941 1.00 0.00 N ATOM 0 H ARG B 18 16.356 -4.675 -4.427 1.00 0.00 H new ATOM 0 HA ARG B 18 16.114 -1.787 -4.052 1.00 0.00 H new ATOM 0 HB2 ARG B 18 13.717 -3.646 -4.162 1.00 0.00 H new ATOM 0 HB3 ARG B 18 13.703 -1.960 -3.682 1.00 0.00 H new ATOM 0 HG2 ARG B 18 14.435 -1.307 -5.985 1.00 0.00 H new ATOM 0 HG3 ARG B 18 14.425 -2.994 -6.460 1.00 0.00 H new ATOM 0 HD2 ARG B 18 12.332 -2.006 -7.191 1.00 0.00 H new ATOM 0 HD3 ARG B 18 11.973 -3.111 -5.879 1.00 0.00 H new ATOM 0 HE ARG B 18 12.327 -0.692 -4.582 1.00 0.00 H new ATOM 0 HH11 ARG B 18 10.174 -1.833 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG B 18 8.942 -0.617 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG B 18 10.776 0.881 -4.196 1.00 0.00 H new ATOM 0 HH22 ARG B 18 9.284 0.918 -5.140 1.00 0.00 H new ATOM 252 N SER B 19 15.463 -2.438 -1.525 1.00 0.00 N ATOM 253 CA SER B 19 15.418 -2.845 -0.127 1.00 0.00 C ATOM 254 C SER B 19 14.248 -3.811 0.069 1.00 0.00 C ATOM 255 O SER B 19 14.449 -4.959 0.460 1.00 0.00 O ATOM 256 CB SER B 19 15.319 -1.609 0.778 1.00 0.00 C ATOM 257 OG SER B 19 15.352 -1.989 2.138 1.00 0.00 O ATOM 0 H SER B 19 15.217 -1.461 -1.682 1.00 0.00 H new ATOM 0 HA SER B 19 16.335 -3.365 0.151 1.00 0.00 H new ATOM 0 HB2 SER B 19 16.142 -0.927 0.564 1.00 0.00 H new ATOM 0 HB3 SER B 19 14.396 -1.069 0.567 1.00 0.00 H new ATOM 0 HG SER B 19 15.290 -1.190 2.702 1.00 0.00 H new ATOM 263 N GLN B 20 13.032 -3.343 -0.233 1.00 0.00 N ATOM 264 CA GLN B 20 11.814 -4.139 -0.286 1.00 0.00 C ATOM 265 C GLN B 20 11.001 -3.592 -1.466 1.00 0.00 C ATOM 266 O GLN B 20 11.582 -3.188 -2.473 1.00 0.00 O ATOM 267 CB GLN B 20 11.059 -4.024 1.053 1.00 0.00 C ATOM 268 CG GLN B 20 11.891 -4.468 2.264 1.00 0.00 C ATOM 269 CD GLN B 20 11.093 -4.414 3.566 1.00 0.00 C ATOM 270 OE1 GLN B 20 9.981 -3.893 3.608 1.00 0.00 O ATOM 271 NE2 GLN B 20 11.665 -4.953 4.644 1.00 0.00 N ATOM 0 H GLN B 20 12.870 -2.361 -0.455 1.00 0.00 H new ATOM 0 HA GLN B 20 12.013 -5.201 -0.433 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.745 -2.990 1.197 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.153 -4.628 1.003 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.250 -5.484 2.102 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.770 -3.829 2.352 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.590 -5.377 4.572 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.178 -4.941 5.540 1.00 0.00 H new ATOM 280 N LEU B 21 9.667 -3.551 -1.348 1.00 0.00 N ATOM 281 CA LEU B 21 8.821 -2.830 -2.290 1.00 0.00 C ATOM 282 C LEU B 21 8.847 -1.322 -1.980 1.00 0.00 C ATOM 283 O LEU B 21 8.410 -0.527 -2.805 1.00 0.00 O ATOM 284 CB LEU B 21 7.411 -3.444 -2.377 1.00 0.00 C ATOM 285 CG LEU B 21 6.769 -3.956 -1.076 1.00 0.00 C ATOM 286 CD1 LEU B 21 6.504 -2.830 -0.071 1.00 0.00 C ATOM 287 CD2 LEU B 21 5.453 -4.656 -1.441 1.00 0.00 C ATOM 0 H LEU B 21 9.153 -4.016 -0.600 1.00 0.00 H new ATOM 0 HA LEU B 21 9.225 -2.939 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU B 21 6.746 -2.695 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU B 21 7.451 -4.276 -3.080 1.00 0.00 H new ATOM 0 HG LEU B 21 7.461 -4.646 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU B 21 6.051 -3.245 0.829 1.00 0.00 H new ATOM 0 HD12 LEU B 21 7.445 -2.344 0.188 1.00 0.00 H new ATOM 0 HD13 LEU B 21 5.828 -2.099 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU B 21 4.976 -5.029 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU B 21 4.789 -3.947 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU B 21 5.658 -5.489 -2.113 1.00 0.00 H new ATOM 299 N ASP B 22 9.403 -0.936 -0.819 1.00 0.00 N ATOM 300 CA ASP B 22 9.748 0.423 -0.414 1.00 0.00 C ATOM 301 C ASP B 22 8.542 1.325 -0.138 1.00 0.00 C ATOM 302 O ASP B 22 7.390 0.949 -0.354 1.00 0.00 O ATOM 303 CB ASP B 22 10.722 1.072 -1.411 1.00 0.00 C ATOM 304 CG ASP B 22 11.891 0.169 -1.810 1.00 0.00 C ATOM 305 OD1 ASP B 22 12.367 -0.597 -0.943 1.00 0.00 O ATOM 306 OD2 ASP B 22 12.294 0.268 -2.989 1.00 0.00 O ATOM 0 H ASP B 22 9.636 -1.616 -0.096 1.00 0.00 H new ATOM 0 HA ASP B 22 10.251 0.320 0.547 1.00 0.00 H new ATOM 0 HB2 ASP B 22 10.172 1.357 -2.308 1.00 0.00 H new ATOM 0 HB3 ASP B 22 11.116 1.989 -0.974 1.00 0.00 H new ATOM 311 N ARG B 23 8.841 2.519 0.388 1.00 0.00 N ATOM 312 CA ARG B 23 7.872 3.506 0.845 1.00 0.00 C ATOM 313 C ARG B 23 7.279 4.292 -0.323 1.00 0.00 C ATOM 314 O ARG B 23 6.159 4.777 -0.243 1.00 0.00 O ATOM 315 CB ARG B 23 8.533 4.474 1.836 1.00 0.00 C ATOM 316 CG ARG B 23 9.405 3.817 2.912 1.00 0.00 C ATOM 317 CD ARG B 23 8.705 2.645 3.601 1.00 0.00 C ATOM 318 NE ARG B 23 9.378 2.259 4.846 1.00 0.00 N ATOM 319 CZ ARG B 23 8.768 1.720 5.918 1.00 0.00 C ATOM 320 NH1 ARG B 23 7.482 1.346 5.878 1.00 0.00 N ATOM 321 NH2 ARG B 23 9.444 1.588 7.066 1.00 0.00 N ATOM 0 H ARG B 23 9.805 2.830 0.509 1.00 0.00 H new ATOM 0 HA ARG B 23 7.062 2.971 1.340 1.00 0.00 H new ATOM 0 HB2 ARG B 23 9.147 5.179 1.275 1.00 0.00 H new ATOM 0 HB3 ARG B 23 7.752 5.053 2.329 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.332 3.466 2.459 1.00 0.00 H new ATOM 0 HG3 ARG B 23 9.678 4.563 3.659 1.00 0.00 H new ATOM 0 HD2 ARG B 23 7.671 2.916 3.816 1.00 0.00 H new ATOM 0 HD3 ARG B 23 8.676 1.791 2.924 1.00 0.00 H new ATOM 0 HE ARG B 23 10.385 2.411 4.904 1.00 0.00 H new ATOM 0 HH11 ARG B 23 6.942 1.467 5.021 1.00 0.00 H new ATOM 0 HH12 ARG B 23 7.043 0.940 6.704 1.00 0.00 H new ATOM 0 HH21 ARG B 23 10.415 1.895 7.124 1.00 0.00 H new ATOM 0 HH22 ARG B 23 8.988 1.180 7.882 1.00 0.00 H new ATOM 335 N ASP B 24 8.044 4.424 -1.405 1.00 0.00 N ATOM 336 CA ASP B 24 7.702 5.136 -2.626 1.00 0.00 C ATOM 337 C ASP B 24 6.330 4.760 -3.208 1.00 0.00 C ATOM 338 O ASP B 24 5.688 5.605 -3.828 1.00 0.00 O ATOM 339 CB ASP B 24 8.801 4.842 -3.654 1.00 0.00 C ATOM 340 CG ASP B 24 10.184 5.250 -3.149 1.00 0.00 C ATOM 341 OD1 ASP B 24 10.735 4.482 -2.329 1.00 0.00 O ATOM 342 OD2 ASP B 24 10.660 6.320 -3.586 1.00 0.00 O ATOM 0 H ASP B 24 8.975 4.010 -1.451 1.00 0.00 H new ATOM 0 HA ASP B 24 7.634 6.197 -2.386 1.00 0.00 H new ATOM 0 HB2 ASP B 24 8.801 3.778 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP B 24 8.582 5.374 -4.580 1.00 0.00 H new ATOM 347 N GLN B 25 5.899 3.501 -3.041 1.00 0.00 N ATOM 348 CA GLN B 25 4.733 2.926 -3.713 1.00 0.00 C ATOM 349 C GLN B 25 3.805 2.189 -2.740 1.00 0.00 C ATOM 350 O GLN B 25 4.209 1.850 -1.627 1.00 0.00 O ATOM 351 CB GLN B 25 5.224 1.991 -4.830 1.00 0.00 C ATOM 352 CG GLN B 25 6.112 0.861 -4.286 1.00 0.00 C ATOM 353 CD GLN B 25 6.722 0.015 -5.400 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.457 0.530 -6.240 1.00 0.00 O ATOM 355 NE2 GLN B 25 6.451 -1.291 -5.401 1.00 0.00 N ATOM 0 H GLN B 25 6.366 2.841 -2.419 1.00 0.00 H new ATOM 0 HA GLN B 25 4.139 3.735 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.366 1.561 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.783 2.568 -5.567 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.910 1.289 -3.680 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.521 0.222 -3.630 1.00 0.00 H new ATOM 0 HE21 GLN B 25 5.837 -1.685 -4.688 1.00 0.00 H new ATOM 0 HE22 GLN B 25 6.858 -1.896 -6.114 1.00 0.00 H new ATOM 364 N CYS B 26 2.563 1.928 -3.183 1.00 0.00 N ATOM 365 CA CYS B 26 1.594 1.125 -2.445 1.00 0.00 C ATOM 366 C CYS B 26 2.141 -0.284 -2.238 1.00 0.00 C ATOM 367 O CYS B 26 2.565 -0.942 -3.182 1.00 0.00 O ATOM 368 CB CYS B 26 0.227 1.091 -3.151 1.00 0.00 C ATOM 369 SG CYS B 26 -0.976 -0.039 -2.406 1.00 0.00 S ATOM 0 H CYS B 26 2.208 2.276 -4.074 1.00 0.00 H new ATOM 0 HA CYS B 26 1.436 1.589 -1.472 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.192 2.097 -3.153 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.377 0.806 -4.192 1.00 0.00 H new ATOM 374 N ALA B 27 2.145 -0.744 -0.989 1.00 0.00 N ATOM 375 CA ALA B 27 2.649 -2.059 -0.628 1.00 0.00 C ATOM 376 C ALA B 27 1.797 -3.194 -1.194 1.00 0.00 C ATOM 377 O ALA B 27 2.312 -4.274 -1.476 1.00 0.00 O ATOM 378 CB ALA B 27 2.713 -2.176 0.891 1.00 0.00 C ATOM 0 H ALA B 27 1.795 -0.207 -0.195 1.00 0.00 H new ATOM 0 HA ALA B 27 3.644 -2.157 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.091 -3.161 1.164 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.379 -1.409 1.287 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.715 -2.041 1.309 1.00 0.00 H new ATOM 384 N TYR B 28 0.490 -2.961 -1.324 1.00 0.00 N ATOM 385 CA TYR B 28 -0.484 -3.976 -1.678 1.00 0.00 C ATOM 386 C TYR B 28 -0.457 -4.261 -3.170 1.00 0.00 C ATOM 387 O TYR B 28 -0.278 -5.403 -3.592 1.00 0.00 O ATOM 388 CB TYR B 28 -1.876 -3.490 -1.272 1.00 0.00 C ATOM 389 CG TYR B 28 -2.933 -4.581 -1.325 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.897 -5.647 -0.408 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.926 -4.561 -2.322 1.00 0.00 C ATOM 392 CE1 TYR B 28 -3.804 -6.714 -0.527 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.828 -5.631 -2.449 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.749 -6.722 -1.566 1.00 0.00 C ATOM 395 OH TYR B 28 -5.583 -7.790 -1.719 1.00 0.00 O ATOM 0 H TYR B 28 0.078 -2.039 -1.181 1.00 0.00 H new ATOM 0 HA TYR B 28 -0.238 -4.899 -1.153 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.831 -3.086 -0.261 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -2.174 -2.673 -1.929 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -2.170 -5.646 0.390 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -3.995 -3.718 -2.994 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -3.774 -7.529 0.181 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -5.581 -5.615 -3.224 1.00 0.00 H new ATOM 0 HH TYR B 28 -6.176 -7.635 -2.484 1.00 0.00 H new ATOM 405 N CYS B 29 -0.660 -3.197 -3.946 1.00 0.00 N ATOM 406 CA CYS B 29 -0.890 -3.230 -5.377 1.00 0.00 C ATOM 407 C CYS B 29 0.119 -2.376 -6.138 1.00 0.00 C ATOM 408 O CYS B 29 0.282 -2.606 -7.335 1.00 0.00 O ATOM 409 CB CYS B 29 -2.318 -2.775 -5.684 1.00 0.00 C ATOM 410 SG CYS B 29 -2.580 -0.985 -5.749 1.00 0.00 S ATOM 0 H CYS B 29 -0.668 -2.249 -3.570 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.758 -4.258 -5.713 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -2.617 -3.202 -6.642 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.982 -3.193 -4.928 1.00 0.00 H new ATOM 415 N LYS B 30 0.791 -1.418 -5.466 1.00 0.00 N ATOM 416 CA LYS B 30 1.803 -0.562 -6.078 1.00 0.00 C ATOM 417 C LYS B 30 1.241 0.050 -7.360 1.00 0.00 C ATOM 418 O LYS B 30 1.688 -0.230 -8.472 1.00 0.00 O ATOM 419 CB LYS B 30 3.181 -1.245 -6.206 1.00 0.00 C ATOM 420 CG LYS B 30 3.261 -2.777 -6.264 1.00 0.00 C ATOM 421 CD LYS B 30 3.028 -3.470 -4.912 1.00 0.00 C ATOM 422 CE LYS B 30 3.076 -4.993 -5.078 1.00 0.00 C ATOM 423 NZ LYS B 30 2.616 -5.690 -3.864 1.00 0.00 N ATOM 0 H LYS B 30 0.638 -1.223 -4.477 1.00 0.00 H new ATOM 0 HA LYS B 30 2.026 0.271 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS B 30 3.655 -0.858 -7.108 1.00 0.00 H new ATOM 0 HB3 LYS B 30 3.788 -0.918 -5.362 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.523 -3.142 -6.979 1.00 0.00 H new ATOM 0 HG3 LYS B 30 4.242 -3.065 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS B 30 3.787 -3.151 -4.197 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.062 -3.172 -4.505 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.454 -5.286 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS B 30 4.095 -5.301 -5.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 3.126 -6.591 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.801 -5.096 -3.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.595 -5.876 -3.936 1.00 0.00 H new ATOM 437 N GLU B 31 0.223 0.889 -7.152 1.00 0.00 N ATOM 438 CA GLU B 31 -0.507 1.624 -8.161 1.00 0.00 C ATOM 439 C GLU B 31 -0.521 3.062 -7.666 1.00 0.00 C ATOM 440 O GLU B 31 -0.420 3.323 -6.465 1.00 0.00 O ATOM 441 CB GLU B 31 -1.888 0.994 -8.376 1.00 0.00 C ATOM 442 CG GLU B 31 -2.566 1.415 -9.685 1.00 0.00 C ATOM 443 CD GLU B 31 -3.440 2.654 -9.532 1.00 0.00 C ATOM 444 OE1 GLU B 31 -4.508 2.516 -8.894 1.00 0.00 O ATOM 445 OE2 GLU B 31 -3.038 3.704 -10.079 1.00 0.00 O ATOM 0 H GLU B 31 -0.127 1.077 -6.213 1.00 0.00 H new ATOM 0 HA GLU B 31 -0.053 1.595 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.787 -0.091 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -2.534 1.264 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -1.802 1.607 -10.438 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -3.176 0.590 -10.053 1.00 0.00 H new ATOM 452 N LYS B 32 -0.581 3.992 -8.610 1.00 0.00 N ATOM 453 CA LYS B 32 -0.342 5.384 -8.352 1.00 0.00 C ATOM 454 C LYS B 32 -1.423 6.035 -7.502 1.00 0.00 C ATOM 455 O LYS B 32 -2.568 5.595 -7.413 1.00 0.00 O ATOM 456 CB LYS B 32 -0.254 6.152 -9.671 1.00 0.00 C ATOM 457 CG LYS B 32 0.840 5.719 -10.664 1.00 0.00 C ATOM 458 CD LYS B 32 0.639 4.340 -11.309 1.00 0.00 C ATOM 459 CE LYS B 32 1.546 4.169 -12.531 1.00 0.00 C ATOM 460 NZ LYS B 32 1.420 2.816 -13.102 1.00 0.00 N ATOM 0 H LYS B 32 -0.801 3.786 -9.585 1.00 0.00 H new ATOM 0 HA LYS B 32 0.596 5.429 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.218 6.072 -10.174 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -0.102 7.206 -9.439 1.00 0.00 H new ATOM 0 HG2 LYS B 32 0.904 6.465 -11.456 1.00 0.00 H new ATOM 0 HG3 LYS B 32 1.799 5.722 -10.145 1.00 0.00 H new ATOM 0 HD2 LYS B 32 0.854 3.559 -10.580 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -0.403 4.222 -11.606 1.00 0.00 H new ATOM 0 HE2 LYS B 32 1.287 4.911 -13.286 1.00 0.00 H new ATOM 0 HE3 LYS B 32 2.582 4.352 -12.247 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 2.045 2.728 -13.928 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 1.690 2.111 -12.387 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 0.435 2.653 -13.394 1.00 0.00 H new ATOM 474 N GLY B 33 -0.985 7.139 -6.909 1.00 0.00 N ATOM 475 CA GLY B 33 -1.796 8.128 -6.224 1.00 0.00 C ATOM 476 C GLY B 33 -1.885 7.878 -4.728 1.00 0.00 C ATOM 477 O GLY B 33 -1.917 8.831 -3.952 1.00 0.00 O ATOM 0 H GLY B 33 0.006 7.379 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -1.377 9.119 -6.398 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -2.800 8.126 -6.649 1.00 0.00 H new ATOM 481 N HIS B 34 -1.951 6.602 -4.336 1.00 0.00 N ATOM 482 CA HIS B 34 -2.257 6.209 -2.965 1.00 0.00 C ATOM 483 C HIS B 34 -1.146 5.332 -2.375 1.00 0.00 C ATOM 484 O HIS B 34 -0.076 5.189 -2.966 1.00 0.00 O ATOM 485 CB HIS B 34 -3.630 5.528 -2.966 1.00 0.00 C ATOM 486 CG HIS B 34 -3.593 4.178 -3.624 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.029 3.911 -4.901 1.00 0.00 N ATOM 488 CD2 HIS B 34 -3.118 2.979 -3.183 1.00 0.00 C ATOM 489 CE1 HIS B 34 -3.814 2.598 -5.095 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.298 1.923 -4.053 1.00 0.00 N ATOM 0 H HIS B 34 -1.793 5.814 -4.964 1.00 0.00 H new ATOM 0 HA HIS B 34 -2.302 7.083 -2.315 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.981 5.421 -1.940 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -4.348 6.163 -3.484 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.432 4.573 -5.564 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.636 2.864 -2.223 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.042 2.114 -6.033 1.00 0.00 H new ATOM 498 N TRP B 35 -1.413 4.746 -1.200 1.00 0.00 N ATOM 499 CA TRP B 35 -0.495 3.886 -0.465 1.00 0.00 C ATOM 500 C TRP B 35 -1.261 2.719 0.156 1.00 0.00 C ATOM 501 O TRP B 35 -2.489 2.734 0.156 1.00 0.00 O ATOM 502 CB TRP B 35 0.167 4.741 0.617 1.00 0.00 C ATOM 503 CG TRP B 35 1.604 4.481 0.909 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.559 4.140 0.016 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.275 4.583 2.191 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.763 3.986 0.664 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.650 4.270 2.004 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.869 4.958 3.485 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.571 4.288 3.055 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.772 4.931 4.555 1.00 0.00 C ATOM 511 CH2 TRP B 35 4.120 4.596 4.343 1.00 0.00 C ATOM 0 H TRP B 35 -2.307 4.866 -0.724 1.00 0.00 H new ATOM 0 HA TRP B 35 0.264 3.468 -1.126 1.00 0.00 H new ATOM 0 HB2 TRP B 35 0.065 5.787 0.329 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.394 4.609 1.542 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.401 4.008 -1.044 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.629 3.698 0.208 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.849 5.270 3.655 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.613 4.068 2.876 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.430 5.170 5.551 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.808 4.576 5.175 1.00 0.00 H new ATOM 522 N ALA B 36 -0.561 1.727 0.723 1.00 0.00 N ATOM 523 CA ALA B 36 -1.225 0.595 1.370 1.00 0.00 C ATOM 524 C ALA B 36 -2.125 1.027 2.536 1.00 0.00 C ATOM 525 O ALA B 36 -3.034 0.288 2.910 1.00 0.00 O ATOM 526 CB ALA B 36 -0.221 -0.479 1.789 1.00 0.00 C ATOM 0 H ALA B 36 0.458 1.688 0.745 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.885 0.151 0.625 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.749 -1.305 2.266 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.307 -0.846 0.909 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.496 -0.053 2.491 1.00 0.00 H new ATOM 532 N LYS B 37 -1.914 2.236 3.074 1.00 0.00 N ATOM 533 CA LYS B 37 -2.801 2.860 4.042 1.00 0.00 C ATOM 534 C LYS B 37 -4.194 3.119 3.454 1.00 0.00 C ATOM 535 O LYS B 37 -5.197 2.947 4.143 1.00 0.00 O ATOM 536 CB LYS B 37 -2.203 4.194 4.495 1.00 0.00 C ATOM 537 CG LYS B 37 -0.859 4.042 5.212 1.00 0.00 C ATOM 538 CD LYS B 37 -0.887 3.282 6.541 1.00 0.00 C ATOM 539 CE LYS B 37 -1.797 3.963 7.560 1.00 0.00 C ATOM 540 NZ LYS B 37 -1.583 3.411 8.912 1.00 0.00 N ATOM 0 H LYS B 37 -1.105 2.811 2.839 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.905 2.176 4.885 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -2.073 4.840 3.626 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -2.908 4.693 5.160 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -0.167 3.533 4.540 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -0.453 5.037 5.394 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -1.231 2.262 6.370 1.00 0.00 H new ATOM 0 HD3 LYS B 37 0.124 3.214 6.943 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -1.603 5.036 7.566 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -2.839 3.829 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -2.436 3.563 9.488 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -1.388 2.392 8.844 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -0.774 3.889 9.358 1.00 0.00 H new ATOM 554 N ASP B 38 -4.229 3.567 2.193 1.00 0.00 N ATOM 555 CA ASP B 38 -5.398 4.091 1.495 1.00 0.00 C ATOM 556 C ASP B 38 -5.750 3.261 0.251 1.00 0.00 C ATOM 557 O ASP B 38 -6.413 3.759 -0.657 1.00 0.00 O ATOM 558 CB ASP B 38 -5.066 5.542 1.106 1.00 0.00 C ATOM 559 CG ASP B 38 -6.259 6.320 0.552 1.00 0.00 C ATOM 560 OD1 ASP B 38 -7.292 6.359 1.255 1.00 0.00 O ATOM 561 OD2 ASP B 38 -6.110 6.870 -0.561 1.00 0.00 O ATOM 0 H ASP B 38 -3.395 3.572 1.605 1.00 0.00 H new ATOM 0 HA ASP B 38 -6.273 4.042 2.143 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -4.679 6.064 1.981 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -4.270 5.536 0.361 1.00 0.00 H new ATOM 566 N CYS B 39 -5.303 2.001 0.172 1.00 0.00 N ATOM 567 CA CYS B 39 -5.461 1.224 -1.048 1.00 0.00 C ATOM 568 C CYS B 39 -6.944 0.915 -1.317 1.00 0.00 C ATOM 569 O CYS B 39 -7.631 0.414 -0.427 1.00 0.00 O ATOM 570 CB CYS B 39 -4.613 -0.049 -0.987 1.00 0.00 C ATOM 571 SG CYS B 39 -4.584 -1.003 -2.532 1.00 0.00 S ATOM 0 H CYS B 39 -4.835 1.509 0.933 1.00 0.00 H new ATOM 0 HA CYS B 39 -5.101 1.819 -1.888 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.591 0.222 -0.722 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.992 -0.686 -0.188 1.00 0.00 H new ATOM 576 N PRO B 40 -7.465 1.217 -2.520 1.00 0.00 N ATOM 577 CA PRO B 40 -8.838 0.927 -2.900 1.00 0.00 C ATOM 578 C PRO B 40 -9.021 -0.547 -3.276 1.00 0.00 C ATOM 579 O PRO B 40 -10.095 -1.102 -3.049 1.00 0.00 O ATOM 580 CB PRO B 40 -9.131 1.854 -4.080 1.00 0.00 C ATOM 581 CG PRO B 40 -7.771 1.989 -4.761 1.00 0.00 C ATOM 582 CD PRO B 40 -6.785 1.916 -3.597 1.00 0.00 C ATOM 0 HA PRO B 40 -9.529 1.098 -2.075 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -9.877 1.429 -4.751 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.514 2.819 -3.749 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.601 1.190 -5.482 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.684 2.931 -5.303 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -5.878 1.387 -3.890 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.484 2.915 -3.281 1.00 0.00 H new ATOM 590 N LYS B 41 -7.981 -1.177 -3.839 1.00 0.00 N ATOM 591 CA LYS B 41 -7.990 -2.592 -4.209 1.00 0.00 C ATOM 592 C LYS B 41 -8.129 -3.468 -2.956 1.00 0.00 C ATOM 593 O LYS B 41 -8.710 -4.550 -3.012 1.00 0.00 O ATOM 594 CB LYS B 41 -6.713 -3.008 -4.966 1.00 0.00 C ATOM 595 CG LYS B 41 -5.966 -1.946 -5.782 1.00 0.00 C ATOM 596 CD LYS B 41 -6.727 -1.339 -6.961 1.00 0.00 C ATOM 597 CE LYS B 41 -5.834 -0.241 -7.561 1.00 0.00 C ATOM 598 NZ LYS B 41 -6.474 0.476 -8.675 1.00 0.00 N ATOM 0 H LYS B 41 -7.100 -0.709 -4.051 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.843 -2.738 -4.872 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -6.014 -3.417 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.979 -3.820 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -5.677 -1.139 -5.109 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -5.046 -2.390 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -6.953 -2.101 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -7.679 -0.923 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -5.571 0.473 -6.780 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -4.903 -0.688 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -5.902 1.307 -8.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -6.548 -0.156 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -7.425 0.784 -8.389 1.00 0.00 H new ATOM 612 N LYS B 42 -7.557 -2.990 -1.843 1.00 0.00 N ATOM 613 CA LYS B 42 -7.473 -3.634 -0.543 1.00 0.00 C ATOM 614 C LYS B 42 -8.833 -4.187 -0.091 1.00 0.00 C ATOM 615 O LYS B 42 -9.851 -3.540 -0.336 1.00 0.00 O ATOM 616 CB LYS B 42 -6.999 -2.580 0.471 1.00 0.00 C ATOM 617 CG LYS B 42 -5.934 -3.070 1.457 1.00 0.00 C ATOM 618 CD LYS B 42 -5.807 -2.074 2.619 1.00 0.00 C ATOM 619 CE LYS B 42 -4.656 -2.408 3.577 1.00 0.00 C ATOM 620 NZ LYS B 42 -4.765 -3.763 4.153 1.00 0.00 N ATOM 0 H LYS B 42 -7.110 -2.073 -1.837 1.00 0.00 H new ATOM 0 HA LYS B 42 -6.780 -4.473 -0.608 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -6.602 -1.724 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -7.861 -2.226 1.036 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -6.203 -4.055 1.838 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -4.975 -3.175 0.949 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -5.657 -1.072 2.216 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -6.743 -2.056 3.178 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -3.709 -2.320 3.044 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -4.637 -1.676 4.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -3.936 -3.953 4.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -5.629 -3.827 4.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -4.806 -4.464 3.386 1.00 0.00 H new ATOM 634 N PRO B 43 -8.859 -5.351 0.583 1.00 0.00 N ATOM 635 CA PRO B 43 -10.023 -5.904 1.272 1.00 0.00 C ATOM 636 C PRO B 43 -10.580 -4.972 2.364 1.00 0.00 C ATOM 637 O PRO B 43 -10.420 -5.227 3.556 1.00 0.00 O ATOM 638 CB PRO B 43 -9.544 -7.243 1.853 1.00 0.00 C ATOM 639 CG PRO B 43 -8.450 -7.675 0.883 1.00 0.00 C ATOM 640 CD PRO B 43 -7.804 -6.346 0.497 1.00 0.00 C ATOM 0 HA PRO B 43 -10.858 -6.029 0.583 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -9.160 -7.127 2.867 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -10.352 -7.973 1.899 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -7.736 -8.352 1.352 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -8.859 -8.194 0.016 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -6.981 -6.102 1.169 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -7.390 -6.391 -0.510 1.00 0.00 H new ATOM 648 N ARG B 44 -11.260 -3.895 1.956 1.00 0.00 N ATOM 649 CA ARG B 44 -11.877 -2.923 2.849 1.00 0.00 C ATOM 650 C ARG B 44 -13.120 -3.532 3.498 1.00 0.00 C ATOM 651 O ARG B 44 -13.252 -3.515 4.720 1.00 0.00 O ATOM 652 CB ARG B 44 -12.228 -1.656 2.058 1.00 0.00 C ATOM 653 CG ARG B 44 -10.963 -0.864 1.699 1.00 0.00 C ATOM 654 CD ARG B 44 -11.254 0.281 0.724 1.00 0.00 C ATOM 655 NE ARG B 44 -11.579 -0.224 -0.620 1.00 0.00 N ATOM 656 CZ ARG B 44 -12.795 -0.310 -1.185 1.00 0.00 C ATOM 657 NH1 ARG B 44 -13.903 0.057 -0.525 1.00 0.00 N ATOM 658 NH2 ARG B 44 -12.893 -0.779 -2.435 1.00 0.00 N ATOM 0 H ARG B 44 -11.397 -3.675 0.970 1.00 0.00 H new ATOM 0 HA ARG B 44 -11.180 -2.653 3.642 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -12.762 -1.928 1.147 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -12.899 -1.030 2.646 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -10.519 -0.460 2.609 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -10.228 -1.537 1.257 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -12.085 0.878 1.100 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -10.388 0.940 0.666 1.00 0.00 H new ATOM 0 HE ARG B 44 -10.793 -0.545 -1.186 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -13.835 0.411 0.429 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -14.814 -0.018 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -12.054 -1.063 -2.940 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -13.807 -0.852 -2.882 1.00 0.00 H new ATOM 672 N GLY B 45 -14.024 -4.074 2.675 1.00 0.00 N ATOM 673 CA GLY B 45 -15.227 -4.743 3.139 1.00 0.00 C ATOM 674 C GLY B 45 -15.860 -5.550 2.006 1.00 0.00 C ATOM 675 O GLY B 45 -16.924 -5.169 1.521 1.00 0.00 O ATOM 0 H GLY B 45 -13.933 -4.056 1.659 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -14.985 -5.403 3.972 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -15.939 -4.007 3.511 1.00 0.00 H new ATOM 679 N PRO B 46 -15.228 -6.657 1.575 1.00 0.00 N ATOM 680 CA PRO B 46 -15.731 -7.515 0.512 1.00 0.00 C ATOM 681 C PRO B 46 -16.854 -8.410 1.051 1.00 0.00 C ATOM 682 O PRO B 46 -16.682 -9.618 1.208 1.00 0.00 O ATOM 683 CB PRO B 46 -14.507 -8.308 0.044 1.00 0.00 C ATOM 684 CG PRO B 46 -13.694 -8.464 1.329 1.00 0.00 C ATOM 685 CD PRO B 46 -13.932 -7.131 2.040 1.00 0.00 C ATOM 0 HA PRO B 46 -16.173 -6.966 -0.320 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -14.787 -9.273 -0.377 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -13.949 -7.774 -0.725 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -14.038 -9.309 1.926 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -12.637 -8.630 1.122 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -13.928 -7.259 3.122 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -13.146 -6.415 1.801 1.00 0.00 H new ATOM 693 N ARG B 47 -18.009 -7.803 1.345 1.00 0.00 N ATOM 694 CA ARG B 47 -19.169 -8.469 1.916 1.00 0.00 C ATOM 695 C ARG B 47 -20.405 -7.606 1.660 1.00 0.00 C ATOM 696 O ARG B 47 -20.306 -6.380 1.630 1.00 0.00 O ATOM 697 CB ARG B 47 -18.939 -8.690 3.420 1.00 0.00 C ATOM 698 CG ARG B 47 -20.065 -9.504 4.074 1.00 0.00 C ATOM 699 CD ARG B 47 -19.765 -9.788 5.550 1.00 0.00 C ATOM 700 NE ARG B 47 -18.591 -10.657 5.707 1.00 0.00 N ATOM 701 CZ ARG B 47 -18.054 -11.019 6.884 1.00 0.00 C ATOM 702 NH1 ARG B 47 -18.588 -10.596 8.039 1.00 0.00 N ATOM 703 NH2 ARG B 47 -16.974 -11.811 6.903 1.00 0.00 N ATOM 0 H ARG B 47 -18.160 -6.807 1.185 1.00 0.00 H new ATOM 0 HA ARG B 47 -19.323 -9.443 1.452 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -17.990 -9.205 3.567 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -18.857 -7.724 3.918 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -21.005 -8.959 3.991 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -20.193 -10.445 3.540 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -19.595 -8.848 6.074 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -20.632 -10.259 6.014 1.00 0.00 H new ATOM 0 HE ARG B 47 -18.150 -11.012 4.858 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -19.411 -9.993 8.030 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -18.172 -10.877 8.927 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -16.564 -12.136 6.027 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -16.561 -12.089 7.793 1.00 0.00 H new ATOM 717 N GLY B 48 -21.564 -8.254 1.490 1.00 0.00 N ATOM 718 CA GLY B 48 -22.861 -7.613 1.334 1.00 0.00 C ATOM 719 C GLY B 48 -23.814 -8.136 2.408 1.00 0.00 C ATOM 720 O GLY B 48 -24.578 -9.060 2.134 1.00 0.00 O ATOM 0 H GLY B 48 -21.619 -9.272 1.457 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -22.758 -6.531 1.419 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -23.264 -7.818 0.342 1.00 0.00 H new ATOM 724 N PRO B 49 -23.779 -7.572 3.627 1.00 0.00 N ATOM 725 CA PRO B 49 -24.639 -7.947 4.731 1.00 0.00 C ATOM 726 C PRO B 49 -25.833 -6.990 4.679 1.00 0.00 C ATOM 727 O PRO B 49 -26.202 -6.528 3.599 1.00 0.00 O ATOM 728 CB PRO B 49 -23.736 -7.697 5.944 1.00 0.00 C ATOM 729 CG PRO B 49 -23.069 -6.371 5.573 1.00 0.00 C ATOM 730 CD PRO B 49 -22.963 -6.441 4.045 1.00 0.00 C ATOM 0 HA PRO B 49 -25.030 -8.964 4.735 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -24.307 -7.622 6.870 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -23.008 -8.496 6.082 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -23.665 -5.517 5.896 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -22.089 -6.270 6.039 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -23.317 -5.517 3.589 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -21.927 -6.574 3.733 1.00 0.00 H new ATOM 738 N ARG B 50 -26.414 -6.655 5.834 1.00 0.00 N ATOM 739 CA ARG B 50 -27.385 -5.580 5.938 1.00 0.00 C ATOM 740 C ARG B 50 -27.232 -4.936 7.324 1.00 0.00 C ATOM 741 O ARG B 50 -26.653 -5.565 8.211 1.00 0.00 O ATOM 742 CB ARG B 50 -28.825 -6.101 5.758 1.00 0.00 C ATOM 743 CG ARG B 50 -29.023 -7.198 4.704 1.00 0.00 C ATOM 744 CD ARG B 50 -30.481 -7.671 4.696 1.00 0.00 C ATOM 745 NE ARG B 50 -30.690 -8.702 3.671 1.00 0.00 N ATOM 746 CZ ARG B 50 -30.494 -10.024 3.819 1.00 0.00 C ATOM 747 NH1 ARG B 50 -30.182 -10.567 5.005 1.00 0.00 N ATOM 748 NH2 ARG B 50 -30.615 -10.823 2.750 1.00 0.00 N ATOM 0 H ARG B 50 -26.220 -7.125 6.718 1.00 0.00 H new ATOM 0 HA ARG B 50 -27.202 -4.851 5.148 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -29.174 -6.482 6.718 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -29.464 -5.257 5.498 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -28.751 -6.819 3.719 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -28.362 -8.039 4.915 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -30.744 -8.068 5.676 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -31.141 -6.825 4.507 1.00 0.00 H new ATOM 0 HE ARG B 50 -31.016 -8.384 2.758 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -30.087 -9.973 5.829 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -30.040 -11.574 5.083 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -30.853 -10.426 1.841 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -30.470 -11.828 2.845 1.00 0.00 H new ATOM 762 N PRO B 51 -27.766 -3.720 7.550 1.00 0.00 N ATOM 763 CA PRO B 51 -27.859 -3.118 8.877 1.00 0.00 C ATOM 764 C PRO B 51 -28.450 -4.098 9.895 1.00 0.00 C ATOM 765 O PRO B 51 -27.892 -4.281 10.974 1.00 0.00 O ATOM 766 CB PRO B 51 -28.723 -1.864 8.705 1.00 0.00 C ATOM 767 CG PRO B 51 -28.458 -1.474 7.252 1.00 0.00 C ATOM 768 CD PRO B 51 -28.349 -2.831 6.559 1.00 0.00 C ATOM 0 HA PRO B 51 -26.877 -2.859 9.272 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -29.778 -2.071 8.883 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -28.432 -1.073 9.397 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -29.268 -0.872 6.840 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -27.543 -0.891 7.149 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -29.327 -3.188 6.237 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -27.723 -2.769 5.669 1.00 0.00 H new ATOM 776 N GLN B 52 -29.556 -4.750 9.513 1.00 0.00 N ATOM 777 CA GLN B 52 -30.147 -5.873 10.221 1.00 0.00 C ATOM 778 C GLN B 52 -30.078 -7.055 9.251 1.00 0.00 C ATOM 779 O GLN B 52 -30.988 -7.255 8.447 1.00 0.00 O ATOM 780 CB GLN B 52 -31.578 -5.520 10.663 1.00 0.00 C ATOM 781 CG GLN B 52 -32.140 -6.471 11.732 1.00 0.00 C ATOM 782 CD GLN B 52 -32.221 -7.921 11.261 1.00 0.00 C ATOM 783 OE1 GLN B 52 -33.179 -8.308 10.596 1.00 0.00 O ATOM 784 NE2 GLN B 52 -31.207 -8.722 11.595 1.00 0.00 N ATOM 0 H GLN B 52 -30.075 -4.495 8.673 1.00 0.00 H new ATOM 0 HA GLN B 52 -29.620 -6.127 11.141 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -31.589 -4.502 11.051 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -32.234 -5.536 9.792 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -31.513 -6.419 12.622 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -33.135 -6.134 12.023 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -30.431 -8.359 12.149 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -31.208 -9.697 11.296 1.00 0.00 H new ATOM 793 N THR B 53 -28.972 -7.807 9.302 1.00 0.00 N ATOM 794 CA THR B 53 -28.726 -8.943 8.424 1.00 0.00 C ATOM 795 C THR B 53 -29.736 -10.054 8.710 1.00 0.00 C ATOM 796 O THR B 53 -30.471 -10.403 7.761 1.00 0.00 O ATOM 797 CB THR B 53 -27.274 -9.418 8.585 1.00 0.00 C ATOM 798 OG1 THR B 53 -26.390 -8.369 8.243 1.00 0.00 O ATOM 799 CG2 THR B 53 -26.965 -10.606 7.668 1.00 0.00 C ATOM 800 OXT THR B 53 -29.756 -10.535 9.865 1.00 0.00 O ATOM 0 H THR B 53 -28.216 -7.636 9.965 1.00 0.00 H new ATOM 0 HA THR B 53 -28.860 -8.645 7.384 1.00 0.00 H new ATOM 0 HB THR B 53 -27.144 -9.721 9.624 1.00 0.00 H new ATOM 0 HG1 THR B 53 -26.849 -7.509 8.342 1.00 0.00 H new ATOM 0 HG21 THR B 53 -25.929 -10.915 7.809 1.00 0.00 H new ATOM 0 HG22 THR B 53 -27.628 -11.436 7.912 1.00 0.00 H new ATOM 0 HG23 THR B 53 -27.118 -10.313 6.629 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.859 -0.017 -3.722 1.00 0.00 ZN