USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=10 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 Set 1.1: B 25 GLN : amide:sc= -1.02 K(o=-0.03,f=1) USER MOD Set 1.2: B 32 LYS NZ :NH3+ -144:sc= 0.994 (180deg=0.309) USER MOD Single : A 1 DA O5' : rot 110:sc= 0.643 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 K(o=0,f=-0.89) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -176:sc= 0.628 (180deg=0.536) USER MOD Single : B 37 LYS NZ :NH3+ -169:sc= -0.0035 (180deg=-0.116) USER MOD Single : B 41 LYS NZ :NH3+ -125:sc= 1.94 (180deg=-0.141) USER MOD Single : B 42 LYS NZ :NH3+ -178:sc= 1.39 (180deg=1.3) USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.946 -7.209 1.777 1.00 0.00 O ATOM 2 C5' DA A 1 2.062 -7.513 2.584 1.00 0.00 C ATOM 3 C4' DA A 1 1.847 -7.120 4.056 1.00 0.00 C ATOM 4 O4' DA A 1 3.123 -7.003 4.668 1.00 0.00 O ATOM 5 C3' DA A 1 1.155 -5.775 4.280 1.00 0.00 C ATOM 6 O3' DA A 1 0.749 -5.677 5.639 1.00 0.00 O ATOM 7 C2' DA A 1 2.351 -4.892 4.004 1.00 0.00 C ATOM 8 C1' DA A 1 3.414 -5.623 4.826 1.00 0.00 C ATOM 9 N9 DA A 1 4.805 -5.338 4.414 1.00 0.00 N ATOM 10 C8 DA A 1 5.309 -5.141 3.155 1.00 0.00 C ATOM 11 N7 DA A 1 6.596 -4.935 3.113 1.00 0.00 N ATOM 12 C5 DA A 1 6.980 -5.003 4.446 1.00 0.00 C ATOM 13 C6 DA A 1 8.225 -4.870 5.096 1.00 0.00 C ATOM 14 N6 DA A 1 9.364 -4.622 4.438 1.00 0.00 N ATOM 15 N1 DA A 1 8.266 -4.997 6.436 1.00 0.00 N ATOM 16 C2 DA A 1 7.134 -5.234 7.097 1.00 0.00 C ATOM 17 N3 DA A 1 5.905 -5.375 6.605 1.00 0.00 N ATOM 18 C4 DA A 1 5.894 -5.247 5.250 1.00 0.00 C ATOM 0 H5' DA A 1 2.939 -6.994 2.197 1.00 0.00 H new ATOM 0 H5'' DA A 1 2.271 -8.581 2.523 1.00 0.00 H new ATOM 0 H4' DA A 1 1.204 -7.896 4.472 1.00 0.00 H new ATOM 0 H3' DA A 1 0.260 -5.563 3.695 1.00 0.00 H new ATOM 0 H2' DA A 1 2.601 -4.848 2.944 1.00 0.00 H new ATOM 0 H2'' DA A 1 2.198 -3.866 4.338 1.00 0.00 H new ATOM 0 HO5' DA A 1 1.171 -6.471 1.172 1.00 0.00 H new ATOM 0 H1' DA A 1 3.368 -5.286 5.862 1.00 0.00 H new ATOM 0 H8 DA A 1 4.691 -5.155 2.270 1.00 0.00 H new ATOM 0 H61 DA A 1 10.241 -4.534 4.952 1.00 0.00 H new ATOM 0 H62 DA A 1 9.355 -4.521 3.423 1.00 0.00 H new ATOM 0 H2 DA A 1 7.225 -5.323 8.169 1.00 0.00 H new ATOM 31 P DC A 2 -0.448 -4.711 6.137 1.00 0.00 P ATOM 32 OP1 DC A 2 -0.519 -4.805 7.612 1.00 0.00 O ATOM 33 OP2 DC A 2 -1.647 -5.041 5.334 1.00 0.00 O ATOM 34 O5' DC A 2 0.015 -3.211 5.737 1.00 0.00 O ATOM 35 C5' DC A 2 0.450 -2.253 6.693 1.00 0.00 C ATOM 36 C4' DC A 2 1.845 -2.558 7.252 1.00 0.00 C ATOM 37 O4' DC A 2 2.775 -2.643 6.188 1.00 0.00 O ATOM 38 C3' DC A 2 2.364 -1.440 8.177 1.00 0.00 C ATOM 39 O3' DC A 2 2.624 -1.952 9.473 1.00 0.00 O ATOM 40 C2' DC A 2 3.673 -1.034 7.498 1.00 0.00 C ATOM 41 C1' DC A 2 4.028 -2.273 6.704 1.00 0.00 C ATOM 42 N1 DC A 2 5.064 -1.983 5.680 1.00 0.00 N ATOM 43 C2 DC A 2 6.402 -1.963 6.080 1.00 0.00 C ATOM 44 O2 DC A 2 6.711 -2.100 7.261 1.00 0.00 O ATOM 45 N3 DC A 2 7.364 -1.801 5.125 1.00 0.00 N ATOM 46 C4 DC A 2 7.040 -1.645 3.834 1.00 0.00 C ATOM 47 N4 DC A 2 8.023 -1.535 2.934 1.00 0.00 N ATOM 48 C5 DC A 2 5.668 -1.582 3.416 1.00 0.00 C ATOM 49 C6 DC A 2 4.724 -1.742 4.375 1.00 0.00 C ATOM 0 H5' DC A 2 -0.265 -2.217 7.515 1.00 0.00 H new ATOM 0 H5'' DC A 2 0.457 -1.265 6.233 1.00 0.00 H new ATOM 0 H4' DC A 2 1.754 -3.491 7.809 1.00 0.00 H new ATOM 0 H3' DC A 2 1.661 -0.618 8.307 1.00 0.00 H new ATOM 0 H2' DC A 2 3.544 -0.163 6.855 1.00 0.00 H new ATOM 0 H2'' DC A 2 4.446 -0.782 8.224 1.00 0.00 H new ATOM 0 H1' DC A 2 4.489 -3.079 7.276 1.00 0.00 H new ATOM 0 H41 DC A 2 7.799 -1.416 1.946 1.00 0.00 H new ATOM 0 H42 DC A 2 8.997 -1.570 3.236 1.00 0.00 H new ATOM 0 H5 DC A 2 5.400 -1.415 2.383 1.00 0.00 H new ATOM 0 H6 DC A 2 3.680 -1.678 4.104 1.00 0.00 H new ATOM 61 P DG A 3 2.717 -0.996 10.778 1.00 0.00 P ATOM 62 OP1 DG A 3 3.244 -1.811 11.895 1.00 0.00 O ATOM 63 OP2 DG A 3 1.417 -0.304 10.930 1.00 0.00 O ATOM 64 O5' DG A 3 3.843 0.099 10.393 1.00 0.00 O ATOM 65 C5' DG A 3 3.522 1.468 10.233 1.00 0.00 C ATOM 66 C4' DG A 3 4.692 2.227 9.589 1.00 0.00 C ATOM 67 O4' DG A 3 4.789 1.801 8.236 1.00 0.00 O ATOM 68 C3' DG A 3 4.387 3.731 9.572 1.00 0.00 C ATOM 69 O3' DG A 3 5.487 4.611 9.819 1.00 0.00 O ATOM 70 C2' DG A 3 3.696 3.910 8.231 1.00 0.00 C ATOM 71 C1' DG A 3 4.365 2.838 7.369 1.00 0.00 C ATOM 72 N9 DG A 3 3.548 2.318 6.243 1.00 0.00 N ATOM 73 C8 DG A 3 2.189 2.144 6.134 1.00 0.00 C ATOM 74 N7 DG A 3 1.794 1.750 4.953 1.00 0.00 N ATOM 75 C5 DG A 3 2.974 1.632 4.226 1.00 0.00 C ATOM 76 C6 DG A 3 3.190 1.291 2.854 1.00 0.00 C ATOM 77 O6 DG A 3 2.358 1.033 1.992 1.00 0.00 O ATOM 78 N1 DG A 3 4.536 1.303 2.504 1.00 0.00 N ATOM 79 C2 DG A 3 5.563 1.557 3.391 1.00 0.00 C ATOM 80 N2 DG A 3 6.808 1.462 2.920 1.00 0.00 N ATOM 81 N3 DG A 3 5.367 1.875 4.679 1.00 0.00 N ATOM 82 C4 DG A 3 4.053 1.924 5.026 1.00 0.00 C ATOM 0 H5' DG A 3 3.286 1.907 11.202 1.00 0.00 H new ATOM 0 H5'' DG A 3 2.631 1.568 9.613 1.00 0.00 H new ATOM 0 H4' DG A 3 5.608 2.036 10.147 1.00 0.00 H new ATOM 0 H3' DG A 3 3.767 4.029 10.417 1.00 0.00 H new ATOM 0 H2' DG A 3 2.619 3.757 8.306 1.00 0.00 H new ATOM 0 H2'' DG A 3 3.849 4.910 7.826 1.00 0.00 H new ATOM 0 H1' DG A 3 5.207 3.305 6.858 1.00 0.00 H new ATOM 0 H8 DG A 3 1.507 2.318 6.953 1.00 0.00 H new ATOM 0 H1 DG A 3 4.779 1.112 1.532 1.00 0.00 H new ATOM 0 H21 DG A 3 7.601 1.640 3.536 1.00 0.00 H new ATOM 0 H22 DG A 3 6.966 1.211 1.944 1.00 0.00 H new ATOM 94 P DC A 4 6.890 4.701 8.992 1.00 0.00 P ATOM 95 OP1 DC A 4 7.185 3.402 8.346 1.00 0.00 O ATOM 96 OP2 DC A 4 7.887 5.271 9.923 1.00 0.00 O ATOM 97 O5' DC A 4 6.654 5.802 7.818 1.00 0.00 O ATOM 98 C5' DC A 4 7.764 6.501 7.265 1.00 0.00 C ATOM 99 C4' DC A 4 7.408 7.487 6.141 1.00 0.00 C ATOM 100 O4' DC A 4 6.605 6.942 5.100 1.00 0.00 O ATOM 101 C3' DC A 4 6.688 8.744 6.644 1.00 0.00 C ATOM 102 O3' DC A 4 7.572 9.853 6.685 1.00 0.00 O ATOM 103 C2' DC A 4 5.623 8.957 5.571 1.00 0.00 C ATOM 104 C1' DC A 4 6.089 8.070 4.416 1.00 0.00 C ATOM 105 N1 DC A 4 5.068 7.809 3.353 1.00 0.00 N ATOM 106 C2 DC A 4 5.546 7.323 2.134 1.00 0.00 C ATOM 107 O2 DC A 4 6.734 7.044 1.989 1.00 0.00 O ATOM 108 N3 DC A 4 4.671 7.159 1.105 1.00 0.00 N ATOM 109 C4 DC A 4 3.366 7.414 1.246 1.00 0.00 C ATOM 110 N4 DC A 4 2.559 7.219 0.198 1.00 0.00 N ATOM 111 C5 DC A 4 2.835 7.868 2.498 1.00 0.00 C ATOM 112 C6 DC A 4 3.717 8.058 3.510 1.00 0.00 C ATOM 0 H5' DC A 4 8.478 5.774 6.879 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.266 7.047 8.063 1.00 0.00 H new ATOM 0 H4' DC A 4 8.390 7.738 5.740 1.00 0.00 H new ATOM 0 H3' DC A 4 6.290 8.642 7.654 1.00 0.00 H new ATOM 0 H2' DC A 4 4.634 8.666 5.925 1.00 0.00 H new ATOM 0 H2'' DC A 4 5.560 10.003 5.272 1.00 0.00 H new ATOM 0 H1' DC A 4 6.839 8.540 3.780 1.00 0.00 H new ATOM 0 H41 DC A 4 1.560 7.407 0.282 1.00 0.00 H new ATOM 0 H42 DC A 4 2.942 6.883 -0.685 1.00 0.00 H new ATOM 0 H5 DC A 4 1.779 8.051 2.629 1.00 0.00 H new ATOM 0 H6 DC A 4 3.355 8.413 4.464 1.00 0.00 H new ATOM 124 P DC A 5 7.356 11.075 7.724 1.00 0.00 P ATOM 125 OP1 DC A 5 8.287 12.164 7.355 1.00 0.00 O ATOM 126 OP2 DC A 5 7.388 10.514 9.093 1.00 0.00 O ATOM 127 O5' DC A 5 5.849 11.576 7.437 1.00 0.00 O ATOM 128 C5' DC A 5 5.539 12.533 6.441 1.00 0.00 C ATOM 129 C4' DC A 5 4.016 12.590 6.265 1.00 0.00 C ATOM 130 O4' DC A 5 3.521 11.313 5.905 1.00 0.00 O ATOM 131 C3' DC A 5 3.274 12.997 7.539 1.00 0.00 C ATOM 132 O3' DC A 5 3.147 14.399 7.649 1.00 0.00 O ATOM 133 C2' DC A 5 1.919 12.331 7.332 1.00 0.00 C ATOM 134 C1' DC A 5 2.222 11.125 6.435 1.00 0.00 C ATOM 135 N1 DC A 5 2.187 9.844 7.199 1.00 0.00 N ATOM 136 C2 DC A 5 1.234 8.871 6.875 1.00 0.00 C ATOM 137 O2 DC A 5 0.429 9.037 5.960 1.00 0.00 O ATOM 138 N3 DC A 5 1.205 7.721 7.608 1.00 0.00 N ATOM 139 C4 DC A 5 2.073 7.507 8.608 1.00 0.00 C ATOM 140 N4 DC A 5 1.981 6.370 9.306 1.00 0.00 N ATOM 141 C5 DC A 5 3.078 8.475 8.938 1.00 0.00 C ATOM 142 C6 DC A 5 3.088 9.618 8.213 1.00 0.00 C ATOM 0 H5' DC A 5 6.018 12.266 5.499 1.00 0.00 H new ATOM 0 H5'' DC A 5 5.923 13.512 6.727 1.00 0.00 H new ATOM 0 H4' DC A 5 3.840 13.339 5.493 1.00 0.00 H new ATOM 0 H3' DC A 5 3.782 12.699 8.456 1.00 0.00 H new ATOM 0 H2' DC A 5 1.479 12.021 8.280 1.00 0.00 H new ATOM 0 H2'' DC A 5 1.210 13.010 6.859 1.00 0.00 H new ATOM 0 HO3' DC A 5 2.666 14.620 8.474 1.00 0.00 H new ATOM 0 H1' DC A 5 1.467 11.059 5.652 1.00 0.00 H new ATOM 0 H41 DC A 5 2.631 6.187 10.071 1.00 0.00 H new ATOM 0 H42 DC A 5 1.261 5.686 9.074 1.00 0.00 H new ATOM 0 H5 DC A 5 3.793 8.300 9.728 1.00 0.00 H new ATOM 0 H6 DC A 5 3.825 10.375 8.437 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 13.288 0.146 -9.624 1.00 0.00 N ATOM 157 CA GLY B 14 14.518 -0.068 -10.405 1.00 0.00 C ATOM 158 C GLY B 14 15.546 1.041 -10.176 1.00 0.00 C ATOM 159 O GLY B 14 15.170 2.163 -9.842 1.00 0.00 O ATOM 0 HA2 GLY B 14 14.956 -1.029 -10.135 1.00 0.00 H new ATOM 0 HA3 GLY B 14 14.270 -0.118 -11.465 1.00 0.00 H new ATOM 165 N GLU B 15 16.831 0.708 -10.365 1.00 0.00 N ATOM 166 CA GLU B 15 17.990 1.588 -10.248 1.00 0.00 C ATOM 167 C GLU B 15 18.173 2.111 -8.817 1.00 0.00 C ATOM 168 O GLU B 15 19.026 1.610 -8.088 1.00 0.00 O ATOM 169 CB GLU B 15 17.951 2.707 -11.306 1.00 0.00 C ATOM 170 CG GLU B 15 19.319 3.398 -11.435 1.00 0.00 C ATOM 171 CD GLU B 15 19.268 4.653 -12.308 1.00 0.00 C ATOM 172 OE1 GLU B 15 18.411 4.691 -13.216 1.00 0.00 O ATOM 173 OE2 GLU B 15 20.089 5.561 -12.047 1.00 0.00 O ATOM 0 H GLU B 15 17.099 -0.243 -10.619 1.00 0.00 H new ATOM 0 HA GLU B 15 18.881 0.997 -10.459 1.00 0.00 H new ATOM 0 HB2 GLU B 15 17.659 2.290 -12.270 1.00 0.00 H new ATOM 0 HB3 GLU B 15 17.193 3.442 -11.034 1.00 0.00 H new ATOM 0 HG2 GLU B 15 19.681 3.666 -10.442 1.00 0.00 H new ATOM 0 HG3 GLU B 15 20.038 2.696 -11.858 1.00 0.00 H new ATOM 180 N ARG B 16 17.385 3.122 -8.429 1.00 0.00 N ATOM 181 CA ARG B 16 17.475 3.816 -7.147 1.00 0.00 C ATOM 182 C ARG B 16 16.260 3.469 -6.280 1.00 0.00 C ATOM 183 O ARG B 16 15.833 4.273 -5.453 1.00 0.00 O ATOM 184 CB ARG B 16 17.576 5.332 -7.395 1.00 0.00 C ATOM 185 CG ARG B 16 18.604 5.641 -8.490 1.00 0.00 C ATOM 186 CD ARG B 16 18.839 7.137 -8.698 1.00 0.00 C ATOM 187 NE ARG B 16 19.594 7.329 -9.941 1.00 0.00 N ATOM 188 CZ ARG B 16 19.917 8.496 -10.514 1.00 0.00 C ATOM 189 NH1 ARG B 16 19.666 9.661 -9.900 1.00 0.00 N ATOM 190 NH2 ARG B 16 20.493 8.473 -11.722 1.00 0.00 N ATOM 0 H ARG B 16 16.642 3.489 -9.024 1.00 0.00 H new ATOM 0 HA ARG B 16 18.368 3.495 -6.611 1.00 0.00 H new ATOM 0 HB2 ARG B 16 16.601 5.723 -7.686 1.00 0.00 H new ATOM 0 HB3 ARG B 16 17.859 5.837 -6.472 1.00 0.00 H new ATOM 0 HG2 ARG B 16 19.550 5.164 -8.234 1.00 0.00 H new ATOM 0 HG3 ARG B 16 18.268 5.200 -9.428 1.00 0.00 H new ATOM 0 HD2 ARG B 16 17.887 7.665 -8.750 1.00 0.00 H new ATOM 0 HD3 ARG B 16 19.389 7.553 -7.854 1.00 0.00 H new ATOM 0 HE ARG B 16 19.906 6.484 -10.420 1.00 0.00 H new ATOM 0 HH11 ARG B 16 19.222 9.668 -8.982 1.00 0.00 H new ATOM 0 HH12 ARG B 16 19.919 10.540 -10.351 1.00 0.00 H new ATOM 0 HH21 ARG B 16 20.676 7.582 -12.183 1.00 0.00 H new ATOM 0 HH22 ARG B 16 20.749 9.347 -12.181 1.00 0.00 H new ATOM 204 N ARG B 17 15.694 2.275 -6.495 1.00 0.00 N ATOM 205 CA ARG B 17 14.461 1.800 -5.890 1.00 0.00 C ATOM 206 C ARG B 17 14.354 0.307 -6.208 1.00 0.00 C ATOM 207 O ARG B 17 14.870 -0.138 -7.234 1.00 0.00 O ATOM 208 CB ARG B 17 13.276 2.592 -6.471 1.00 0.00 C ATOM 209 CG ARG B 17 11.948 2.236 -5.794 1.00 0.00 C ATOM 210 CD ARG B 17 10.790 3.090 -6.322 1.00 0.00 C ATOM 211 NE ARG B 17 10.957 4.514 -5.995 1.00 0.00 N ATOM 212 CZ ARG B 17 10.702 5.071 -4.798 1.00 0.00 C ATOM 213 NH1 ARG B 17 10.280 4.329 -3.766 1.00 0.00 N ATOM 214 NH2 ARG B 17 10.867 6.388 -4.624 1.00 0.00 N ATOM 0 H ARG B 17 16.108 1.589 -7.125 1.00 0.00 H new ATOM 0 HA ARG B 17 14.452 1.945 -4.810 1.00 0.00 H new ATOM 0 HB2 ARG B 17 13.465 3.659 -6.356 1.00 0.00 H new ATOM 0 HB3 ARG B 17 13.200 2.395 -7.540 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.727 1.182 -5.961 1.00 0.00 H new ATOM 0 HG3 ARG B 17 12.041 2.376 -4.717 1.00 0.00 H new ATOM 0 HD2 ARG B 17 10.718 2.973 -7.403 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.852 2.729 -5.899 1.00 0.00 H new ATOM 0 HE ARG B 17 11.293 5.129 -6.736 1.00 0.00 H new ATOM 0 HH11 ARG B 17 10.147 3.324 -3.881 1.00 0.00 H new ATOM 0 HH12 ARG B 17 10.091 4.769 -2.865 1.00 0.00 H new ATOM 0 HH21 ARG B 17 11.186 6.969 -5.399 1.00 0.00 H new ATOM 0 HH22 ARG B 17 10.674 6.811 -3.716 1.00 0.00 H new ATOM 228 N ARG B 18 13.683 -0.468 -5.349 1.00 0.00 N ATOM 229 CA ARG B 18 13.452 -1.891 -5.574 1.00 0.00 C ATOM 230 C ARG B 18 12.502 -2.080 -6.764 1.00 0.00 C ATOM 231 O ARG B 18 11.876 -1.125 -7.225 1.00 0.00 O ATOM 232 CB ARG B 18 12.914 -2.502 -4.271 1.00 0.00 C ATOM 233 CG ARG B 18 12.998 -4.031 -4.186 1.00 0.00 C ATOM 234 CD ARG B 18 12.582 -4.538 -2.797 1.00 0.00 C ATOM 235 NE ARG B 18 13.536 -4.144 -1.747 1.00 0.00 N ATOM 236 CZ ARG B 18 13.443 -3.075 -0.934 1.00 0.00 C ATOM 237 NH1 ARG B 18 12.409 -2.224 -0.999 1.00 0.00 N ATOM 238 NH2 ARG B 18 14.415 -2.850 -0.040 1.00 0.00 N ATOM 0 H ARG B 18 13.285 -0.121 -4.476 1.00 0.00 H new ATOM 0 HA ARG B 18 14.376 -2.409 -5.832 1.00 0.00 H new ATOM 0 HB2 ARG B 18 13.466 -2.076 -3.433 1.00 0.00 H new ATOM 0 HB3 ARG B 18 11.873 -2.204 -4.151 1.00 0.00 H new ATOM 0 HG2 ARG B 18 12.354 -4.475 -4.945 1.00 0.00 H new ATOM 0 HG3 ARG B 18 14.016 -4.354 -4.403 1.00 0.00 H new ATOM 0 HD2 ARG B 18 11.594 -4.148 -2.552 1.00 0.00 H new ATOM 0 HD3 ARG B 18 12.499 -5.625 -2.820 1.00 0.00 H new ATOM 0 HE ARG B 18 14.352 -4.743 -1.623 1.00 0.00 H new ATOM 0 HH11 ARG B 18 11.664 -2.378 -1.678 1.00 0.00 H new ATOM 0 HH12 ARG B 18 12.367 -1.423 -0.369 1.00 0.00 H new ATOM 0 HH21 ARG B 18 15.212 -3.484 0.018 1.00 0.00 H new ATOM 0 HH22 ARG B 18 14.359 -2.044 0.583 1.00 0.00 H new ATOM 252 N SER B 19 12.415 -3.307 -7.290 1.00 0.00 N ATOM 253 CA SER B 19 11.512 -3.640 -8.385 1.00 0.00 C ATOM 254 C SER B 19 10.067 -3.310 -7.998 1.00 0.00 C ATOM 255 O SER B 19 9.362 -2.638 -8.749 1.00 0.00 O ATOM 256 CB SER B 19 11.672 -5.120 -8.753 1.00 0.00 C ATOM 257 OG SER B 19 10.894 -5.431 -9.890 1.00 0.00 O ATOM 0 H SER B 19 12.973 -4.096 -6.963 1.00 0.00 H new ATOM 0 HA SER B 19 11.764 -3.042 -9.261 1.00 0.00 H new ATOM 0 HB2 SER B 19 12.721 -5.341 -8.951 1.00 0.00 H new ATOM 0 HB3 SER B 19 11.367 -5.745 -7.914 1.00 0.00 H new ATOM 0 HG SER B 19 11.007 -6.378 -10.114 1.00 0.00 H new ATOM 263 N GLN B 20 9.646 -3.777 -6.817 1.00 0.00 N ATOM 264 CA GLN B 20 8.364 -3.464 -6.203 1.00 0.00 C ATOM 265 C GLN B 20 8.568 -3.334 -4.693 1.00 0.00 C ATOM 266 O GLN B 20 9.602 -3.743 -4.169 1.00 0.00 O ATOM 267 CB GLN B 20 7.345 -4.575 -6.495 1.00 0.00 C ATOM 268 CG GLN B 20 7.043 -4.737 -7.990 1.00 0.00 C ATOM 269 CD GLN B 20 5.951 -5.772 -8.255 1.00 0.00 C ATOM 270 OE1 GLN B 20 5.534 -6.500 -7.356 1.00 0.00 O ATOM 271 NE2 GLN B 20 5.479 -5.840 -9.500 1.00 0.00 N ATOM 0 H GLN B 20 10.214 -4.405 -6.248 1.00 0.00 H new ATOM 0 HA GLN B 20 7.980 -2.530 -6.614 1.00 0.00 H new ATOM 0 HB2 GLN B 20 7.723 -5.519 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN B 20 6.418 -4.358 -5.965 1.00 0.00 H new ATOM 0 HG2 GLN B 20 6.736 -3.776 -8.402 1.00 0.00 H new ATOM 0 HG3 GLN B 20 7.953 -5.032 -8.512 1.00 0.00 H new ATOM 0 HE21 GLN B 20 5.849 -5.220 -10.220 1.00 0.00 H new ATOM 0 HE22 GLN B 20 4.748 -6.512 -9.732 1.00 0.00 H new ATOM 280 N LEU B 21 7.550 -2.805 -4.005 1.00 0.00 N ATOM 281 CA LEU B 21 7.467 -2.698 -2.559 1.00 0.00 C ATOM 282 C LEU B 21 8.604 -1.850 -1.974 1.00 0.00 C ATOM 283 O LEU B 21 9.683 -2.360 -1.678 1.00 0.00 O ATOM 284 CB LEU B 21 7.355 -4.103 -1.935 1.00 0.00 C ATOM 285 CG LEU B 21 6.163 -4.169 -0.976 1.00 0.00 C ATOM 286 CD1 LEU B 21 5.942 -5.605 -0.485 1.00 0.00 C ATOM 287 CD2 LEU B 21 6.363 -3.234 0.222 1.00 0.00 C ATOM 0 H LEU B 21 6.727 -2.424 -4.471 1.00 0.00 H new ATOM 0 HA LEU B 21 6.558 -2.156 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.239 -4.849 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.274 -4.344 -1.400 1.00 0.00 H new ATOM 0 HG LEU B 21 5.280 -3.842 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU B 21 5.091 -5.630 0.195 1.00 0.00 H new ATOM 0 HD12 LEU B 21 5.745 -6.255 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU B 21 6.834 -5.952 0.037 1.00 0.00 H new ATOM 0 HD21 LEU B 21 5.501 -3.303 0.885 1.00 0.00 H new ATOM 0 HD22 LEU B 21 7.262 -3.525 0.765 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.469 -2.208 -0.131 1.00 0.00 H new ATOM 299 N ASP B 22 8.345 -0.548 -1.800 1.00 0.00 N ATOM 300 CA ASP B 22 9.291 0.428 -1.272 1.00 0.00 C ATOM 301 C ASP B 22 8.571 1.378 -0.313 1.00 0.00 C ATOM 302 O ASP B 22 7.404 1.176 0.022 1.00 0.00 O ATOM 303 CB ASP B 22 9.948 1.202 -2.427 1.00 0.00 C ATOM 304 CG ASP B 22 10.747 0.294 -3.352 1.00 0.00 C ATOM 305 OD1 ASP B 22 10.134 -0.243 -4.299 1.00 0.00 O ATOM 306 OD2 ASP B 22 11.967 0.174 -3.105 1.00 0.00 O ATOM 0 H ASP B 22 7.441 -0.137 -2.032 1.00 0.00 H new ATOM 0 HA ASP B 22 10.076 -0.088 -0.720 1.00 0.00 H new ATOM 0 HB2 ASP B 22 9.177 1.715 -3.002 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.605 1.970 -2.019 1.00 0.00 H new ATOM 311 N ARG B 23 9.294 2.413 0.129 1.00 0.00 N ATOM 312 CA ARG B 23 8.844 3.429 1.064 1.00 0.00 C ATOM 313 C ARG B 23 7.583 4.135 0.549 1.00 0.00 C ATOM 314 O ARG B 23 6.504 3.949 1.101 1.00 0.00 O ATOM 315 CB ARG B 23 10.025 4.375 1.335 1.00 0.00 C ATOM 316 CG ARG B 23 9.718 5.548 2.272 1.00 0.00 C ATOM 317 CD ARG B 23 8.906 5.159 3.512 1.00 0.00 C ATOM 318 NE ARG B 23 9.491 4.027 4.244 1.00 0.00 N ATOM 319 CZ ARG B 23 8.875 3.382 5.249 1.00 0.00 C ATOM 320 NH1 ARG B 23 7.637 3.723 5.623 1.00 0.00 N ATOM 321 NH2 ARG B 23 9.503 2.394 5.899 1.00 0.00 N ATOM 0 H ARG B 23 10.255 2.565 -0.176 1.00 0.00 H new ATOM 0 HA ARG B 23 8.541 2.985 2.012 1.00 0.00 H new ATOM 0 HB2 ARG B 23 10.844 3.795 1.761 1.00 0.00 H new ATOM 0 HB3 ARG B 23 10.377 4.773 0.383 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.657 5.999 2.592 1.00 0.00 H new ATOM 0 HG3 ARG B 23 9.171 6.310 1.717 1.00 0.00 H new ATOM 0 HD2 ARG B 23 8.835 6.019 4.178 1.00 0.00 H new ATOM 0 HD3 ARG B 23 7.890 4.904 3.210 1.00 0.00 H new ATOM 0 HE ARG B 23 10.422 3.711 3.972 1.00 0.00 H new ATOM 0 HH11 ARG B 23 7.150 4.480 5.144 1.00 0.00 H new ATOM 0 HH12 ARG B 23 7.180 3.226 6.387 1.00 0.00 H new ATOM 0 HH21 ARG B 23 10.451 2.130 5.632 1.00 0.00 H new ATOM 0 HH22 ARG B 23 9.033 1.906 6.662 1.00 0.00 H new ATOM 335 N ASP B 24 7.740 4.927 -0.513 1.00 0.00 N ATOM 336 CA ASP B 24 6.741 5.731 -1.203 1.00 0.00 C ATOM 337 C ASP B 24 5.443 4.991 -1.540 1.00 0.00 C ATOM 338 O ASP B 24 4.354 5.541 -1.390 1.00 0.00 O ATOM 339 CB ASP B 24 7.368 6.217 -2.516 1.00 0.00 C ATOM 340 CG ASP B 24 8.637 7.035 -2.298 1.00 0.00 C ATOM 341 OD1 ASP B 24 9.673 6.400 -1.996 1.00 0.00 O ATOM 342 OD2 ASP B 24 8.563 8.271 -2.461 1.00 0.00 O ATOM 0 H ASP B 24 8.657 5.028 -0.949 1.00 0.00 H new ATOM 0 HA ASP B 24 6.463 6.539 -0.526 1.00 0.00 H new ATOM 0 HB2 ASP B 24 7.599 5.356 -3.143 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.641 6.821 -3.059 1.00 0.00 H new ATOM 347 N GLN B 25 5.569 3.765 -2.058 1.00 0.00 N ATOM 348 CA GLN B 25 4.465 3.023 -2.662 1.00 0.00 C ATOM 349 C GLN B 25 3.759 2.039 -1.724 1.00 0.00 C ATOM 350 O GLN B 25 4.240 1.731 -0.632 1.00 0.00 O ATOM 351 CB GLN B 25 4.965 2.326 -3.934 1.00 0.00 C ATOM 352 CG GLN B 25 6.103 1.342 -3.643 1.00 0.00 C ATOM 353 CD GLN B 25 6.440 0.513 -4.874 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.371 0.825 -5.612 1.00 0.00 O ATOM 355 NE2 GLN B 25 5.665 -0.545 -5.107 1.00 0.00 N ATOM 0 H GLN B 25 6.453 3.256 -2.068 1.00 0.00 H new ATOM 0 HA GLN B 25 3.694 3.754 -2.906 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.138 1.794 -4.404 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.308 3.076 -4.647 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.987 1.890 -3.317 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.817 0.682 -2.824 1.00 0.00 H new ATOM 0 HE21 GLN B 25 4.902 -0.769 -4.468 1.00 0.00 H new ATOM 0 HE22 GLN B 25 5.835 -1.131 -5.924 1.00 0.00 H new ATOM 364 N CYS B 26 2.606 1.549 -2.201 1.00 0.00 N ATOM 365 CA CYS B 26 1.750 0.561 -1.561 1.00 0.00 C ATOM 366 C CYS B 26 2.488 -0.758 -1.341 1.00 0.00 C ATOM 367 O CYS B 26 3.443 -1.082 -2.047 1.00 0.00 O ATOM 368 CB CYS B 26 0.477 0.368 -2.402 1.00 0.00 C ATOM 369 SG CYS B 26 -0.729 -0.814 -1.746 1.00 0.00 S ATOM 0 H CYS B 26 2.231 1.855 -3.099 1.00 0.00 H new ATOM 0 HA CYS B 26 1.465 0.925 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.013 1.335 -2.512 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.770 0.043 -3.401 1.00 0.00 H new ATOM 374 N ALA B 27 2.039 -1.499 -0.324 1.00 0.00 N ATOM 375 CA ALA B 27 2.681 -2.707 0.171 1.00 0.00 C ATOM 376 C ALA B 27 1.910 -3.985 -0.156 1.00 0.00 C ATOM 377 O ALA B 27 2.244 -5.047 0.365 1.00 0.00 O ATOM 378 CB ALA B 27 2.799 -2.575 1.686 1.00 0.00 C ATOM 0 H ALA B 27 1.191 -1.262 0.190 1.00 0.00 H new ATOM 0 HA ALA B 27 3.650 -2.797 -0.319 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.277 -3.466 2.093 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.399 -1.698 1.929 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.805 -2.467 2.120 1.00 0.00 H new ATOM 384 N TYR B 28 0.866 -3.888 -0.983 1.00 0.00 N ATOM 385 CA TYR B 28 -0.093 -4.950 -1.218 1.00 0.00 C ATOM 386 C TYR B 28 -0.207 -5.168 -2.714 1.00 0.00 C ATOM 387 O TYR B 28 -0.022 -6.276 -3.214 1.00 0.00 O ATOM 388 CB TYR B 28 -1.430 -4.499 -0.622 1.00 0.00 C ATOM 389 CG TYR B 28 -2.523 -5.550 -0.619 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.459 -6.631 0.279 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.612 -5.444 -1.504 1.00 0.00 C ATOM 392 CE1 TYR B 28 -3.508 -7.564 0.337 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.650 -6.390 -1.463 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.608 -7.440 -0.530 1.00 0.00 C ATOM 395 OH TYR B 28 -5.638 -8.332 -0.465 1.00 0.00 O ATOM 0 H TYR B 28 0.666 -3.043 -1.518 1.00 0.00 H new ATOM 0 HA TYR B 28 0.212 -5.889 -0.755 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.260 -4.171 0.404 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -1.784 -3.632 -1.179 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -1.601 -6.744 0.926 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -3.650 -4.633 -2.217 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -3.469 -8.376 1.048 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -5.480 -6.310 -2.149 1.00 0.00 H new ATOM 0 HH TYR B 28 -6.315 -8.099 -1.134 1.00 0.00 H new ATOM 405 N CYS B 29 -0.495 -4.068 -3.406 1.00 0.00 N ATOM 406 CA CYS B 29 -0.770 -3.998 -4.818 1.00 0.00 C ATOM 407 C CYS B 29 0.300 -3.195 -5.558 1.00 0.00 C ATOM 408 O CYS B 29 0.379 -3.272 -6.782 1.00 0.00 O ATOM 409 CB CYS B 29 -2.160 -3.407 -4.990 1.00 0.00 C ATOM 410 SG CYS B 29 -2.298 -1.611 -5.076 1.00 0.00 S ATOM 0 H CYS B 29 -0.543 -3.153 -2.958 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.743 -4.994 -5.259 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -2.591 -3.821 -5.902 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.777 -3.752 -4.160 1.00 0.00 H new ATOM 415 N LYS B 30 1.141 -2.460 -4.812 1.00 0.00 N ATOM 416 CA LYS B 30 2.351 -1.815 -5.308 1.00 0.00 C ATOM 417 C LYS B 30 2.086 -0.513 -6.078 1.00 0.00 C ATOM 418 O LYS B 30 2.993 0.008 -6.727 1.00 0.00 O ATOM 419 CB LYS B 30 3.220 -2.803 -6.112 1.00 0.00 C ATOM 420 CG LYS B 30 3.302 -4.229 -5.542 1.00 0.00 C ATOM 421 CD LYS B 30 3.621 -4.295 -4.042 1.00 0.00 C ATOM 422 CE LYS B 30 3.880 -5.736 -3.580 1.00 0.00 C ATOM 423 NZ LYS B 30 2.780 -6.658 -3.921 1.00 0.00 N ATOM 0 H LYS B 30 0.986 -2.298 -3.817 1.00 0.00 H new ATOM 0 HA LYS B 30 2.917 -1.512 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS B 30 2.830 -2.859 -7.128 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.230 -2.399 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.353 -4.734 -5.722 1.00 0.00 H new ATOM 0 HG3 LYS B 30 4.066 -4.782 -6.088 1.00 0.00 H new ATOM 0 HD2 LYS B 30 4.496 -3.681 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.791 -3.874 -3.474 1.00 0.00 H new ATOM 0 HE2 LYS B 30 4.803 -6.097 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS B 30 4.032 -5.744 -2.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.980 -7.599 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 1.889 -6.298 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.694 -6.728 -4.955 1.00 0.00 H new ATOM 437 N GLU B 31 0.866 0.028 -5.982 1.00 0.00 N ATOM 438 CA GLU B 31 0.473 1.301 -6.567 1.00 0.00 C ATOM 439 C GLU B 31 1.079 2.470 -5.782 1.00 0.00 C ATOM 440 O GLU B 31 1.208 2.415 -4.563 1.00 0.00 O ATOM 441 CB GLU B 31 -1.051 1.378 -6.591 1.00 0.00 C ATOM 442 CG GLU B 31 -1.507 2.378 -7.649 1.00 0.00 C ATOM 443 CD GLU B 31 -2.996 2.668 -7.509 1.00 0.00 C ATOM 444 OE1 GLU B 31 -3.785 1.756 -7.844 1.00 0.00 O ATOM 445 OE2 GLU B 31 -3.318 3.779 -7.036 1.00 0.00 O ATOM 0 H GLU B 31 0.106 -0.428 -5.478 1.00 0.00 H new ATOM 0 HA GLU B 31 0.851 1.371 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.470 0.394 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.424 1.677 -5.611 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -0.940 3.304 -7.550 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -1.300 1.983 -8.643 1.00 0.00 H new ATOM 452 N LYS B 32 1.464 3.528 -6.499 1.00 0.00 N ATOM 453 CA LYS B 32 2.165 4.688 -5.965 1.00 0.00 C ATOM 454 C LYS B 32 1.171 5.703 -5.409 1.00 0.00 C ATOM 455 O LYS B 32 1.431 6.333 -4.386 1.00 0.00 O ATOM 456 CB LYS B 32 2.979 5.329 -7.093 1.00 0.00 C ATOM 457 CG LYS B 32 4.289 4.586 -7.386 1.00 0.00 C ATOM 458 CD LYS B 32 4.107 3.096 -7.705 1.00 0.00 C ATOM 459 CE LYS B 32 5.442 2.435 -8.050 1.00 0.00 C ATOM 460 NZ LYS B 32 5.276 0.980 -8.201 1.00 0.00 N ATOM 0 H LYS B 32 1.288 3.599 -7.501 1.00 0.00 H new ATOM 0 HA LYS B 32 2.824 4.373 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS B 32 2.374 5.357 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS B 32 3.205 6.362 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS B 32 4.787 5.068 -8.227 1.00 0.00 H new ATOM 0 HG3 LYS B 32 4.950 4.684 -6.525 1.00 0.00 H new ATOM 0 HD2 LYS B 32 3.659 2.591 -6.849 1.00 0.00 H new ATOM 0 HD3 LYS B 32 3.416 2.982 -8.540 1.00 0.00 H new ATOM 0 HE2 LYS B 32 5.836 2.859 -8.973 1.00 0.00 H new ATOM 0 HE3 LYS B 32 6.171 2.644 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 6.120 0.495 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 4.440 0.669 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 5.151 0.747 -9.207 1.00 0.00 H new ATOM 474 N GLY B 33 0.043 5.862 -6.110 1.00 0.00 N ATOM 475 CA GLY B 33 -1.011 6.819 -5.808 1.00 0.00 C ATOM 476 C GLY B 33 -1.567 6.723 -4.385 1.00 0.00 C ATOM 477 O GLY B 33 -2.176 7.682 -3.915 1.00 0.00 O ATOM 0 H GLY B 33 -0.163 5.301 -6.937 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -0.626 7.826 -5.967 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -1.828 6.675 -6.514 1.00 0.00 H new ATOM 481 N HIS B 34 -1.371 5.589 -3.698 1.00 0.00 N ATOM 482 CA HIS B 34 -1.830 5.396 -2.329 1.00 0.00 C ATOM 483 C HIS B 34 -0.833 4.496 -1.587 1.00 0.00 C ATOM 484 O HIS B 34 0.275 4.263 -2.070 1.00 0.00 O ATOM 485 CB HIS B 34 -3.268 4.855 -2.360 1.00 0.00 C ATOM 486 CG HIS B 34 -3.356 3.473 -2.943 1.00 0.00 C ATOM 487 ND1 HIS B 34 -3.939 3.163 -4.149 1.00 0.00 N ATOM 488 CD2 HIS B 34 -2.899 2.275 -2.482 1.00 0.00 C ATOM 489 CE1 HIS B 34 -3.787 1.836 -4.299 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.148 1.196 -3.306 1.00 0.00 N ATOM 0 H HIS B 34 -0.886 4.779 -4.085 1.00 0.00 H new ATOM 0 HA HIS B 34 -1.864 6.334 -1.775 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.669 4.843 -1.347 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -3.894 5.531 -2.943 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.393 3.807 -4.796 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.380 2.177 -1.540 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.158 1.314 -5.169 1.00 0.00 H new ATOM 498 N TRP B 35 -1.227 3.999 -0.408 1.00 0.00 N ATOM 499 CA TRP B 35 -0.387 3.208 0.478 1.00 0.00 C ATOM 500 C TRP B 35 -1.125 1.973 1.002 1.00 0.00 C ATOM 501 O TRP B 35 -2.309 1.800 0.743 1.00 0.00 O ATOM 502 CB TRP B 35 0.078 4.126 1.609 1.00 0.00 C ATOM 503 CG TRP B 35 1.545 4.261 1.823 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.530 4.065 0.920 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.204 4.643 3.055 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.752 4.212 1.535 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.609 4.568 2.858 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.746 5.053 4.320 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.519 4.849 3.884 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.645 5.346 5.353 1.00 0.00 C ATOM 511 CH2 TRP B 35 4.031 5.256 5.134 1.00 0.00 C ATOM 0 H TRP B 35 -2.167 4.144 -0.040 1.00 0.00 H new ATOM 0 HA TRP B 35 0.477 2.822 -0.063 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -0.328 5.120 1.424 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.366 3.768 2.538 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.381 3.829 -0.123 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.650 4.075 1.070 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.685 5.143 4.497 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.581 4.754 3.715 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.272 5.642 6.322 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.720 5.500 5.929 1.00 0.00 H new ATOM 522 N ALA B 36 -0.435 1.118 1.765 1.00 0.00 N ATOM 523 CA ALA B 36 -1.033 -0.048 2.412 1.00 0.00 C ATOM 524 C ALA B 36 -2.059 0.464 3.412 1.00 0.00 C ATOM 525 O ALA B 36 -3.151 -0.082 3.554 1.00 0.00 O ATOM 526 CB ALA B 36 0.055 -0.874 3.102 1.00 0.00 C ATOM 0 H ALA B 36 0.563 1.220 1.950 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.520 -0.698 1.685 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.397 -1.742 3.583 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.783 -1.207 2.362 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.555 -0.262 3.853 1.00 0.00 H new ATOM 532 N LYS B 37 -1.679 1.581 4.038 1.00 0.00 N ATOM 533 CA LYS B 37 -2.480 2.440 4.869 1.00 0.00 C ATOM 534 C LYS B 37 -3.845 2.752 4.238 1.00 0.00 C ATOM 535 O LYS B 37 -4.829 2.907 4.960 1.00 0.00 O ATOM 536 CB LYS B 37 -1.656 3.717 5.067 1.00 0.00 C ATOM 537 CG LYS B 37 -2.304 4.625 6.091 1.00 0.00 C ATOM 538 CD LYS B 37 -1.443 5.861 6.375 1.00 0.00 C ATOM 539 CE LYS B 37 -2.162 6.841 7.307 1.00 0.00 C ATOM 540 NZ LYS B 37 -3.316 7.481 6.649 1.00 0.00 N ATOM 0 H LYS B 37 -0.721 1.923 3.961 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.707 1.955 5.818 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.648 3.458 5.391 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -1.560 4.243 4.117 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -3.284 4.939 5.732 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.466 4.073 7.017 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -0.500 5.553 6.826 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -1.200 6.360 5.437 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -2.500 6.312 8.198 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -1.461 7.608 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -3.660 8.266 7.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.027 7.847 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.076 6.782 6.524 1.00 0.00 H new ATOM 554 N ASP B 38 -3.889 2.869 2.903 1.00 0.00 N ATOM 555 CA ASP B 38 -5.020 3.380 2.148 1.00 0.00 C ATOM 556 C ASP B 38 -5.353 2.532 0.908 1.00 0.00 C ATOM 557 O ASP B 38 -5.908 3.061 -0.054 1.00 0.00 O ATOM 558 CB ASP B 38 -4.625 4.805 1.730 1.00 0.00 C ATOM 559 CG ASP B 38 -5.780 5.623 1.156 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.921 5.422 1.630 1.00 0.00 O ATOM 561 OD2 ASP B 38 -5.500 6.436 0.249 1.00 0.00 O ATOM 0 H ASP B 38 -3.106 2.598 2.308 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.921 3.353 2.762 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -4.217 5.327 2.595 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -3.829 4.748 0.988 1.00 0.00 H new ATOM 566 N CYS B 39 -5.028 1.232 0.885 1.00 0.00 N ATOM 567 CA CYS B 39 -5.239 0.428 -0.313 1.00 0.00 C ATOM 568 C CYS B 39 -6.716 0.023 -0.412 1.00 0.00 C ATOM 569 O CYS B 39 -7.246 -0.558 0.534 1.00 0.00 O ATOM 570 CB CYS B 39 -4.314 -0.790 -0.316 1.00 0.00 C ATOM 571 SG CYS B 39 -4.318 -1.759 -1.858 1.00 0.00 S ATOM 0 H CYS B 39 -4.624 0.726 1.673 1.00 0.00 H new ATOM 0 HA CYS B 39 -4.991 1.021 -1.193 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.296 -0.454 -0.119 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.599 -1.445 0.507 1.00 0.00 H new ATOM 576 N PRO B 40 -7.404 0.332 -1.525 1.00 0.00 N ATOM 577 CA PRO B 40 -8.805 -0.010 -1.727 1.00 0.00 C ATOM 578 C PRO B 40 -8.994 -1.491 -2.078 1.00 0.00 C ATOM 579 O PRO B 40 -10.075 -2.035 -1.863 1.00 0.00 O ATOM 580 CB PRO B 40 -9.267 0.892 -2.873 1.00 0.00 C ATOM 581 CG PRO B 40 -8.003 1.047 -3.719 1.00 0.00 C ATOM 582 CD PRO B 40 -6.893 1.066 -2.672 1.00 0.00 C ATOM 0 HA PRO B 40 -9.387 0.143 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -10.080 0.439 -3.441 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.630 1.853 -2.509 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.883 0.222 -4.421 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -8.020 1.965 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -5.986 0.602 -3.058 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.635 2.089 -2.396 1.00 0.00 H new ATOM 590 N LYS B 41 -7.957 -2.136 -2.628 1.00 0.00 N ATOM 591 CA LYS B 41 -7.977 -3.537 -3.030 1.00 0.00 C ATOM 592 C LYS B 41 -7.913 -4.407 -1.780 1.00 0.00 C ATOM 593 O LYS B 41 -8.647 -5.385 -1.652 1.00 0.00 O ATOM 594 CB LYS B 41 -6.795 -3.802 -3.969 1.00 0.00 C ATOM 595 CG LYS B 41 -6.950 -3.004 -5.272 1.00 0.00 C ATOM 596 CD LYS B 41 -5.603 -2.445 -5.741 1.00 0.00 C ATOM 597 CE LYS B 41 -5.755 -1.620 -7.024 1.00 0.00 C ATOM 598 NZ LYS B 41 -4.477 -1.002 -7.424 1.00 0.00 N ATOM 0 H LYS B 41 -7.062 -1.681 -2.808 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.895 -3.778 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.863 -3.526 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.734 -4.867 -4.194 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -7.371 -3.645 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -7.653 -2.185 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -5.172 -1.823 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -4.908 -3.266 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -6.118 -2.260 -7.828 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -6.504 -0.843 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.605 0.025 -7.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -3.757 -1.191 -6.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -4.166 -1.403 -8.332 1.00 0.00 H new ATOM 612 N LYS B 42 -7.044 -4.009 -0.847 1.00 0.00 N ATOM 613 CA LYS B 42 -6.981 -4.550 0.498 1.00 0.00 C ATOM 614 C LYS B 42 -8.352 -4.346 1.160 1.00 0.00 C ATOM 615 O LYS B 42 -8.982 -3.314 0.924 1.00 0.00 O ATOM 616 CB LYS B 42 -5.875 -3.817 1.265 1.00 0.00 C ATOM 617 CG LYS B 42 -5.633 -4.364 2.674 1.00 0.00 C ATOM 618 CD LYS B 42 -4.709 -3.457 3.502 1.00 0.00 C ATOM 619 CE LYS B 42 -3.297 -3.304 2.925 1.00 0.00 C ATOM 620 NZ LYS B 42 -2.600 -4.595 2.832 1.00 0.00 N ATOM 0 H LYS B 42 -6.350 -3.282 -1.019 1.00 0.00 H new ATOM 0 HA LYS B 42 -6.749 -5.615 0.493 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -4.947 -3.881 0.696 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.133 -2.760 1.335 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -6.588 -4.472 3.188 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -5.194 -5.359 2.604 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -5.165 -2.470 3.584 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -4.635 -3.858 4.513 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -3.356 -2.851 1.935 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -2.720 -2.624 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -1.637 -4.444 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -2.550 -5.031 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -3.119 -5.224 2.186 1.00 0.00 H new ATOM 634 N PRO B 43 -8.836 -5.304 1.968 1.00 0.00 N ATOM 635 CA PRO B 43 -10.166 -5.251 2.553 1.00 0.00 C ATOM 636 C PRO B 43 -10.199 -4.216 3.682 1.00 0.00 C ATOM 637 O PRO B 43 -10.022 -4.546 4.854 1.00 0.00 O ATOM 638 CB PRO B 43 -10.465 -6.681 3.013 1.00 0.00 C ATOM 639 CG PRO B 43 -9.082 -7.259 3.312 1.00 0.00 C ATOM 640 CD PRO B 43 -8.174 -6.554 2.304 1.00 0.00 C ATOM 0 HA PRO B 43 -10.936 -4.926 1.853 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -11.104 -6.693 3.896 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -10.979 -7.252 2.240 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -8.776 -7.056 4.338 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -9.063 -8.341 3.181 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -7.188 -6.370 2.730 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -8.028 -7.168 1.416 1.00 0.00 H new ATOM 648 N ARG B 44 -10.422 -2.954 3.301 1.00 0.00 N ATOM 649 CA ARG B 44 -10.498 -1.805 4.188 1.00 0.00 C ATOM 650 C ARG B 44 -11.667 -1.987 5.159 1.00 0.00 C ATOM 651 O ARG B 44 -12.823 -2.012 4.738 1.00 0.00 O ATOM 652 CB ARG B 44 -10.669 -0.543 3.329 1.00 0.00 C ATOM 653 CG ARG B 44 -10.575 0.750 4.151 1.00 0.00 C ATOM 654 CD ARG B 44 -11.032 1.958 3.323 1.00 0.00 C ATOM 655 NE ARG B 44 -10.266 2.095 2.074 1.00 0.00 N ATOM 656 CZ ARG B 44 -9.209 2.899 1.866 1.00 0.00 C ATOM 657 NH1 ARG B 44 -8.704 3.659 2.847 1.00 0.00 N ATOM 658 NH2 ARG B 44 -8.648 2.946 0.652 1.00 0.00 N ATOM 0 H ARG B 44 -10.559 -2.702 2.322 1.00 0.00 H new ATOM 0 HA ARG B 44 -9.588 -1.708 4.780 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -9.905 -0.531 2.552 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -11.635 -0.579 2.825 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -11.191 0.663 5.046 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -9.548 0.900 4.485 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -12.092 1.856 3.089 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -10.923 2.866 3.916 1.00 0.00 H new ATOM 0 HE ARG B 44 -10.568 1.522 1.286 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -9.122 3.636 3.777 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -7.901 4.261 2.664 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -9.023 2.375 -0.105 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -7.846 3.553 0.484 1.00 0.00 H new ATOM 672 N GLY B 45 -11.364 -2.124 6.456 1.00 0.00 N ATOM 673 CA GLY B 45 -12.367 -2.341 7.487 1.00 0.00 C ATOM 674 C GLY B 45 -13.156 -1.063 7.799 1.00 0.00 C ATOM 675 O GLY B 45 -12.886 -0.012 7.217 1.00 0.00 O ATOM 0 H GLY B 45 -10.409 -2.086 6.814 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -13.055 -3.122 7.165 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -11.882 -2.698 8.395 1.00 0.00 H new ATOM 679 N PRO B 46 -14.133 -1.138 8.720 1.00 0.00 N ATOM 680 CA PRO B 46 -14.954 -0.004 9.126 1.00 0.00 C ATOM 681 C PRO B 46 -14.126 1.150 9.698 1.00 0.00 C ATOM 682 O PRO B 46 -13.004 0.950 10.161 1.00 0.00 O ATOM 683 CB PRO B 46 -15.921 -0.551 10.182 1.00 0.00 C ATOM 684 CG PRO B 46 -15.990 -2.044 9.876 1.00 0.00 C ATOM 685 CD PRO B 46 -14.575 -2.350 9.390 1.00 0.00 C ATOM 0 HA PRO B 46 -15.474 0.415 8.264 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -15.556 -0.366 11.192 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -16.902 -0.082 10.107 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -16.250 -2.627 10.759 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -16.737 -2.268 9.115 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -13.918 -2.602 10.223 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -14.568 -3.201 8.710 1.00 0.00 H new ATOM 693 N ARG B 47 -14.699 2.360 9.682 1.00 0.00 N ATOM 694 CA ARG B 47 -14.081 3.543 10.263 1.00 0.00 C ATOM 695 C ARG B 47 -14.182 3.447 11.786 1.00 0.00 C ATOM 696 O ARG B 47 -15.199 3.823 12.366 1.00 0.00 O ATOM 697 CB ARG B 47 -14.760 4.803 9.703 1.00 0.00 C ATOM 698 CG ARG B 47 -14.209 6.122 10.270 1.00 0.00 C ATOM 699 CD ARG B 47 -12.713 6.314 9.985 1.00 0.00 C ATOM 700 NE ARG B 47 -12.244 7.637 10.424 1.00 0.00 N ATOM 701 CZ ARG B 47 -12.396 8.787 9.745 1.00 0.00 C ATOM 702 NH1 ARG B 47 -13.034 8.814 8.566 1.00 0.00 N ATOM 703 NH2 ARG B 47 -11.904 9.924 10.256 1.00 0.00 N ATOM 0 H ARG B 47 -15.611 2.540 9.261 1.00 0.00 H new ATOM 0 HA ARG B 47 -13.025 3.606 10.000 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -14.647 4.811 8.619 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -15.828 4.749 9.912 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -14.765 6.956 9.843 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -14.375 6.146 11.347 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -12.142 5.538 10.494 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -12.527 6.197 8.917 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.762 7.686 11.321 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -13.413 7.953 8.171 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -13.141 9.695 8.064 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -11.419 9.912 11.153 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -12.015 10.801 9.748 1.00 0.00 H new ATOM 717 N GLY B 48 -13.133 2.917 12.425 1.00 0.00 N ATOM 718 CA GLY B 48 -13.120 2.641 13.854 1.00 0.00 C ATOM 719 C GLY B 48 -13.774 1.285 14.140 1.00 0.00 C ATOM 720 O GLY B 48 -13.896 0.459 13.236 1.00 0.00 O ATOM 0 H GLY B 48 -12.263 2.667 11.954 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -12.094 2.642 14.222 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -13.651 3.429 14.388 1.00 0.00 H new ATOM 724 N PRO B 49 -14.227 1.044 15.382 1.00 0.00 N ATOM 725 CA PRO B 49 -14.898 -0.175 15.793 1.00 0.00 C ATOM 726 C PRO B 49 -16.394 0.081 15.613 1.00 0.00 C ATOM 727 O PRO B 49 -17.186 -0.128 16.531 1.00 0.00 O ATOM 728 CB PRO B 49 -14.508 -0.298 17.267 1.00 0.00 C ATOM 729 CG PRO B 49 -14.534 1.158 17.747 1.00 0.00 C ATOM 730 CD PRO B 49 -14.263 1.987 16.484 1.00 0.00 C ATOM 0 HA PRO B 49 -14.643 -1.081 15.243 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -15.211 -0.919 17.821 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -13.522 -0.747 17.389 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -15.497 1.412 18.189 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -13.776 1.338 18.509 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -15.043 2.733 16.333 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -13.319 2.526 16.567 1.00 0.00 H new ATOM 738 N ARG B 50 -16.757 0.587 14.429 1.00 0.00 N ATOM 739 CA ARG B 50 -18.069 1.127 14.141 1.00 0.00 C ATOM 740 C ARG B 50 -19.214 0.174 14.522 1.00 0.00 C ATOM 741 O ARG B 50 -20.077 0.589 15.295 1.00 0.00 O ATOM 742 CB ARG B 50 -18.119 1.612 12.686 1.00 0.00 C ATOM 743 CG ARG B 50 -19.474 2.220 12.307 1.00 0.00 C ATOM 744 CD ARG B 50 -19.420 2.798 10.889 1.00 0.00 C ATOM 745 NE ARG B 50 -19.186 1.745 9.889 1.00 0.00 N ATOM 746 CZ ARG B 50 -18.678 1.934 8.658 1.00 0.00 C ATOM 747 NH1 ARG B 50 -18.360 3.162 8.223 1.00 0.00 N ATOM 748 NH2 ARG B 50 -18.486 0.879 7.855 1.00 0.00 N ATOM 0 H ARG B 50 -16.122 0.628 13.631 1.00 0.00 H new ATOM 0 HA ARG B 50 -18.234 1.993 14.782 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -17.336 2.354 12.528 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -17.903 0.775 12.022 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -20.251 1.458 12.367 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -19.740 3.004 13.017 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -20.356 3.311 10.668 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -18.626 3.543 10.828 1.00 0.00 H new ATOM 0 HE ARG B 50 -19.430 0.790 10.151 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -18.502 3.970 8.829 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -17.976 3.288 7.287 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -18.725 -0.058 8.179 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -18.101 1.013 6.920 1.00 0.00 H new ATOM 762 N PRO B 51 -19.247 -1.085 14.042 1.00 0.00 N ATOM 763 CA PRO B 51 -20.205 -2.077 14.512 1.00 0.00 C ATOM 764 C PRO B 51 -19.797 -2.565 15.908 1.00 0.00 C ATOM 765 O PRO B 51 -19.264 -3.664 16.062 1.00 0.00 O ATOM 766 CB PRO B 51 -20.173 -3.193 13.462 1.00 0.00 C ATOM 767 CG PRO B 51 -18.725 -3.155 12.976 1.00 0.00 C ATOM 768 CD PRO B 51 -18.411 -1.660 12.994 1.00 0.00 C ATOM 0 HA PRO B 51 -21.217 -1.685 14.617 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -20.431 -4.161 13.892 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -20.877 -3.007 12.651 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -18.061 -3.717 13.633 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -18.620 -3.580 11.978 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -17.355 -1.486 13.198 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -18.628 -1.204 12.028 1.00 0.00 H new ATOM 776 N GLN B 52 -20.049 -1.735 16.927 1.00 0.00 N ATOM 777 CA GLN B 52 -19.700 -2.012 18.313 1.00 0.00 C ATOM 778 C GLN B 52 -20.747 -2.948 18.927 1.00 0.00 C ATOM 779 O GLN B 52 -21.554 -2.534 19.758 1.00 0.00 O ATOM 780 CB GLN B 52 -19.567 -0.682 19.072 1.00 0.00 C ATOM 781 CG GLN B 52 -18.915 -0.877 20.447 1.00 0.00 C ATOM 782 CD GLN B 52 -18.755 0.454 21.175 1.00 0.00 C ATOM 783 OE1 GLN B 52 -17.646 0.968 21.302 1.00 0.00 O ATOM 784 NE2 GLN B 52 -19.864 1.016 21.658 1.00 0.00 N ATOM 0 H GLN B 52 -20.511 -0.835 16.801 1.00 0.00 H new ATOM 0 HA GLN B 52 -18.739 -2.523 18.379 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -18.972 0.016 18.483 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -20.553 -0.234 19.197 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -19.523 -1.553 21.048 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -17.940 -1.348 20.326 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -20.766 0.556 21.531 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -19.810 1.906 22.154 1.00 0.00 H new ATOM 793 N THR B 53 -20.731 -4.212 18.493 1.00 0.00 N ATOM 794 CA THR B 53 -21.640 -5.249 18.956 1.00 0.00 C ATOM 795 C THR B 53 -21.231 -5.704 20.359 1.00 0.00 C ATOM 796 O THR B 53 -22.125 -5.732 21.233 1.00 0.00 O ATOM 797 CB THR B 53 -21.625 -6.414 17.956 1.00 0.00 C ATOM 798 OG1 THR B 53 -21.888 -5.925 16.655 1.00 0.00 O ATOM 799 CG2 THR B 53 -22.675 -7.473 18.308 1.00 0.00 C ATOM 800 OXT THR B 53 -20.034 -6.022 20.531 1.00 0.00 O ATOM 0 H THR B 53 -20.067 -4.544 17.793 1.00 0.00 H new ATOM 0 HA THR B 53 -22.657 -4.862 19.016 1.00 0.00 H new ATOM 0 HB THR B 53 -20.639 -6.877 17.999 1.00 0.00 H new ATOM 0 HG1 THR B 53 -21.876 -6.669 16.017 1.00 0.00 H new ATOM 0 HG21 THR B 53 -22.635 -8.282 17.578 1.00 0.00 H new ATOM 0 HG22 THR B 53 -22.472 -7.871 19.302 1.00 0.00 H new ATOM 0 HG23 THR B 53 -23.667 -7.021 18.294 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.637 -0.732 -3.025 1.00 0.00 ZN