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 Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 59:sc= 0.13 USER MOD Single : B 20 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.41) USER MOD Single : B 25 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.036) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 167:sc= 0.493 (180deg=0.214) USER MOD Single : B 32 LYS NZ :NH3+ 165:sc= 0.701 (180deg=0.539) USER MOD Single : B 37 LYS NZ :NH3+ 153:sc= 1.24 (180deg=1.12) USER MOD Single : B 41 LYS NZ :NH3+ -174:sc= 1.14 (180deg=1.08) USER MOD Single : B 42 LYS NZ :NH3+ 168:sc= 0.855 (180deg=0.568) USER MOD Single : B 52 GLN : amide:sc= -0.544 K(o=-0.54,f=-2.6!) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.188 -7.772 0.214 1.00 0.00 O ATOM 2 C5' DA A 1 1.492 -7.634 0.739 1.00 0.00 C ATOM 3 C4' DA A 1 1.437 -7.259 2.225 1.00 0.00 C ATOM 4 O4' DA A 1 2.729 -7.402 2.799 1.00 0.00 O ATOM 5 C3' DA A 1 0.976 -5.815 2.457 1.00 0.00 C ATOM 6 O3' DA A 1 0.295 -5.717 3.701 1.00 0.00 O ATOM 7 C2' DA A 1 2.335 -5.155 2.535 1.00 0.00 C ATOM 8 C1' DA A 1 3.078 -6.169 3.392 1.00 0.00 C ATOM 9 N9 DA A 1 4.544 -5.990 3.409 1.00 0.00 N ATOM 10 C8 DA A 1 5.366 -5.485 2.435 1.00 0.00 C ATOM 11 N7 DA A 1 6.633 -5.496 2.744 1.00 0.00 N ATOM 12 C5 DA A 1 6.655 -6.038 4.022 1.00 0.00 C ATOM 13 C6 DA A 1 7.696 -6.303 4.937 1.00 0.00 C ATOM 14 N6 DA A 1 8.982 -6.051 4.667 1.00 0.00 N ATOM 15 N1 DA A 1 7.378 -6.832 6.134 1.00 0.00 N ATOM 16 C2 DA A 1 6.099 -7.073 6.414 1.00 0.00 C ATOM 17 N3 DA A 1 5.031 -6.864 5.646 1.00 0.00 N ATOM 18 C4 DA A 1 5.383 -6.335 4.443 1.00 0.00 C ATOM 0 H5' DA A 1 2.034 -6.868 0.185 1.00 0.00 H new ATOM 0 H5'' DA A 1 2.041 -8.567 0.614 1.00 0.00 H new ATOM 0 H4' DA A 1 0.713 -7.929 2.690 1.00 0.00 H new ATOM 0 H3' DA A 1 0.290 -5.399 1.719 1.00 0.00 H new ATOM 0 H2' DA A 1 2.792 -5.026 1.554 1.00 0.00 H new ATOM 0 H2'' DA A 1 2.293 -4.170 2.999 1.00 0.00 H new ATOM 0 HO5' DA A 1 0.241 -8.010 -0.735 1.00 0.00 H new ATOM 0 H1' DA A 1 2.800 -6.077 4.442 1.00 0.00 H new ATOM 0 H8 DA A 1 4.996 -5.110 1.492 1.00 0.00 H new ATOM 0 H61 DA A 1 9.699 -6.260 5.361 1.00 0.00 H new ATOM 0 H62 DA A 1 9.245 -5.650 3.767 1.00 0.00 H new ATOM 0 H2 DA A 1 5.902 -7.492 7.390 1.00 0.00 H new ATOM 31 P DC A 2 -0.865 -4.627 3.980 1.00 0.00 P ATOM 32 OP1 DC A 2 -1.461 -4.935 5.299 1.00 0.00 O ATOM 33 OP2 DC A 2 -1.754 -4.606 2.798 1.00 0.00 O ATOM 34 O5' DC A 2 -0.151 -3.184 4.072 1.00 0.00 O ATOM 35 C5' DC A 2 0.105 -2.516 5.298 1.00 0.00 C ATOM 36 C4' DC A 2 1.325 -3.090 6.024 1.00 0.00 C ATOM 37 O4' DC A 2 2.407 -3.180 5.123 1.00 0.00 O ATOM 38 C3' DC A 2 1.824 -2.161 7.141 1.00 0.00 C ATOM 39 O3' DC A 2 1.466 -2.626 8.428 1.00 0.00 O ATOM 40 C2' DC A 2 3.343 -2.174 6.953 1.00 0.00 C ATOM 41 C1' DC A 2 3.579 -3.239 5.897 1.00 0.00 C ATOM 42 N1 DC A 2 4.819 -2.934 5.139 1.00 0.00 N ATOM 43 C2 DC A 2 6.045 -3.289 5.704 1.00 0.00 C ATOM 44 O2 DC A 2 6.099 -3.836 6.803 1.00 0.00 O ATOM 45 N3 DC A 2 7.185 -3.022 5.003 1.00 0.00 N ATOM 46 C4 DC A 2 7.138 -2.434 3.800 1.00 0.00 C ATOM 47 N4 DC A 2 8.285 -2.210 3.150 1.00 0.00 N ATOM 48 C5 DC A 2 5.888 -2.039 3.214 1.00 0.00 C ATOM 49 C6 DC A 2 4.767 -2.292 3.928 1.00 0.00 C ATOM 0 H5' DC A 2 -0.770 -2.595 5.943 1.00 0.00 H new ATOM 0 H5'' DC A 2 0.264 -1.455 5.106 1.00 0.00 H new ATOM 0 H4' DC A 2 1.015 -4.053 6.429 1.00 0.00 H new ATOM 0 H3' DC A 2 1.386 -1.165 7.078 1.00 0.00 H new ATOM 0 H2' DC A 2 3.712 -1.202 6.627 1.00 0.00 H new ATOM 0 H2'' DC A 2 3.857 -2.415 7.883 1.00 0.00 H new ATOM 0 H1' DC A 2 3.742 -4.245 6.284 1.00 0.00 H new ATOM 0 H41 DC A 2 8.273 -1.764 2.233 1.00 0.00 H new ATOM 0 H42 DC A 2 9.172 -2.486 3.571 1.00 0.00 H new ATOM 0 H5 DC A 2 5.845 -1.561 2.246 1.00 0.00 H new ATOM 0 H6 DC A 2 3.810 -1.982 3.536 1.00 0.00 H new ATOM 61 P DG A 3 1.397 -1.622 9.695 1.00 0.00 P ATOM 62 OP1 DG A 3 1.379 -2.439 10.927 1.00 0.00 O ATOM 63 OP2 DG A 3 0.303 -0.652 9.446 1.00 0.00 O ATOM 64 O5' DG A 3 2.805 -0.823 9.642 1.00 0.00 O ATOM 65 C5' DG A 3 2.835 0.591 9.610 1.00 0.00 C ATOM 66 C4' DG A 3 4.238 1.153 9.333 1.00 0.00 C ATOM 67 O4' DG A 3 4.665 0.679 8.060 1.00 0.00 O ATOM 68 C3' DG A 3 4.106 2.681 9.248 1.00 0.00 C ATOM 69 O3' DG A 3 5.148 3.466 9.823 1.00 0.00 O ATOM 70 C2' DG A 3 3.884 2.890 7.763 1.00 0.00 C ATOM 71 C1' DG A 3 4.674 1.740 7.121 1.00 0.00 C ATOM 72 N9 DG A 3 4.115 1.321 5.810 1.00 0.00 N ATOM 73 C8 DG A 3 2.809 1.061 5.485 1.00 0.00 C ATOM 74 N7 DG A 3 2.597 0.873 4.214 1.00 0.00 N ATOM 75 C5 DG A 3 3.858 0.988 3.646 1.00 0.00 C ATOM 76 C6 DG A 3 4.250 0.963 2.272 1.00 0.00 C ATOM 77 O6 DG A 3 3.526 0.890 1.281 1.00 0.00 O ATOM 78 N1 DG A 3 5.629 1.072 2.112 1.00 0.00 N ATOM 79 C2 DG A 3 6.529 1.173 3.159 1.00 0.00 C ATOM 80 N2 DG A 3 7.826 1.192 2.838 1.00 0.00 N ATOM 81 N3 DG A 3 6.157 1.251 4.449 1.00 0.00 N ATOM 82 C4 DG A 3 4.809 1.172 4.626 1.00 0.00 C ATOM 0 H5' DG A 3 2.475 0.979 10.563 1.00 0.00 H new ATOM 0 H5'' DG A 3 2.148 0.947 8.842 1.00 0.00 H new ATOM 0 H4' DG A 3 4.943 0.854 10.109 1.00 0.00 H new ATOM 0 H3' DG A 3 3.296 3.051 9.877 1.00 0.00 H new ATOM 0 H2' DG A 3 2.826 2.845 7.504 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.251 3.862 7.435 1.00 0.00 H new ATOM 0 H1' DG A 3 5.691 2.060 6.896 1.00 0.00 H new ATOM 0 H8 DG A 3 2.021 1.016 6.222 1.00 0.00 H new ATOM 0 H1 DG A 3 6.000 1.078 1.162 1.00 0.00 H new ATOM 0 H21 DG A 3 8.532 1.265 3.571 1.00 0.00 H new ATOM 0 H22 DG A 3 8.110 1.133 1.860 1.00 0.00 H new ATOM 94 P DC A 4 6.669 3.614 9.272 1.00 0.00 P ATOM 95 OP1 DC A 4 7.168 2.276 8.884 1.00 0.00 O ATOM 96 OP2 DC A 4 7.410 4.386 10.295 1.00 0.00 O ATOM 97 O5' DC A 4 6.583 4.549 7.942 1.00 0.00 O ATOM 98 C5' DC A 4 7.681 4.622 7.047 1.00 0.00 C ATOM 99 C4' DC A 4 7.694 5.840 6.106 1.00 0.00 C ATOM 100 O4' DC A 4 6.689 5.820 5.108 1.00 0.00 O ATOM 101 C3' DC A 4 7.585 7.209 6.796 1.00 0.00 C ATOM 102 O3' DC A 4 8.776 7.972 6.699 1.00 0.00 O ATOM 103 C2' DC A 4 6.519 7.924 5.963 1.00 0.00 C ATOM 104 C1' DC A 4 6.602 7.151 4.646 1.00 0.00 C ATOM 105 N1 DC A 4 5.487 7.412 3.684 1.00 0.00 N ATOM 106 C2 DC A 4 5.804 7.815 2.378 1.00 0.00 C ATOM 107 O2 DC A 4 6.959 8.074 2.044 1.00 0.00 O ATOM 108 N3 DC A 4 4.798 7.909 1.461 1.00 0.00 N ATOM 109 C4 DC A 4 3.528 7.653 1.792 1.00 0.00 C ATOM 110 N4 DC A 4 2.596 7.684 0.833 1.00 0.00 N ATOM 111 C5 DC A 4 3.163 7.350 3.147 1.00 0.00 C ATOM 112 C6 DC A 4 4.172 7.246 4.048 1.00 0.00 C ATOM 0 H5' DC A 4 7.692 3.717 6.440 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.602 4.626 7.630 1.00 0.00 H new ATOM 0 H4' DC A 4 8.683 5.733 5.660 1.00 0.00 H new ATOM 0 H3' DC A 4 7.371 7.094 7.859 1.00 0.00 H new ATOM 0 H2' DC A 4 5.530 7.859 6.417 1.00 0.00 H new ATOM 0 H2'' DC A 4 6.741 8.983 5.833 1.00 0.00 H new ATOM 0 H1' DC A 4 7.445 7.451 4.023 1.00 0.00 H new ATOM 0 H41 DC A 4 1.621 7.492 1.063 1.00 0.00 H new ATOM 0 H42 DC A 4 2.860 7.900 -0.128 1.00 0.00 H new ATOM 0 H5 DC A 4 2.132 7.211 3.436 1.00 0.00 H new ATOM 0 H6 DC A 4 3.936 7.027 5.079 1.00 0.00 H new ATOM 124 P DC A 5 10.192 7.499 7.311 1.00 0.00 P ATOM 125 OP1 DC A 5 10.993 6.933 6.201 1.00 0.00 O ATOM 126 OP2 DC A 5 9.936 6.673 8.510 1.00 0.00 O ATOM 127 O5' DC A 5 10.898 8.866 7.811 1.00 0.00 O ATOM 128 C5' DC A 5 10.946 10.043 7.021 1.00 0.00 C ATOM 129 C4' DC A 5 9.958 11.092 7.556 1.00 0.00 C ATOM 130 O4' DC A 5 8.629 10.617 7.469 1.00 0.00 O ATOM 131 C3' DC A 5 10.208 11.458 9.020 1.00 0.00 C ATOM 132 O3' DC A 5 11.108 12.539 9.143 1.00 0.00 O ATOM 133 C2' DC A 5 8.814 11.843 9.500 1.00 0.00 C ATOM 134 C1' DC A 5 7.867 11.069 8.573 1.00 0.00 C ATOM 135 N1 DC A 5 7.228 9.880 9.214 1.00 0.00 N ATOM 136 C2 DC A 5 5.851 9.681 9.055 1.00 0.00 C ATOM 137 O2 DC A 5 5.154 10.489 8.444 1.00 0.00 O ATOM 138 N3 DC A 5 5.285 8.557 9.585 1.00 0.00 N ATOM 139 C4 DC A 5 6.023 7.651 10.243 1.00 0.00 C ATOM 140 N4 DC A 5 5.429 6.543 10.696 1.00 0.00 N ATOM 141 C5 DC A 5 7.429 7.846 10.447 1.00 0.00 C ATOM 142 C6 DC A 5 7.979 8.963 9.914 1.00 0.00 C ATOM 0 H5' DC A 5 10.705 9.803 5.985 1.00 0.00 H new ATOM 0 H5'' DC A 5 11.957 10.451 7.027 1.00 0.00 H new ATOM 0 H4' DC A 5 10.110 11.975 6.935 1.00 0.00 H new ATOM 0 H3' DC A 5 10.664 10.652 9.594 1.00 0.00 H new ATOM 0 H2' DC A 5 8.662 11.567 10.544 1.00 0.00 H new ATOM 0 H2'' DC A 5 8.651 12.918 9.427 1.00 0.00 H new ATOM 0 HO3' DC A 5 11.243 12.746 10.091 1.00 0.00 H new ATOM 0 H1' DC A 5 7.060 11.746 8.292 1.00 0.00 H new ATOM 0 H41 DC A 5 5.973 5.842 11.199 1.00 0.00 H new ATOM 0 H42 DC A 5 4.432 6.398 10.539 1.00 0.00 H new ATOM 0 H5 DC A 5 8.023 7.134 11.001 1.00 0.00 H new ATOM 0 H6 DC A 5 9.037 9.139 10.042 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 20.166 -8.826 -10.552 1.00 0.00 N ATOM 157 CA GLY B 14 21.246 -8.428 -9.631 1.00 0.00 C ATOM 158 C GLY B 14 21.385 -6.910 -9.507 1.00 0.00 C ATOM 159 O GLY B 14 22.505 -6.408 -9.433 1.00 0.00 O ATOM 0 HA2 GLY B 14 21.053 -8.853 -8.646 1.00 0.00 H new ATOM 0 HA3 GLY B 14 22.189 -8.848 -9.980 1.00 0.00 H new ATOM 165 N GLU B 15 20.259 -6.184 -9.499 1.00 0.00 N ATOM 166 CA GLU B 15 20.243 -4.729 -9.510 1.00 0.00 C ATOM 167 C GLU B 15 20.249 -4.209 -8.070 1.00 0.00 C ATOM 168 O GLU B 15 21.278 -3.740 -7.590 1.00 0.00 O ATOM 169 CB GLU B 15 19.040 -4.206 -10.316 1.00 0.00 C ATOM 170 CG GLU B 15 19.107 -4.581 -11.805 1.00 0.00 C ATOM 171 CD GLU B 15 18.712 -6.032 -12.070 1.00 0.00 C ATOM 172 OE1 GLU B 15 17.504 -6.323 -11.930 1.00 0.00 O ATOM 173 OE2 GLU B 15 19.619 -6.831 -12.389 1.00 0.00 O ATOM 0 H GLU B 15 19.329 -6.602 -9.485 1.00 0.00 H new ATOM 0 HA GLU B 15 21.138 -4.354 -10.006 1.00 0.00 H new ATOM 0 HB2 GLU B 15 18.121 -4.605 -9.887 1.00 0.00 H new ATOM 0 HB3 GLU B 15 18.990 -3.121 -10.222 1.00 0.00 H new ATOM 0 HG2 GLU B 15 18.449 -3.921 -12.371 1.00 0.00 H new ATOM 0 HG3 GLU B 15 20.119 -4.412 -12.172 1.00 0.00 H new ATOM 180 N ARG B 16 19.101 -4.299 -7.387 1.00 0.00 N ATOM 181 CA ARG B 16 18.923 -3.855 -6.011 1.00 0.00 C ATOM 182 C ARG B 16 17.593 -4.397 -5.486 1.00 0.00 C ATOM 183 O ARG B 16 17.569 -5.179 -4.538 1.00 0.00 O ATOM 184 CB ARG B 16 18.975 -2.317 -5.935 1.00 0.00 C ATOM 185 CG ARG B 16 18.752 -1.804 -4.505 1.00 0.00 C ATOM 186 CD ARG B 16 18.852 -0.277 -4.464 1.00 0.00 C ATOM 187 NE ARG B 16 18.597 0.233 -3.110 1.00 0.00 N ATOM 188 CZ ARG B 16 18.556 1.534 -2.774 1.00 0.00 C ATOM 189 NH1 ARG B 16 18.764 2.485 -3.695 1.00 0.00 N ATOM 190 NH2 ARG B 16 18.304 1.882 -1.505 1.00 0.00 N ATOM 0 H ARG B 16 18.252 -4.694 -7.792 1.00 0.00 H new ATOM 0 HA ARG B 16 19.730 -4.238 -5.387 1.00 0.00 H new ATOM 0 HB2 ARG B 16 19.942 -1.969 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG B 16 18.216 -1.896 -6.594 1.00 0.00 H new ATOM 0 HG2 ARG B 16 17.772 -2.120 -4.147 1.00 0.00 H new ATOM 0 HG3 ARG B 16 19.493 -2.241 -3.835 1.00 0.00 H new ATOM 0 HD2 ARG B 16 19.843 0.035 -4.793 1.00 0.00 H new ATOM 0 HD3 ARG B 16 18.134 0.156 -5.161 1.00 0.00 H new ATOM 0 HE ARG B 16 18.439 -0.451 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG B 16 18.956 2.225 -4.662 1.00 0.00 H new ATOM 0 HH12 ARG B 16 18.730 3.469 -3.429 1.00 0.00 H new ATOM 0 HH21 ARG B 16 18.145 1.162 -0.801 1.00 0.00 H new ATOM 0 HH22 ARG B 16 18.271 2.867 -1.243 1.00 0.00 H new ATOM 204 N ARG B 17 16.489 -3.955 -6.101 1.00 0.00 N ATOM 205 CA ARG B 17 15.127 -4.271 -5.688 1.00 0.00 C ATOM 206 C ARG B 17 14.143 -3.914 -6.808 1.00 0.00 C ATOM 207 O ARG B 17 13.184 -4.649 -7.039 1.00 0.00 O ATOM 208 CB ARG B 17 14.775 -3.498 -4.406 1.00 0.00 C ATOM 209 CG ARG B 17 13.490 -4.030 -3.748 1.00 0.00 C ATOM 210 CD ARG B 17 12.849 -2.965 -2.853 1.00 0.00 C ATOM 211 NE ARG B 17 12.333 -1.865 -3.676 1.00 0.00 N ATOM 212 CZ ARG B 17 12.230 -0.576 -3.320 1.00 0.00 C ATOM 213 NH1 ARG B 17 12.434 -0.176 -2.059 1.00 0.00 N ATOM 214 NH2 ARG B 17 11.931 0.331 -4.256 1.00 0.00 N ATOM 0 H ARG B 17 16.526 -3.351 -6.922 1.00 0.00 H new ATOM 0 HA ARG B 17 15.056 -5.340 -5.486 1.00 0.00 H new ATOM 0 HB2 ARG B 17 15.602 -3.572 -3.699 1.00 0.00 H new ATOM 0 HB3 ARG B 17 14.651 -2.441 -4.642 1.00 0.00 H new ATOM 0 HG2 ARG B 17 12.783 -4.336 -4.519 1.00 0.00 H new ATOM 0 HG3 ARG B 17 13.720 -4.916 -3.157 1.00 0.00 H new ATOM 0 HD2 ARG B 17 12.040 -3.406 -2.271 1.00 0.00 H new ATOM 0 HD3 ARG B 17 13.583 -2.585 -2.142 1.00 0.00 H new ATOM 0 HE ARG B 17 12.020 -2.106 -4.617 1.00 0.00 H new ATOM 0 HH11 ARG B 17 12.675 -0.858 -1.340 1.00 0.00 H new ATOM 0 HH12 ARG B 17 12.349 0.811 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG B 17 11.785 0.038 -5.222 1.00 0.00 H new ATOM 0 HH22 ARG B 17 11.848 1.316 -4.004 1.00 0.00 H new ATOM 228 N ARG B 18 14.368 -2.772 -7.479 1.00 0.00 N ATOM 229 CA ARG B 18 13.460 -2.180 -8.457 1.00 0.00 C ATOM 230 C ARG B 18 12.265 -1.550 -7.738 1.00 0.00 C ATOM 231 O ARG B 18 12.203 -1.531 -6.508 1.00 0.00 O ATOM 232 CB ARG B 18 13.059 -3.200 -9.544 1.00 0.00 C ATOM 233 CG ARG B 18 13.151 -2.598 -10.955 1.00 0.00 C ATOM 234 CD ARG B 18 12.616 -3.546 -12.040 1.00 0.00 C ATOM 235 NE ARG B 18 13.113 -4.924 -11.907 1.00 0.00 N ATOM 236 CZ ARG B 18 14.392 -5.324 -12.032 1.00 0.00 C ATOM 237 NH1 ARG B 18 15.360 -4.475 -12.402 1.00 0.00 N ATOM 238 NH2 ARG B 18 14.721 -6.595 -11.773 1.00 0.00 N ATOM 0 H ARG B 18 15.217 -2.223 -7.346 1.00 0.00 H new ATOM 0 HA ARG B 18 13.972 -1.379 -8.990 1.00 0.00 H new ATOM 0 HB2 ARG B 18 13.707 -4.074 -9.479 1.00 0.00 H new ATOM 0 HB3 ARG B 18 12.041 -3.544 -9.361 1.00 0.00 H new ATOM 0 HG2 ARG B 18 12.589 -1.664 -10.985 1.00 0.00 H new ATOM 0 HG3 ARG B 18 14.190 -2.352 -11.174 1.00 0.00 H new ATOM 0 HD2 ARG B 18 11.527 -3.555 -12.000 1.00 0.00 H new ATOM 0 HD3 ARG B 18 12.896 -3.160 -13.020 1.00 0.00 H new ATOM 0 HE ARG B 18 12.422 -5.645 -11.700 1.00 0.00 H new ATOM 0 HH11 ARG B 18 15.136 -3.499 -12.597 1.00 0.00 H new ATOM 0 HH12 ARG B 18 16.321 -4.804 -12.489 1.00 0.00 H new ATOM 0 HH21 ARG B 18 14.003 -7.258 -11.482 1.00 0.00 H new ATOM 0 HH22 ARG B 18 15.690 -6.900 -11.867 1.00 0.00 H new ATOM 252 N SER B 19 11.323 -1.014 -8.515 1.00 0.00 N ATOM 253 CA SER B 19 10.085 -0.423 -8.031 1.00 0.00 C ATOM 254 C SER B 19 9.100 -1.517 -7.599 1.00 0.00 C ATOM 255 O SER B 19 8.009 -1.634 -8.155 1.00 0.00 O ATOM 256 CB SER B 19 9.521 0.467 -9.144 1.00 0.00 C ATOM 257 OG SER B 19 9.323 -0.288 -10.322 1.00 0.00 O ATOM 0 H SER B 19 11.408 -0.981 -9.531 1.00 0.00 H new ATOM 0 HA SER B 19 10.266 0.189 -7.147 1.00 0.00 H new ATOM 0 HB2 SER B 19 8.577 0.908 -8.823 1.00 0.00 H new ATOM 0 HB3 SER B 19 10.206 1.291 -9.343 1.00 0.00 H new ATOM 0 HG SER B 19 8.699 -1.022 -10.139 1.00 0.00 H new ATOM 263 N GLN B 20 9.497 -2.319 -6.603 1.00 0.00 N ATOM 264 CA GLN B 20 8.697 -3.392 -6.041 1.00 0.00 C ATOM 265 C GLN B 20 7.657 -2.773 -5.116 1.00 0.00 C ATOM 266 O GLN B 20 6.493 -2.667 -5.489 1.00 0.00 O ATOM 267 CB GLN B 20 9.622 -4.388 -5.320 1.00 0.00 C ATOM 268 CG GLN B 20 8.866 -5.520 -4.610 1.00 0.00 C ATOM 269 CD GLN B 20 7.876 -6.232 -5.527 1.00 0.00 C ATOM 270 OE1 GLN B 20 6.666 -6.114 -5.348 1.00 0.00 O ATOM 271 NE2 GLN B 20 8.386 -6.969 -6.516 1.00 0.00 N ATOM 0 H GLN B 20 10.411 -2.229 -6.160 1.00 0.00 H new ATOM 0 HA GLN B 20 8.170 -3.951 -6.814 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.312 -4.821 -6.044 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.224 -3.849 -4.589 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.583 -6.244 -4.224 1.00 0.00 H new ATOM 0 HG3 GLN B 20 8.332 -5.112 -3.752 1.00 0.00 H new ATOM 0 HE21 GLN B 20 9.397 -7.040 -6.630 1.00 0.00 H new ATOM 0 HE22 GLN B 20 7.765 -7.461 -7.158 1.00 0.00 H new ATOM 280 N LEU B 21 8.097 -2.337 -3.932 1.00 0.00 N ATOM 281 CA LEU B 21 7.314 -1.548 -3.000 1.00 0.00 C ATOM 282 C LEU B 21 8.271 -0.742 -2.127 1.00 0.00 C ATOM 283 O LEU B 21 8.913 -1.270 -1.221 1.00 0.00 O ATOM 284 CB LEU B 21 6.302 -2.389 -2.207 1.00 0.00 C ATOM 285 CG LEU B 21 6.869 -3.555 -1.379 1.00 0.00 C ATOM 286 CD1 LEU B 21 6.803 -3.223 0.114 1.00 0.00 C ATOM 287 CD2 LEU B 21 6.040 -4.826 -1.611 1.00 0.00 C ATOM 0 H LEU B 21 9.039 -2.534 -3.593 1.00 0.00 H new ATOM 0 HA LEU B 21 6.684 -0.851 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU B 21 5.762 -1.724 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU B 21 5.572 -2.793 -2.908 1.00 0.00 H new ATOM 0 HG LEU B 21 7.902 -3.714 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU B 21 7.207 -4.056 0.690 1.00 0.00 H new ATOM 0 HD12 LEU B 21 7.389 -2.326 0.313 1.00 0.00 H new ATOM 0 HD13 LEU B 21 5.766 -3.051 0.403 1.00 0.00 H new ATOM 0 HD21 LEU B 21 6.453 -5.643 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU B 21 5.007 -4.647 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.070 -5.092 -2.667 1.00 0.00 H new ATOM 299 N ASP B 22 8.388 0.545 -2.455 1.00 0.00 N ATOM 300 CA ASP B 22 9.211 1.511 -1.750 1.00 0.00 C ATOM 301 C ASP B 22 8.421 2.141 -0.593 1.00 0.00 C ATOM 302 O ASP B 22 7.365 1.648 -0.197 1.00 0.00 O ATOM 303 CB ASP B 22 9.696 2.554 -2.772 1.00 0.00 C ATOM 304 CG ASP B 22 11.007 3.209 -2.347 1.00 0.00 C ATOM 305 OD1 ASP B 22 12.059 2.582 -2.596 1.00 0.00 O ATOM 306 OD2 ASP B 22 10.928 4.304 -1.752 1.00 0.00 O ATOM 0 H ASP B 22 7.892 0.952 -3.248 1.00 0.00 H new ATOM 0 HA ASP B 22 10.080 1.031 -1.300 1.00 0.00 H new ATOM 0 HB2 ASP B 22 9.828 2.075 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP B 22 8.932 3.321 -2.897 1.00 0.00 H new ATOM 311 N ARG B 23 8.947 3.243 -0.055 1.00 0.00 N ATOM 312 CA ARG B 23 8.293 4.109 0.914 1.00 0.00 C ATOM 313 C ARG B 23 7.312 5.033 0.197 1.00 0.00 C ATOM 314 O ARG B 23 6.294 5.398 0.767 1.00 0.00 O ATOM 315 CB ARG B 23 9.368 4.904 1.660 1.00 0.00 C ATOM 316 CG ARG B 23 10.257 3.953 2.476 1.00 0.00 C ATOM 317 CD ARG B 23 9.958 4.074 3.970 1.00 0.00 C ATOM 318 NE ARG B 23 10.560 2.973 4.735 1.00 0.00 N ATOM 319 CZ ARG B 23 10.956 3.022 6.021 1.00 0.00 C ATOM 320 NH1 ARG B 23 11.037 4.178 6.693 1.00 0.00 N ATOM 321 NH2 ARG B 23 11.277 1.882 6.647 1.00 0.00 N ATOM 0 H ARG B 23 9.884 3.566 -0.297 1.00 0.00 H new ATOM 0 HA ARG B 23 7.727 3.520 1.636 1.00 0.00 H new ATOM 0 HB2 ARG B 23 9.977 5.463 0.949 1.00 0.00 H new ATOM 0 HB3 ARG B 23 8.899 5.633 2.321 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.093 2.926 2.150 1.00 0.00 H new ATOM 0 HG3 ARG B 23 11.307 4.182 2.291 1.00 0.00 H new ATOM 0 HD2 ARG B 23 10.338 5.026 4.341 1.00 0.00 H new ATOM 0 HD3 ARG B 23 8.879 4.079 4.126 1.00 0.00 H new ATOM 0 HE ARG B 23 10.690 2.088 4.245 1.00 0.00 H new ATOM 0 HH11 ARG B 23 10.795 5.055 6.231 1.00 0.00 H new ATOM 0 HH12 ARG B 23 11.341 4.182 7.667 1.00 0.00 H new ATOM 0 HH21 ARG B 23 11.220 0.993 6.150 1.00 0.00 H new ATOM 0 HH22 ARG B 23 11.579 1.903 7.621 1.00 0.00 H new ATOM 335 N ASP B 24 7.610 5.386 -1.055 1.00 0.00 N ATOM 336 CA ASP B 24 6.733 6.139 -1.941 1.00 0.00 C ATOM 337 C ASP B 24 5.422 5.396 -2.234 1.00 0.00 C ATOM 338 O ASP B 24 4.346 5.890 -1.900 1.00 0.00 O ATOM 339 CB ASP B 24 7.487 6.435 -3.247 1.00 0.00 C ATOM 340 CG ASP B 24 6.581 7.056 -4.309 1.00 0.00 C ATOM 341 OD1 ASP B 24 6.304 8.268 -4.182 1.00 0.00 O ATOM 342 OD2 ASP B 24 6.178 6.306 -5.225 1.00 0.00 O ATOM 0 H ASP B 24 8.500 5.145 -1.491 1.00 0.00 H new ATOM 0 HA ASP B 24 6.458 7.069 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP B 24 8.317 7.110 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.917 5.511 -3.634 1.00 0.00 H new ATOM 347 N GLN B 25 5.518 4.232 -2.891 1.00 0.00 N ATOM 348 CA GLN B 25 4.383 3.511 -3.459 1.00 0.00 C ATOM 349 C GLN B 25 3.779 2.475 -2.508 1.00 0.00 C ATOM 350 O GLN B 25 4.369 2.121 -1.489 1.00 0.00 O ATOM 351 CB GLN B 25 4.816 2.852 -4.778 1.00 0.00 C ATOM 352 CG GLN B 25 6.045 1.956 -4.581 1.00 0.00 C ATOM 353 CD GLN B 25 6.223 0.949 -5.713 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.153 1.068 -6.508 1.00 0.00 O ATOM 355 NE2 GLN B 25 5.358 -0.064 -5.783 1.00 0.00 N ATOM 0 H GLN B 25 6.409 3.759 -3.043 1.00 0.00 H new ATOM 0 HA GLN B 25 3.592 4.239 -3.640 1.00 0.00 H new ATOM 0 HB2 GLN B 25 3.993 2.260 -5.178 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.041 3.623 -5.515 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.937 2.579 -4.510 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.953 1.422 -3.635 1.00 0.00 H new ATOM 0 HE21 GLN B 25 4.597 -0.133 -5.107 1.00 0.00 H new ATOM 0 HE22 GLN B 25 5.457 -0.770 -6.513 1.00 0.00 H new ATOM 364 N CYS B 26 2.591 1.987 -2.890 1.00 0.00 N ATOM 365 CA CYS B 26 1.816 0.960 -2.212 1.00 0.00 C ATOM 366 C CYS B 26 2.602 -0.342 -2.075 1.00 0.00 C ATOM 367 O CYS B 26 3.567 -0.591 -2.798 1.00 0.00 O ATOM 368 CB CYS B 26 0.488 0.751 -2.965 1.00 0.00 C ATOM 369 SG CYS B 26 -0.712 -0.391 -2.227 1.00 0.00 S ATOM 0 H CYS B 26 2.125 2.324 -3.732 1.00 0.00 H new ATOM 0 HA CYS B 26 1.598 1.291 -1.197 1.00 0.00 H new ATOM 0 HB2 CYS B 26 0.006 1.722 -3.076 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.721 0.394 -3.968 1.00 0.00 H new ATOM 374 N ALA B 27 2.171 -1.156 -1.110 1.00 0.00 N ATOM 375 CA ALA B 27 2.744 -2.454 -0.779 1.00 0.00 C ATOM 376 C ALA B 27 1.852 -3.607 -1.242 1.00 0.00 C ATOM 377 O ALA B 27 2.345 -4.673 -1.604 1.00 0.00 O ATOM 378 CB ALA B 27 2.966 -2.524 0.729 1.00 0.00 C ATOM 0 H ALA B 27 1.379 -0.915 -0.514 1.00 0.00 H new ATOM 0 HA ALA B 27 3.694 -2.558 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.395 -3.492 0.989 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.649 -1.731 1.033 1.00 0.00 H new ATOM 0 HB3 ALA B 27 2.013 -2.400 1.243 1.00 0.00 H new ATOM 384 N TYR B 28 0.536 -3.399 -1.209 1.00 0.00 N ATOM 385 CA TYR B 28 -0.475 -4.404 -1.498 1.00 0.00 C ATOM 386 C TYR B 28 -0.590 -4.684 -2.990 1.00 0.00 C ATOM 387 O TYR B 28 -0.641 -5.838 -3.410 1.00 0.00 O ATOM 388 CB TYR B 28 -1.813 -3.880 -0.990 1.00 0.00 C ATOM 389 CG TYR B 28 -2.926 -4.912 -0.997 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.991 -5.896 0.006 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.892 -4.901 -2.020 1.00 0.00 C ATOM 392 CE1 TYR B 28 -4.043 -6.828 0.013 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.929 -5.847 -2.029 1.00 0.00 C ATOM 394 CZ TYR B 28 -5.015 -6.801 -1.001 1.00 0.00 C ATOM 395 OH TYR B 28 -6.044 -7.696 -0.981 1.00 0.00 O ATOM 0 H TYR B 28 0.135 -2.492 -0.971 1.00 0.00 H new ATOM 0 HA TYR B 28 -0.192 -5.335 -1.008 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.683 -3.508 0.026 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -2.115 -3.031 -1.604 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -2.231 -5.935 0.772 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -3.835 -4.160 -2.803 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -4.104 -7.566 0.799 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -5.659 -5.842 -2.825 1.00 0.00 H new ATOM 0 HH TYR B 28 -6.628 -7.541 -1.753 1.00 0.00 H new ATOM 405 N CYS B 29 -0.663 -3.603 -3.767 1.00 0.00 N ATOM 406 CA CYS B 29 -0.941 -3.600 -5.197 1.00 0.00 C ATOM 407 C CYS B 29 0.132 -2.832 -5.968 1.00 0.00 C ATOM 408 O CYS B 29 0.152 -2.885 -7.196 1.00 0.00 O ATOM 409 CB CYS B 29 -2.338 -3.032 -5.464 1.00 0.00 C ATOM 410 SG CYS B 29 -2.470 -1.230 -5.496 1.00 0.00 S ATOM 0 H CYS B 29 -0.523 -2.663 -3.396 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.918 -4.629 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -2.689 -3.419 -6.421 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -3.015 -3.412 -4.699 1.00 0.00 H new ATOM 415 N LYS B 30 1.048 -2.162 -5.252 1.00 0.00 N ATOM 416 CA LYS B 30 2.254 -1.566 -5.824 1.00 0.00 C ATOM 417 C LYS B 30 1.973 -0.299 -6.649 1.00 0.00 C ATOM 418 O LYS B 30 2.831 0.144 -7.414 1.00 0.00 O ATOM 419 CB LYS B 30 3.074 -2.587 -6.638 1.00 0.00 C ATOM 420 CG LYS B 30 3.079 -4.034 -6.125 1.00 0.00 C ATOM 421 CD LYS B 30 3.575 -4.237 -4.691 1.00 0.00 C ATOM 422 CE LYS B 30 3.516 -5.723 -4.309 1.00 0.00 C ATOM 423 NZ LYS B 30 2.143 -6.179 -4.036 1.00 0.00 N ATOM 0 H LYS B 30 0.966 -2.020 -4.245 1.00 0.00 H new ATOM 0 HA LYS B 30 2.857 -1.254 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS B 30 2.695 -2.590 -7.660 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.106 -2.238 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.065 -4.427 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS B 30 3.700 -4.632 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS B 30 4.598 -3.872 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.964 -3.653 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.940 -6.320 -5.116 1.00 0.00 H new ATOM 0 HE3 LYS B 30 4.134 -5.893 -3.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.123 -7.218 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 1.825 -5.795 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.510 -5.846 -4.791 1.00 0.00 H new ATOM 437 N GLU B 31 0.783 0.292 -6.501 1.00 0.00 N ATOM 438 CA GLU B 31 0.404 1.520 -7.176 1.00 0.00 C ATOM 439 C GLU B 31 0.962 2.742 -6.435 1.00 0.00 C ATOM 440 O GLU B 31 1.115 2.731 -5.219 1.00 0.00 O ATOM 441 CB GLU B 31 -1.117 1.587 -7.263 1.00 0.00 C ATOM 442 CG GLU B 31 -1.540 2.566 -8.356 1.00 0.00 C ATOM 443 CD GLU B 31 -3.007 2.937 -8.172 1.00 0.00 C ATOM 444 OE1 GLU B 31 -3.856 2.078 -8.499 1.00 0.00 O ATOM 445 OE2 GLU B 31 -3.252 4.053 -7.664 1.00 0.00 O ATOM 0 H GLU B 31 0.050 -0.082 -5.898 1.00 0.00 H new ATOM 0 HA GLU B 31 0.825 1.526 -8.182 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.520 0.597 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.530 1.900 -6.304 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -0.920 3.462 -8.315 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -1.388 2.118 -9.338 1.00 0.00 H new ATOM 452 N LYS B 32 1.273 3.798 -7.188 1.00 0.00 N ATOM 453 CA LYS B 32 1.953 5.000 -6.729 1.00 0.00 C ATOM 454 C LYS B 32 0.958 6.005 -6.159 1.00 0.00 C ATOM 455 O LYS B 32 1.255 6.683 -5.178 1.00 0.00 O ATOM 456 CB LYS B 32 2.677 5.618 -7.928 1.00 0.00 C ATOM 457 CG LYS B 32 4.012 4.928 -8.232 1.00 0.00 C ATOM 458 CD LYS B 32 3.963 3.409 -8.459 1.00 0.00 C ATOM 459 CE LYS B 32 3.313 2.994 -9.780 1.00 0.00 C ATOM 460 NZ LYS B 32 3.437 1.538 -9.974 1.00 0.00 N ATOM 0 H LYS B 32 1.045 3.836 -8.181 1.00 0.00 H new ATOM 0 HA LYS B 32 2.658 4.742 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS B 32 2.034 5.559 -8.806 1.00 0.00 H new ATOM 0 HB3 LYS B 32 2.855 6.676 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS B 32 4.441 5.392 -9.120 1.00 0.00 H new ATOM 0 HG3 LYS B 32 4.695 5.128 -7.406 1.00 0.00 H new ATOM 0 HD2 LYS B 32 4.979 3.015 -8.427 1.00 0.00 H new ATOM 0 HD3 LYS B 32 3.416 2.947 -7.637 1.00 0.00 H new ATOM 0 HE2 LYS B 32 2.261 3.280 -9.782 1.00 0.00 H new ATOM 0 HE3 LYS B 32 3.788 3.520 -10.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 2.787 1.231 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 4.414 1.306 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 3.198 1.048 -9.088 1.00 0.00 H new ATOM 474 N GLY B 33 -0.212 6.106 -6.801 1.00 0.00 N ATOM 475 CA GLY B 33 -1.269 7.054 -6.478 1.00 0.00 C ATOM 476 C GLY B 33 -1.735 7.016 -5.019 1.00 0.00 C ATOM 477 O GLY B 33 -2.361 7.972 -4.564 1.00 0.00 O ATOM 0 H GLY B 33 -0.451 5.504 -7.589 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -0.919 8.060 -6.708 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -2.125 6.858 -7.124 1.00 0.00 H new ATOM 481 N HIS B 34 -1.446 5.933 -4.288 1.00 0.00 N ATOM 482 CA HIS B 34 -1.812 5.785 -2.885 1.00 0.00 C ATOM 483 C HIS B 34 -0.780 4.875 -2.204 1.00 0.00 C ATOM 484 O HIS B 34 0.287 4.623 -2.765 1.00 0.00 O ATOM 485 CB HIS B 34 -3.252 5.260 -2.810 1.00 0.00 C ATOM 486 CG HIS B 34 -3.369 3.878 -3.380 1.00 0.00 C ATOM 487 ND1 HIS B 34 -3.922 3.567 -4.600 1.00 0.00 N ATOM 488 CD2 HIS B 34 -2.957 2.677 -2.887 1.00 0.00 C ATOM 489 CE1 HIS B 34 -3.753 2.243 -4.750 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.165 1.601 -3.726 1.00 0.00 N ATOM 0 H HIS B 34 -0.945 5.128 -4.664 1.00 0.00 H new ATOM 0 HA HIS B 34 -1.795 6.734 -2.349 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.584 5.255 -1.772 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -3.914 5.935 -3.353 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.368 4.209 -5.255 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.502 2.574 -1.913 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.071 1.724 -5.642 1.00 0.00 H new ATOM 498 N TRP B 35 -1.094 4.384 -0.998 1.00 0.00 N ATOM 499 CA TRP B 35 -0.201 3.567 -0.187 1.00 0.00 C ATOM 500 C TRP B 35 -0.919 2.353 0.392 1.00 0.00 C ATOM 501 O TRP B 35 -2.144 2.316 0.401 1.00 0.00 O ATOM 502 CB TRP B 35 0.355 4.452 0.925 1.00 0.00 C ATOM 503 CG TRP B 35 1.796 4.264 1.237 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.787 4.154 0.327 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.437 4.218 2.537 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.996 4.032 0.968 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.842 4.111 2.332 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.981 4.327 3.866 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.754 4.106 3.389 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.889 4.330 4.934 1.00 0.00 C ATOM 511 CH2 TRP B 35 4.268 4.201 4.698 1.00 0.00 C ATOM 0 H TRP B 35 -1.997 4.551 -0.555 1.00 0.00 H new ATOM 0 HA TRP B 35 0.608 3.180 -0.807 1.00 0.00 H new ATOM 0 HB2 TRP B 35 0.195 5.494 0.649 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.221 4.270 1.832 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.650 4.161 -0.744 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.890 3.900 0.495 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.922 4.409 4.063 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.815 4.030 3.200 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.526 4.432 5.946 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.956 4.175 5.530 1.00 0.00 H new ATOM 522 N ALA B 36 -0.164 1.372 0.903 1.00 0.00 N ATOM 523 CA ALA B 36 -0.725 0.147 1.474 1.00 0.00 C ATOM 524 C ALA B 36 -1.769 0.455 2.551 1.00 0.00 C ATOM 525 O ALA B 36 -2.795 -0.217 2.641 1.00 0.00 O ATOM 526 CB ALA B 36 0.401 -0.713 2.048 1.00 0.00 C ATOM 0 H ALA B 36 0.855 1.408 0.931 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.231 -0.402 0.679 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.018 -1.625 2.473 1.00 0.00 H new ATOM 0 HB2 ALA B 36 1.102 -0.971 1.254 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.923 -0.157 2.826 1.00 0.00 H new ATOM 532 N LYS B 37 -1.503 1.501 3.340 1.00 0.00 N ATOM 533 CA LYS B 37 -2.374 2.008 4.384 1.00 0.00 C ATOM 534 C LYS B 37 -3.710 2.502 3.813 1.00 0.00 C ATOM 535 O LYS B 37 -4.749 2.344 4.451 1.00 0.00 O ATOM 536 CB LYS B 37 -1.650 3.133 5.134 1.00 0.00 C ATOM 537 CG LYS B 37 -0.309 2.681 5.734 1.00 0.00 C ATOM 538 CD LYS B 37 -0.445 1.773 6.963 1.00 0.00 C ATOM 539 CE LYS B 37 -0.504 2.630 8.227 1.00 0.00 C ATOM 540 NZ LYS B 37 -0.962 1.845 9.388 1.00 0.00 N ATOM 0 H LYS B 37 -0.637 2.034 3.258 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.605 1.198 5.075 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -1.476 3.965 4.452 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -2.293 3.504 5.932 1.00 0.00 H new ATOM 0 HG2 LYS B 37 0.260 2.154 4.968 1.00 0.00 H new ATOM 0 HG3 LYS B 37 0.269 3.563 6.010 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -1.346 1.165 6.881 1.00 0.00 H new ATOM 0 HD3 LYS B 37 0.400 1.086 7.016 1.00 0.00 H new ATOM 0 HE2 LYS B 37 0.482 3.046 8.433 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -1.177 3.472 8.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -0.578 2.260 10.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -2.001 1.857 9.427 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -0.630 0.864 9.296 1.00 0.00 H new ATOM 554 N ASP B 38 -3.663 3.108 2.620 1.00 0.00 N ATOM 555 CA ASP B 38 -4.780 3.749 1.933 1.00 0.00 C ATOM 556 C ASP B 38 -5.299 2.907 0.755 1.00 0.00 C ATOM 557 O ASP B 38 -6.087 3.408 -0.046 1.00 0.00 O ATOM 558 CB ASP B 38 -4.282 5.108 1.410 1.00 0.00 C ATOM 559 CG ASP B 38 -5.414 6.027 0.949 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.311 6.288 1.780 1.00 0.00 O ATOM 561 OD2 ASP B 38 -5.353 6.463 -0.221 1.00 0.00 O ATOM 0 H ASP B 38 -2.797 3.165 2.084 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.608 3.863 2.633 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -3.715 5.607 2.196 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -3.597 4.941 0.579 1.00 0.00 H new ATOM 566 N CYS B 39 -4.860 1.648 0.608 1.00 0.00 N ATOM 567 CA CYS B 39 -5.126 0.886 -0.603 1.00 0.00 C ATOM 568 C CYS B 39 -6.632 0.654 -0.809 1.00 0.00 C ATOM 569 O CYS B 39 -7.291 0.108 0.074 1.00 0.00 O ATOM 570 CB CYS B 39 -4.336 -0.423 -0.598 1.00 0.00 C ATOM 571 SG CYS B 39 -4.351 -1.323 -2.182 1.00 0.00 S ATOM 0 H CYS B 39 -4.322 1.145 1.314 1.00 0.00 H new ATOM 0 HA CYS B 39 -4.786 1.474 -1.456 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.302 -0.207 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.740 -1.073 0.178 1.00 0.00 H new ATOM 576 N PRO B 40 -7.194 1.075 -1.956 1.00 0.00 N ATOM 577 CA PRO B 40 -8.597 0.918 -2.288 1.00 0.00 C ATOM 578 C PRO B 40 -8.880 -0.485 -2.840 1.00 0.00 C ATOM 579 O PRO B 40 -10.024 -0.935 -2.794 1.00 0.00 O ATOM 580 CB PRO B 40 -8.856 2.001 -3.324 1.00 0.00 C ATOM 581 CG PRO B 40 -7.562 2.027 -4.125 1.00 0.00 C ATOM 582 CD PRO B 40 -6.511 1.725 -3.061 1.00 0.00 C ATOM 0 HA PRO B 40 -9.251 1.019 -1.422 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -9.714 1.762 -3.952 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.061 2.965 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.561 1.281 -4.920 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.396 2.995 -4.597 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -5.730 1.080 -3.464 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.026 2.643 -2.728 1.00 0.00 H new ATOM 590 N LYS B 41 -7.846 -1.166 -3.354 1.00 0.00 N ATOM 591 CA LYS B 41 -7.918 -2.549 -3.812 1.00 0.00 C ATOM 592 C LYS B 41 -8.092 -3.461 -2.594 1.00 0.00 C ATOM 593 O LYS B 41 -8.896 -4.391 -2.598 1.00 0.00 O ATOM 594 CB LYS B 41 -6.639 -2.950 -4.575 1.00 0.00 C ATOM 595 CG LYS B 41 -6.024 -1.891 -5.502 1.00 0.00 C ATOM 596 CD LYS B 41 -6.915 -1.520 -6.690 1.00 0.00 C ATOM 597 CE LYS B 41 -6.390 -0.276 -7.424 1.00 0.00 C ATOM 598 NZ LYS B 41 -5.019 -0.450 -7.937 1.00 0.00 N ATOM 0 H LYS B 41 -6.918 -0.756 -3.463 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.764 -2.651 -4.492 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.885 -3.241 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.863 -3.835 -5.171 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -5.814 -0.992 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -5.069 -2.260 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -6.965 -2.359 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -7.931 -1.335 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -7.056 -0.042 -8.254 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -6.413 0.577 -6.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.679 0.450 -8.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -4.393 -0.746 -7.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -5.016 -1.177 -8.681 1.00 0.00 H new ATOM 612 N LYS B 42 -7.305 -3.166 -1.556 1.00 0.00 N ATOM 613 CA LYS B 42 -7.242 -3.852 -0.283 1.00 0.00 C ATOM 614 C LYS B 42 -8.568 -3.691 0.470 1.00 0.00 C ATOM 615 O LYS B 42 -9.152 -2.608 0.421 1.00 0.00 O ATOM 616 CB LYS B 42 -6.080 -3.216 0.491 1.00 0.00 C ATOM 617 CG LYS B 42 -5.843 -3.764 1.896 1.00 0.00 C ATOM 618 CD LYS B 42 -4.707 -2.998 2.581 1.00 0.00 C ATOM 619 CE LYS B 42 -4.524 -3.435 4.040 1.00 0.00 C ATOM 620 NZ LYS B 42 -4.197 -4.867 4.153 1.00 0.00 N ATOM 0 H LYS B 42 -6.652 -2.383 -1.596 1.00 0.00 H new ATOM 0 HA LYS B 42 -7.079 -4.923 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -5.166 -3.347 -0.089 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.260 -2.144 0.565 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -6.756 -3.679 2.486 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -5.596 -4.824 1.843 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -3.778 -3.159 2.034 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -4.916 -1.929 2.545 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -3.730 -2.845 4.498 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -5.437 -3.227 4.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -3.884 -5.076 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -5.040 -5.434 3.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -3.435 -5.103 3.485 1.00 0.00 H new ATOM 634 N PRO B 43 -9.038 -4.736 1.179 1.00 0.00 N ATOM 635 CA PRO B 43 -10.158 -4.666 2.109 1.00 0.00 C ATOM 636 C PRO B 43 -10.070 -3.430 3.009 1.00 0.00 C ATOM 637 O PRO B 43 -9.138 -3.297 3.801 1.00 0.00 O ATOM 638 CB PRO B 43 -10.101 -5.966 2.915 1.00 0.00 C ATOM 639 CG PRO B 43 -9.509 -6.952 1.911 1.00 0.00 C ATOM 640 CD PRO B 43 -8.517 -6.092 1.127 1.00 0.00 C ATOM 0 HA PRO B 43 -11.108 -4.567 1.585 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -9.476 -5.866 3.802 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -11.089 -6.277 3.254 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -9.014 -7.786 2.408 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -10.275 -7.377 1.263 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -7.521 -6.145 1.567 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -8.429 -6.438 0.097 1.00 0.00 H new ATOM 648 N ARG B 44 -11.025 -2.511 2.843 1.00 0.00 N ATOM 649 CA ARG B 44 -10.994 -1.186 3.446 1.00 0.00 C ATOM 650 C ARG B 44 -11.469 -1.245 4.898 1.00 0.00 C ATOM 651 O ARG B 44 -10.837 -0.668 5.781 1.00 0.00 O ATOM 652 CB ARG B 44 -11.849 -0.223 2.611 1.00 0.00 C ATOM 653 CG ARG B 44 -11.389 -0.205 1.146 1.00 0.00 C ATOM 654 CD ARG B 44 -12.212 0.776 0.311 1.00 0.00 C ATOM 655 NE ARG B 44 -11.921 0.592 -1.116 1.00 0.00 N ATOM 656 CZ ARG B 44 -12.557 1.202 -2.128 1.00 0.00 C ATOM 657 NH1 ARG B 44 -13.492 2.133 -1.891 1.00 0.00 N ATOM 658 NH2 ARG B 44 -12.247 0.867 -3.386 1.00 0.00 N ATOM 0 H ARG B 44 -11.855 -2.675 2.274 1.00 0.00 H new ATOM 0 HA ARG B 44 -9.969 -0.816 3.456 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -12.896 -0.522 2.663 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -11.784 0.782 3.028 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -10.335 0.070 1.098 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -11.477 -1.206 0.724 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -13.275 0.621 0.496 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -11.983 1.799 0.608 1.00 0.00 H new ATOM 0 HE ARG B 44 -11.171 -0.055 -1.359 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -13.728 2.386 -0.931 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -13.967 2.588 -2.670 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -11.536 0.157 -3.564 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -12.721 1.321 -4.166 1.00 0.00 H new ATOM 672 N GLY B 45 -12.580 -1.948 5.141 1.00 0.00 N ATOM 673 CA GLY B 45 -13.153 -2.124 6.465 1.00 0.00 C ATOM 674 C GLY B 45 -14.304 -3.130 6.408 1.00 0.00 C ATOM 675 O GLY B 45 -14.655 -3.600 5.325 1.00 0.00 O ATOM 0 H GLY B 45 -13.110 -2.416 4.406 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -12.388 -2.474 7.158 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -13.513 -1.168 6.844 1.00 0.00 H new ATOM 679 N PRO B 46 -14.898 -3.471 7.562 1.00 0.00 N ATOM 680 CA PRO B 46 -15.999 -4.415 7.654 1.00 0.00 C ATOM 681 C PRO B 46 -17.285 -3.801 7.095 1.00 0.00 C ATOM 682 O PRO B 46 -17.434 -2.580 7.057 1.00 0.00 O ATOM 683 CB PRO B 46 -16.132 -4.729 9.147 1.00 0.00 C ATOM 684 CG PRO B 46 -15.658 -3.437 9.811 1.00 0.00 C ATOM 685 CD PRO B 46 -14.543 -2.963 8.878 1.00 0.00 C ATOM 0 HA PRO B 46 -15.818 -5.318 7.071 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -17.160 -4.970 9.419 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -15.517 -5.581 9.437 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -16.461 -2.703 9.887 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -15.291 -3.613 10.822 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -14.471 -1.875 8.873 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -13.574 -3.345 9.198 1.00 0.00 H new ATOM 693 N ARG B 47 -18.220 -4.660 6.671 1.00 0.00 N ATOM 694 CA ARG B 47 -19.501 -4.250 6.109 1.00 0.00 C ATOM 695 C ARG B 47 -20.482 -3.915 7.236 1.00 0.00 C ATOM 696 O ARG B 47 -21.507 -4.577 7.393 1.00 0.00 O ATOM 697 CB ARG B 47 -20.042 -5.354 5.187 1.00 0.00 C ATOM 698 CG ARG B 47 -19.119 -5.589 3.983 1.00 0.00 C ATOM 699 CD ARG B 47 -19.681 -6.668 3.052 1.00 0.00 C ATOM 700 NE ARG B 47 -20.951 -6.250 2.441 1.00 0.00 N ATOM 701 CZ ARG B 47 -21.707 -7.019 1.641 1.00 0.00 C ATOM 702 NH1 ARG B 47 -21.326 -8.266 1.329 1.00 0.00 N ATOM 703 NH2 ARG B 47 -22.855 -6.534 1.148 1.00 0.00 N ATOM 0 H ARG B 47 -18.101 -5.672 6.712 1.00 0.00 H new ATOM 0 HA ARG B 47 -19.370 -3.350 5.508 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -20.147 -6.281 5.751 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -21.037 -5.080 4.835 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -18.995 -4.658 3.430 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -18.130 -5.887 4.333 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -18.955 -6.887 2.269 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -19.833 -7.590 3.613 1.00 0.00 H new ATOM 0 HE ARG B 47 -21.282 -5.306 2.639 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -20.453 -8.641 1.700 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -21.909 -8.840 0.720 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -23.150 -5.586 1.381 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -23.434 -7.113 0.540 1.00 0.00 H new ATOM 717 N GLY B 48 -20.163 -2.872 8.012 1.00 0.00 N ATOM 718 CA GLY B 48 -21.012 -2.366 9.078 1.00 0.00 C ATOM 719 C GLY B 48 -22.134 -1.508 8.489 1.00 0.00 C ATOM 720 O GLY B 48 -23.175 -2.077 8.166 1.00 0.00 O ATOM 0 H GLY B 48 -19.291 -2.353 7.909 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -21.436 -3.197 9.642 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -20.420 -1.775 9.777 1.00 0.00 H new ATOM 724 N PRO B 49 -21.931 -0.176 8.344 1.00 0.00 N ATOM 725 CA PRO B 49 -22.827 0.836 7.804 1.00 0.00 C ATOM 726 C PRO B 49 -24.271 0.420 7.963 1.00 0.00 C ATOM 727 O PRO B 49 -25.044 0.256 7.023 1.00 0.00 O ATOM 728 CB PRO B 49 -22.229 1.132 6.439 1.00 0.00 C ATOM 729 CG PRO B 49 -20.733 1.151 6.835 1.00 0.00 C ATOM 730 CD PRO B 49 -20.653 0.448 8.208 1.00 0.00 C ATOM 0 HA PRO B 49 -22.893 1.792 8.324 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -22.460 0.364 5.701 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -22.568 2.082 6.027 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -20.126 0.632 6.094 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -20.357 2.172 6.896 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -19.845 -0.283 8.237 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -20.467 1.160 9.012 1.00 0.00 H new ATOM 738 N ARG B 50 -24.509 0.229 9.262 1.00 0.00 N ATOM 739 CA ARG B 50 -25.596 -0.385 9.967 1.00 0.00 C ATOM 740 C ARG B 50 -26.287 -1.507 9.170 1.00 0.00 C ATOM 741 O ARG B 50 -27.087 -1.219 8.284 1.00 0.00 O ATOM 742 CB ARG B 50 -26.552 0.655 10.584 1.00 0.00 C ATOM 743 CG ARG B 50 -26.853 1.935 9.777 1.00 0.00 C ATOM 744 CD ARG B 50 -27.820 1.771 8.599 1.00 0.00 C ATOM 745 NE ARG B 50 -29.114 1.233 9.037 1.00 0.00 N ATOM 746 CZ ARG B 50 -30.152 0.956 8.232 1.00 0.00 C ATOM 747 NH1 ARG B 50 -30.058 1.120 6.905 1.00 0.00 N ATOM 748 NH2 ARG B 50 -31.296 0.513 8.769 1.00 0.00 N ATOM 0 H ARG B 50 -23.819 0.563 9.935 1.00 0.00 H new ATOM 0 HA ARG B 50 -25.161 -0.908 10.819 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -27.501 0.157 10.786 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -26.139 0.957 11.547 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -27.262 2.682 10.457 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -25.912 2.332 9.397 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -27.971 2.735 8.114 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -27.381 1.105 7.856 1.00 0.00 H new ATOM 0 HE ARG B 50 -29.234 1.055 10.034 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -29.189 1.460 6.493 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -30.856 0.905 6.307 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -31.371 0.390 9.779 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -32.092 0.299 8.168 1.00 0.00 H new ATOM 762 N PRO B 51 -25.991 -2.791 9.461 1.00 0.00 N ATOM 763 CA PRO B 51 -26.413 -3.922 8.644 1.00 0.00 C ATOM 764 C PRO B 51 -27.886 -4.264 8.899 1.00 0.00 C ATOM 765 O PRO B 51 -28.209 -5.251 9.559 1.00 0.00 O ATOM 766 CB PRO B 51 -25.459 -5.058 9.023 1.00 0.00 C ATOM 767 CG PRO B 51 -25.178 -4.783 10.498 1.00 0.00 C ATOM 768 CD PRO B 51 -25.147 -3.255 10.555 1.00 0.00 C ATOM 0 HA PRO B 51 -26.360 -3.715 7.575 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -25.915 -6.037 8.873 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -24.547 -5.037 8.426 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -25.954 -5.197 11.142 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -24.232 -5.219 10.818 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -25.519 -2.893 11.514 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -24.129 -2.882 10.447 1.00 0.00 H new ATOM 776 N GLN B 52 -28.777 -3.430 8.357 1.00 0.00 N ATOM 777 CA GLN B 52 -30.224 -3.546 8.446 1.00 0.00 C ATOM 778 C GLN B 52 -30.797 -2.703 7.299 1.00 0.00 C ATOM 779 O GLN B 52 -30.104 -1.828 6.780 1.00 0.00 O ATOM 780 CB GLN B 52 -30.679 -3.070 9.841 1.00 0.00 C ATOM 781 CG GLN B 52 -31.991 -3.699 10.336 1.00 0.00 C ATOM 782 CD GLN B 52 -33.225 -3.176 9.610 1.00 0.00 C ATOM 783 OE1 GLN B 52 -33.869 -3.914 8.868 1.00 0.00 O ATOM 784 NE2 GLN B 52 -33.548 -1.898 9.810 1.00 0.00 N ATOM 0 H GLN B 52 -28.487 -2.615 7.817 1.00 0.00 H new ATOM 0 HA GLN B 52 -30.581 -4.571 8.342 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -29.891 -3.292 10.561 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -30.796 -1.987 9.820 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -31.936 -4.780 10.211 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -32.098 -3.506 11.403 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -32.985 -1.321 10.435 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -34.358 -1.497 9.338 1.00 0.00 H new ATOM 793 N THR B 53 -32.037 -2.977 6.881 1.00 0.00 N ATOM 794 CA THR B 53 -32.718 -2.253 5.814 1.00 0.00 C ATOM 795 C THR B 53 -32.811 -0.765 6.166 1.00 0.00 C ATOM 796 O THR B 53 -32.217 0.044 5.420 1.00 0.00 O ATOM 797 CB THR B 53 -34.111 -2.862 5.585 1.00 0.00 C ATOM 798 OG1 THR B 53 -34.004 -4.257 5.387 1.00 0.00 O ATOM 799 CG2 THR B 53 -34.792 -2.246 4.358 1.00 0.00 C ATOM 800 OXT THR B 53 -33.442 -0.455 7.200 1.00 0.00 O ATOM 0 H THR B 53 -32.602 -3.723 7.286 1.00 0.00 H new ATOM 0 HA THR B 53 -32.149 -2.343 4.889 1.00 0.00 H new ATOM 0 HB THR B 53 -34.712 -2.651 6.470 1.00 0.00 H new ATOM 0 HG1 THR B 53 -34.896 -4.636 5.244 1.00 0.00 H new ATOM 0 HG21 THR B 53 -35.775 -2.697 4.223 1.00 0.00 H new ATOM 0 HG22 THR B 53 -34.903 -1.172 4.505 1.00 0.00 H new ATOM 0 HG23 THR B 53 -34.183 -2.430 3.473 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.681 -0.329 -3.427 1.00 0.00 ZN