USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 34 HIS HE2 : B 34 HIS NE2 : B 55 ZNZN :(H bumps) USER MOD Single : A 1 DA O5' : rot 86:sc= 0.639 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0.00197 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 25 GLN : amide:sc= -0.126 K(o=-0.13,f=-4.1!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 178:sc= 0.614 (180deg=0.602) USER MOD Single : B 32 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0542) USER MOD Single : B 37 LYS NZ :NH3+ 169:sc= 0.909 (180deg=0.857) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ 173:sc= 0.609 (180deg=0.567) USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 THR OG1 : rot -34:sc= 0.95 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.972 -7.173 1.530 1.00 0.00 O ATOM 2 C5' DA A 1 2.186 -7.409 2.210 1.00 0.00 C ATOM 3 C4' DA A 1 2.117 -6.953 3.676 1.00 0.00 C ATOM 4 O4' DA A 1 3.434 -7.000 4.224 1.00 0.00 O ATOM 5 C3' DA A 1 1.621 -5.519 3.868 1.00 0.00 C ATOM 6 O3' DA A 1 1.186 -5.356 5.212 1.00 0.00 O ATOM 7 C2' DA A 1 2.943 -4.819 3.644 1.00 0.00 C ATOM 8 C1' DA A 1 3.830 -5.674 4.534 1.00 0.00 C ATOM 9 N9 DA A 1 5.274 -5.429 4.337 1.00 0.00 N ATOM 10 C8 DA A 1 5.920 -4.892 3.255 1.00 0.00 C ATOM 11 N7 DA A 1 7.214 -4.796 3.388 1.00 0.00 N ATOM 12 C5 DA A 1 7.441 -5.268 4.675 1.00 0.00 C ATOM 13 C6 DA A 1 8.597 -5.352 5.479 1.00 0.00 C ATOM 14 N6 DA A 1 9.802 -4.938 5.068 1.00 0.00 N ATOM 15 N1 DA A 1 8.481 -5.862 6.720 1.00 0.00 N ATOM 16 C2 DA A 1 7.278 -6.237 7.153 1.00 0.00 C ATOM 17 N3 DA A 1 6.114 -6.180 6.511 1.00 0.00 N ATOM 18 C4 DA A 1 6.264 -5.669 5.259 1.00 0.00 C ATOM 0 H5' DA A 1 2.995 -6.882 1.703 1.00 0.00 H new ATOM 0 H5'' DA A 1 2.424 -8.472 2.171 1.00 0.00 H new ATOM 0 H4' DA A 1 1.409 -7.622 4.165 1.00 0.00 H new ATOM 0 H3' DA A 1 0.792 -5.184 3.244 1.00 0.00 H new ATOM 0 H2' DA A 1 3.255 -4.837 2.600 1.00 0.00 H new ATOM 0 H2'' DA A 1 2.922 -3.774 3.953 1.00 0.00 H new ATOM 0 HO5' DA A 1 0.962 -6.255 1.188 1.00 0.00 H new ATOM 0 H1' DA A 1 3.701 -5.441 5.591 1.00 0.00 H new ATOM 0 H8 DA A 1 5.400 -4.574 2.364 1.00 0.00 H new ATOM 0 H61 DA A 1 10.608 -5.020 5.687 1.00 0.00 H new ATOM 0 H62 DA A 1 9.914 -4.540 4.135 1.00 0.00 H new ATOM 0 H2 DA A 1 7.243 -6.639 8.155 1.00 0.00 H new ATOM 31 P DC A 2 -0.347 -5.054 5.602 1.00 0.00 P ATOM 32 OP1 DC A 2 -0.522 -5.258 7.056 1.00 0.00 O ATOM 33 OP2 DC A 2 -1.226 -5.782 4.661 1.00 0.00 O ATOM 34 O5' DC A 2 -0.454 -3.470 5.286 1.00 0.00 O ATOM 35 C5' DC A 2 -0.116 -2.468 6.237 1.00 0.00 C ATOM 36 C4' DC A 2 1.292 -2.635 6.829 1.00 0.00 C ATOM 37 O4' DC A 2 2.305 -2.608 5.847 1.00 0.00 O ATOM 38 C3' DC A 2 1.684 -1.515 7.796 1.00 0.00 C ATOM 39 O3' DC A 2 1.411 -1.901 9.131 1.00 0.00 O ATOM 40 C2' DC A 2 3.190 -1.373 7.540 1.00 0.00 C ATOM 41 C1' DC A 2 3.508 -2.512 6.579 1.00 0.00 C ATOM 42 N1 DC A 2 4.733 -2.230 5.786 1.00 0.00 N ATOM 43 C2 DC A 2 5.973 -2.495 6.374 1.00 0.00 C ATOM 44 O2 DC A 2 6.050 -2.923 7.524 1.00 0.00 O ATOM 45 N3 DC A 2 7.102 -2.281 5.640 1.00 0.00 N ATOM 46 C4 DC A 2 7.033 -1.838 4.377 1.00 0.00 C ATOM 47 N4 DC A 2 8.169 -1.657 3.695 1.00 0.00 N ATOM 48 C5 DC A 2 5.769 -1.554 3.757 1.00 0.00 C ATOM 49 C6 DC A 2 4.658 -1.734 4.512 1.00 0.00 C ATOM 0 H5' DC A 2 -0.846 -2.485 7.046 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.188 -1.489 5.763 1.00 0.00 H new ATOM 0 H4' DC A 2 1.227 -3.599 7.333 1.00 0.00 H new ATOM 0 H3' DC A 2 1.139 -0.583 7.649 1.00 0.00 H new ATOM 0 H2' DC A 2 3.431 -0.404 7.104 1.00 0.00 H new ATOM 0 H2'' DC A 2 3.762 -1.458 8.464 1.00 0.00 H new ATOM 0 H1' DC A 2 3.767 -3.465 7.041 1.00 0.00 H new ATOM 0 H41 DC A 2 8.138 -1.321 2.733 1.00 0.00 H new ATOM 0 H42 DC A 2 9.066 -1.855 4.137 1.00 0.00 H new ATOM 0 H5 DC A 2 5.707 -1.212 2.734 1.00 0.00 H new ATOM 0 H6 DC A 2 3.692 -1.481 4.100 1.00 0.00 H new ATOM 61 P DG A 3 1.072 -0.813 10.275 1.00 0.00 P ATOM 62 OP1 DG A 3 1.083 -1.499 11.586 1.00 0.00 O ATOM 63 OP2 DG A 3 -0.133 -0.067 9.846 1.00 0.00 O ATOM 64 O5' DG A 3 2.347 0.175 10.213 1.00 0.00 O ATOM 65 C5' DG A 3 2.201 1.582 10.257 1.00 0.00 C ATOM 66 C4' DG A 3 3.525 2.248 9.865 1.00 0.00 C ATOM 67 O4' DG A 3 3.875 1.736 8.589 1.00 0.00 O ATOM 68 C3' DG A 3 3.317 3.763 9.715 1.00 0.00 C ATOM 69 O3' DG A 3 4.399 4.611 10.100 1.00 0.00 O ATOM 70 C2' DG A 3 2.925 3.896 8.255 1.00 0.00 C ATOM 71 C1' DG A 3 3.663 2.724 7.602 1.00 0.00 C ATOM 72 N9 DG A 3 2.983 2.159 6.408 1.00 0.00 N ATOM 73 C8 DG A 3 1.653 1.913 6.167 1.00 0.00 C ATOM 74 N7 DG A 3 1.396 1.510 4.950 1.00 0.00 N ATOM 75 C5 DG A 3 2.645 1.464 4.340 1.00 0.00 C ATOM 76 C6 DG A 3 3.017 1.161 2.992 1.00 0.00 C ATOM 77 O6 DG A 3 2.285 0.890 2.042 1.00 0.00 O ATOM 78 N1 DG A 3 4.395 1.226 2.794 1.00 0.00 N ATOM 79 C2 DG A 3 5.310 1.507 3.794 1.00 0.00 C ATOM 80 N2 DG A 3 6.604 1.468 3.481 1.00 0.00 N ATOM 81 N3 DG A 3 4.965 1.800 5.052 1.00 0.00 N ATOM 82 C4 DG A 3 3.622 1.791 5.251 1.00 0.00 C ATOM 0 H5' DG A 3 1.907 1.896 11.258 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.409 1.897 9.578 1.00 0.00 H new ATOM 0 H4' DG A 3 4.289 2.054 10.618 1.00 0.00 H new ATOM 0 H3' DG A 3 2.566 4.123 10.418 1.00 0.00 H new ATOM 0 H2' DG A 3 1.846 3.823 8.117 1.00 0.00 H new ATOM 0 H2'' DG A 3 3.236 4.854 7.838 1.00 0.00 H new ATOM 0 H1' DG A 3 4.610 3.101 7.216 1.00 0.00 H new ATOM 0 H8 DG A 3 0.887 2.041 6.917 1.00 0.00 H new ATOM 0 H1 DG A 3 4.752 1.056 1.854 1.00 0.00 H new ATOM 0 H21 DG A 3 7.307 1.669 4.192 1.00 0.00 H new ATOM 0 H22 DG A 3 6.892 1.237 2.530 1.00 0.00 H new ATOM 94 P DC A 4 5.919 4.587 9.514 1.00 0.00 P ATOM 95 OP1 DC A 4 6.309 3.185 9.247 1.00 0.00 O ATOM 96 OP2 DC A 4 6.731 5.385 10.459 1.00 0.00 O ATOM 97 O5' DC A 4 5.934 5.391 8.098 1.00 0.00 O ATOM 98 C5' DC A 4 7.096 5.336 7.280 1.00 0.00 C ATOM 99 C4' DC A 4 7.246 6.431 6.209 1.00 0.00 C ATOM 100 O4' DC A 4 6.398 6.268 5.090 1.00 0.00 O ATOM 101 C3' DC A 4 7.070 7.874 6.696 1.00 0.00 C ATOM 102 O3' DC A 4 8.224 8.658 6.412 1.00 0.00 O ATOM 103 C2' DC A 4 5.913 8.369 5.821 1.00 0.00 C ATOM 104 C1' DC A 4 6.159 7.552 4.551 1.00 0.00 C ATOM 105 N1 DC A 4 5.116 7.544 3.475 1.00 0.00 N ATOM 106 C2 DC A 4 5.542 7.229 2.177 1.00 0.00 C ATOM 107 O2 DC A 4 6.727 7.026 1.929 1.00 0.00 O ATOM 108 N3 DC A 4 4.620 7.135 1.180 1.00 0.00 N ATOM 109 C4 DC A 4 3.319 7.329 1.417 1.00 0.00 C ATOM 110 N4 DC A 4 2.457 7.186 0.405 1.00 0.00 N ATOM 111 C5 DC A 4 2.849 7.669 2.730 1.00 0.00 C ATOM 112 C6 DC A 4 3.779 7.781 3.715 1.00 0.00 C ATOM 0 H5' DC A 4 7.113 4.368 6.780 1.00 0.00 H new ATOM 0 H5'' DC A 4 7.970 5.375 7.930 1.00 0.00 H new ATOM 0 H4' DC A 4 8.288 6.284 5.924 1.00 0.00 H new ATOM 0 H3' DC A 4 6.902 7.941 7.771 1.00 0.00 H new ATOM 0 H2' DC A 4 4.939 8.163 6.265 1.00 0.00 H new ATOM 0 H2'' DC A 4 5.960 9.443 5.639 1.00 0.00 H new ATOM 0 H1' DC A 4 6.967 7.999 3.971 1.00 0.00 H new ATOM 0 H41 DC A 4 1.459 7.329 0.561 1.00 0.00 H new ATOM 0 H42 DC A 4 2.797 6.934 -0.523 1.00 0.00 H new ATOM 0 H5 DC A 4 1.799 7.829 2.927 1.00 0.00 H new ATOM 0 H6 DC A 4 3.463 8.062 4.709 1.00 0.00 H new ATOM 124 P DC A 5 9.683 8.367 7.059 1.00 0.00 P ATOM 125 OP1 DC A 5 10.589 7.916 5.976 1.00 0.00 O ATOM 126 OP2 DC A 5 9.507 7.513 8.253 1.00 0.00 O ATOM 127 O5' DC A 5 10.185 9.817 7.569 1.00 0.00 O ATOM 128 C5' DC A 5 10.243 10.947 6.713 1.00 0.00 C ATOM 129 C4' DC A 5 9.169 11.966 7.114 1.00 0.00 C ATOM 130 O4' DC A 5 7.884 11.381 7.037 1.00 0.00 O ATOM 131 C3' DC A 5 9.336 12.479 8.545 1.00 0.00 C ATOM 132 O3' DC A 5 10.174 13.614 8.601 1.00 0.00 O ATOM 133 C2' DC A 5 7.903 12.829 8.926 1.00 0.00 C ATOM 134 C1' DC A 5 7.044 11.913 8.044 1.00 0.00 C ATOM 135 N1 DC A 5 6.431 10.772 8.788 1.00 0.00 N ATOM 136 C2 DC A 5 5.065 10.510 8.623 1.00 0.00 C ATOM 137 O2 DC A 5 4.360 11.213 7.902 1.00 0.00 O ATOM 138 N3 DC A 5 4.521 9.442 9.276 1.00 0.00 N ATOM 139 C4 DC A 5 5.268 8.648 10.057 1.00 0.00 C ATOM 140 N4 DC A 5 4.689 7.601 10.651 1.00 0.00 N ATOM 141 C5 DC A 5 6.667 8.901 10.250 1.00 0.00 C ATOM 142 C6 DC A 5 7.196 9.962 9.596 1.00 0.00 C ATOM 0 H5' DC A 5 10.094 10.638 5.679 1.00 0.00 H new ATOM 0 H5'' DC A 5 11.230 11.406 6.769 1.00 0.00 H new ATOM 0 H4' DC A 5 9.280 12.798 6.419 1.00 0.00 H new ATOM 0 H3' DC A 5 9.807 11.758 9.212 1.00 0.00 H new ATOM 0 H2' DC A 5 7.718 12.650 9.985 1.00 0.00 H new ATOM 0 H2'' DC A 5 7.686 13.881 8.738 1.00 0.00 H new ATOM 0 HO3' DC A 5 10.256 13.915 9.530 1.00 0.00 H new ATOM 0 H1' DC A 5 6.225 12.512 7.646 1.00 0.00 H new ATOM 0 H41 DC A 5 5.240 6.985 11.249 1.00 0.00 H new ATOM 0 H42 DC A 5 3.696 7.418 10.507 1.00 0.00 H new ATOM 0 H5 DC A 5 7.271 8.273 10.888 1.00 0.00 H new ATOM 0 H6 DC A 5 8.248 10.179 9.712 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 11.553 10.031 -0.339 1.00 0.00 N ATOM 157 CA GLY B 14 11.254 8.634 -0.688 1.00 0.00 C ATOM 158 C GLY B 14 12.464 7.733 -0.474 1.00 0.00 C ATOM 159 O GLY B 14 12.640 7.185 0.613 1.00 0.00 O ATOM 0 HA2 GLY B 14 10.421 8.277 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY B 14 10.937 8.578 -1.729 1.00 0.00 H new ATOM 165 N GLU B 15 13.306 7.616 -1.509 1.00 0.00 N ATOM 166 CA GLU B 15 14.589 6.927 -1.468 1.00 0.00 C ATOM 167 C GLU B 15 14.411 5.498 -0.949 1.00 0.00 C ATOM 168 O GLU B 15 15.031 5.106 0.039 1.00 0.00 O ATOM 169 CB GLU B 15 15.618 7.728 -0.648 1.00 0.00 C ATOM 170 CG GLU B 15 15.844 9.155 -1.174 1.00 0.00 C ATOM 171 CD GLU B 15 14.692 10.098 -0.834 1.00 0.00 C ATOM 172 OE1 GLU B 15 14.501 10.360 0.373 1.00 0.00 O ATOM 173 OE2 GLU B 15 13.977 10.503 -1.777 1.00 0.00 O ATOM 0 H GLU B 15 13.100 8.014 -2.425 1.00 0.00 H new ATOM 0 HA GLU B 15 14.984 6.856 -2.481 1.00 0.00 H new ATOM 0 HB2 GLU B 15 15.284 7.780 0.388 1.00 0.00 H new ATOM 0 HB3 GLU B 15 16.568 7.194 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU B 15 16.768 9.551 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU B 15 15.974 9.123 -2.256 1.00 0.00 H new ATOM 180 N ARG B 16 13.526 4.740 -1.606 1.00 0.00 N ATOM 181 CA ARG B 16 13.163 3.386 -1.220 1.00 0.00 C ATOM 182 C ARG B 16 14.377 2.457 -1.120 1.00 0.00 C ATOM 183 O ARG B 16 15.355 2.622 -1.849 1.00 0.00 O ATOM 184 CB ARG B 16 12.104 2.816 -2.172 1.00 0.00 C ATOM 185 CG ARG B 16 12.454 2.820 -3.667 1.00 0.00 C ATOM 186 CD ARG B 16 12.140 4.142 -4.385 1.00 0.00 C ATOM 187 NE ARG B 16 11.852 3.916 -5.809 1.00 0.00 N ATOM 188 CZ ARG B 16 10.714 3.379 -6.283 1.00 0.00 C ATOM 189 NH1 ARG B 16 9.708 3.062 -5.457 1.00 0.00 N ATOM 190 NH2 ARG B 16 10.581 3.149 -7.596 1.00 0.00 N ATOM 0 H ARG B 16 13.035 5.065 -2.439 1.00 0.00 H new ATOM 0 HA ARG B 16 12.734 3.443 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG B 16 11.894 1.789 -1.873 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.183 3.382 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG B 16 13.516 2.601 -3.780 1.00 0.00 H new ATOM 0 HG3 ARG B 16 11.908 2.014 -4.158 1.00 0.00 H new ATOM 0 HD2 ARG B 16 11.285 4.623 -3.910 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.985 4.823 -4.285 1.00 0.00 H new ATOM 0 HE ARG B 16 12.566 4.186 -6.485 1.00 0.00 H new ATOM 0 HH11 ARG B 16 9.800 3.227 -4.455 1.00 0.00 H new ATOM 0 HH12 ARG B 16 8.850 2.655 -5.830 1.00 0.00 H new ATOM 0 HH21 ARG B 16 11.342 3.381 -8.234 1.00 0.00 H new ATOM 0 HH22 ARG B 16 9.719 2.742 -7.958 1.00 0.00 H new ATOM 204 N ARG B 17 14.306 1.488 -0.200 1.00 0.00 N ATOM 205 CA ARG B 17 15.368 0.525 0.041 1.00 0.00 C ATOM 206 C ARG B 17 15.348 -0.523 -1.076 1.00 0.00 C ATOM 207 O ARG B 17 16.319 -0.661 -1.817 1.00 0.00 O ATOM 208 CB ARG B 17 15.234 -0.128 1.430 1.00 0.00 C ATOM 209 CG ARG B 17 14.784 0.795 2.574 1.00 0.00 C ATOM 210 CD ARG B 17 15.610 2.082 2.735 1.00 0.00 C ATOM 211 NE ARG B 17 14.890 3.274 2.257 1.00 0.00 N ATOM 212 CZ ARG B 17 13.830 3.837 2.862 1.00 0.00 C ATOM 213 NH1 ARG B 17 13.319 3.306 3.982 1.00 0.00 N ATOM 214 NH2 ARG B 17 13.280 4.941 2.344 1.00 0.00 N ATOM 0 H ARG B 17 13.494 1.355 0.403 1.00 0.00 H new ATOM 0 HA ARG B 17 16.328 1.040 0.033 1.00 0.00 H new ATOM 0 HB2 ARG B 17 14.523 -0.951 1.354 1.00 0.00 H new ATOM 0 HB3 ARG B 17 16.197 -0.562 1.699 1.00 0.00 H new ATOM 0 HG2 ARG B 17 13.742 1.068 2.411 1.00 0.00 H new ATOM 0 HG3 ARG B 17 14.825 0.236 3.509 1.00 0.00 H new ATOM 0 HD2 ARG B 17 15.870 2.215 3.785 1.00 0.00 H new ATOM 0 HD3 ARG B 17 16.546 1.981 2.185 1.00 0.00 H new ATOM 0 HE ARG B 17 15.223 3.708 1.396 1.00 0.00 H new ATOM 0 HH11 ARG B 17 13.735 2.466 4.384 1.00 0.00 H new ATOM 0 HH12 ARG B 17 12.514 3.742 4.432 1.00 0.00 H new ATOM 0 HH21 ARG B 17 13.665 5.352 1.494 1.00 0.00 H new ATOM 0 HH22 ARG B 17 12.475 5.372 2.799 1.00 0.00 H new ATOM 228 N ARG B 18 14.221 -1.235 -1.210 1.00 0.00 N ATOM 229 CA ARG B 18 13.946 -2.129 -2.327 1.00 0.00 C ATOM 230 C ARG B 18 13.615 -1.298 -3.571 1.00 0.00 C ATOM 231 O ARG B 18 13.401 -0.090 -3.483 1.00 0.00 O ATOM 232 CB ARG B 18 12.742 -3.020 -1.990 1.00 0.00 C ATOM 233 CG ARG B 18 12.924 -3.916 -0.758 1.00 0.00 C ATOM 234 CD ARG B 18 11.540 -4.399 -0.311 1.00 0.00 C ATOM 235 NE ARG B 18 11.618 -5.362 0.795 1.00 0.00 N ATOM 236 CZ ARG B 18 10.607 -5.658 1.631 1.00 0.00 C ATOM 237 NH1 ARG B 18 9.417 -5.051 1.517 1.00 0.00 N ATOM 238 NH2 ARG B 18 10.792 -6.571 2.593 1.00 0.00 N ATOM 0 H ARG B 18 13.464 -1.200 -0.527 1.00 0.00 H new ATOM 0 HA ARG B 18 14.822 -2.750 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG B 18 11.871 -2.384 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG B 18 12.524 -3.652 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG B 18 13.565 -4.765 -0.996 1.00 0.00 H new ATOM 0 HG3 ARG B 18 13.412 -3.364 0.045 1.00 0.00 H new ATOM 0 HD2 ARG B 18 10.940 -3.542 -0.003 1.00 0.00 H new ATOM 0 HD3 ARG B 18 11.028 -4.859 -1.156 1.00 0.00 H new ATOM 0 HE ARG B 18 12.506 -5.843 0.940 1.00 0.00 H new ATOM 0 HH11 ARG B 18 9.268 -4.353 0.788 1.00 0.00 H new ATOM 0 HH12 ARG B 18 8.661 -5.287 2.159 1.00 0.00 H new ATOM 0 HH21 ARG B 18 11.695 -7.036 2.688 1.00 0.00 H new ATOM 0 HH22 ARG B 18 10.030 -6.801 3.231 1.00 0.00 H new ATOM 252 N SER B 19 13.526 -1.959 -4.730 1.00 0.00 N ATOM 253 CA SER B 19 13.052 -1.355 -5.964 1.00 0.00 C ATOM 254 C SER B 19 11.560 -1.021 -5.854 1.00 0.00 C ATOM 255 O SER B 19 11.155 0.107 -6.132 1.00 0.00 O ATOM 256 CB SER B 19 13.328 -2.324 -7.118 1.00 0.00 C ATOM 257 OG SER B 19 12.806 -3.606 -6.829 1.00 0.00 O ATOM 0 H SER B 19 13.786 -2.940 -4.831 1.00 0.00 H new ATOM 0 HA SER B 19 13.578 -0.419 -6.153 1.00 0.00 H new ATOM 0 HB2 SER B 19 12.880 -1.942 -8.035 1.00 0.00 H new ATOM 0 HB3 SER B 19 14.402 -2.394 -7.292 1.00 0.00 H new ATOM 0 HG SER B 19 12.990 -4.211 -7.578 1.00 0.00 H new ATOM 263 N GLN B 20 10.757 -2.014 -5.450 1.00 0.00 N ATOM 264 CA GLN B 20 9.314 -1.916 -5.276 1.00 0.00 C ATOM 265 C GLN B 20 8.914 -2.473 -3.908 1.00 0.00 C ATOM 266 O GLN B 20 9.737 -3.069 -3.215 1.00 0.00 O ATOM 267 CB GLN B 20 8.606 -2.683 -6.401 1.00 0.00 C ATOM 268 CG GLN B 20 8.877 -2.053 -7.775 1.00 0.00 C ATOM 269 CD GLN B 20 8.038 -2.688 -8.883 1.00 0.00 C ATOM 270 OE1 GLN B 20 7.108 -3.448 -8.620 1.00 0.00 O ATOM 271 NE2 GLN B 20 8.363 -2.371 -10.138 1.00 0.00 N ATOM 0 H GLN B 20 11.116 -2.943 -5.228 1.00 0.00 H new ATOM 0 HA GLN B 20 9.013 -0.869 -5.323 1.00 0.00 H new ATOM 0 HB2 GLN B 20 8.943 -3.720 -6.403 1.00 0.00 H new ATOM 0 HB3 GLN B 20 7.533 -2.697 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN B 20 8.665 -0.985 -7.730 1.00 0.00 H new ATOM 0 HG3 GLN B 20 9.934 -2.159 -8.018 1.00 0.00 H new ATOM 0 HE21 GLN B 20 9.141 -1.737 -10.319 1.00 0.00 H new ATOM 0 HE22 GLN B 20 7.833 -2.763 -10.917 1.00 0.00 H new ATOM 280 N LEU B 21 7.641 -2.287 -3.530 1.00 0.00 N ATOM 281 CA LEU B 21 7.067 -2.753 -2.285 1.00 0.00 C ATOM 282 C LEU B 21 7.888 -2.279 -1.083 1.00 0.00 C ATOM 283 O LEU B 21 8.461 -3.083 -0.350 1.00 0.00 O ATOM 284 CB LEU B 21 6.862 -4.276 -2.374 1.00 0.00 C ATOM 285 CG LEU B 21 5.526 -4.652 -1.737 1.00 0.00 C ATOM 286 CD1 LEU B 21 5.157 -6.104 -2.051 1.00 0.00 C ATOM 287 CD2 LEU B 21 5.558 -4.475 -0.218 1.00 0.00 C ATOM 0 H LEU B 21 6.969 -1.788 -4.113 1.00 0.00 H new ATOM 0 HA LEU B 21 6.083 -2.313 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU B 21 6.882 -4.595 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU B 21 7.676 -4.793 -1.866 1.00 0.00 H new ATOM 0 HG LEU B 21 4.778 -3.982 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU B 21 4.201 -6.345 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU B 21 5.078 -6.234 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU B 21 5.929 -6.768 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU B 21 4.591 -4.752 0.201 1.00 0.00 H new ATOM 0 HD22 LEU B 21 6.333 -5.113 0.206 1.00 0.00 H new ATOM 0 HD23 LEU B 21 5.773 -3.434 0.023 1.00 0.00 H new ATOM 299 N ASP B 22 7.950 -0.955 -0.906 1.00 0.00 N ATOM 300 CA ASP B 22 8.841 -0.306 0.044 1.00 0.00 C ATOM 301 C ASP B 22 8.175 0.964 0.585 1.00 0.00 C ATOM 302 O ASP B 22 6.948 1.049 0.611 1.00 0.00 O ATOM 303 CB ASP B 22 10.168 -0.019 -0.673 1.00 0.00 C ATOM 304 CG ASP B 22 11.355 0.054 0.288 1.00 0.00 C ATOM 305 OD1 ASP B 22 11.944 -1.014 0.554 1.00 0.00 O ATOM 306 OD2 ASP B 22 11.659 1.178 0.744 1.00 0.00 O ATOM 0 H ASP B 22 7.371 -0.299 -1.430 1.00 0.00 H new ATOM 0 HA ASP B 22 9.046 -0.944 0.903 1.00 0.00 H new ATOM 0 HB2 ASP B 22 10.352 -0.798 -1.413 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.087 0.923 -1.215 1.00 0.00 H new ATOM 311 N ARG B 23 8.993 1.932 1.023 1.00 0.00 N ATOM 312 CA ARG B 23 8.638 3.227 1.579 1.00 0.00 C ATOM 313 C ARG B 23 7.469 3.867 0.827 1.00 0.00 C ATOM 314 O ARG B 23 6.353 3.884 1.334 1.00 0.00 O ATOM 315 CB ARG B 23 9.908 4.098 1.591 1.00 0.00 C ATOM 316 CG ARG B 23 9.667 5.558 1.986 1.00 0.00 C ATOM 317 CD ARG B 23 9.175 5.750 3.417 1.00 0.00 C ATOM 318 NE ARG B 23 10.239 5.625 4.423 1.00 0.00 N ATOM 319 CZ ARG B 23 10.330 4.669 5.361 1.00 0.00 C ATOM 320 NH1 ARG B 23 9.688 3.500 5.232 1.00 0.00 N ATOM 321 NH2 ARG B 23 11.069 4.908 6.451 1.00 0.00 N ATOM 0 H ARG B 23 10.005 1.809 0.990 1.00 0.00 H new ATOM 0 HA ARG B 23 8.278 3.117 2.602 1.00 0.00 H new ATOM 0 HB2 ARG B 23 10.628 3.661 2.283 1.00 0.00 H new ATOM 0 HB3 ARG B 23 10.362 4.072 0.600 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.595 6.115 1.856 1.00 0.00 H new ATOM 0 HG3 ARG B 23 8.937 5.991 1.302 1.00 0.00 H new ATOM 0 HD2 ARG B 23 8.715 6.734 3.506 1.00 0.00 H new ATOM 0 HD3 ARG B 23 8.398 5.015 3.628 1.00 0.00 H new ATOM 0 HE ARG B 23 10.976 6.330 4.407 1.00 0.00 H new ATOM 0 HH11 ARG B 23 9.115 3.321 4.407 1.00 0.00 H new ATOM 0 HH12 ARG B 23 9.773 2.789 5.958 1.00 0.00 H new ATOM 0 HH21 ARG B 23 11.549 5.802 6.556 1.00 0.00 H new ATOM 0 HH22 ARG B 23 11.152 4.196 7.177 1.00 0.00 H new ATOM 335 N ASP B 24 7.738 4.397 -0.366 1.00 0.00 N ATOM 336 CA ASP B 24 6.816 5.169 -1.182 1.00 0.00 C ATOM 337 C ASP B 24 5.579 4.376 -1.611 1.00 0.00 C ATOM 338 O ASP B 24 4.456 4.845 -1.441 1.00 0.00 O ATOM 339 CB ASP B 24 7.572 5.659 -2.425 1.00 0.00 C ATOM 340 CG ASP B 24 8.770 6.529 -2.056 1.00 0.00 C ATOM 341 OD1 ASP B 24 9.842 5.940 -1.790 1.00 0.00 O ATOM 342 OD2 ASP B 24 8.589 7.765 -2.038 1.00 0.00 O ATOM 0 H ASP B 24 8.652 4.291 -0.807 1.00 0.00 H new ATOM 0 HA ASP B 24 6.453 6.001 -0.579 1.00 0.00 H new ATOM 0 HB2 ASP B 24 7.911 4.801 -3.005 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.894 6.226 -3.062 1.00 0.00 H new ATOM 347 N GLN B 25 5.794 3.199 -2.210 1.00 0.00 N ATOM 348 CA GLN B 25 4.749 2.440 -2.886 1.00 0.00 C ATOM 349 C GLN B 25 3.723 1.802 -1.950 1.00 0.00 C ATOM 350 O GLN B 25 3.990 1.578 -0.770 1.00 0.00 O ATOM 351 CB GLN B 25 5.369 1.346 -3.762 1.00 0.00 C ATOM 352 CG GLN B 25 6.603 1.821 -4.541 1.00 0.00 C ATOM 353 CD GLN B 25 6.896 0.977 -5.784 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.618 1.426 -6.672 1.00 0.00 O ATOM 355 NE2 GLN B 25 6.355 -0.241 -5.857 1.00 0.00 N ATOM 0 H GLN B 25 6.708 2.747 -2.236 1.00 0.00 H new ATOM 0 HA GLN B 25 4.211 3.171 -3.490 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.648 0.501 -3.133 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.619 0.986 -4.466 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.457 2.859 -4.841 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.471 1.798 -3.882 1.00 0.00 H new ATOM 0 HE21 GLN B 25 5.761 -0.581 -5.101 1.00 0.00 H new ATOM 0 HE22 GLN B 25 6.536 -0.832 -6.669 1.00 0.00 H new ATOM 364 N CYS B 26 2.562 1.458 -2.526 1.00 0.00 N ATOM 365 CA CYS B 26 1.544 0.649 -1.876 1.00 0.00 C ATOM 366 C CYS B 26 2.074 -0.765 -1.676 1.00 0.00 C ATOM 367 O CYS B 26 2.425 -1.449 -2.636 1.00 0.00 O ATOM 368 CB CYS B 26 0.253 0.619 -2.700 1.00 0.00 C ATOM 369 SG CYS B 26 -0.957 -0.575 -2.061 1.00 0.00 S ATOM 0 H CYS B 26 2.309 1.743 -3.472 1.00 0.00 H new ATOM 0 HA CYS B 26 1.311 1.093 -0.908 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.193 1.614 -2.706 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.492 0.370 -3.734 1.00 0.00 H new ATOM 374 N ALA B 27 2.122 -1.199 -0.417 1.00 0.00 N ATOM 375 CA ALA B 27 2.700 -2.469 -0.024 1.00 0.00 C ATOM 376 C ALA B 27 1.715 -3.629 -0.174 1.00 0.00 C ATOM 377 O ALA B 27 1.545 -4.435 0.739 1.00 0.00 O ATOM 378 CB ALA B 27 3.170 -2.338 1.415 1.00 0.00 C ATOM 0 H ALA B 27 1.752 -0.663 0.368 1.00 0.00 H new ATOM 0 HA ALA B 27 3.537 -2.701 -0.683 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.611 -3.280 1.741 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.915 -1.545 1.484 1.00 0.00 H new ATOM 0 HB3 ALA B 27 2.321 -2.094 2.054 1.00 0.00 H new ATOM 384 N TYR B 28 1.055 -3.715 -1.328 1.00 0.00 N ATOM 385 CA TYR B 28 0.011 -4.694 -1.569 1.00 0.00 C ATOM 386 C TYR B 28 -0.127 -4.858 -3.071 1.00 0.00 C ATOM 387 O TYR B 28 -0.045 -5.963 -3.605 1.00 0.00 O ATOM 388 CB TYR B 28 -1.301 -4.195 -0.944 1.00 0.00 C ATOM 389 CG TYR B 28 -2.367 -5.262 -0.797 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.288 -6.191 0.257 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.439 -5.329 -1.706 1.00 0.00 C ATOM 392 CE1 TYR B 28 -3.282 -7.174 0.408 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.432 -6.312 -1.556 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.361 -7.227 -0.493 1.00 0.00 C ATOM 395 OH TYR B 28 -5.343 -8.160 -0.332 1.00 0.00 O ATOM 0 H TYR B 28 1.235 -3.101 -2.123 1.00 0.00 H new ATOM 0 HA TYR B 28 0.254 -5.656 -1.119 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.085 -3.776 0.039 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -1.697 -3.385 -1.556 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -1.462 -6.149 0.952 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -3.499 -4.623 -2.521 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -3.217 -7.888 1.216 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -5.250 -6.364 -2.259 1.00 0.00 H new ATOM 0 HH TYR B 28 -6.012 -8.056 -1.040 1.00 0.00 H new ATOM 405 N CYS B 29 -0.322 -3.717 -3.732 1.00 0.00 N ATOM 406 CA CYS B 29 -0.687 -3.612 -5.124 1.00 0.00 C ATOM 407 C CYS B 29 0.227 -2.667 -5.908 1.00 0.00 C ATOM 408 O CYS B 29 0.258 -2.741 -7.135 1.00 0.00 O ATOM 409 CB CYS B 29 -2.151 -3.190 -5.182 1.00 0.00 C ATOM 410 SG CYS B 29 -2.527 -1.433 -5.365 1.00 0.00 S ATOM 0 H CYS B 29 -0.223 -2.807 -3.282 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.557 -4.578 -5.612 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -2.617 -3.718 -6.014 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.635 -3.541 -4.270 1.00 0.00 H new ATOM 415 N LYS B 30 0.989 -1.814 -5.209 1.00 0.00 N ATOM 416 CA LYS B 30 1.988 -0.929 -5.799 1.00 0.00 C ATOM 417 C LYS B 30 1.357 0.017 -6.836 1.00 0.00 C ATOM 418 O LYS B 30 1.890 0.184 -7.932 1.00 0.00 O ATOM 419 CB LYS B 30 3.167 -1.736 -6.384 1.00 0.00 C ATOM 420 CG LYS B 30 3.951 -2.616 -5.392 1.00 0.00 C ATOM 421 CD LYS B 30 3.269 -3.902 -4.896 1.00 0.00 C ATOM 422 CE LYS B 30 2.885 -4.879 -6.013 1.00 0.00 C ATOM 423 NZ LYS B 30 2.222 -6.079 -5.471 1.00 0.00 N ATOM 0 H LYS B 30 0.922 -1.723 -4.195 1.00 0.00 H new ATOM 0 HA LYS B 30 2.393 -0.300 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS B 30 2.783 -2.375 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS B 30 3.864 -1.037 -6.846 1.00 0.00 H new ATOM 0 HG2 LYS B 30 4.895 -2.894 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS B 30 4.195 -2.007 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS B 30 3.936 -4.409 -4.199 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.371 -3.633 -4.339 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.221 -4.383 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.778 -5.172 -6.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 1.944 -6.705 -6.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.878 -6.583 -4.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.376 -5.797 -4.936 1.00 0.00 H new ATOM 437 N GLU B 31 0.217 0.632 -6.491 1.00 0.00 N ATOM 438 CA GLU B 31 -0.557 1.473 -7.400 1.00 0.00 C ATOM 439 C GLU B 31 0.065 2.854 -7.621 1.00 0.00 C ATOM 440 O GLU B 31 1.021 3.269 -6.967 1.00 0.00 O ATOM 441 CB GLU B 31 -1.992 1.681 -6.868 1.00 0.00 C ATOM 442 CG GLU B 31 -3.099 1.173 -7.809 1.00 0.00 C ATOM 443 CD GLU B 31 -3.257 1.932 -9.122 1.00 0.00 C ATOM 444 OE1 GLU B 31 -2.368 1.780 -9.987 1.00 0.00 O ATOM 445 OE2 GLU B 31 -4.267 2.660 -9.239 1.00 0.00 O ATOM 0 H GLU B 31 -0.194 0.555 -5.561 1.00 0.00 H new ATOM 0 HA GLU B 31 -0.565 0.940 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -2.087 1.174 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -2.148 2.744 -6.684 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.902 0.126 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -4.048 1.209 -7.274 1.00 0.00 H new ATOM 452 N LYS B 32 -0.600 3.551 -8.541 1.00 0.00 N ATOM 453 CA LYS B 32 -0.584 4.926 -8.947 1.00 0.00 C ATOM 454 C LYS B 32 -0.160 5.876 -7.828 1.00 0.00 C ATOM 455 O LYS B 32 0.878 6.526 -7.936 1.00 0.00 O ATOM 456 CB LYS B 32 -2.061 5.093 -9.326 1.00 0.00 C ATOM 457 CG LYS B 32 -2.534 6.467 -9.727 1.00 0.00 C ATOM 458 CD LYS B 32 -4.067 6.382 -9.802 1.00 0.00 C ATOM 459 CE LYS B 32 -4.699 7.694 -10.278 1.00 0.00 C ATOM 460 NZ LYS B 32 -4.336 8.007 -11.672 1.00 0.00 N ATOM 0 H LYS B 32 -1.282 3.052 -9.111 1.00 0.00 H new ATOM 0 HA LYS B 32 0.131 5.160 -9.736 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.274 4.412 -10.150 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.663 4.766 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -2.220 7.216 -9.000 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -2.112 6.760 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -4.351 5.577 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -4.463 6.126 -8.819 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.783 7.626 -10.192 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.378 8.508 -9.628 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -4.900 8.815 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -3.325 8.247 -11.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -4.526 7.181 -12.274 1.00 0.00 H new ATOM 474 N GLY B 33 -0.987 5.993 -6.781 1.00 0.00 N ATOM 475 CA GLY B 33 -0.792 7.015 -5.765 1.00 0.00 C ATOM 476 C GLY B 33 -1.695 6.843 -4.548 1.00 0.00 C ATOM 477 O GLY B 33 -2.617 7.627 -4.335 1.00 0.00 O ATOM 0 H GLY B 33 -1.794 5.390 -6.622 1.00 0.00 H new ATOM 0 HA2 GLY B 33 0.248 7.000 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -0.974 7.995 -6.207 1.00 0.00 H new ATOM 481 N HIS B 34 -1.388 5.829 -3.738 1.00 0.00 N ATOM 482 CA HIS B 34 -1.948 5.616 -2.408 1.00 0.00 C ATOM 483 C HIS B 34 -0.950 4.754 -1.622 1.00 0.00 C ATOM 484 O HIS B 34 0.230 4.721 -1.973 1.00 0.00 O ATOM 485 CB HIS B 34 -3.387 5.064 -2.459 1.00 0.00 C ATOM 486 CG HIS B 34 -3.547 3.696 -3.074 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.419 3.387 -4.095 1.00 0.00 N ATOM 488 CD2 HIS B 34 -2.956 2.499 -2.788 1.00 0.00 C ATOM 489 CE1 HIS B 34 -4.255 2.075 -4.340 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.404 1.422 -3.532 1.00 0.00 N ATOM 0 H HIS B 34 -0.717 5.108 -4.003 1.00 0.00 H new ATOM 0 HA HIS B 34 -2.071 6.561 -1.879 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.779 5.032 -1.443 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -4.005 5.767 -3.018 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -5.059 4.024 -4.569 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.191 2.400 -2.032 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.778 1.575 -5.141 1.00 0.00 H new ATOM 498 N TRP B 35 -1.400 4.060 -0.569 1.00 0.00 N ATOM 499 CA TRP B 35 -0.548 3.206 0.245 1.00 0.00 C ATOM 500 C TRP B 35 -1.250 1.907 0.653 1.00 0.00 C ATOM 501 O TRP B 35 -2.440 1.759 0.398 1.00 0.00 O ATOM 502 CB TRP B 35 -0.084 4.029 1.439 1.00 0.00 C ATOM 503 CG TRP B 35 1.382 4.119 1.674 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.390 3.916 0.796 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.010 4.463 2.927 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.595 4.039 1.446 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.418 4.367 2.772 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.512 4.869 4.175 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.299 4.605 3.831 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.379 5.135 5.238 1.00 0.00 C ATOM 511 CH2 TRP B 35 3.766 4.962 5.083 1.00 0.00 C ATOM 0 H TRP B 35 -2.372 4.080 -0.262 1.00 0.00 H new ATOM 0 HA TRP B 35 0.318 2.879 -0.331 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -0.470 5.042 1.322 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.545 3.614 2.335 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.267 3.692 -0.253 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.504 3.905 1.003 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.447 4.977 4.315 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.366 4.517 3.691 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.982 5.475 6.183 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.424 5.104 5.928 1.00 0.00 H new ATOM 522 N ALA B 36 -0.534 0.983 1.316 1.00 0.00 N ATOM 523 CA ALA B 36 -1.140 -0.228 1.888 1.00 0.00 C ATOM 524 C ALA B 36 -2.118 0.176 2.986 1.00 0.00 C ATOM 525 O ALA B 36 -3.145 -0.466 3.195 1.00 0.00 O ATOM 526 CB ALA B 36 -0.074 -1.189 2.431 1.00 0.00 C ATOM 0 H ALA B 36 0.472 1.054 1.469 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.675 -0.759 1.101 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.558 -2.073 2.846 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.593 -1.487 1.622 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.502 -0.691 3.211 1.00 0.00 H new ATOM 532 N LYS B 37 -1.788 1.292 3.638 1.00 0.00 N ATOM 533 CA LYS B 37 -2.595 2.039 4.571 1.00 0.00 C ATOM 534 C LYS B 37 -3.994 2.287 4.013 1.00 0.00 C ATOM 535 O LYS B 37 -4.998 2.100 4.698 1.00 0.00 O ATOM 536 CB LYS B 37 -1.866 3.376 4.751 1.00 0.00 C ATOM 537 CG LYS B 37 -2.339 4.204 5.934 1.00 0.00 C ATOM 538 CD LYS B 37 -3.530 5.136 5.650 1.00 0.00 C ATOM 539 CE LYS B 37 -3.124 6.370 4.831 1.00 0.00 C ATOM 540 NZ LYS B 37 -4.303 7.124 4.365 1.00 0.00 N ATOM 0 H LYS B 37 -0.872 1.722 3.508 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.719 1.498 5.509 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.800 3.180 4.865 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -1.986 3.965 3.842 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.613 3.527 6.743 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -1.504 4.807 6.291 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -4.300 4.583 5.112 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -3.969 5.458 6.594 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -2.493 7.019 5.438 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -2.528 6.058 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -3.999 8.041 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -4.791 6.582 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.952 7.281 5.162 1.00 0.00 H new ATOM 554 N ASP B 38 -4.017 2.746 2.759 1.00 0.00 N ATOM 555 CA ASP B 38 -5.169 3.294 2.073 1.00 0.00 C ATOM 556 C ASP B 38 -5.673 2.423 0.916 1.00 0.00 C ATOM 557 O ASP B 38 -6.567 2.859 0.195 1.00 0.00 O ATOM 558 CB ASP B 38 -4.712 4.646 1.508 1.00 0.00 C ATOM 559 CG ASP B 38 -5.862 5.636 1.372 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.177 6.255 2.412 1.00 0.00 O ATOM 561 OD2 ASP B 38 -6.402 5.757 0.252 1.00 0.00 O ATOM 0 H ASP B 38 -3.183 2.741 2.172 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.998 3.365 2.777 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -3.947 5.069 2.159 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -4.251 4.492 0.532 1.00 0.00 H new ATOM 566 N CYS B 39 -5.123 1.220 0.706 1.00 0.00 N ATOM 567 CA CYS B 39 -5.389 0.472 -0.511 1.00 0.00 C ATOM 568 C CYS B 39 -6.876 0.104 -0.636 1.00 0.00 C ATOM 569 O CYS B 39 -7.429 -0.512 0.272 1.00 0.00 O ATOM 570 CB CYS B 39 -4.510 -0.773 -0.571 1.00 0.00 C ATOM 571 SG CYS B 39 -4.513 -1.645 -2.169 1.00 0.00 S ATOM 0 H CYS B 39 -4.497 0.754 1.363 1.00 0.00 H new ATOM 0 HA CYS B 39 -5.143 1.112 -1.359 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.485 -0.487 -0.333 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.836 -1.466 0.204 1.00 0.00 H new ATOM 576 N PRO B 40 -7.533 0.482 -1.743 1.00 0.00 N ATOM 577 CA PRO B 40 -8.931 0.201 -2.016 1.00 0.00 C ATOM 578 C PRO B 40 -9.156 -1.254 -2.450 1.00 0.00 C ATOM 579 O PRO B 40 -10.256 -1.776 -2.280 1.00 0.00 O ATOM 580 CB PRO B 40 -9.306 1.194 -3.107 1.00 0.00 C ATOM 581 CG PRO B 40 -8.025 1.309 -3.927 1.00 0.00 C ATOM 582 CD PRO B 40 -6.952 1.222 -2.847 1.00 0.00 C ATOM 0 HA PRO B 40 -9.554 0.313 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -10.140 0.834 -3.710 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.606 2.156 -2.691 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.935 0.506 -4.658 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.975 2.248 -4.478 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -6.062 0.719 -3.225 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.643 2.217 -2.527 1.00 0.00 H new ATOM 590 N LYS B 41 -8.127 -1.904 -3.008 1.00 0.00 N ATOM 591 CA LYS B 41 -8.177 -3.292 -3.450 1.00 0.00 C ATOM 592 C LYS B 41 -8.123 -4.211 -2.230 1.00 0.00 C ATOM 593 O LYS B 41 -8.879 -5.174 -2.122 1.00 0.00 O ATOM 594 CB LYS B 41 -7.008 -3.581 -4.406 1.00 0.00 C ATOM 595 CG LYS B 41 -6.829 -2.480 -5.460 1.00 0.00 C ATOM 596 CD LYS B 41 -5.818 -2.919 -6.526 1.00 0.00 C ATOM 597 CE LYS B 41 -5.379 -1.750 -7.416 1.00 0.00 C ATOM 598 NZ LYS B 41 -6.481 -1.221 -8.236 1.00 0.00 N ATOM 0 H LYS B 41 -7.220 -1.465 -3.165 1.00 0.00 H new ATOM 0 HA LYS B 41 -9.107 -3.475 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -6.088 -3.682 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -7.178 -4.535 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -7.788 -2.257 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -6.487 -1.562 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -4.944 -3.353 -6.040 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -6.260 -3.700 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -4.980 -0.951 -6.791 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -4.570 -2.078 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -6.133 -0.433 -8.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -6.846 -1.974 -8.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -7.244 -0.882 -7.616 1.00 0.00 H new ATOM 612 N LYS B 42 -7.221 -3.870 -1.307 1.00 0.00 N ATOM 613 CA LYS B 42 -7.043 -4.484 -0.007 1.00 0.00 C ATOM 614 C LYS B 42 -8.320 -4.303 0.822 1.00 0.00 C ATOM 615 O LYS B 42 -8.979 -3.271 0.692 1.00 0.00 O ATOM 616 CB LYS B 42 -5.862 -3.757 0.647 1.00 0.00 C ATOM 617 CG LYS B 42 -5.328 -4.326 1.960 1.00 0.00 C ATOM 618 CD LYS B 42 -4.260 -3.365 2.495 1.00 0.00 C ATOM 619 CE LYS B 42 -3.225 -4.053 3.384 1.00 0.00 C ATOM 620 NZ LYS B 42 -3.809 -4.712 4.566 1.00 0.00 N ATOM 0 H LYS B 42 -6.559 -3.110 -1.466 1.00 0.00 H new ATOM 0 HA LYS B 42 -6.848 -5.554 -0.081 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -5.041 -3.735 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.159 -2.723 0.824 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -6.136 -4.438 2.683 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -4.903 -5.317 1.801 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -3.751 -2.892 1.655 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -4.746 -2.570 3.061 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -2.686 -4.794 2.794 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -2.493 -3.315 3.714 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -3.073 -5.256 5.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -4.196 -3.992 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -4.571 -5.353 4.265 1.00 0.00 H new ATOM 634 N PRO B 43 -8.676 -5.270 1.685 1.00 0.00 N ATOM 635 CA PRO B 43 -9.800 -5.150 2.600 1.00 0.00 C ATOM 636 C PRO B 43 -9.444 -4.169 3.725 1.00 0.00 C ATOM 637 O PRO B 43 -9.128 -4.569 4.844 1.00 0.00 O ATOM 638 CB PRO B 43 -10.066 -6.576 3.096 1.00 0.00 C ATOM 639 CG PRO B 43 -8.686 -7.229 3.035 1.00 0.00 C ATOM 640 CD PRO B 43 -8.051 -6.577 1.806 1.00 0.00 C ATOM 0 HA PRO B 43 -10.700 -4.746 2.137 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -10.470 -6.582 4.108 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -10.786 -7.095 2.463 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -8.108 -7.036 3.939 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -8.756 -8.311 2.927 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -6.972 -6.485 1.926 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -8.222 -7.177 0.912 1.00 0.00 H new ATOM 648 N ARG B 44 -9.493 -2.871 3.403 1.00 0.00 N ATOM 649 CA ARG B 44 -9.145 -1.773 4.291 1.00 0.00 C ATOM 650 C ARG B 44 -10.130 -1.696 5.458 1.00 0.00 C ATOM 651 O ARG B 44 -9.717 -1.647 6.615 1.00 0.00 O ATOM 652 CB ARG B 44 -9.119 -0.476 3.470 1.00 0.00 C ATOM 653 CG ARG B 44 -8.600 0.720 4.276 1.00 0.00 C ATOM 654 CD ARG B 44 -8.435 1.949 3.375 1.00 0.00 C ATOM 655 NE ARG B 44 -9.727 2.451 2.887 1.00 0.00 N ATOM 656 CZ ARG B 44 -9.885 3.460 2.012 1.00 0.00 C ATOM 657 NH1 ARG B 44 -8.830 4.051 1.435 1.00 0.00 N ATOM 658 NH2 ARG B 44 -11.120 3.884 1.713 1.00 0.00 N ATOM 0 H ARG B 44 -9.788 -2.552 2.480 1.00 0.00 H new ATOM 0 HA ARG B 44 -8.158 -1.933 4.726 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -8.489 -0.619 2.592 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -10.124 -0.258 3.109 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -9.293 0.947 5.086 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -7.644 0.468 4.735 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -7.925 2.738 3.928 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -7.801 1.694 2.526 1.00 0.00 H new ATOM 0 HE ARG B 44 -10.570 1.999 3.240 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -7.885 3.737 1.657 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -8.972 4.815 0.774 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -11.930 3.442 2.148 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -11.250 4.649 1.051 1.00 0.00 H new ATOM 672 N GLY B 45 -11.431 -1.698 5.148 1.00 0.00 N ATOM 673 CA GLY B 45 -12.489 -1.724 6.144 1.00 0.00 C ATOM 674 C GLY B 45 -13.838 -2.026 5.490 1.00 0.00 C ATOM 675 O GLY B 45 -14.727 -1.177 5.524 1.00 0.00 O ATOM 0 H GLY B 45 -11.774 -1.681 4.188 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -12.267 -2.479 6.898 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -12.535 -0.764 6.658 1.00 0.00 H new ATOM 679 N PRO B 46 -14.012 -3.219 4.894 1.00 0.00 N ATOM 680 CA PRO B 46 -15.260 -3.619 4.262 1.00 0.00 C ATOM 681 C PRO B 46 -16.340 -3.849 5.322 1.00 0.00 C ATOM 682 O PRO B 46 -16.034 -4.293 6.428 1.00 0.00 O ATOM 683 CB PRO B 46 -14.934 -4.908 3.503 1.00 0.00 C ATOM 684 CG PRO B 46 -13.801 -5.517 4.329 1.00 0.00 C ATOM 685 CD PRO B 46 -13.028 -4.285 4.796 1.00 0.00 C ATOM 0 HA PRO B 46 -15.649 -2.855 3.589 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -15.796 -5.573 3.448 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -14.622 -4.705 2.478 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -14.180 -6.100 5.169 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -13.178 -6.184 3.733 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -12.548 -4.465 5.758 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -12.239 -4.026 4.090 1.00 0.00 H new ATOM 693 N ARG B 47 -17.594 -3.530 4.970 1.00 0.00 N ATOM 694 CA ARG B 47 -18.782 -3.620 5.816 1.00 0.00 C ATOM 695 C ARG B 47 -18.765 -2.552 6.916 1.00 0.00 C ATOM 696 O ARG B 47 -19.604 -1.652 6.910 1.00 0.00 O ATOM 697 CB ARG B 47 -18.966 -5.038 6.382 1.00 0.00 C ATOM 698 CG ARG B 47 -20.357 -5.199 7.013 1.00 0.00 C ATOM 699 CD ARG B 47 -20.377 -6.354 8.017 1.00 0.00 C ATOM 700 NE ARG B 47 -19.540 -6.054 9.188 1.00 0.00 N ATOM 701 CZ ARG B 47 -19.388 -6.859 10.250 1.00 0.00 C ATOM 702 NH1 ARG B 47 -20.026 -8.034 10.319 1.00 0.00 N ATOM 703 NH2 ARG B 47 -18.588 -6.483 11.255 1.00 0.00 N ATOM 0 H ARG B 47 -17.813 -3.184 4.036 1.00 0.00 H new ATOM 0 HA ARG B 47 -19.652 -3.418 5.191 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -18.836 -5.771 5.586 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -18.198 -5.238 7.129 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -20.642 -4.273 7.513 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -21.095 -5.380 6.232 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -21.401 -6.543 8.338 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -20.021 -7.264 7.535 1.00 0.00 H new ATOM 0 HE ARG B 47 -19.037 -5.167 9.193 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -20.638 -8.328 9.557 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -19.900 -8.635 11.133 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -18.099 -5.589 11.210 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -18.468 -7.090 12.066 1.00 0.00 H new ATOM 717 N GLY B 48 -17.830 -2.673 7.866 1.00 0.00 N ATOM 718 CA GLY B 48 -17.655 -1.769 8.992 1.00 0.00 C ATOM 719 C GLY B 48 -17.660 -2.532 10.320 1.00 0.00 C ATOM 720 O GLY B 48 -17.854 -3.751 10.340 1.00 0.00 O ATOM 0 H GLY B 48 -17.152 -3.435 7.865 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -16.715 -1.227 8.884 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -18.453 -1.026 8.993 1.00 0.00 H new ATOM 724 N PRO B 49 -17.469 -1.816 11.441 1.00 0.00 N ATOM 725 CA PRO B 49 -17.457 -2.362 12.786 1.00 0.00 C ATOM 726 C PRO B 49 -18.905 -2.364 13.273 1.00 0.00 C ATOM 727 O PRO B 49 -19.256 -1.691 14.241 1.00 0.00 O ATOM 728 CB PRO B 49 -16.576 -1.384 13.566 1.00 0.00 C ATOM 729 CG PRO B 49 -16.944 -0.033 12.948 1.00 0.00 C ATOM 730 CD PRO B 49 -17.304 -0.374 11.498 1.00 0.00 C ATOM 0 HA PRO B 49 -17.076 -3.378 12.884 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -16.788 -1.412 14.635 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -15.516 -1.609 13.446 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -17.782 0.429 13.469 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -16.112 0.669 12.998 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -18.220 0.133 11.196 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -16.519 -0.046 10.816 1.00 0.00 H new ATOM 738 N ARG B 50 -19.757 -3.092 12.546 1.00 0.00 N ATOM 739 CA ARG B 50 -21.196 -3.036 12.717 1.00 0.00 C ATOM 740 C ARG B 50 -21.603 -3.526 14.112 1.00 0.00 C ATOM 741 O ARG B 50 -20.868 -4.309 14.712 1.00 0.00 O ATOM 742 CB ARG B 50 -21.859 -3.902 11.632 1.00 0.00 C ATOM 743 CG ARG B 50 -21.554 -3.458 10.192 1.00 0.00 C ATOM 744 CD ARG B 50 -21.910 -1.998 9.894 1.00 0.00 C ATOM 745 NE ARG B 50 -23.308 -1.703 10.230 1.00 0.00 N ATOM 746 CZ ARG B 50 -23.852 -0.475 10.250 1.00 0.00 C ATOM 747 NH1 ARG B 50 -23.126 0.602 9.915 1.00 0.00 N ATOM 748 NH2 ARG B 50 -25.134 -0.325 10.610 1.00 0.00 N ATOM 0 H ARG B 50 -19.456 -3.740 11.818 1.00 0.00 H new ATOM 0 HA ARG B 50 -21.528 -2.002 12.620 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -21.532 -4.934 11.758 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -22.938 -3.889 11.783 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -20.493 -3.609 9.995 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -22.101 -4.101 9.502 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -21.252 -1.340 10.461 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -21.737 -1.789 8.838 1.00 0.00 H new ATOM 0 HE ARG B 50 -23.912 -2.490 10.466 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -22.149 0.494 9.641 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -23.551 1.529 9.934 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -25.690 -1.140 10.867 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -25.553 0.605 10.627 1.00 0.00 H new ATOM 762 N PRO B 51 -22.772 -3.110 14.635 1.00 0.00 N ATOM 763 CA PRO B 51 -23.335 -3.687 15.850 1.00 0.00 C ATOM 764 C PRO B 51 -23.531 -5.193 15.652 1.00 0.00 C ATOM 765 O PRO B 51 -23.813 -5.632 14.538 1.00 0.00 O ATOM 766 CB PRO B 51 -24.655 -2.950 16.092 1.00 0.00 C ATOM 767 CG PRO B 51 -25.051 -2.464 14.699 1.00 0.00 C ATOM 768 CD PRO B 51 -23.702 -2.158 14.051 1.00 0.00 C ATOM 0 HA PRO B 51 -22.684 -3.573 16.717 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -25.411 -3.610 16.517 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -24.530 -2.119 16.787 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -25.602 -3.225 14.146 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -25.687 -1.580 14.745 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -23.751 -2.270 12.968 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -23.393 -1.132 14.252 1.00 0.00 H new ATOM 776 N GLN B 52 -23.314 -5.970 16.722 1.00 0.00 N ATOM 777 CA GLN B 52 -23.221 -7.430 16.729 1.00 0.00 C ATOM 778 C GLN B 52 -21.837 -7.859 16.229 1.00 0.00 C ATOM 779 O GLN B 52 -21.155 -8.626 16.906 1.00 0.00 O ATOM 780 CB GLN B 52 -24.359 -8.110 15.949 1.00 0.00 C ATOM 781 CG GLN B 52 -24.430 -9.605 16.283 1.00 0.00 C ATOM 782 CD GLN B 52 -25.517 -10.303 15.471 1.00 0.00 C ATOM 783 OE1 GLN B 52 -26.582 -10.621 15.994 1.00 0.00 O ATOM 784 NE2 GLN B 52 -25.248 -10.548 14.187 1.00 0.00 N ATOM 0 H GLN B 52 -23.193 -5.572 17.653 1.00 0.00 H new ATOM 0 HA GLN B 52 -23.343 -7.769 17.758 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -25.308 -7.633 16.192 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -24.201 -7.979 14.878 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -23.466 -10.071 16.081 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -24.629 -9.733 17.347 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -24.351 -10.267 13.791 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -25.940 -11.016 13.601 1.00 0.00 H new ATOM 793 N THR B 53 -21.432 -7.331 15.064 1.00 0.00 N ATOM 794 CA THR B 53 -20.107 -7.451 14.466 1.00 0.00 C ATOM 795 C THR B 53 -19.935 -8.788 13.739 1.00 0.00 C ATOM 796 O THR B 53 -19.104 -8.814 12.805 1.00 0.00 O ATOM 797 CB THR B 53 -18.987 -7.175 15.491 1.00 0.00 C ATOM 798 OG1 THR B 53 -19.332 -6.077 16.313 1.00 0.00 O ATOM 799 CG2 THR B 53 -17.658 -6.841 14.805 1.00 0.00 C ATOM 800 OXT THR B 53 -20.644 -9.753 14.097 1.00 0.00 O ATOM 0 H THR B 53 -22.063 -6.777 14.485 1.00 0.00 H new ATOM 0 HA THR B 53 -20.018 -6.675 13.706 1.00 0.00 H new ATOM 0 HB THR B 53 -18.873 -8.084 16.082 1.00 0.00 H new ATOM 0 HG1 THR B 53 -19.852 -5.429 15.793 1.00 0.00 H new ATOM 0 HG21 THR B 53 -16.895 -6.653 15.561 1.00 0.00 H new ATOM 0 HG22 THR B 53 -17.351 -7.679 14.180 1.00 0.00 H new ATOM 0 HG23 THR B 53 -17.781 -5.953 14.186 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.866 -0.528 -3.323 1.00 0.00 ZN