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 20 GLN : amide:sc= 0.677 K(o=1.4,f=-1.8) USER MOD Set 1.2: B 30 LYS NZ :NH3+ 147:sc= 0.703 (180deg=0.152) USER MOD Single : A 1 DA O5' : rot 104:sc= 0.632 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 150:sc= 0.00533 USER MOD Single : B 25 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.094) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 179:sc= 0.226 (180deg=0.212) USER MOD Single : B 37 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.04) USER MOD Single : B 41 LYS NZ :NH3+ -164:sc= 0.806 (180deg=0.617) USER MOD Single : B 42 LYS NZ :NH3+ 167:sc= 1.48 (180deg=1.32) USER MOD Single : B 52 GLN : amide:sc= 0.348 K(o=0.35,f=-5.4!) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 1.338 -7.758 0.474 1.00 0.00 O ATOM 2 C5' DA A 1 2.276 -7.919 1.515 1.00 0.00 C ATOM 3 C4' DA A 1 1.666 -7.617 2.894 1.00 0.00 C ATOM 4 O4' DA A 1 2.729 -7.589 3.834 1.00 0.00 O ATOM 5 C3' DA A 1 0.957 -6.263 2.992 1.00 0.00 C ATOM 6 O3' DA A 1 0.102 -6.231 4.128 1.00 0.00 O ATOM 7 C2' DA A 1 2.176 -5.398 3.204 1.00 0.00 C ATOM 8 C1' DA A 1 2.974 -6.241 4.193 1.00 0.00 C ATOM 9 N9 DA A 1 4.425 -5.938 4.196 1.00 0.00 N ATOM 10 C8 DA A 1 5.221 -5.452 3.186 1.00 0.00 C ATOM 11 N7 DA A 1 6.477 -5.310 3.511 1.00 0.00 N ATOM 12 C5 DA A 1 6.516 -5.709 4.841 1.00 0.00 C ATOM 13 C6 DA A 1 7.546 -5.745 5.805 1.00 0.00 C ATOM 14 N6 DA A 1 8.794 -5.337 5.550 1.00 0.00 N ATOM 15 N1 DA A 1 7.256 -6.199 7.039 1.00 0.00 N ATOM 16 C2 DA A 1 6.006 -6.567 7.313 1.00 0.00 C ATOM 17 N3 DA A 1 4.946 -6.553 6.508 1.00 0.00 N ATOM 18 C4 DA A 1 5.271 -6.102 5.266 1.00 0.00 C ATOM 0 H5' DA A 1 3.126 -7.259 1.342 1.00 0.00 H new ATOM 0 H5'' DA A 1 2.658 -8.940 1.504 1.00 0.00 H new ATOM 0 H4' DA A 1 0.920 -8.390 3.080 1.00 0.00 H new ATOM 0 H3' DA A 1 0.317 -5.987 2.154 1.00 0.00 H new ATOM 0 H2' DA A 1 2.723 -5.224 2.277 1.00 0.00 H new ATOM 0 H2'' DA A 1 1.920 -4.420 3.611 1.00 0.00 H new ATOM 0 HO5' DA A 1 1.516 -6.919 0.000 1.00 0.00 H new ATOM 0 H1' DA A 1 2.654 -6.021 5.211 1.00 0.00 H new ATOM 0 H8 DA A 1 4.839 -5.208 2.206 1.00 0.00 H new ATOM 0 H61 DA A 1 9.505 -5.382 6.280 1.00 0.00 H new ATOM 0 H62 DA A 1 9.035 -4.980 4.625 1.00 0.00 H new ATOM 0 H2 DA A 1 5.830 -6.923 8.317 1.00 0.00 H new ATOM 31 P DC A 2 -1.129 -5.186 4.259 1.00 0.00 P ATOM 32 OP1 DC A 2 -1.927 -5.573 5.443 1.00 0.00 O ATOM 33 OP2 DC A 2 -1.793 -5.111 2.938 1.00 0.00 O ATOM 34 O5' DC A 2 -0.477 -3.733 4.540 1.00 0.00 O ATOM 35 C5' DC A 2 -0.454 -3.092 5.809 1.00 0.00 C ATOM 36 C4' DC A 2 0.800 -3.450 6.616 1.00 0.00 C ATOM 37 O4' DC A 2 1.923 -3.435 5.761 1.00 0.00 O ATOM 38 C3' DC A 2 1.122 -2.415 7.712 1.00 0.00 C ATOM 39 O3' DC A 2 0.888 -2.929 9.010 1.00 0.00 O ATOM 40 C2' DC A 2 2.614 -2.142 7.501 1.00 0.00 C ATOM 41 C1' DC A 2 3.060 -3.250 6.566 1.00 0.00 C ATOM 42 N1 DC A 2 4.274 -2.843 5.813 1.00 0.00 N ATOM 43 C2 DC A 2 5.518 -2.957 6.437 1.00 0.00 C ATOM 44 O2 DC A 2 5.607 -3.329 7.604 1.00 0.00 O ATOM 45 N3 DC A 2 6.639 -2.657 5.716 1.00 0.00 N ATOM 46 C4 DC A 2 6.555 -2.259 4.439 1.00 0.00 C ATOM 47 N4 DC A 2 7.685 -2.032 3.757 1.00 0.00 N ATOM 48 C5 DC A 2 5.279 -2.064 3.810 1.00 0.00 C ATOM 49 C6 DC A 2 4.177 -2.353 4.537 1.00 0.00 C ATOM 0 H5' DC A 2 -1.341 -3.377 6.374 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.498 -2.012 5.669 1.00 0.00 H new ATOM 0 H4' DC A 2 0.601 -4.424 7.064 1.00 0.00 H new ATOM 0 H3' DC A 2 0.498 -1.524 7.641 1.00 0.00 H new ATOM 0 H2' DC A 2 2.782 -1.158 7.063 1.00 0.00 H new ATOM 0 H2'' DC A 2 3.162 -2.169 8.443 1.00 0.00 H new ATOM 0 H1' DC A 2 3.363 -4.175 7.057 1.00 0.00 H new ATOM 0 H41 DC A 2 7.641 -1.729 2.784 1.00 0.00 H new ATOM 0 H42 DC A 2 8.589 -2.163 4.210 1.00 0.00 H new ATOM 0 H5 DC A 2 5.203 -1.701 2.796 1.00 0.00 H new ATOM 0 H6 DC A 2 3.201 -2.195 4.104 1.00 0.00 H new ATOM 61 P DG A 3 0.703 -1.957 10.292 1.00 0.00 P ATOM 62 OP1 DG A 3 0.788 -2.807 11.501 1.00 0.00 O ATOM 63 OP2 DG A 3 -0.511 -1.138 10.068 1.00 0.00 O ATOM 64 O5' DG A 3 1.991 -0.984 10.277 1.00 0.00 O ATOM 65 C5' DG A 3 1.860 0.422 10.371 1.00 0.00 C ATOM 66 C4' DG A 3 3.201 1.110 10.079 1.00 0.00 C ATOM 67 O4' DG A 3 3.595 0.712 8.773 1.00 0.00 O ATOM 68 C3' DG A 3 2.993 2.632 10.061 1.00 0.00 C ATOM 69 O3' DG A 3 4.056 3.452 10.549 1.00 0.00 O ATOM 70 C2' DG A 3 2.649 2.890 8.608 1.00 0.00 C ATOM 71 C1' DG A 3 3.418 1.787 7.873 1.00 0.00 C ATOM 72 N9 DG A 3 2.768 1.354 6.613 1.00 0.00 N ATOM 73 C8 DG A 3 1.440 1.144 6.333 1.00 0.00 C ATOM 74 N7 DG A 3 1.188 0.910 5.075 1.00 0.00 N ATOM 75 C5 DG A 3 2.441 0.933 4.475 1.00 0.00 C ATOM 76 C6 DG A 3 2.813 0.817 3.100 1.00 0.00 C ATOM 77 O6 DG A 3 2.083 0.746 2.117 1.00 0.00 O ATOM 78 N1 DG A 3 4.192 0.838 2.919 1.00 0.00 N ATOM 79 C2 DG A 3 5.107 0.967 3.947 1.00 0.00 C ATOM 80 N2 DG A 3 6.397 0.907 3.622 1.00 0.00 N ATOM 81 N3 DG A 3 4.764 1.125 5.233 1.00 0.00 N ATOM 82 C4 DG A 3 3.418 1.118 5.425 1.00 0.00 C ATOM 0 H5' DG A 3 1.515 0.695 11.368 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.105 0.770 9.666 1.00 0.00 H new ATOM 0 H4' DG A 3 3.944 0.843 10.831 1.00 0.00 H new ATOM 0 H3' DG A 3 2.223 2.923 10.776 1.00 0.00 H new ATOM 0 H2' DG A 3 1.576 2.823 8.429 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.964 3.884 8.289 1.00 0.00 H new ATOM 0 H1' DG A 3 4.384 2.182 7.557 1.00 0.00 H new ATOM 0 H8 DG A 3 0.670 1.170 7.090 1.00 0.00 H new ATOM 0 H1 DG A 3 4.551 0.753 1.968 1.00 0.00 H new ATOM 0 H21 DG A 3 7.110 0.997 4.346 1.00 0.00 H new ATOM 0 H22 DG A 3 6.672 0.771 2.649 1.00 0.00 H new ATOM 94 P DC A 4 5.573 3.521 9.964 1.00 0.00 P ATOM 95 OP1 DC A 4 5.995 2.156 9.579 1.00 0.00 O ATOM 96 OP2 DC A 4 6.380 4.250 10.964 1.00 0.00 O ATOM 97 O5' DC A 4 5.563 4.441 8.620 1.00 0.00 O ATOM 98 C5' DC A 4 6.705 4.448 7.772 1.00 0.00 C ATOM 99 C4' DC A 4 6.871 5.646 6.822 1.00 0.00 C ATOM 100 O4' DC A 4 5.978 5.625 5.723 1.00 0.00 O ATOM 101 C3' DC A 4 6.737 7.034 7.469 1.00 0.00 C ATOM 102 O3' DC A 4 7.921 7.786 7.256 1.00 0.00 O ATOM 103 C2' DC A 4 5.607 7.666 6.654 1.00 0.00 C ATOM 104 C1' DC A 4 5.799 6.962 5.313 1.00 0.00 C ATOM 105 N1 DC A 4 4.730 7.145 4.277 1.00 0.00 N ATOM 106 C2 DC A 4 5.128 7.238 2.935 1.00 0.00 C ATOM 107 O2 DC A 4 6.313 7.310 2.620 1.00 0.00 O ATOM 108 N3 DC A 4 4.175 7.252 1.963 1.00 0.00 N ATOM 109 C4 DC A 4 2.874 7.217 2.264 1.00 0.00 C ATOM 110 N4 DC A 4 1.987 7.182 1.264 1.00 0.00 N ATOM 111 C5 DC A 4 2.431 7.212 3.629 1.00 0.00 C ATOM 112 C6 DC A 4 3.389 7.186 4.592 1.00 0.00 C ATOM 0 H5' DC A 4 6.683 3.540 7.169 1.00 0.00 H new ATOM 0 H5'' DC A 4 7.593 4.391 8.402 1.00 0.00 H new ATOM 0 H4' DC A 4 7.902 5.510 6.494 1.00 0.00 H new ATOM 0 H3' DC A 4 6.559 6.995 8.544 1.00 0.00 H new ATOM 0 H2' DC A 4 4.626 7.472 7.087 1.00 0.00 H new ATOM 0 H2'' DC A 4 5.711 8.748 6.572 1.00 0.00 H new ATOM 0 H1' DC A 4 6.631 7.389 4.753 1.00 0.00 H new ATOM 0 H41 DC A 4 0.988 7.155 1.469 1.00 0.00 H new ATOM 0 H42 DC A 4 2.309 7.182 0.296 1.00 0.00 H new ATOM 0 H5 DC A 4 1.381 7.228 3.880 1.00 0.00 H new ATOM 0 H6 DC A 4 3.092 7.198 5.630 1.00 0.00 H new ATOM 124 P DC A 5 9.226 7.637 8.197 1.00 0.00 P ATOM 125 OP1 DC A 5 10.399 8.057 7.399 1.00 0.00 O ATOM 126 OP2 DC A 5 9.215 6.298 8.823 1.00 0.00 O ATOM 127 O5' DC A 5 8.961 8.742 9.343 1.00 0.00 O ATOM 128 C5' DC A 5 8.968 10.129 9.051 1.00 0.00 C ATOM 129 C4' DC A 5 7.642 10.769 9.468 1.00 0.00 C ATOM 130 O4' DC A 5 6.551 10.133 8.835 1.00 0.00 O ATOM 131 C3' DC A 5 7.334 10.657 10.958 1.00 0.00 C ATOM 132 O3' DC A 5 8.034 11.615 11.722 1.00 0.00 O ATOM 133 C2' DC A 5 5.833 10.924 10.956 1.00 0.00 C ATOM 134 C1' DC A 5 5.378 10.438 9.569 1.00 0.00 C ATOM 135 N1 DC A 5 4.511 9.226 9.623 1.00 0.00 N ATOM 136 C2 DC A 5 3.344 9.189 8.851 1.00 0.00 C ATOM 137 O2 DC A 5 3.032 10.125 8.117 1.00 0.00 O ATOM 138 N3 DC A 5 2.551 8.080 8.918 1.00 0.00 N ATOM 139 C4 DC A 5 2.879 7.038 9.696 1.00 0.00 C ATOM 140 N4 DC A 5 2.057 5.984 9.736 1.00 0.00 N ATOM 141 C5 DC A 5 4.083 7.042 10.476 1.00 0.00 C ATOM 142 C6 DC A 5 4.860 8.147 10.402 1.00 0.00 C ATOM 0 H5' DC A 5 9.133 10.282 7.984 1.00 0.00 H new ATOM 0 H5'' DC A 5 9.793 10.613 9.574 1.00 0.00 H new ATOM 0 H4' DC A 5 7.762 11.814 9.184 1.00 0.00 H new ATOM 0 H3' DC A 5 7.628 9.707 11.405 1.00 0.00 H new ATOM 0 H2' DC A 5 5.329 10.381 11.756 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.614 11.982 11.101 1.00 0.00 H new ATOM 0 HO3' DC A 5 7.806 11.508 12.669 1.00 0.00 H new ATOM 0 H1' DC A 5 4.780 11.223 9.106 1.00 0.00 H new ATOM 0 H41 DC A 5 2.286 5.180 10.321 1.00 0.00 H new ATOM 0 H42 DC A 5 1.201 5.984 9.182 1.00 0.00 H new ATOM 0 H5 DC A 5 4.357 6.200 11.095 1.00 0.00 H new ATOM 0 H6 DC A 5 5.778 8.183 10.969 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 11.805 5.648 -0.778 1.00 0.00 N ATOM 157 CA GLY B 14 11.747 6.085 0.629 1.00 0.00 C ATOM 158 C GLY B 14 12.557 5.192 1.573 1.00 0.00 C ATOM 159 O GLY B 14 12.790 5.577 2.717 1.00 0.00 O ATOM 0 HA2 GLY B 14 12.117 7.108 0.700 1.00 0.00 H new ATOM 0 HA3 GLY B 14 10.707 6.099 0.956 1.00 0.00 H new ATOM 165 N GLU B 15 12.990 4.018 1.089 1.00 0.00 N ATOM 166 CA GLU B 15 13.962 3.135 1.717 1.00 0.00 C ATOM 167 C GLU B 15 13.350 2.247 2.809 1.00 0.00 C ATOM 168 O GLU B 15 13.522 2.514 3.997 1.00 0.00 O ATOM 169 CB GLU B 15 15.210 3.910 2.203 1.00 0.00 C ATOM 170 CG GLU B 15 15.701 5.065 1.305 1.00 0.00 C ATOM 171 CD GLU B 15 15.743 4.721 -0.179 1.00 0.00 C ATOM 172 OE1 GLU B 15 16.735 4.080 -0.584 1.00 0.00 O ATOM 173 OE2 GLU B 15 14.779 5.087 -0.890 1.00 0.00 O ATOM 0 H GLU B 15 12.649 3.647 0.202 1.00 0.00 H new ATOM 0 HA GLU B 15 14.301 2.446 0.943 1.00 0.00 H new ATOM 0 HB2 GLU B 15 14.995 4.315 3.192 1.00 0.00 H new ATOM 0 HB3 GLU B 15 16.028 3.199 2.321 1.00 0.00 H new ATOM 0 HG2 GLU B 15 15.049 5.926 1.450 1.00 0.00 H new ATOM 0 HG3 GLU B 15 16.699 5.363 1.627 1.00 0.00 H new ATOM 180 N ARG B 16 12.673 1.161 2.407 1.00 0.00 N ATOM 181 CA ARG B 16 12.225 0.105 3.312 1.00 0.00 C ATOM 182 C ARG B 16 11.889 -1.159 2.513 1.00 0.00 C ATOM 183 O ARG B 16 10.731 -1.374 2.168 1.00 0.00 O ATOM 184 CB ARG B 16 11.027 0.555 4.174 1.00 0.00 C ATOM 185 CG ARG B 16 10.692 -0.519 5.226 1.00 0.00 C ATOM 186 CD ARG B 16 9.364 -0.257 5.942 1.00 0.00 C ATOM 187 NE ARG B 16 9.468 0.804 6.948 1.00 0.00 N ATOM 188 CZ ARG B 16 8.468 1.150 7.775 1.00 0.00 C ATOM 189 NH1 ARG B 16 7.245 0.615 7.647 1.00 0.00 N ATOM 190 NH2 ARG B 16 8.688 2.040 8.750 1.00 0.00 N ATOM 0 H ARG B 16 12.421 0.994 1.433 1.00 0.00 H new ATOM 0 HA ARG B 16 13.040 -0.119 4.000 1.00 0.00 H new ATOM 0 HB2 ARG B 16 11.260 1.498 4.669 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.160 0.734 3.538 1.00 0.00 H new ATOM 0 HG2 ARG B 16 10.652 -1.495 4.742 1.00 0.00 H new ATOM 0 HG3 ARG B 16 11.494 -0.562 5.963 1.00 0.00 H new ATOM 0 HD2 ARG B 16 8.607 0.016 5.207 1.00 0.00 H new ATOM 0 HD3 ARG B 16 9.026 -1.176 6.421 1.00 0.00 H new ATOM 0 HE ARG B 16 10.351 1.309 7.024 1.00 0.00 H new ATOM 0 HH11 ARG B 16 7.061 -0.068 6.912 1.00 0.00 H new ATOM 0 HH12 ARG B 16 6.498 0.891 8.285 1.00 0.00 H new ATOM 0 HH21 ARG B 16 9.613 2.454 8.864 1.00 0.00 H new ATOM 0 HH22 ARG B 16 7.930 2.305 9.379 1.00 0.00 H new ATOM 204 N ARG B 17 12.885 -2.022 2.271 1.00 0.00 N ATOM 205 CA ARG B 17 12.691 -3.362 1.718 1.00 0.00 C ATOM 206 C ARG B 17 11.946 -3.327 0.377 1.00 0.00 C ATOM 207 O ARG B 17 10.758 -3.648 0.315 1.00 0.00 O ATOM 208 CB ARG B 17 11.965 -4.246 2.750 1.00 0.00 C ATOM 209 CG ARG B 17 11.874 -5.720 2.316 1.00 0.00 C ATOM 210 CD ARG B 17 10.649 -6.380 2.956 1.00 0.00 C ATOM 211 NE ARG B 17 10.465 -7.755 2.472 1.00 0.00 N ATOM 212 CZ ARG B 17 9.289 -8.397 2.355 1.00 0.00 C ATOM 213 NH1 ARG B 17 8.130 -7.816 2.703 1.00 0.00 N ATOM 214 NH2 ARG B 17 9.273 -9.649 1.878 1.00 0.00 N ATOM 0 H ARG B 17 13.863 -1.801 2.458 1.00 0.00 H new ATOM 0 HA ARG B 17 13.669 -3.796 1.511 1.00 0.00 H new ATOM 0 HB2 ARG B 17 12.487 -4.185 3.705 1.00 0.00 H new ATOM 0 HB3 ARG B 17 10.960 -3.857 2.911 1.00 0.00 H new ATOM 0 HG2 ARG B 17 11.806 -5.784 1.230 1.00 0.00 H new ATOM 0 HG3 ARG B 17 12.779 -6.251 2.611 1.00 0.00 H new ATOM 0 HD2 ARG B 17 10.763 -6.387 4.040 1.00 0.00 H new ATOM 0 HD3 ARG B 17 9.759 -5.792 2.732 1.00 0.00 H new ATOM 0 HE ARG B 17 11.304 -8.268 2.201 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.126 -6.863 3.067 1.00 0.00 H new ATOM 0 HH12 ARG B 17 7.253 -8.327 2.603 1.00 0.00 H new ATOM 0 HH21 ARG B 17 10.146 -10.103 1.609 1.00 0.00 H new ATOM 0 HH22 ARG B 17 8.388 -10.148 1.784 1.00 0.00 H new ATOM 228 N ARG B 18 12.657 -3.004 -0.710 1.00 0.00 N ATOM 229 CA ARG B 18 12.107 -3.103 -2.056 1.00 0.00 C ATOM 230 C ARG B 18 12.226 -4.535 -2.582 1.00 0.00 C ATOM 231 O ARG B 18 12.850 -4.788 -3.611 1.00 0.00 O ATOM 232 CB ARG B 18 12.715 -2.055 -2.998 1.00 0.00 C ATOM 233 CG ARG B 18 14.250 -2.036 -3.071 1.00 0.00 C ATOM 234 CD ARG B 18 14.877 -0.957 -2.179 1.00 0.00 C ATOM 235 NE ARG B 18 14.400 0.388 -2.534 1.00 0.00 N ATOM 236 CZ ARG B 18 14.871 1.527 -2.007 1.00 0.00 C ATOM 237 NH1 ARG B 18 15.907 1.502 -1.159 1.00 0.00 N ATOM 238 NH2 ARG B 18 14.300 2.693 -2.337 1.00 0.00 N ATOM 0 H ARG B 18 13.620 -2.670 -0.677 1.00 0.00 H new ATOM 0 HA ARG B 18 11.043 -2.872 -2.014 1.00 0.00 H new ATOM 0 HB2 ARG B 18 12.324 -2.224 -4.001 1.00 0.00 H new ATOM 0 HB3 ARG B 18 12.372 -1.069 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG B 18 14.635 -3.012 -2.776 1.00 0.00 H new ATOM 0 HG3 ARG B 18 14.558 -1.870 -4.104 1.00 0.00 H new ATOM 0 HD2 ARG B 18 14.639 -1.164 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG B 18 15.962 -0.994 -2.271 1.00 0.00 H new ATOM 0 HE ARG B 18 13.658 0.459 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG B 18 16.342 0.613 -0.911 1.00 0.00 H new ATOM 0 HH12 ARG B 18 16.261 2.372 -0.761 1.00 0.00 H new ATOM 0 HH21 ARG B 18 13.513 2.710 -2.985 1.00 0.00 H new ATOM 0 HH22 ARG B 18 14.653 3.564 -1.940 1.00 0.00 H new ATOM 252 N SER B 19 11.584 -5.468 -1.872 1.00 0.00 N ATOM 253 CA SER B 19 11.390 -6.838 -2.312 1.00 0.00 C ATOM 254 C SER B 19 10.472 -6.835 -3.536 1.00 0.00 C ATOM 255 O SER B 19 10.778 -7.456 -4.552 1.00 0.00 O ATOM 256 CB SER B 19 10.794 -7.652 -1.156 1.00 0.00 C ATOM 257 OG SER B 19 9.660 -7.013 -0.599 1.00 0.00 O ATOM 0 H SER B 19 11.178 -5.279 -0.955 1.00 0.00 H new ATOM 0 HA SER B 19 12.337 -7.298 -2.596 1.00 0.00 H new ATOM 0 HB2 SER B 19 10.515 -8.643 -1.514 1.00 0.00 H new ATOM 0 HB3 SER B 19 11.549 -7.794 -0.383 1.00 0.00 H new ATOM 0 HG SER B 19 9.044 -7.689 -0.246 1.00 0.00 H new ATOM 263 N GLN B 20 9.361 -6.101 -3.421 1.00 0.00 N ATOM 264 CA GLN B 20 8.426 -5.799 -4.495 1.00 0.00 C ATOM 265 C GLN B 20 8.080 -4.308 -4.454 1.00 0.00 C ATOM 266 O GLN B 20 8.076 -3.642 -5.486 1.00 0.00 O ATOM 267 CB GLN B 20 7.148 -6.626 -4.323 1.00 0.00 C ATOM 268 CG GLN B 20 7.376 -8.134 -4.459 1.00 0.00 C ATOM 269 CD GLN B 20 6.071 -8.920 -4.324 1.00 0.00 C ATOM 270 OE1 GLN B 20 5.030 -8.368 -3.966 1.00 0.00 O ATOM 271 NE2 GLN B 20 6.123 -10.221 -4.610 1.00 0.00 N ATOM 0 H GLN B 20 9.081 -5.685 -2.533 1.00 0.00 H new ATOM 0 HA GLN B 20 8.883 -6.046 -5.453 1.00 0.00 H new ATOM 0 HB2 GLN B 20 6.719 -6.418 -3.343 1.00 0.00 H new ATOM 0 HB3 GLN B 20 6.416 -6.308 -5.066 1.00 0.00 H new ATOM 0 HG2 GLN B 20 7.830 -8.347 -5.427 1.00 0.00 H new ATOM 0 HG3 GLN B 20 8.081 -8.465 -3.696 1.00 0.00 H new ATOM 0 HE21 GLN B 20 7.004 -10.644 -4.904 1.00 0.00 H new ATOM 0 HE22 GLN B 20 5.282 -10.794 -4.535 1.00 0.00 H new ATOM 280 N LEU B 21 7.762 -3.809 -3.253 1.00 0.00 N ATOM 281 CA LEU B 21 7.302 -2.459 -2.991 1.00 0.00 C ATOM 282 C LEU B 21 8.501 -1.564 -2.640 1.00 0.00 C ATOM 283 O LEU B 21 9.432 -1.470 -3.437 1.00 0.00 O ATOM 284 CB LEU B 21 6.199 -2.526 -1.913 1.00 0.00 C ATOM 285 CG LEU B 21 6.605 -3.328 -0.656 1.00 0.00 C ATOM 286 CD1 LEU B 21 6.162 -2.597 0.608 1.00 0.00 C ATOM 287 CD2 LEU B 21 5.961 -4.721 -0.623 1.00 0.00 C ATOM 0 H LEU B 21 7.825 -4.370 -2.404 1.00 0.00 H new ATOM 0 HA LEU B 21 6.851 -1.997 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU B 21 5.932 -1.512 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU B 21 5.306 -2.976 -2.347 1.00 0.00 H new ATOM 0 HG LEU B 21 7.690 -3.429 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU B 21 6.455 -3.175 1.484 1.00 0.00 H new ATOM 0 HD12 LEU B 21 6.635 -1.616 0.645 1.00 0.00 H new ATOM 0 HD13 LEU B 21 5.079 -2.477 0.598 1.00 0.00 H new ATOM 0 HD21 LEU B 21 6.276 -5.246 0.279 1.00 0.00 H new ATOM 0 HD22 LEU B 21 4.876 -4.620 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.273 -5.287 -1.501 1.00 0.00 H new ATOM 299 N ASP B 22 8.465 -0.939 -1.455 1.00 0.00 N ATOM 300 CA ASP B 22 9.494 -0.142 -0.786 1.00 0.00 C ATOM 301 C ASP B 22 8.845 0.539 0.433 1.00 0.00 C ATOM 302 O ASP B 22 8.413 -0.137 1.366 1.00 0.00 O ATOM 303 CB ASP B 22 10.204 0.867 -1.719 1.00 0.00 C ATOM 304 CG ASP B 22 11.321 1.624 -0.994 1.00 0.00 C ATOM 305 OD1 ASP B 22 12.198 0.946 -0.417 1.00 0.00 O ATOM 306 OD2 ASP B 22 11.272 2.875 -1.010 1.00 0.00 O ATOM 0 H ASP B 22 7.622 -0.987 -0.883 1.00 0.00 H new ATOM 0 HA ASP B 22 10.296 -0.805 -0.462 1.00 0.00 H new ATOM 0 HB2 ASP B 22 10.620 0.338 -2.576 1.00 0.00 H new ATOM 0 HB3 ASP B 22 9.475 1.579 -2.107 1.00 0.00 H new ATOM 311 N ARG B 23 8.765 1.874 0.431 1.00 0.00 N ATOM 312 CA ARG B 23 8.386 2.691 1.567 1.00 0.00 C ATOM 313 C ARG B 23 7.187 3.560 1.184 1.00 0.00 C ATOM 314 O ARG B 23 6.135 3.480 1.810 1.00 0.00 O ATOM 315 CB ARG B 23 9.630 3.482 1.967 1.00 0.00 C ATOM 316 CG ARG B 23 9.513 4.239 3.292 1.00 0.00 C ATOM 317 CD ARG B 23 8.684 5.520 3.182 1.00 0.00 C ATOM 318 NE ARG B 23 9.193 6.560 4.092 1.00 0.00 N ATOM 319 CZ ARG B 23 9.381 7.862 3.804 1.00 0.00 C ATOM 320 NH1 ARG B 23 9.072 8.381 2.607 1.00 0.00 N ATOM 321 NH2 ARG B 23 9.893 8.674 4.736 1.00 0.00 N ATOM 0 H ARG B 23 8.973 2.428 -0.400 1.00 0.00 H new ATOM 0 HA ARG B 23 8.060 2.108 2.429 1.00 0.00 H new ATOM 0 HB2 ARG B 23 10.474 2.796 2.031 1.00 0.00 H new ATOM 0 HB3 ARG B 23 9.859 4.196 1.176 1.00 0.00 H new ATOM 0 HG2 ARG B 23 9.062 3.585 4.038 1.00 0.00 H new ATOM 0 HG3 ARG B 23 10.512 4.490 3.649 1.00 0.00 H new ATOM 0 HD2 ARG B 23 8.709 5.886 2.156 1.00 0.00 H new ATOM 0 HD3 ARG B 23 7.642 5.304 3.418 1.00 0.00 H new ATOM 0 HE ARG B 23 9.428 6.263 5.039 1.00 0.00 H new ATOM 0 HH11 ARG B 23 8.680 7.784 1.878 1.00 0.00 H new ATOM 0 HH12 ARG B 23 9.228 9.372 2.425 1.00 0.00 H new ATOM 0 HH21 ARG B 23 10.137 8.305 5.655 1.00 0.00 H new ATOM 0 HH22 ARG B 23 10.039 9.662 4.527 1.00 0.00 H new ATOM 335 N ASP B 24 7.363 4.379 0.143 1.00 0.00 N ATOM 336 CA ASP B 24 6.422 5.368 -0.364 1.00 0.00 C ATOM 337 C ASP B 24 5.127 4.772 -0.928 1.00 0.00 C ATOM 338 O ASP B 24 4.063 5.368 -0.767 1.00 0.00 O ATOM 339 CB ASP B 24 7.123 6.181 -1.463 1.00 0.00 C ATOM 340 CG ASP B 24 8.436 6.813 -1.004 1.00 0.00 C ATOM 341 OD1 ASP B 24 8.430 7.426 0.085 1.00 0.00 O ATOM 342 OD2 ASP B 24 9.433 6.661 -1.743 1.00 0.00 O ATOM 0 H ASP B 24 8.226 4.363 -0.400 1.00 0.00 H new ATOM 0 HA ASP B 24 6.125 5.988 0.482 1.00 0.00 H new ATOM 0 HB2 ASP B 24 7.319 5.532 -2.316 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.451 6.967 -1.808 1.00 0.00 H new ATOM 347 N GLN B 25 5.220 3.636 -1.631 1.00 0.00 N ATOM 348 CA GLN B 25 4.135 3.059 -2.420 1.00 0.00 C ATOM 349 C GLN B 25 3.321 2.016 -1.644 1.00 0.00 C ATOM 350 O GLN B 25 3.712 1.604 -0.551 1.00 0.00 O ATOM 351 CB GLN B 25 4.724 2.453 -3.704 1.00 0.00 C ATOM 352 CG GLN B 25 5.867 1.470 -3.407 1.00 0.00 C ATOM 353 CD GLN B 25 6.192 0.591 -4.612 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.288 0.671 -5.159 1.00 0.00 O ATOM 355 NE2 GLN B 25 5.252 -0.261 -5.031 1.00 0.00 N ATOM 0 H GLN B 25 6.076 3.082 -1.665 1.00 0.00 H new ATOM 0 HA GLN B 25 3.435 3.857 -2.668 1.00 0.00 H new ATOM 0 HB2 GLN B 25 3.937 1.938 -4.255 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.092 3.253 -4.346 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.757 2.027 -3.114 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.592 0.839 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN B 25 4.352 -0.302 -4.554 1.00 0.00 H new ATOM 0 HE22 GLN B 25 5.435 -0.870 -5.828 1.00 0.00 H new ATOM 364 N CYS B 26 2.195 1.581 -2.236 1.00 0.00 N ATOM 365 CA CYS B 26 1.357 0.516 -1.697 1.00 0.00 C ATOM 366 C CYS B 26 2.158 -0.777 -1.552 1.00 0.00 C ATOM 367 O CYS B 26 3.093 -1.029 -2.310 1.00 0.00 O ATOM 368 CB CYS B 26 0.097 0.295 -2.553 1.00 0.00 C ATOM 369 SG CYS B 26 -1.065 -0.911 -1.836 1.00 0.00 S ATOM 0 H CYS B 26 1.844 1.969 -3.112 1.00 0.00 H new ATOM 0 HA CYS B 26 1.023 0.825 -0.707 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.416 1.248 -2.684 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.396 -0.045 -3.544 1.00 0.00 H new ATOM 374 N ALA B 27 1.782 -1.567 -0.545 1.00 0.00 N ATOM 375 CA ALA B 27 2.444 -2.800 -0.138 1.00 0.00 C ATOM 376 C ALA B 27 1.662 -4.057 -0.531 1.00 0.00 C ATOM 377 O ALA B 27 2.209 -5.158 -0.528 1.00 0.00 O ATOM 378 CB ALA B 27 2.649 -2.755 1.377 1.00 0.00 C ATOM 0 H ALA B 27 0.970 -1.352 0.033 1.00 0.00 H new ATOM 0 HA ALA B 27 3.399 -2.863 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.144 -3.669 1.705 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.267 -1.895 1.635 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.682 -2.668 1.873 1.00 0.00 H new ATOM 384 N TYR B 28 0.379 -3.895 -0.850 1.00 0.00 N ATOM 385 CA TYR B 28 -0.535 -4.964 -1.201 1.00 0.00 C ATOM 386 C TYR B 28 -0.501 -5.240 -2.698 1.00 0.00 C ATOM 387 O TYR B 28 -0.216 -6.355 -3.133 1.00 0.00 O ATOM 388 CB TYR B 28 -1.941 -4.519 -0.792 1.00 0.00 C ATOM 389 CG TYR B 28 -3.001 -5.602 -0.887 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.999 -6.677 0.020 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.992 -5.538 -1.883 1.00 0.00 C ATOM 392 CE1 TYR B 28 -3.994 -7.668 -0.060 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.972 -6.540 -1.981 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.984 -7.597 -1.056 1.00 0.00 C ATOM 395 OH TYR B 28 -5.959 -8.548 -1.125 1.00 0.00 O ATOM 0 H TYR B 28 -0.063 -2.976 -0.870 1.00 0.00 H new ATOM 0 HA TYR B 28 -0.247 -5.881 -0.688 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.907 -4.151 0.234 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -2.240 -3.681 -1.421 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -2.233 -6.742 0.778 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -4.000 -4.712 -2.578 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -3.998 -8.486 0.646 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -5.714 -6.498 -2.765 1.00 0.00 H new ATOM 0 HH TYR B 28 -6.561 -8.346 -1.871 1.00 0.00 H new ATOM 405 N CYS B 29 -0.811 -4.191 -3.462 1.00 0.00 N ATOM 406 CA CYS B 29 -1.085 -4.222 -4.891 1.00 0.00 C ATOM 407 C CYS B 29 -0.101 -3.371 -5.690 1.00 0.00 C ATOM 408 O CYS B 29 0.034 -3.567 -6.896 1.00 0.00 O ATOM 409 CB CYS B 29 -2.516 -3.737 -5.126 1.00 0.00 C ATOM 410 SG CYS B 29 -2.778 -1.952 -5.017 1.00 0.00 S ATOM 0 H CYS B 29 -0.880 -3.250 -3.076 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.967 -5.248 -5.240 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -2.834 -4.071 -6.114 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -3.167 -4.224 -4.400 1.00 0.00 H new ATOM 415 N LYS B 30 0.596 -2.448 -5.014 1.00 0.00 N ATOM 416 CA LYS B 30 1.688 -1.663 -5.592 1.00 0.00 C ATOM 417 C LYS B 30 1.171 -0.673 -6.647 1.00 0.00 C ATOM 418 O LYS B 30 1.889 -0.325 -7.584 1.00 0.00 O ATOM 419 CB LYS B 30 2.774 -2.578 -6.200 1.00 0.00 C ATOM 420 CG LYS B 30 2.977 -3.959 -5.559 1.00 0.00 C ATOM 421 CD LYS B 30 3.001 -3.909 -4.031 1.00 0.00 C ATOM 422 CE LYS B 30 3.693 -5.151 -3.468 1.00 0.00 C ATOM 423 NZ LYS B 30 2.892 -6.370 -3.682 1.00 0.00 N ATOM 0 H LYS B 30 0.412 -2.225 -4.036 1.00 0.00 H new ATOM 0 HA LYS B 30 2.137 -1.090 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS B 30 2.537 -2.728 -7.253 1.00 0.00 H new ATOM 0 HB3 LYS B 30 3.724 -2.045 -6.160 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.177 -4.625 -5.883 1.00 0.00 H new ATOM 0 HG3 LYS B 30 3.913 -4.386 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS B 30 3.523 -3.012 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.983 -3.846 -3.647 1.00 0.00 H new ATOM 0 HE2 LYS B 30 4.668 -5.269 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.871 -5.016 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 3.526 -7.181 -3.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.294 -6.543 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.290 -6.247 -4.521 1.00 0.00 H new ATOM 437 N GLU B 31 -0.080 -0.232 -6.493 1.00 0.00 N ATOM 438 CA GLU B 31 -0.817 0.513 -7.511 1.00 0.00 C ATOM 439 C GLU B 31 -0.752 2.033 -7.330 1.00 0.00 C ATOM 440 O GLU B 31 -0.687 2.540 -6.211 1.00 0.00 O ATOM 441 CB GLU B 31 -2.269 0.013 -7.531 1.00 0.00 C ATOM 442 CG GLU B 31 -3.117 0.569 -8.678 1.00 0.00 C ATOM 443 CD GLU B 31 -4.494 -0.085 -8.728 1.00 0.00 C ATOM 444 OE1 GLU B 31 -5.211 0.012 -7.710 1.00 0.00 O ATOM 445 OE2 GLU B 31 -4.815 -0.661 -9.792 1.00 0.00 O ATOM 0 H GLU B 31 -0.617 -0.387 -5.640 1.00 0.00 H new ATOM 0 HA GLU B 31 -0.339 0.325 -8.472 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -2.264 -1.075 -7.594 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -2.743 0.275 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -3.230 1.647 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -2.602 0.406 -9.624 1.00 0.00 H new ATOM 452 N LYS B 32 -0.814 2.722 -8.479 1.00 0.00 N ATOM 453 CA LYS B 32 -0.984 4.139 -8.728 1.00 0.00 C ATOM 454 C LYS B 32 -0.478 5.071 -7.621 1.00 0.00 C ATOM 455 O LYS B 32 0.693 5.449 -7.643 1.00 0.00 O ATOM 456 CB LYS B 32 -2.451 4.369 -9.108 1.00 0.00 C ATOM 457 CG LYS B 32 -2.849 3.687 -10.429 1.00 0.00 C ATOM 458 CD LYS B 32 -4.377 3.659 -10.577 1.00 0.00 C ATOM 459 CE LYS B 32 -4.833 2.936 -11.852 1.00 0.00 C ATOM 460 NZ LYS B 32 -4.498 1.498 -11.842 1.00 0.00 N ATOM 0 H LYS B 32 -0.734 2.220 -9.364 1.00 0.00 H new ATOM 0 HA LYS B 32 -0.332 4.421 -9.555 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -3.090 3.996 -8.307 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.635 5.440 -9.190 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -2.405 4.221 -11.269 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -2.456 2.671 -10.454 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -4.814 3.166 -9.708 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -4.756 4.681 -10.588 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.911 3.053 -11.966 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.368 3.407 -12.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -4.843 1.055 -12.718 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -3.466 1.382 -11.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -4.948 1.042 -11.023 1.00 0.00 H new ATOM 474 N GLY B 33 -1.352 5.489 -6.695 1.00 0.00 N ATOM 475 CA GLY B 33 -1.037 6.539 -5.738 1.00 0.00 C ATOM 476 C GLY B 33 -1.899 6.443 -4.487 1.00 0.00 C ATOM 477 O GLY B 33 -2.736 7.305 -4.228 1.00 0.00 O ATOM 0 H GLY B 33 -2.292 5.105 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY B 33 0.015 6.473 -5.460 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -1.183 7.513 -6.206 1.00 0.00 H new ATOM 481 N HIS B 34 -1.651 5.394 -3.705 1.00 0.00 N ATOM 482 CA HIS B 34 -2.179 5.198 -2.363 1.00 0.00 C ATOM 483 C HIS B 34 -1.191 4.309 -1.600 1.00 0.00 C ATOM 484 O HIS B 34 -0.090 4.044 -2.086 1.00 0.00 O ATOM 485 CB HIS B 34 -3.612 4.640 -2.412 1.00 0.00 C ATOM 486 CG HIS B 34 -3.712 3.253 -2.985 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.328 2.929 -4.171 1.00 0.00 N ATOM 488 CD2 HIS B 34 -3.260 2.055 -2.516 1.00 0.00 C ATOM 489 CE1 HIS B 34 -4.203 1.595 -4.303 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.549 0.961 -3.314 1.00 0.00 N ATOM 0 H HIS B 34 -1.050 4.626 -4.006 1.00 0.00 H new ATOM 0 HA HIS B 34 -2.268 6.144 -1.829 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -4.023 4.635 -1.402 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -4.232 5.312 -3.005 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.787 3.569 -4.819 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.715 1.966 -1.588 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.605 1.065 -5.154 1.00 0.00 H new ATOM 498 N TRP B 35 -1.580 3.858 -0.405 1.00 0.00 N ATOM 499 CA TRP B 35 -0.739 3.083 0.494 1.00 0.00 C ATOM 500 C TRP B 35 -1.459 1.821 0.962 1.00 0.00 C ATOM 501 O TRP B 35 -2.656 1.677 0.739 1.00 0.00 O ATOM 502 CB TRP B 35 -0.328 4.000 1.646 1.00 0.00 C ATOM 503 CG TRP B 35 1.115 3.968 2.015 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.159 3.854 1.165 1.00 0.00 C ATOM 505 CD2 TRP B 35 1.691 4.083 3.338 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.339 3.836 1.873 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.105 3.979 3.220 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.161 4.306 4.623 1.00 0.00 C ATOM 509 CZ2 TRP B 35 3.948 4.033 4.330 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.002 4.415 5.737 1.00 0.00 C ATOM 511 CH2 TRP B 35 3.389 4.250 5.598 1.00 0.00 C ATOM 0 H TRP B 35 -2.514 4.029 -0.032 1.00 0.00 H new ATOM 0 HA TRP B 35 0.159 2.731 -0.014 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -0.594 5.024 1.384 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.915 3.733 2.525 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.079 3.787 0.090 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.263 3.731 1.454 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.092 4.394 4.751 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.015 3.910 4.215 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.581 4.627 6.709 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.027 4.290 6.469 1.00 0.00 H new ATOM 522 N ALA B 36 -0.742 0.892 1.605 1.00 0.00 N ATOM 523 CA ALA B 36 -1.319 -0.386 2.018 1.00 0.00 C ATOM 524 C ALA B 36 -2.392 -0.116 3.063 1.00 0.00 C ATOM 525 O ALA B 36 -3.479 -0.691 3.041 1.00 0.00 O ATOM 526 CB ALA B 36 -0.229 -1.309 2.555 1.00 0.00 C ATOM 0 H ALA B 36 0.242 1.005 1.850 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.775 -0.890 1.166 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.672 -2.257 2.859 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.512 -1.488 1.776 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.253 -0.842 3.414 1.00 0.00 H new ATOM 532 N LYS B 37 -2.057 0.841 3.928 1.00 0.00 N ATOM 533 CA LYS B 37 -2.887 1.500 4.906 1.00 0.00 C ATOM 534 C LYS B 37 -4.231 1.963 4.320 1.00 0.00 C ATOM 535 O LYS B 37 -5.238 1.969 5.025 1.00 0.00 O ATOM 536 CB LYS B 37 -2.043 2.681 5.385 1.00 0.00 C ATOM 537 CG LYS B 37 -2.618 3.473 6.547 1.00 0.00 C ATOM 538 CD LYS B 37 -2.971 2.642 7.792 1.00 0.00 C ATOM 539 CE LYS B 37 -1.797 1.786 8.293 1.00 0.00 C ATOM 540 NZ LYS B 37 -2.135 1.061 9.530 1.00 0.00 N ATOM 0 H LYS B 37 -1.103 1.201 3.954 1.00 0.00 H new ATOM 0 HA LYS B 37 -3.163 0.828 5.719 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -1.060 2.308 5.674 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -1.892 3.360 4.546 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -1.900 4.241 6.834 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -3.516 3.988 6.206 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.292 3.311 8.590 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -3.815 1.992 7.561 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -1.512 1.072 7.520 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -0.932 2.425 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -1.442 0.302 9.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -2.117 1.720 10.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -3.086 0.648 9.442 1.00 0.00 H new ATOM 554 N ASP B 38 -4.227 2.368 3.042 1.00 0.00 N ATOM 555 CA ASP B 38 -5.338 2.993 2.333 1.00 0.00 C ATOM 556 C ASP B 38 -5.817 2.149 1.140 1.00 0.00 C ATOM 557 O ASP B 38 -6.592 2.640 0.320 1.00 0.00 O ATOM 558 CB ASP B 38 -4.836 4.351 1.811 1.00 0.00 C ATOM 559 CG ASP B 38 -5.951 5.247 1.276 1.00 0.00 C ATOM 560 OD1 ASP B 38 -7.026 5.274 1.916 1.00 0.00 O ATOM 561 OD2 ASP B 38 -5.710 5.890 0.232 1.00 0.00 O ATOM 0 H ASP B 38 -3.403 2.260 2.450 1.00 0.00 H new ATOM 0 HA ASP B 38 -6.181 3.096 3.016 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -4.317 4.871 2.616 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -4.106 4.180 1.019 1.00 0.00 H new ATOM 566 N CYS B 39 -5.361 0.899 1.002 1.00 0.00 N ATOM 567 CA CYS B 39 -5.582 0.137 -0.217 1.00 0.00 C ATOM 568 C CYS B 39 -7.057 -0.245 -0.392 1.00 0.00 C ATOM 569 O CYS B 39 -7.613 -0.885 0.499 1.00 0.00 O ATOM 570 CB CYS B 39 -4.707 -1.110 -0.192 1.00 0.00 C ATOM 571 SG CYS B 39 -4.655 -2.025 -1.749 1.00 0.00 S ATOM 0 H CYS B 39 -4.838 0.400 1.722 1.00 0.00 H new ATOM 0 HA CYS B 39 -5.311 0.762 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.692 -0.820 0.078 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -5.067 -1.775 0.593 1.00 0.00 H new ATOM 576 N PRO B 40 -7.695 0.122 -1.518 1.00 0.00 N ATOM 577 CA PRO B 40 -9.067 -0.242 -1.839 1.00 0.00 C ATOM 578 C PRO B 40 -9.159 -1.631 -2.487 1.00 0.00 C ATOM 579 O PRO B 40 -10.243 -2.210 -2.520 1.00 0.00 O ATOM 580 CB PRO B 40 -9.529 0.840 -2.815 1.00 0.00 C ATOM 581 CG PRO B 40 -8.258 1.134 -3.610 1.00 0.00 C ATOM 582 CD PRO B 40 -7.150 0.963 -2.572 1.00 0.00 C ATOM 0 HA PRO B 40 -9.686 -0.299 -0.944 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -10.337 0.489 -3.457 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.896 1.725 -2.295 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -8.137 0.444 -4.445 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -8.268 2.141 -4.027 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -6.269 0.503 -3.018 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.839 1.929 -2.175 1.00 0.00 H new ATOM 590 N LYS B 41 -8.044 -2.164 -3.009 1.00 0.00 N ATOM 591 CA LYS B 41 -7.981 -3.486 -3.621 1.00 0.00 C ATOM 592 C LYS B 41 -8.124 -4.520 -2.506 1.00 0.00 C ATOM 593 O LYS B 41 -8.831 -5.514 -2.653 1.00 0.00 O ATOM 594 CB LYS B 41 -6.679 -3.646 -4.424 1.00 0.00 C ATOM 595 CG LYS B 41 -6.499 -2.507 -5.444 1.00 0.00 C ATOM 596 CD LYS B 41 -6.590 -2.946 -6.907 1.00 0.00 C ATOM 597 CE LYS B 41 -5.238 -3.413 -7.452 1.00 0.00 C ATOM 598 NZ LYS B 41 -5.221 -3.429 -8.923 1.00 0.00 N ATOM 0 H LYS B 41 -7.149 -1.674 -3.014 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.790 -3.629 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.829 -3.662 -3.741 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.687 -4.604 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -7.257 -1.746 -5.258 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -5.529 -2.038 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -7.316 -3.754 -6.998 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -6.958 -2.117 -7.512 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -4.451 -2.754 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -5.019 -4.412 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.413 -3.994 -9.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -6.105 -3.848 -9.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -5.133 -2.456 -9.280 1.00 0.00 H new ATOM 612 N LYS B 42 -7.471 -4.239 -1.374 1.00 0.00 N ATOM 613 CA LYS B 42 -7.659 -4.932 -0.125 1.00 0.00 C ATOM 614 C LYS B 42 -8.926 -4.334 0.501 1.00 0.00 C ATOM 615 O LYS B 42 -9.233 -3.168 0.260 1.00 0.00 O ATOM 616 CB LYS B 42 -6.437 -4.677 0.770 1.00 0.00 C ATOM 617 CG LYS B 42 -6.454 -5.522 2.050 1.00 0.00 C ATOM 618 CD LYS B 42 -5.200 -5.397 2.927 1.00 0.00 C ATOM 619 CE LYS B 42 -4.788 -3.950 3.219 1.00 0.00 C ATOM 620 NZ LYS B 42 -3.853 -3.441 2.202 1.00 0.00 N ATOM 0 H LYS B 42 -6.776 -3.495 -1.315 1.00 0.00 H new ATOM 0 HA LYS B 42 -7.763 -6.009 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -5.529 -4.894 0.208 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.402 -3.621 1.037 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -7.323 -5.238 2.643 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -6.584 -6.569 1.775 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -5.376 -5.912 3.871 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -4.372 -5.908 2.435 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -5.675 -3.317 3.249 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -4.323 -3.894 4.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -3.765 -2.409 2.297 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -2.921 -3.882 2.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -4.212 -3.672 1.254 1.00 0.00 H new ATOM 634 N PRO B 43 -9.643 -5.077 1.351 1.00 0.00 N ATOM 635 CA PRO B 43 -10.734 -4.578 2.184 1.00 0.00 C ATOM 636 C PRO B 43 -10.354 -3.473 3.194 1.00 0.00 C ATOM 637 O PRO B 43 -11.106 -3.261 4.143 1.00 0.00 O ATOM 638 CB PRO B 43 -11.225 -5.821 2.935 1.00 0.00 C ATOM 639 CG PRO B 43 -10.911 -6.970 1.985 1.00 0.00 C ATOM 640 CD PRO B 43 -9.584 -6.523 1.386 1.00 0.00 C ATOM 0 HA PRO B 43 -11.478 -4.095 1.550 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -10.712 -5.940 3.889 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -12.292 -5.762 3.152 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -10.823 -7.922 2.509 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -11.682 -7.094 1.225 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -8.745 -6.867 1.991 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -9.446 -6.934 0.386 1.00 0.00 H new ATOM 648 N ARG B 44 -9.207 -2.790 3.022 1.00 0.00 N ATOM 649 CA ARG B 44 -8.619 -1.780 3.899 1.00 0.00 C ATOM 650 C ARG B 44 -8.056 -2.402 5.180 1.00 0.00 C ATOM 651 O ARG B 44 -6.888 -2.194 5.501 1.00 0.00 O ATOM 652 CB ARG B 44 -9.572 -0.606 4.168 1.00 0.00 C ATOM 653 CG ARG B 44 -10.005 0.062 2.854 1.00 0.00 C ATOM 654 CD ARG B 44 -10.855 1.312 3.106 1.00 0.00 C ATOM 655 NE ARG B 44 -10.091 2.372 3.780 1.00 0.00 N ATOM 656 CZ ARG B 44 -9.222 3.210 3.189 1.00 0.00 C ATOM 657 NH1 ARG B 44 -8.964 3.133 1.877 1.00 0.00 N ATOM 658 NH2 ARG B 44 -8.594 4.141 3.917 1.00 0.00 N ATOM 0 H ARG B 44 -8.627 -2.949 2.198 1.00 0.00 H new ATOM 0 HA ARG B 44 -7.771 -1.349 3.367 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -10.451 -0.962 4.706 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -9.081 0.127 4.808 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -9.122 0.333 2.276 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -10.573 -0.649 2.254 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -11.237 1.688 2.157 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -11.720 1.046 3.714 1.00 0.00 H new ATOM 0 HE ARG B 44 -10.233 2.481 4.784 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -9.431 2.428 1.306 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -8.301 3.779 1.449 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -8.775 4.214 4.918 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -7.934 4.778 3.471 1.00 0.00 H new ATOM 672 N GLY B 45 -8.875 -3.176 5.899 1.00 0.00 N ATOM 673 CA GLY B 45 -8.475 -3.898 7.093 1.00 0.00 C ATOM 674 C GLY B 45 -8.226 -2.975 8.288 1.00 0.00 C ATOM 675 O GLY B 45 -7.158 -3.062 8.893 1.00 0.00 O ATOM 0 H GLY B 45 -9.855 -3.316 5.655 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -9.250 -4.620 7.352 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -7.568 -4.465 6.883 1.00 0.00 H new ATOM 679 N PRO B 46 -9.190 -2.118 8.670 1.00 0.00 N ATOM 680 CA PRO B 46 -9.107 -1.357 9.904 1.00 0.00 C ATOM 681 C PRO B 46 -9.170 -2.319 11.093 1.00 0.00 C ATOM 682 O PRO B 46 -9.998 -3.227 11.119 1.00 0.00 O ATOM 683 CB PRO B 46 -10.303 -0.402 9.883 1.00 0.00 C ATOM 684 CG PRO B 46 -11.331 -1.152 9.038 1.00 0.00 C ATOM 685 CD PRO B 46 -10.459 -1.865 8.004 1.00 0.00 C ATOM 0 HA PRO B 46 -8.176 -0.798 9.996 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -10.676 -0.201 10.887 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -10.043 0.560 9.441 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -11.909 -1.857 9.635 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -12.043 -0.473 8.569 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -10.922 -2.796 7.676 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -10.320 -1.248 7.116 1.00 0.00 H new ATOM 693 N ARG B 47 -8.281 -2.126 12.072 1.00 0.00 N ATOM 694 CA ARG B 47 -8.197 -2.966 13.260 1.00 0.00 C ATOM 695 C ARG B 47 -9.227 -2.474 14.278 1.00 0.00 C ATOM 696 O ARG B 47 -8.883 -1.954 15.338 1.00 0.00 O ATOM 697 CB ARG B 47 -6.755 -2.960 13.786 1.00 0.00 C ATOM 698 CG ARG B 47 -5.826 -3.606 12.747 1.00 0.00 C ATOM 699 CD ARG B 47 -4.363 -3.542 13.186 1.00 0.00 C ATOM 700 NE ARG B 47 -3.495 -4.137 12.160 1.00 0.00 N ATOM 701 CZ ARG B 47 -2.172 -3.932 12.057 1.00 0.00 C ATOM 702 NH1 ARG B 47 -1.523 -3.162 12.939 1.00 0.00 N ATOM 703 NH2 ARG B 47 -1.487 -4.499 11.056 1.00 0.00 N ATOM 0 H ARG B 47 -7.594 -1.372 12.057 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.437 -4.006 13.037 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -6.435 -1.938 13.989 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -6.698 -3.505 14.728 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -6.116 -4.646 12.595 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -5.942 -3.099 11.789 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -4.074 -2.506 13.360 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -4.236 -4.071 14.130 1.00 0.00 H new ATOM 0 HE ARG B 47 -3.931 -4.753 11.474 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -2.034 -2.721 13.704 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -0.518 -3.017 12.846 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -1.970 -5.084 10.375 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -0.482 -4.345 10.975 1.00 0.00 H new ATOM 717 N GLY B 48 -10.502 -2.624 13.907 1.00 0.00 N ATOM 718 CA GLY B 48 -11.659 -2.065 14.583 1.00 0.00 C ATOM 719 C GLY B 48 -12.829 -2.032 13.592 1.00 0.00 C ATOM 720 O GLY B 48 -12.583 -2.218 12.400 1.00 0.00 O ATOM 0 H GLY B 48 -10.760 -3.168 13.084 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -11.917 -2.667 15.454 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -11.439 -1.060 14.944 1.00 0.00 H new ATOM 724 N PRO B 49 -14.077 -1.803 14.065 1.00 0.00 N ATOM 725 CA PRO B 49 -15.320 -1.670 13.321 1.00 0.00 C ATOM 726 C PRO B 49 -15.295 -2.464 12.030 1.00 0.00 C ATOM 727 O PRO B 49 -15.497 -1.978 10.920 1.00 0.00 O ATOM 728 CB PRO B 49 -15.565 -0.170 13.332 1.00 0.00 C ATOM 729 CG PRO B 49 -15.155 0.133 14.796 1.00 0.00 C ATOM 730 CD PRO B 49 -14.371 -1.109 15.278 1.00 0.00 C ATOM 0 HA PRO B 49 -16.212 -2.137 13.739 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -14.952 0.362 12.605 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -16.603 0.088 13.124 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -14.539 1.031 14.852 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -16.032 0.309 15.419 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -13.463 -0.829 15.812 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -14.964 -1.721 15.958 1.00 0.00 H new ATOM 738 N ARG B 50 -15.003 -3.731 12.330 1.00 0.00 N ATOM 739 CA ARG B 50 -14.635 -4.890 11.565 1.00 0.00 C ATOM 740 C ARG B 50 -13.604 -4.645 10.446 1.00 0.00 C ATOM 741 O ARG B 50 -13.711 -3.677 9.697 1.00 0.00 O ATOM 742 CB ARG B 50 -15.874 -5.662 11.082 1.00 0.00 C ATOM 743 CG ARG B 50 -16.690 -4.901 10.027 1.00 0.00 C ATOM 744 CD ARG B 50 -17.785 -5.787 9.423 1.00 0.00 C ATOM 745 NE ARG B 50 -18.331 -5.181 8.201 1.00 0.00 N ATOM 746 CZ ARG B 50 -19.312 -5.703 7.448 1.00 0.00 C ATOM 747 NH1 ARG B 50 -19.978 -6.795 7.848 1.00 0.00 N ATOM 748 NH2 ARG B 50 -19.617 -5.126 6.278 1.00 0.00 N ATOM 0 H ARG B 50 -15.032 -3.995 13.315 1.00 0.00 H new ATOM 0 HA ARG B 50 -14.094 -5.528 12.264 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -15.558 -6.619 10.666 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -16.513 -5.881 11.937 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -17.142 -4.019 10.481 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -16.027 -4.549 9.237 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -17.378 -6.772 9.195 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -18.584 -5.933 10.150 1.00 0.00 H new ATOM 0 HE ARG B 50 -17.932 -4.292 7.900 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -19.742 -7.240 8.735 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -20.721 -7.181 7.266 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -19.106 -4.299 5.968 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -20.360 -5.513 5.697 1.00 0.00 H new ATOM 762 N PRO B 51 -12.612 -5.540 10.292 1.00 0.00 N ATOM 763 CA PRO B 51 -11.609 -5.459 9.238 1.00 0.00 C ATOM 764 C PRO B 51 -12.196 -5.768 7.855 1.00 0.00 C ATOM 765 O PRO B 51 -11.697 -5.255 6.857 1.00 0.00 O ATOM 766 CB PRO B 51 -10.530 -6.471 9.627 1.00 0.00 C ATOM 767 CG PRO B 51 -11.315 -7.534 10.394 1.00 0.00 C ATOM 768 CD PRO B 51 -12.376 -6.710 11.124 1.00 0.00 C ATOM 0 HA PRO B 51 -11.207 -4.449 9.154 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -10.034 -6.889 8.751 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -9.755 -6.017 10.245 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -11.763 -8.268 9.724 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -10.680 -8.083 11.089 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -13.292 -7.285 11.259 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -12.031 -6.421 12.117 1.00 0.00 H new ATOM 776 N GLN B 52 -13.242 -6.607 7.803 1.00 0.00 N ATOM 777 CA GLN B 52 -13.908 -7.069 6.589 1.00 0.00 C ATOM 778 C GLN B 52 -13.039 -8.065 5.815 1.00 0.00 C ATOM 779 O GLN B 52 -11.901 -8.344 6.191 1.00 0.00 O ATOM 780 CB GLN B 52 -14.388 -5.903 5.705 1.00 0.00 C ATOM 781 CG GLN B 52 -15.207 -4.895 6.517 1.00 0.00 C ATOM 782 CD GLN B 52 -15.914 -3.869 5.638 1.00 0.00 C ATOM 783 OE1 GLN B 52 -17.136 -3.739 5.697 1.00 0.00 O ATOM 784 NE2 GLN B 52 -15.151 -3.131 4.830 1.00 0.00 N ATOM 0 H GLN B 52 -13.661 -6.996 8.648 1.00 0.00 H new ATOM 0 HA GLN B 52 -14.806 -7.603 6.901 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -13.528 -5.403 5.260 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -14.992 -6.290 4.884 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -15.947 -5.430 7.112 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -14.550 -4.378 7.216 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -14.141 -3.272 4.813 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -15.578 -2.426 4.229 1.00 0.00 H new ATOM 793 N THR B 53 -13.608 -8.624 4.742 1.00 0.00 N ATOM 794 CA THR B 53 -12.984 -9.626 3.894 1.00 0.00 C ATOM 795 C THR B 53 -13.556 -9.485 2.482 1.00 0.00 C ATOM 796 O THR B 53 -14.744 -9.102 2.381 1.00 0.00 O ATOM 797 CB THR B 53 -13.194 -11.028 4.494 1.00 0.00 C ATOM 798 OG1 THR B 53 -12.478 -11.989 3.746 1.00 0.00 O ATOM 799 CG2 THR B 53 -14.669 -11.441 4.567 1.00 0.00 C ATOM 800 OXT THR B 53 -12.794 -9.743 1.525 1.00 0.00 O ATOM 0 H THR B 53 -14.549 -8.377 4.435 1.00 0.00 H new ATOM 0 HA THR B 53 -11.906 -9.478 3.836 1.00 0.00 H new ATOM 0 HB THR B 53 -12.820 -10.982 5.517 1.00 0.00 H new ATOM 0 HG1 THR B 53 -12.617 -12.877 4.136 1.00 0.00 H new ATOM 0 HG21 THR B 53 -14.747 -12.439 4.999 1.00 0.00 H new ATOM 0 HG22 THR B 53 -15.215 -10.732 5.190 1.00 0.00 H new ATOM 0 HG23 THR B 53 -15.096 -11.446 3.564 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -3.028 -0.973 -2.999 1.00 0.00 ZN