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 58:sc= 0.153 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 GLN : amide:sc= -0.0798 K(o=-0.08,f=-2.8!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.122) USER MOD Single : B 32 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0078) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 133:sc= 1.22 (180deg=-0.106) USER MOD Single : B 42 LYS NZ :NH3+ -173:sc= 0.154 (180deg=0.0245) USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0.00405 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.400 -7.662 1.184 1.00 0.00 O ATOM 2 C5' DA A 1 1.665 -7.521 1.793 1.00 0.00 C ATOM 3 C4' DA A 1 1.518 -7.129 3.270 1.00 0.00 C ATOM 4 O4' DA A 1 2.782 -7.252 3.904 1.00 0.00 O ATOM 5 C3' DA A 1 1.028 -5.691 3.481 1.00 0.00 C ATOM 6 O3' DA A 1 0.346 -5.576 4.723 1.00 0.00 O ATOM 7 C2' DA A 1 2.371 -4.998 3.534 1.00 0.00 C ATOM 8 C1' DA A 1 3.169 -5.981 4.383 1.00 0.00 C ATOM 9 N9 DA A 1 4.633 -5.829 4.256 1.00 0.00 N ATOM 10 C8 DA A 1 5.367 -5.511 3.144 1.00 0.00 C ATOM 11 N7 DA A 1 6.656 -5.484 3.334 1.00 0.00 N ATOM 12 C5 DA A 1 6.792 -5.817 4.676 1.00 0.00 C ATOM 13 C6 DA A 1 7.912 -5.971 5.521 1.00 0.00 C ATOM 14 N6 DA A 1 9.169 -5.790 5.100 1.00 0.00 N ATOM 15 N1 DA A 1 7.703 -6.315 6.807 1.00 0.00 N ATOM 16 C2 DA A 1 6.453 -6.487 7.235 1.00 0.00 C ATOM 17 N3 DA A 1 5.320 -6.367 6.546 1.00 0.00 N ATOM 18 C4 DA A 1 5.562 -6.027 5.251 1.00 0.00 C ATOM 0 H5' DA A 1 2.245 -6.763 1.267 1.00 0.00 H new ATOM 0 H5'' DA A 1 2.218 -8.457 1.714 1.00 0.00 H new ATOM 0 H4' DA A 1 0.769 -7.798 3.694 1.00 0.00 H new ATOM 0 H3' DA A 1 0.328 -5.308 2.739 1.00 0.00 H new ATOM 0 H2' DA A 1 2.805 -4.861 2.543 1.00 0.00 H new ATOM 0 H2'' DA A 1 2.309 -4.011 3.993 1.00 0.00 H new ATOM 0 HO5' DA A 1 -0.101 -6.824 1.273 1.00 0.00 H new ATOM 0 H1' DA A 1 2.961 -5.817 5.440 1.00 0.00 H new ATOM 0 H8 DA A 1 4.914 -5.300 2.187 1.00 0.00 H new ATOM 0 H61 DA A 1 9.947 -5.913 5.748 1.00 0.00 H new ATOM 0 H62 DA A 1 9.350 -5.529 4.131 1.00 0.00 H new ATOM 0 H2 DA A 1 6.345 -6.759 8.275 1.00 0.00 H new ATOM 31 P DC A 2 -0.756 -4.421 5.015 1.00 0.00 P ATOM 32 OP1 DC A 2 -1.345 -4.695 6.344 1.00 0.00 O ATOM 33 OP2 DC A 2 -1.645 -4.338 3.836 1.00 0.00 O ATOM 34 O5' DC A 2 0.058 -3.027 5.098 1.00 0.00 O ATOM 35 C5' DC A 2 0.335 -2.344 6.312 1.00 0.00 C ATOM 36 C4' DC A 2 1.557 -2.920 7.032 1.00 0.00 C ATOM 37 O4' DC A 2 2.619 -3.043 6.107 1.00 0.00 O ATOM 38 C3' DC A 2 2.077 -1.983 8.140 1.00 0.00 C ATOM 39 O3' DC A 2 1.949 -2.567 9.423 1.00 0.00 O ATOM 40 C2' DC A 2 3.556 -1.825 7.781 1.00 0.00 C ATOM 41 C1' DC A 2 3.814 -2.985 6.843 1.00 0.00 C ATOM 42 N1 DC A 2 5.029 -2.735 6.023 1.00 0.00 N ATOM 43 C2 DC A 2 6.278 -3.004 6.586 1.00 0.00 C ATOM 44 O2 DC A 2 6.375 -3.391 7.749 1.00 0.00 O ATOM 45 N3 DC A 2 7.389 -2.837 5.812 1.00 0.00 N ATOM 46 C4 DC A 2 7.295 -2.413 4.544 1.00 0.00 C ATOM 47 N4 DC A 2 8.413 -2.299 3.817 1.00 0.00 N ATOM 48 C5 DC A 2 6.025 -2.075 3.967 1.00 0.00 C ATOM 49 C6 DC A 2 4.933 -2.237 4.750 1.00 0.00 C ATOM 0 H5' DC A 2 -0.533 -2.405 6.968 1.00 0.00 H new ATOM 0 H5'' DC A 2 0.503 -1.288 6.103 1.00 0.00 H new ATOM 0 H4' DC A 2 1.249 -3.873 7.463 1.00 0.00 H new ATOM 0 H3' DC A 2 1.525 -1.044 8.188 1.00 0.00 H new ATOM 0 H2' DC A 2 3.753 -0.867 7.299 1.00 0.00 H new ATOM 0 H2'' DC A 2 4.192 -1.874 8.665 1.00 0.00 H new ATOM 0 H1' DC A 2 4.031 -3.936 7.329 1.00 0.00 H new ATOM 0 H41 DC A 2 8.362 -1.978 2.850 1.00 0.00 H new ATOM 0 H42 DC A 2 9.316 -2.533 4.230 1.00 0.00 H new ATOM 0 H5 DC A 2 5.944 -1.708 2.954 1.00 0.00 H new ATOM 0 H6 DC A 2 3.962 -1.967 4.362 1.00 0.00 H new ATOM 61 P DG A 3 1.955 -1.668 10.772 1.00 0.00 P ATOM 62 OP1 DG A 3 2.191 -2.574 11.917 1.00 0.00 O ATOM 63 OP2 DG A 3 0.745 -0.814 10.753 1.00 0.00 O ATOM 64 O5' DG A 3 3.255 -0.715 10.616 1.00 0.00 O ATOM 65 C5' DG A 3 3.130 0.687 10.460 1.00 0.00 C ATOM 66 C4' DG A 3 4.467 1.327 10.056 1.00 0.00 C ATOM 67 O4' DG A 3 4.772 0.903 8.733 1.00 0.00 O ATOM 68 C3' DG A 3 4.304 2.854 10.027 1.00 0.00 C ATOM 69 O3' DG A 3 5.410 3.628 10.482 1.00 0.00 O ATOM 70 C2' DG A 3 3.910 3.110 8.585 1.00 0.00 C ATOM 71 C1' DG A 3 4.628 1.984 7.826 1.00 0.00 C ATOM 72 N9 DG A 3 3.913 1.576 6.590 1.00 0.00 N ATOM 73 C8 DG A 3 2.564 1.421 6.391 1.00 0.00 C ATOM 74 N7 DG A 3 2.226 1.216 5.151 1.00 0.00 N ATOM 75 C5 DG A 3 3.438 1.183 4.474 1.00 0.00 C ATOM 76 C6 DG A 3 3.706 1.054 3.077 1.00 0.00 C ATOM 77 O6 DG A 3 2.901 1.015 2.150 1.00 0.00 O ATOM 78 N1 DG A 3 5.068 1.010 2.796 1.00 0.00 N ATOM 79 C2 DG A 3 6.061 1.100 3.754 1.00 0.00 C ATOM 80 N2 DG A 3 7.323 1.011 3.322 1.00 0.00 N ATOM 81 N3 DG A 3 5.813 1.266 5.065 1.00 0.00 N ATOM 82 C4 DG A 3 4.483 1.319 5.359 1.00 0.00 C ATOM 0 H5' DG A 3 2.781 1.129 11.393 1.00 0.00 H new ATOM 0 H5'' DG A 3 2.377 0.905 9.703 1.00 0.00 H new ATOM 0 H4' DG A 3 5.249 1.040 10.760 1.00 0.00 H new ATOM 0 H3' DG A 3 3.565 3.189 10.754 1.00 0.00 H new ATOM 0 H2' DG A 3 2.830 3.064 8.448 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.233 4.095 8.247 1.00 0.00 H new ATOM 0 H1' DG A 3 5.601 2.333 7.480 1.00 0.00 H new ATOM 0 H8 DG A 3 1.844 1.465 7.195 1.00 0.00 H new ATOM 0 H1 DG A 3 5.352 0.905 1.822 1.00 0.00 H new ATOM 0 H21 DG A 3 8.095 1.071 3.986 1.00 0.00 H new ATOM 0 H22 DG A 3 7.514 0.883 2.328 1.00 0.00 H new ATOM 94 P DC A 4 6.889 3.696 9.812 1.00 0.00 P ATOM 95 OP1 DC A 4 7.296 2.334 9.402 1.00 0.00 O ATOM 96 OP2 DC A 4 7.742 4.441 10.763 1.00 0.00 O ATOM 97 O5' DC A 4 6.762 4.614 8.476 1.00 0.00 O ATOM 98 C5' DC A 4 7.881 4.754 7.614 1.00 0.00 C ATOM 99 C4' DC A 4 7.858 5.972 6.676 1.00 0.00 C ATOM 100 O4' DC A 4 6.975 5.852 5.582 1.00 0.00 O ATOM 101 C3' DC A 4 7.533 7.300 7.372 1.00 0.00 C ATOM 102 O3' DC A 4 8.627 8.199 7.308 1.00 0.00 O ATOM 103 C2' DC A 4 6.386 7.844 6.518 1.00 0.00 C ATOM 104 C1' DC A 4 6.688 7.174 5.177 1.00 0.00 C ATOM 105 N1 DC A 4 5.654 7.249 4.100 1.00 0.00 N ATOM 106 C2 DC A 4 6.089 7.024 2.789 1.00 0.00 C ATOM 107 O2 DC A 4 7.270 6.792 2.543 1.00 0.00 O ATOM 108 N3 DC A 4 5.178 7.066 1.778 1.00 0.00 N ATOM 109 C4 DC A 4 3.885 7.310 2.013 1.00 0.00 C ATOM 110 N4 DC A 4 3.040 7.320 0.977 1.00 0.00 N ATOM 111 C5 DC A 4 3.407 7.545 3.347 1.00 0.00 C ATOM 112 C6 DC A 4 4.323 7.512 4.348 1.00 0.00 C ATOM 0 H5' DC A 4 7.962 3.853 7.006 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.782 4.808 8.225 1.00 0.00 H new ATOM 0 H4' DC A 4 8.887 5.987 6.315 1.00 0.00 H new ATOM 0 H3' DC A 4 7.299 7.176 8.429 1.00 0.00 H new ATOM 0 H2' DC A 4 5.409 7.563 6.910 1.00 0.00 H new ATOM 0 H2'' DC A 4 6.401 8.932 6.450 1.00 0.00 H new ATOM 0 H1' DC A 4 7.491 7.698 4.658 1.00 0.00 H new ATOM 0 H41 DC A 4 2.048 7.504 1.129 1.00 0.00 H new ATOM 0 H42 DC A 4 3.387 7.144 0.034 1.00 0.00 H new ATOM 0 H5 DC A 4 2.363 7.740 3.545 1.00 0.00 H new ATOM 0 H6 DC A 4 4.002 7.696 5.363 1.00 0.00 H new ATOM 124 P DC A 5 10.045 7.908 8.029 1.00 0.00 P ATOM 125 OP1 DC A 5 10.971 7.342 7.020 1.00 0.00 O ATOM 126 OP2 DC A 5 9.789 7.148 9.270 1.00 0.00 O ATOM 127 O5' DC A 5 10.585 9.369 8.466 1.00 0.00 O ATOM 128 C5' DC A 5 10.532 10.500 7.611 1.00 0.00 C ATOM 129 C4' DC A 5 9.400 11.449 8.035 1.00 0.00 C ATOM 130 O4' DC A 5 8.139 10.825 7.895 1.00 0.00 O ATOM 131 C3' DC A 5 9.515 11.908 9.490 1.00 0.00 C ATOM 132 O3' DC A 5 10.277 13.090 9.608 1.00 0.00 O ATOM 133 C2' DC A 5 8.058 12.150 9.869 1.00 0.00 C ATOM 134 C1' DC A 5 7.266 11.224 8.936 1.00 0.00 C ATOM 135 N1 DC A 5 6.735 9.994 9.597 1.00 0.00 N ATOM 136 C2 DC A 5 5.421 9.593 9.325 1.00 0.00 C ATOM 137 O2 DC A 5 4.692 10.248 8.581 1.00 0.00 O ATOM 138 N3 DC A 5 4.954 8.442 9.892 1.00 0.00 N ATOM 139 C4 DC A 5 5.731 7.697 10.692 1.00 0.00 C ATOM 140 N4 DC A 5 5.234 6.563 11.196 1.00 0.00 N ATOM 141 C5 DC A 5 7.075 8.091 10.999 1.00 0.00 C ATOM 142 C6 DC A 5 7.526 9.234 10.429 1.00 0.00 C ATOM 0 H5' DC A 5 10.376 10.177 6.582 1.00 0.00 H new ATOM 0 H5'' DC A 5 11.485 11.028 7.638 1.00 0.00 H new ATOM 0 H4' DC A 5 9.491 12.314 7.378 1.00 0.00 H new ATOM 0 H3' DC A 5 10.023 11.187 10.131 1.00 0.00 H new ATOM 0 H2' DC A 5 7.874 11.911 10.917 1.00 0.00 H new ATOM 0 H2'' DC A 5 7.778 13.194 9.726 1.00 0.00 H new ATOM 0 HO3' DC A 5 10.327 13.354 10.550 1.00 0.00 H new ATOM 0 H1' DC A 5 6.399 11.784 8.584 1.00 0.00 H new ATOM 0 H41 DC A 5 5.808 5.982 11.807 1.00 0.00 H new ATOM 0 H42 DC A 5 4.281 6.279 10.970 1.00 0.00 H new ATOM 0 H5 DC A 5 7.700 7.503 11.655 1.00 0.00 H new ATOM 0 H6 DC A 5 8.536 9.559 10.633 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 22.331 0.614 -12.853 1.00 0.00 N ATOM 157 CA GLY B 14 21.414 1.764 -12.799 1.00 0.00 C ATOM 158 C GLY B 14 20.922 2.038 -11.379 1.00 0.00 C ATOM 159 O GLY B 14 21.055 1.182 -10.504 1.00 0.00 O ATOM 0 HA2 GLY B 14 21.920 2.649 -13.184 1.00 0.00 H new ATOM 0 HA3 GLY B 14 20.559 1.577 -13.449 1.00 0.00 H new ATOM 165 N GLU B 15 20.359 3.231 -11.158 1.00 0.00 N ATOM 166 CA GLU B 15 19.883 3.670 -9.855 1.00 0.00 C ATOM 167 C GLU B 15 18.537 3.017 -9.534 1.00 0.00 C ATOM 168 O GLU B 15 17.487 3.638 -9.697 1.00 0.00 O ATOM 169 CB GLU B 15 19.775 5.201 -9.828 1.00 0.00 C ATOM 170 CG GLU B 15 21.143 5.877 -9.969 1.00 0.00 C ATOM 171 CD GLU B 15 21.005 7.395 -9.911 1.00 0.00 C ATOM 172 OE1 GLU B 15 20.729 7.897 -8.799 1.00 0.00 O ATOM 173 OE2 GLU B 15 21.163 8.025 -10.978 1.00 0.00 O ATOM 0 H GLU B 15 20.222 3.924 -11.894 1.00 0.00 H new ATOM 0 HA GLU B 15 20.596 3.362 -9.090 1.00 0.00 H new ATOM 0 HB2 GLU B 15 19.122 5.532 -10.636 1.00 0.00 H new ATOM 0 HB3 GLU B 15 19.310 5.515 -8.893 1.00 0.00 H new ATOM 0 HG2 GLU B 15 21.806 5.537 -9.173 1.00 0.00 H new ATOM 0 HG3 GLU B 15 21.603 5.585 -10.913 1.00 0.00 H new ATOM 180 N ARG B 16 18.571 1.778 -9.028 1.00 0.00 N ATOM 181 CA ARG B 16 17.397 1.090 -8.503 1.00 0.00 C ATOM 182 C ARG B 16 17.114 1.586 -7.080 1.00 0.00 C ATOM 183 O ARG B 16 17.065 0.798 -6.137 1.00 0.00 O ATOM 184 CB ARG B 16 17.612 -0.433 -8.550 1.00 0.00 C ATOM 185 CG ARG B 16 17.866 -0.988 -9.961 1.00 0.00 C ATOM 186 CD ARG B 16 16.670 -0.859 -10.913 1.00 0.00 C ATOM 187 NE ARG B 16 15.504 -1.624 -10.436 1.00 0.00 N ATOM 188 CZ ARG B 16 14.329 -1.130 -10.007 1.00 0.00 C ATOM 189 NH1 ARG B 16 14.090 0.188 -9.981 1.00 0.00 N ATOM 190 NH2 ARG B 16 13.380 -1.977 -9.583 1.00 0.00 N ATOM 0 H ARG B 16 19.426 1.224 -8.973 1.00 0.00 H new ATOM 0 HA ARG B 16 16.526 1.313 -9.119 1.00 0.00 H new ATOM 0 HB2 ARG B 16 18.458 -0.689 -7.913 1.00 0.00 H new ATOM 0 HB3 ARG B 16 16.735 -0.926 -8.130 1.00 0.00 H new ATOM 0 HG2 ARG B 16 18.720 -0.468 -10.396 1.00 0.00 H new ATOM 0 HG3 ARG B 16 18.141 -2.040 -9.881 1.00 0.00 H new ATOM 0 HD2 ARG B 16 16.398 0.192 -11.014 1.00 0.00 H new ATOM 0 HD3 ARG B 16 16.955 -1.212 -11.904 1.00 0.00 H new ATOM 0 HE ARG B 16 15.599 -2.640 -10.431 1.00 0.00 H new ATOM 0 HH11 ARG B 16 14.808 0.843 -10.291 1.00 0.00 H new ATOM 0 HH12 ARG B 16 13.190 0.537 -9.651 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.554 -2.982 -9.589 1.00 0.00 H new ATOM 0 HH22 ARG B 16 12.484 -1.616 -9.255 1.00 0.00 H new ATOM 204 N ARG B 17 16.925 2.903 -6.933 1.00 0.00 N ATOM 205 CA ARG B 17 16.598 3.553 -5.673 1.00 0.00 C ATOM 206 C ARG B 17 15.155 3.199 -5.320 1.00 0.00 C ATOM 207 O ARG B 17 14.897 2.627 -4.262 1.00 0.00 O ATOM 208 CB ARG B 17 16.846 5.060 -5.820 1.00 0.00 C ATOM 209 CG ARG B 17 16.646 5.815 -4.501 1.00 0.00 C ATOM 210 CD ARG B 17 17.024 7.296 -4.633 1.00 0.00 C ATOM 211 NE ARG B 17 18.471 7.483 -4.834 1.00 0.00 N ATOM 212 CZ ARG B 17 19.102 7.670 -6.008 1.00 0.00 C ATOM 213 NH1 ARG B 17 18.437 7.715 -7.171 1.00 0.00 N ATOM 214 NH2 ARG B 17 20.434 7.807 -6.030 1.00 0.00 N ATOM 0 H ARG B 17 16.999 3.557 -7.712 1.00 0.00 H new ATOM 0 HA ARG B 17 17.227 3.211 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG B 17 17.861 5.225 -6.180 1.00 0.00 H new ATOM 0 HB3 ARG B 17 16.171 5.465 -6.574 1.00 0.00 H new ATOM 0 HG2 ARG B 17 15.605 5.731 -4.188 1.00 0.00 H new ATOM 0 HG3 ARG B 17 17.252 5.353 -3.721 1.00 0.00 H new ATOM 0 HD2 ARG B 17 16.482 7.735 -5.471 1.00 0.00 H new ATOM 0 HD3 ARG B 17 16.711 7.831 -3.736 1.00 0.00 H new ATOM 0 HE ARG B 17 19.055 7.469 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG B 17 17.423 7.606 -7.183 1.00 0.00 H new ATOM 0 HH12 ARG B 17 18.945 7.858 -8.044 1.00 0.00 H new ATOM 0 HH21 ARG B 17 20.965 7.769 -5.160 1.00 0.00 H new ATOM 0 HH22 ARG B 17 20.918 7.949 -6.917 1.00 0.00 H new ATOM 228 N ARG B 18 14.228 3.503 -6.236 1.00 0.00 N ATOM 229 CA ARG B 18 12.856 3.028 -6.178 1.00 0.00 C ATOM 230 C ARG B 18 12.895 1.611 -6.752 1.00 0.00 C ATOM 231 O ARG B 18 12.636 1.415 -7.939 1.00 0.00 O ATOM 232 CB ARG B 18 11.951 3.970 -6.987 1.00 0.00 C ATOM 233 CG ARG B 18 10.488 3.501 -7.008 1.00 0.00 C ATOM 234 CD ARG B 18 9.632 4.414 -7.895 1.00 0.00 C ATOM 235 NE ARG B 18 9.436 5.740 -7.294 1.00 0.00 N ATOM 236 CZ ARG B 18 8.541 6.018 -6.332 1.00 0.00 C ATOM 237 NH1 ARG B 18 7.736 5.066 -5.847 1.00 0.00 N ATOM 238 NH2 ARG B 18 8.443 7.259 -5.839 1.00 0.00 N ATOM 0 H ARG B 18 14.420 4.094 -7.045 1.00 0.00 H new ATOM 0 HA ARG B 18 12.448 3.014 -5.168 1.00 0.00 H new ATOM 0 HB2 ARG B 18 12.002 4.972 -6.562 1.00 0.00 H new ATOM 0 HB3 ARG B 18 12.323 4.038 -8.009 1.00 0.00 H new ATOM 0 HG2 ARG B 18 10.436 2.477 -7.377 1.00 0.00 H new ATOM 0 HG3 ARG B 18 10.089 3.495 -5.994 1.00 0.00 H new ATOM 0 HD2 ARG B 18 10.109 4.524 -8.869 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.662 3.947 -8.067 1.00 0.00 H new ATOM 0 HE ARG B 18 10.021 6.504 -7.631 1.00 0.00 H new ATOM 0 HH11 ARG B 18 7.797 4.114 -6.208 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.061 5.292 -5.116 1.00 0.00 H new ATOM 0 HH21 ARG B 18 9.050 7.998 -6.194 1.00 0.00 H new ATOM 0 HH22 ARG B 18 7.762 7.465 -5.108 1.00 0.00 H new ATOM 252 N SER B 19 13.285 0.637 -5.923 1.00 0.00 N ATOM 253 CA SER B 19 13.441 -0.747 -6.333 1.00 0.00 C ATOM 254 C SER B 19 12.049 -1.367 -6.487 1.00 0.00 C ATOM 255 O SER B 19 11.434 -1.232 -7.545 1.00 0.00 O ATOM 256 CB SER B 19 14.355 -1.482 -5.341 1.00 0.00 C ATOM 257 OG SER B 19 14.516 -2.829 -5.737 1.00 0.00 O ATOM 0 H SER B 19 13.502 0.798 -4.939 1.00 0.00 H new ATOM 0 HA SER B 19 13.934 -0.829 -7.302 1.00 0.00 H new ATOM 0 HB2 SER B 19 15.326 -0.989 -5.296 1.00 0.00 H new ATOM 0 HB3 SER B 19 13.928 -1.438 -4.339 1.00 0.00 H new ATOM 0 HG SER B 19 15.101 -3.289 -5.100 1.00 0.00 H new ATOM 263 N GLN B 20 11.558 -2.028 -5.435 1.00 0.00 N ATOM 264 CA GLN B 20 10.191 -2.498 -5.286 1.00 0.00 C ATOM 265 C GLN B 20 9.890 -2.495 -3.792 1.00 0.00 C ATOM 266 O GLN B 20 10.809 -2.557 -2.975 1.00 0.00 O ATOM 267 CB GLN B 20 9.986 -3.916 -5.835 1.00 0.00 C ATOM 268 CG GLN B 20 10.327 -4.056 -7.321 1.00 0.00 C ATOM 269 CD GLN B 20 9.989 -5.450 -7.841 1.00 0.00 C ATOM 270 OE1 GLN B 20 10.875 -6.283 -8.013 1.00 0.00 O ATOM 271 NE2 GLN B 20 8.705 -5.708 -8.096 1.00 0.00 N ATOM 0 H GLN B 20 12.138 -2.258 -4.628 1.00 0.00 H new ATOM 0 HA GLN B 20 9.527 -1.845 -5.853 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.602 -4.610 -5.263 1.00 0.00 H new ATOM 0 HB3 GLN B 20 8.948 -4.209 -5.680 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.777 -3.309 -7.894 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.388 -3.857 -7.473 1.00 0.00 H new ATOM 0 HE21 GLN B 20 7.999 -4.988 -7.940 1.00 0.00 H new ATOM 0 HE22 GLN B 20 8.429 -6.625 -8.447 1.00 0.00 H new ATOM 280 N LEU B 21 8.599 -2.446 -3.452 1.00 0.00 N ATOM 281 CA LEU B 21 8.091 -2.421 -2.092 1.00 0.00 C ATOM 282 C LEU B 21 8.900 -1.479 -1.187 1.00 0.00 C ATOM 283 O LEU B 21 9.292 -1.843 -0.079 1.00 0.00 O ATOM 284 CB LEU B 21 7.998 -3.872 -1.584 1.00 0.00 C ATOM 285 CG LEU B 21 6.695 -4.087 -0.814 1.00 0.00 C ATOM 286 CD1 LEU B 21 6.422 -5.581 -0.597 1.00 0.00 C ATOM 287 CD2 LEU B 21 6.734 -3.365 0.536 1.00 0.00 C ATOM 0 H LEU B 21 7.856 -2.422 -4.150 1.00 0.00 H new ATOM 0 HA LEU B 21 7.088 -1.995 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU B 21 8.048 -4.562 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.849 -4.093 -0.940 1.00 0.00 H new ATOM 0 HG LEU B 21 5.887 -3.669 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU B 21 5.489 -5.704 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU B 21 6.343 -6.080 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU B 21 7.240 -6.021 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU B 21 5.796 -3.533 1.065 1.00 0.00 H new ATOM 0 HD22 LEU B 21 7.561 -3.752 1.132 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.873 -2.296 0.373 1.00 0.00 H new ATOM 299 N ASP B 22 9.164 -0.264 -1.684 1.00 0.00 N ATOM 300 CA ASP B 22 10.047 0.690 -1.028 1.00 0.00 C ATOM 301 C ASP B 22 9.296 1.440 0.078 1.00 0.00 C ATOM 302 O ASP B 22 8.163 1.099 0.423 1.00 0.00 O ATOM 303 CB ASP B 22 10.653 1.647 -2.071 1.00 0.00 C ATOM 304 CG ASP B 22 11.199 0.914 -3.296 1.00 0.00 C ATOM 305 OD1 ASP B 22 12.377 0.502 -3.239 1.00 0.00 O ATOM 306 OD2 ASP B 22 10.423 0.777 -4.268 1.00 0.00 O ATOM 0 H ASP B 22 8.765 0.080 -2.558 1.00 0.00 H new ATOM 0 HA ASP B 22 10.870 0.157 -0.552 1.00 0.00 H new ATOM 0 HB2 ASP B 22 9.893 2.361 -2.388 1.00 0.00 H new ATOM 0 HB3 ASP B 22 11.456 2.221 -1.608 1.00 0.00 H new ATOM 311 N ARG B 23 9.940 2.473 0.631 1.00 0.00 N ATOM 312 CA ARG B 23 9.374 3.340 1.655 1.00 0.00 C ATOM 313 C ARG B 23 8.108 4.011 1.107 1.00 0.00 C ATOM 314 O ARG B 23 7.024 3.850 1.660 1.00 0.00 O ATOM 315 CB ARG B 23 10.452 4.350 2.083 1.00 0.00 C ATOM 316 CG ARG B 23 10.205 5.003 3.449 1.00 0.00 C ATOM 317 CD ARG B 23 10.271 3.991 4.601 1.00 0.00 C ATOM 318 NE ARG B 23 10.828 4.608 5.813 1.00 0.00 N ATOM 319 CZ ARG B 23 11.033 3.986 6.985 1.00 0.00 C ATOM 320 NH1 ARG B 23 10.768 2.680 7.129 1.00 0.00 N ATOM 321 NH2 ARG B 23 11.489 4.696 8.023 1.00 0.00 N ATOM 0 H ARG B 23 10.891 2.731 0.369 1.00 0.00 H new ATOM 0 HA ARG B 23 9.075 2.776 2.539 1.00 0.00 H new ATOM 0 HB2 ARG B 23 11.417 3.844 2.105 1.00 0.00 H new ATOM 0 HB3 ARG B 23 10.519 5.132 1.327 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.945 5.786 3.614 1.00 0.00 H new ATOM 0 HG3 ARG B 23 9.227 5.484 3.447 1.00 0.00 H new ATOM 0 HD2 ARG B 23 9.273 3.607 4.810 1.00 0.00 H new ATOM 0 HD3 ARG B 23 10.885 3.140 4.307 1.00 0.00 H new ATOM 0 HE ARG B 23 11.081 5.595 5.759 1.00 0.00 H new ATOM 0 HH11 ARG B 23 10.405 2.143 6.341 1.00 0.00 H new ATOM 0 HH12 ARG B 23 10.929 2.223 8.026 1.00 0.00 H new ATOM 0 HH21 ARG B 23 11.675 5.693 7.916 1.00 0.00 H new ATOM 0 HH22 ARG B 23 11.651 4.240 8.921 1.00 0.00 H new ATOM 335 N ASP B 24 8.269 4.727 -0.011 1.00 0.00 N ATOM 336 CA ASP B 24 7.245 5.471 -0.732 1.00 0.00 C ATOM 337 C ASP B 24 6.055 4.619 -1.195 1.00 0.00 C ATOM 338 O ASP B 24 4.912 5.046 -1.047 1.00 0.00 O ATOM 339 CB ASP B 24 7.912 6.152 -1.935 1.00 0.00 C ATOM 340 CG ASP B 24 6.923 6.996 -2.732 1.00 0.00 C ATOM 341 OD1 ASP B 24 6.592 8.099 -2.250 1.00 0.00 O ATOM 342 OD2 ASP B 24 6.531 6.530 -3.825 1.00 0.00 O ATOM 0 H ASP B 24 9.181 4.804 -0.461 1.00 0.00 H new ATOM 0 HA ASP B 24 6.821 6.199 -0.041 1.00 0.00 H new ATOM 0 HB2 ASP B 24 8.730 6.783 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP B 24 8.349 5.394 -2.585 1.00 0.00 H new ATOM 347 N GLN B 25 6.315 3.453 -1.802 1.00 0.00 N ATOM 348 CA GLN B 25 5.296 2.662 -2.490 1.00 0.00 C ATOM 349 C GLN B 25 4.282 2.004 -1.556 1.00 0.00 C ATOM 350 O GLN B 25 4.588 1.720 -0.398 1.00 0.00 O ATOM 351 CB GLN B 25 5.950 1.556 -3.328 1.00 0.00 C ATOM 352 CG GLN B 25 7.133 2.081 -4.141 1.00 0.00 C ATOM 353 CD GLN B 25 7.422 1.246 -5.385 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.746 1.799 -6.433 1.00 0.00 O ATOM 355 NE2 GLN B 25 7.296 -0.080 -5.279 1.00 0.00 N ATOM 0 H GLN B 25 7.244 3.033 -1.827 1.00 0.00 H new ATOM 0 HA GLN B 25 4.759 3.375 -3.116 1.00 0.00 H new ATOM 0 HB2 GLN B 25 6.288 0.755 -2.671 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.209 1.125 -4.002 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.933 3.110 -4.440 1.00 0.00 H new ATOM 0 HG3 GLN B 25 8.021 2.100 -3.509 1.00 0.00 H new ATOM 0 HE21 GLN B 25 7.025 -0.497 -4.389 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.471 -0.675 -6.089 1.00 0.00 H new ATOM 364 N CYS B 26 3.093 1.706 -2.104 1.00 0.00 N ATOM 365 CA CYS B 26 2.107 0.876 -1.433 1.00 0.00 C ATOM 366 C CYS B 26 2.689 -0.525 -1.282 1.00 0.00 C ATOM 367 O CYS B 26 3.093 -1.159 -2.253 1.00 0.00 O ATOM 368 CB CYS B 26 0.767 0.826 -2.184 1.00 0.00 C ATOM 369 SG CYS B 26 -0.390 -0.354 -1.433 1.00 0.00 S ATOM 0 H CYS B 26 2.799 2.038 -3.023 1.00 0.00 H new ATOM 0 HA CYS B 26 1.891 1.312 -0.457 1.00 0.00 H new ATOM 0 HB2 CYS B 26 0.318 1.819 -2.191 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.944 0.549 -3.223 1.00 0.00 H new ATOM 374 N ALA B 27 2.747 -1.005 -0.046 1.00 0.00 N ATOM 375 CA ALA B 27 3.299 -2.306 0.277 1.00 0.00 C ATOM 376 C ALA B 27 2.506 -3.452 -0.355 1.00 0.00 C ATOM 377 O ALA B 27 3.074 -4.476 -0.728 1.00 0.00 O ATOM 378 CB ALA B 27 3.284 -2.447 1.792 1.00 0.00 C ATOM 0 H ALA B 27 2.407 -0.492 0.767 1.00 0.00 H new ATOM 0 HA ALA B 27 4.311 -2.368 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.694 -3.418 2.071 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.888 -1.656 2.237 1.00 0.00 H new ATOM 0 HB3 ALA B 27 2.259 -2.368 2.155 1.00 0.00 H new ATOM 384 N TYR B 28 1.186 -3.270 -0.439 1.00 0.00 N ATOM 385 CA TYR B 28 0.211 -4.282 -0.798 1.00 0.00 C ATOM 386 C TYR B 28 0.220 -4.563 -2.294 1.00 0.00 C ATOM 387 O TYR B 28 0.272 -5.716 -2.717 1.00 0.00 O ATOM 388 CB TYR B 28 -1.169 -3.764 -0.379 1.00 0.00 C ATOM 389 CG TYR B 28 -2.257 -4.820 -0.306 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.331 -5.681 0.804 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.196 -4.949 -1.345 1.00 0.00 C ATOM 392 CE1 TYR B 28 -3.303 -6.694 0.852 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.164 -5.967 -1.304 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.214 -6.844 -0.207 1.00 0.00 C ATOM 395 OH TYR B 28 -5.154 -7.831 -0.162 1.00 0.00 O ATOM 0 H TYR B 28 0.755 -2.366 -0.248 1.00 0.00 H new ATOM 0 HA TYR B 28 0.455 -5.216 -0.291 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.080 -3.288 0.597 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -1.480 -2.992 -1.083 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -1.637 -5.563 1.623 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -3.173 -4.262 -2.178 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -3.350 -7.357 1.703 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -4.869 -6.075 -2.115 1.00 0.00 H new ATOM 0 HH TYR B 28 -5.705 -7.796 -0.972 1.00 0.00 H new ATOM 405 N CYS B 29 0.130 -3.482 -3.072 1.00 0.00 N ATOM 406 CA CYS B 29 -0.104 -3.513 -4.506 1.00 0.00 C ATOM 407 C CYS B 29 0.762 -2.513 -5.280 1.00 0.00 C ATOM 408 O CYS B 29 0.726 -2.535 -6.509 1.00 0.00 O ATOM 409 CB CYS B 29 -1.594 -3.271 -4.761 1.00 0.00 C ATOM 410 SG CYS B 29 -2.148 -1.551 -4.638 1.00 0.00 S ATOM 0 H CYS B 29 0.222 -2.535 -2.704 1.00 0.00 H new ATOM 0 HA CYS B 29 0.188 -4.495 -4.878 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -1.837 -3.640 -5.757 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.166 -3.868 -4.051 1.00 0.00 H new ATOM 415 N LYS B 30 1.559 -1.684 -4.581 1.00 0.00 N ATOM 416 CA LYS B 30 2.533 -0.750 -5.156 1.00 0.00 C ATOM 417 C LYS B 30 1.998 -0.030 -6.400 1.00 0.00 C ATOM 418 O LYS B 30 2.598 -0.072 -7.473 1.00 0.00 O ATOM 419 CB LYS B 30 3.906 -1.426 -5.345 1.00 0.00 C ATOM 420 CG LYS B 30 3.903 -2.731 -6.148 1.00 0.00 C ATOM 421 CD LYS B 30 3.473 -3.971 -5.342 1.00 0.00 C ATOM 422 CE LYS B 30 4.625 -4.951 -5.090 1.00 0.00 C ATOM 423 NZ LYS B 30 5.656 -4.375 -4.211 1.00 0.00 N ATOM 0 H LYS B 30 1.538 -1.648 -3.562 1.00 0.00 H new ATOM 0 HA LYS B 30 2.695 0.053 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS B 30 4.573 -0.719 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.329 -1.628 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS B 30 3.234 -2.617 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS B 30 4.903 -2.901 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS B 30 3.060 -3.651 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.675 -4.486 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS B 30 4.233 -5.863 -4.640 1.00 0.00 H new ATOM 0 HE3 LYS B 30 5.076 -5.233 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 6.224 -5.140 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 6.273 -3.748 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 5.200 -3.830 -3.452 1.00 0.00 H new ATOM 437 N GLU B 31 0.846 0.628 -6.222 1.00 0.00 N ATOM 438 CA GLU B 31 0.081 1.293 -7.271 1.00 0.00 C ATOM 439 C GLU B 31 0.615 2.706 -7.561 1.00 0.00 C ATOM 440 O GLU B 31 1.819 2.948 -7.506 1.00 0.00 O ATOM 441 CB GLU B 31 -1.401 1.290 -6.868 1.00 0.00 C ATOM 442 CG GLU B 31 -2.349 1.246 -8.074 1.00 0.00 C ATOM 443 CD GLU B 31 -3.736 1.737 -7.678 1.00 0.00 C ATOM 444 OE1 GLU B 31 -3.891 2.976 -7.603 1.00 0.00 O ATOM 445 OE2 GLU B 31 -4.603 0.870 -7.434 1.00 0.00 O ATOM 0 H GLU B 31 0.408 0.712 -5.305 1.00 0.00 H new ATOM 0 HA GLU B 31 0.191 0.748 -8.209 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.596 0.430 -6.228 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.613 2.181 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -1.953 1.866 -8.879 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -2.413 0.228 -8.458 1.00 0.00 H new ATOM 452 N LYS B 32 -0.294 3.630 -7.895 1.00 0.00 N ATOM 453 CA LYS B 32 -0.007 4.957 -8.411 1.00 0.00 C ATOM 454 C LYS B 32 0.316 5.943 -7.289 1.00 0.00 C ATOM 455 O LYS B 32 1.436 6.446 -7.227 1.00 0.00 O ATOM 456 CB LYS B 32 -1.221 5.437 -9.219 1.00 0.00 C ATOM 457 CG LYS B 32 -1.399 4.629 -10.512 1.00 0.00 C ATOM 458 CD LYS B 32 -2.801 4.807 -11.112 1.00 0.00 C ATOM 459 CE LYS B 32 -3.163 6.263 -11.433 1.00 0.00 C ATOM 460 NZ LYS B 32 -2.212 6.878 -12.375 1.00 0.00 N ATOM 0 H LYS B 32 -1.295 3.456 -7.805 1.00 0.00 H new ATOM 0 HA LYS B 32 0.875 4.907 -9.050 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.121 5.351 -8.610 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -1.101 6.493 -9.463 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -0.650 4.941 -11.240 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -1.224 3.573 -10.307 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -2.872 4.216 -12.025 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.537 4.406 -10.415 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.167 6.301 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -3.184 6.842 -10.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -2.515 7.850 -12.589 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -1.264 6.897 -11.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -2.185 6.322 -13.254 1.00 0.00 H new ATOM 474 N GLY B 33 -0.673 6.256 -6.438 1.00 0.00 N ATOM 475 CA GLY B 33 -0.559 7.338 -5.471 1.00 0.00 C ATOM 476 C GLY B 33 -1.390 7.101 -4.213 1.00 0.00 C ATOM 477 O GLY B 33 -2.239 7.920 -3.868 1.00 0.00 O ATOM 0 H GLY B 33 -1.566 5.764 -6.407 1.00 0.00 H new ATOM 0 HA2 GLY B 33 0.487 7.460 -5.191 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -0.875 8.271 -5.938 1.00 0.00 H new ATOM 481 N HIS B 34 -1.117 5.993 -3.519 1.00 0.00 N ATOM 482 CA HIS B 34 -1.629 5.715 -2.183 1.00 0.00 C ATOM 483 C HIS B 34 -0.606 4.824 -1.467 1.00 0.00 C ATOM 484 O HIS B 34 0.474 4.580 -2.006 1.00 0.00 O ATOM 485 CB HIS B 34 -3.052 5.128 -2.230 1.00 0.00 C ATOM 486 CG HIS B 34 -3.124 3.719 -2.754 1.00 0.00 C ATOM 487 ND1 HIS B 34 -3.708 3.339 -3.941 1.00 0.00 N ATOM 488 CD2 HIS B 34 -2.684 2.544 -2.217 1.00 0.00 C ATOM 489 CE1 HIS B 34 -3.524 2.010 -4.035 1.00 0.00 C ATOM 490 NE2 HIS B 34 -2.896 1.424 -3.002 1.00 0.00 N ATOM 0 H HIS B 34 -0.520 5.250 -3.882 1.00 0.00 H new ATOM 0 HA HIS B 34 -1.741 6.635 -1.610 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.476 5.152 -1.226 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -3.676 5.768 -2.854 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.183 3.942 -4.612 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.205 2.492 -1.250 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -3.862 1.446 -4.892 1.00 0.00 H new ATOM 498 N TRP B 35 -0.930 4.346 -0.259 1.00 0.00 N ATOM 499 CA TRP B 35 -0.021 3.553 0.562 1.00 0.00 C ATOM 500 C TRP B 35 -0.736 2.355 1.185 1.00 0.00 C ATOM 501 O TRP B 35 -1.962 2.306 1.156 1.00 0.00 O ATOM 502 CB TRP B 35 0.561 4.475 1.629 1.00 0.00 C ATOM 503 CG TRP B 35 1.995 4.273 1.972 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.998 4.024 1.104 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.611 4.351 3.279 1.00 0.00 C ATOM 506 NE1 TRP B 35 4.195 3.959 1.780 1.00 0.00 N ATOM 507 CE2 TRP B 35 4.013 4.168 3.129 1.00 0.00 C ATOM 508 CE3 TRP B 35 2.120 4.598 4.574 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.890 4.213 4.217 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.988 4.651 5.673 1.00 0.00 C ATOM 511 CH2 TRP B 35 4.370 4.470 5.494 1.00 0.00 C ATOM 0 H TRP B 35 -1.840 4.503 0.175 1.00 0.00 H new ATOM 0 HA TRP B 35 0.780 3.142 -0.053 1.00 0.00 H new ATOM 0 HB2 TRP B 35 0.432 5.505 1.297 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.027 4.357 2.539 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.879 3.895 0.038 1.00 0.00 H new ATOM 0 HE1 TRP B 35 5.098 3.780 1.340 1.00 0.00 H new ATOM 0 HE3 TRP B 35 1.061 4.749 4.723 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.949 4.053 4.077 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.593 4.832 6.662 1.00 0.00 H new ATOM 0 HH2 TRP B 35 5.035 4.529 6.343 1.00 0.00 H new ATOM 522 N ALA B 36 0.009 1.399 1.764 1.00 0.00 N ATOM 523 CA ALA B 36 -0.596 0.196 2.341 1.00 0.00 C ATOM 524 C ALA B 36 -1.655 0.547 3.387 1.00 0.00 C ATOM 525 O ALA B 36 -2.691 -0.112 3.455 1.00 0.00 O ATOM 526 CB ALA B 36 0.453 -0.762 2.909 1.00 0.00 C ATOM 0 H ALA B 36 1.025 1.439 1.843 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.096 -0.327 1.526 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.043 -1.639 3.326 1.00 0.00 H new ATOM 0 HB2 ALA B 36 1.131 -1.072 2.114 1.00 0.00 H new ATOM 0 HB3 ALA B 36 1.019 -0.259 3.693 1.00 0.00 H new ATOM 532 N LYS B 37 -1.421 1.621 4.154 1.00 0.00 N ATOM 533 CA LYS B 37 -2.384 2.187 5.084 1.00 0.00 C ATOM 534 C LYS B 37 -3.737 2.448 4.415 1.00 0.00 C ATOM 535 O LYS B 37 -4.784 2.068 4.937 1.00 0.00 O ATOM 536 CB LYS B 37 -1.844 3.497 5.665 1.00 0.00 C ATOM 537 CG LYS B 37 -0.670 3.223 6.608 1.00 0.00 C ATOM 538 CD LYS B 37 -0.223 4.467 7.386 1.00 0.00 C ATOM 539 CE LYS B 37 -1.276 4.966 8.381 1.00 0.00 C ATOM 540 NZ LYS B 37 -0.738 6.044 9.229 1.00 0.00 N ATOM 0 H LYS B 37 -0.534 2.125 4.138 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.535 1.459 5.881 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -1.523 4.155 4.857 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -2.637 4.017 6.203 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -0.953 2.442 7.314 1.00 0.00 H new ATOM 0 HG3 LYS B 37 0.171 2.841 6.030 1.00 0.00 H new ATOM 0 HD2 LYS B 37 0.697 4.240 7.924 1.00 0.00 H new ATOM 0 HD3 LYS B 37 0.008 5.265 6.681 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -2.150 5.328 7.839 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -1.609 4.139 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -1.472 6.363 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 0.081 5.690 9.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -0.443 6.842 8.631 1.00 0.00 H new ATOM 554 N ASP B 38 -3.686 3.116 3.260 1.00 0.00 N ATOM 555 CA ASP B 38 -4.824 3.672 2.541 1.00 0.00 C ATOM 556 C ASP B 38 -5.287 2.760 1.401 1.00 0.00 C ATOM 557 O ASP B 38 -6.160 3.147 0.628 1.00 0.00 O ATOM 558 CB ASP B 38 -4.381 5.031 1.971 1.00 0.00 C ATOM 559 CG ASP B 38 -5.543 5.857 1.426 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.461 6.144 2.224 1.00 0.00 O ATOM 561 OD2 ASP B 38 -5.487 6.193 0.223 1.00 0.00 O ATOM 0 H ASP B 38 -2.803 3.290 2.781 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.667 3.775 3.224 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -3.874 5.598 2.752 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -3.655 4.866 1.175 1.00 0.00 H new ATOM 566 N CYS B 39 -4.707 1.559 1.272 1.00 0.00 N ATOM 567 CA CYS B 39 -4.903 0.730 0.103 1.00 0.00 C ATOM 568 C CYS B 39 -6.386 0.389 -0.119 1.00 0.00 C ATOM 569 O CYS B 39 -7.024 -0.152 0.784 1.00 0.00 O ATOM 570 CB CYS B 39 -4.054 -0.528 0.225 1.00 0.00 C ATOM 571 SG CYS B 39 -3.951 -1.486 -1.308 1.00 0.00 S ATOM 0 H CYS B 39 -4.095 1.148 1.977 1.00 0.00 H new ATOM 0 HA CYS B 39 -4.583 1.291 -0.775 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.048 -0.248 0.537 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.467 -1.160 1.011 1.00 0.00 H new ATOM 576 N PRO B 40 -6.943 0.717 -1.297 1.00 0.00 N ATOM 577 CA PRO B 40 -8.325 0.469 -1.662 1.00 0.00 C ATOM 578 C PRO B 40 -8.567 -0.980 -2.100 1.00 0.00 C ATOM 579 O PRO B 40 -9.681 -1.482 -1.955 1.00 0.00 O ATOM 580 CB PRO B 40 -8.611 1.467 -2.775 1.00 0.00 C ATOM 581 CG PRO B 40 -7.278 1.563 -3.509 1.00 0.00 C ATOM 582 CD PRO B 40 -6.275 1.435 -2.366 1.00 0.00 C ATOM 0 HA PRO B 40 -8.997 0.600 -0.814 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -9.408 1.120 -3.432 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -8.923 2.433 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.160 0.768 -4.246 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.172 2.509 -4.040 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -5.384 0.899 -2.693 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -5.949 2.418 -2.026 1.00 0.00 H new ATOM 590 N LYS B 41 -7.532 -1.640 -2.632 1.00 0.00 N ATOM 591 CA LYS B 41 -7.501 -3.006 -3.082 1.00 0.00 C ATOM 592 C LYS B 41 -7.549 -3.945 -1.874 1.00 0.00 C ATOM 593 O LYS B 41 -8.270 -4.940 -1.870 1.00 0.00 O ATOM 594 CB LYS B 41 -6.164 -3.140 -3.812 1.00 0.00 C ATOM 595 CG LYS B 41 -6.031 -2.328 -5.108 1.00 0.00 C ATOM 596 CD LYS B 41 -6.568 -3.097 -6.319 1.00 0.00 C ATOM 597 CE LYS B 41 -6.497 -2.263 -7.604 1.00 0.00 C ATOM 598 NZ LYS B 41 -5.130 -1.797 -7.904 1.00 0.00 N ATOM 0 H LYS B 41 -6.630 -1.182 -2.762 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.345 -3.261 -3.723 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.367 -2.838 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.002 -4.192 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -6.573 -1.388 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -4.983 -2.076 -5.273 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -5.994 -4.015 -6.450 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -7.601 -3.391 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -6.865 -2.858 -8.440 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -7.158 -1.401 -7.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.914 -1.977 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -5.061 -0.777 -7.713 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -4.450 -2.308 -7.305 1.00 0.00 H new ATOM 612 N LYS B 42 -6.771 -3.591 -0.846 1.00 0.00 N ATOM 613 CA LYS B 42 -6.729 -4.209 0.467 1.00 0.00 C ATOM 614 C LYS B 42 -8.141 -4.213 1.075 1.00 0.00 C ATOM 615 O LYS B 42 -8.882 -3.260 0.846 1.00 0.00 O ATOM 616 CB LYS B 42 -5.748 -3.376 1.306 1.00 0.00 C ATOM 617 CG LYS B 42 -5.464 -3.885 2.717 1.00 0.00 C ATOM 618 CD LYS B 42 -4.528 -2.987 3.541 1.00 0.00 C ATOM 619 CE LYS B 42 -5.233 -1.831 4.274 1.00 0.00 C ATOM 620 NZ LYS B 42 -5.490 -0.660 3.417 1.00 0.00 N ATOM 0 H LYS B 42 -6.114 -2.814 -0.922 1.00 0.00 H new ATOM 0 HA LYS B 42 -6.397 -5.246 0.427 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -4.802 -3.316 0.767 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.138 -2.361 1.380 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -6.409 -3.989 3.250 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -5.025 -4.881 2.649 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -4.008 -3.603 4.275 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -3.769 -2.571 2.879 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -6.180 -2.191 4.677 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -4.622 -1.523 5.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -5.856 0.121 3.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -4.605 -0.365 2.958 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -6.191 -0.909 2.690 1.00 0.00 H new ATOM 634 N PRO B 43 -8.520 -5.251 1.844 1.00 0.00 N ATOM 635 CA PRO B 43 -9.789 -5.362 2.565 1.00 0.00 C ATOM 636 C PRO B 43 -10.274 -4.108 3.305 1.00 0.00 C ATOM 637 O PRO B 43 -11.479 -3.956 3.495 1.00 0.00 O ATOM 638 CB PRO B 43 -9.584 -6.516 3.547 1.00 0.00 C ATOM 639 CG PRO B 43 -8.662 -7.450 2.770 1.00 0.00 C ATOM 640 CD PRO B 43 -7.763 -6.486 1.996 1.00 0.00 C ATOM 0 HA PRO B 43 -10.582 -5.522 1.834 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -9.130 -6.180 4.479 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -10.526 -6.999 3.808 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -8.085 -8.092 3.435 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -9.222 -8.104 2.101 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -6.832 -6.307 2.533 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -7.496 -6.900 1.024 1.00 0.00 H new ATOM 648 N ARG B 44 -9.354 -3.230 3.734 1.00 0.00 N ATOM 649 CA ARG B 44 -9.609 -1.965 4.424 1.00 0.00 C ATOM 650 C ARG B 44 -9.938 -2.196 5.901 1.00 0.00 C ATOM 651 O ARG B 44 -9.276 -1.637 6.773 1.00 0.00 O ATOM 652 CB ARG B 44 -10.684 -1.097 3.738 1.00 0.00 C ATOM 653 CG ARG B 44 -10.499 -1.006 2.219 1.00 0.00 C ATOM 654 CD ARG B 44 -11.447 0.009 1.579 1.00 0.00 C ATOM 655 NE ARG B 44 -11.376 -0.099 0.117 1.00 0.00 N ATOM 656 CZ ARG B 44 -12.112 0.604 -0.757 1.00 0.00 C ATOM 657 NH1 ARG B 44 -13.001 1.514 -0.333 1.00 0.00 N ATOM 658 NH2 ARG B 44 -11.948 0.385 -2.068 1.00 0.00 N ATOM 0 H ARG B 44 -8.357 -3.397 3.599 1.00 0.00 H new ATOM 0 HA ARG B 44 -8.681 -1.396 4.363 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -11.669 -1.510 3.955 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -10.658 -0.093 4.163 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -9.469 -0.728 1.997 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -10.667 -1.987 1.775 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -12.468 -0.169 1.917 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -11.179 1.018 1.892 1.00 0.00 H new ATOM 0 HE ARG B 44 -10.709 -0.767 -0.268 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -13.125 1.679 0.666 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -13.553 2.041 -1.009 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -11.271 -0.308 -2.389 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -12.500 0.911 -2.746 1.00 0.00 H new ATOM 672 N GLY B 45 -10.964 -3.011 6.177 1.00 0.00 N ATOM 673 CA GLY B 45 -11.450 -3.288 7.519 1.00 0.00 C ATOM 674 C GLY B 45 -12.192 -2.077 8.091 1.00 0.00 C ATOM 675 O GLY B 45 -11.733 -1.499 9.075 1.00 0.00 O ATOM 0 H GLY B 45 -11.486 -3.503 5.452 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -12.115 -4.151 7.498 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -10.613 -3.546 8.167 1.00 0.00 H new ATOM 679 N PRO B 46 -13.330 -1.680 7.494 1.00 0.00 N ATOM 680 CA PRO B 46 -14.087 -0.511 7.916 1.00 0.00 C ATOM 681 C PRO B 46 -14.762 -0.741 9.272 1.00 0.00 C ATOM 682 O PRO B 46 -14.732 0.147 10.121 1.00 0.00 O ATOM 683 CB PRO B 46 -15.096 -0.257 6.795 1.00 0.00 C ATOM 684 CG PRO B 46 -15.327 -1.646 6.200 1.00 0.00 C ATOM 685 CD PRO B 46 -13.958 -2.309 6.342 1.00 0.00 C ATOM 0 HA PRO B 46 -13.447 0.358 8.068 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -16.021 0.174 7.178 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -14.704 0.438 6.052 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -16.099 -2.194 6.740 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -15.644 -1.592 5.158 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -14.058 -3.384 6.490 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -13.359 -2.165 5.443 1.00 0.00 H new ATOM 693 N ARG B 47 -15.344 -1.932 9.477 1.00 0.00 N ATOM 694 CA ARG B 47 -15.870 -2.404 10.753 1.00 0.00 C ATOM 695 C ARG B 47 -17.000 -1.509 11.276 1.00 0.00 C ATOM 696 O ARG B 47 -16.772 -0.625 12.101 1.00 0.00 O ATOM 697 CB ARG B 47 -14.719 -2.567 11.760 1.00 0.00 C ATOM 698 CG ARG B 47 -15.169 -3.307 13.028 1.00 0.00 C ATOM 699 CD ARG B 47 -14.010 -3.457 14.018 1.00 0.00 C ATOM 700 NE ARG B 47 -13.553 -2.149 14.510 1.00 0.00 N ATOM 701 CZ ARG B 47 -12.501 -1.956 15.323 1.00 0.00 C ATOM 702 NH1 ARG B 47 -11.780 -2.994 15.769 1.00 0.00 N ATOM 703 NH2 ARG B 47 -12.171 -0.711 15.691 1.00 0.00 N ATOM 0 H ARG B 47 -15.462 -2.613 8.727 1.00 0.00 H new ATOM 0 HA ARG B 47 -16.325 -3.383 10.605 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -13.901 -3.114 11.291 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -14.332 -1.585 12.031 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -15.987 -2.762 13.500 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -15.554 -4.291 12.761 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -14.326 -4.074 14.859 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -13.182 -3.976 13.535 1.00 0.00 H new ATOM 0 HE ARG B 47 -14.075 -1.325 14.211 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -12.028 -3.944 15.492 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -10.984 -2.834 16.386 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -12.717 0.082 15.354 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -11.374 -0.556 16.308 1.00 0.00 H new ATOM 717 N GLY B 48 -18.232 -1.764 10.820 1.00 0.00 N ATOM 718 CA GLY B 48 -19.418 -1.076 11.309 1.00 0.00 C ATOM 719 C GLY B 48 -20.670 -1.541 10.560 1.00 0.00 C ATOM 720 O GLY B 48 -20.555 -2.287 9.587 1.00 0.00 O ATOM 0 H GLY B 48 -18.428 -2.458 10.098 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -19.538 -1.264 12.376 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -19.295 0.000 11.186 1.00 0.00 H new ATOM 724 N PRO B 49 -21.865 -1.096 10.985 1.00 0.00 N ATOM 725 CA PRO B 49 -23.144 -1.422 10.383 1.00 0.00 C ATOM 726 C PRO B 49 -23.496 -0.249 9.467 1.00 0.00 C ATOM 727 O PRO B 49 -24.564 0.352 9.580 1.00 0.00 O ATOM 728 CB PRO B 49 -24.076 -1.495 11.593 1.00 0.00 C ATOM 729 CG PRO B 49 -23.570 -0.349 12.480 1.00 0.00 C ATOM 730 CD PRO B 49 -22.104 -0.155 12.067 1.00 0.00 C ATOM 0 HA PRO B 49 -23.185 -2.338 9.794 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -25.119 -1.357 11.309 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -24.008 -2.458 12.099 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -24.150 0.560 12.321 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -23.654 -0.600 13.537 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -21.923 0.869 11.741 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -21.434 -0.346 12.905 1.00 0.00 H new ATOM 738 N ARG B 50 -22.551 0.110 8.594 1.00 0.00 N ATOM 739 CA ARG B 50 -22.615 1.343 7.835 1.00 0.00 C ATOM 740 C ARG B 50 -23.791 1.335 6.851 1.00 0.00 C ATOM 741 O ARG B 50 -24.085 0.291 6.269 1.00 0.00 O ATOM 742 CB ARG B 50 -21.309 1.538 7.057 1.00 0.00 C ATOM 743 CG ARG B 50 -20.089 1.674 7.978 1.00 0.00 C ATOM 744 CD ARG B 50 -18.783 1.730 7.173 1.00 0.00 C ATOM 745 NE ARG B 50 -18.665 0.630 6.203 1.00 0.00 N ATOM 746 CZ ARG B 50 -18.601 -0.679 6.498 1.00 0.00 C ATOM 747 NH1 ARG B 50 -18.504 -1.095 7.767 1.00 0.00 N ATOM 748 NH2 ARG B 50 -18.630 -1.585 5.513 1.00 0.00 N ATOM 0 H ARG B 50 -21.723 -0.453 8.400 1.00 0.00 H new ATOM 0 HA ARG B 50 -22.760 2.163 8.539 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -21.160 0.692 6.386 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -21.391 2.429 6.434 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -20.185 2.577 8.581 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -20.057 0.831 8.669 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -18.727 2.682 6.645 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -17.937 1.696 7.859 1.00 0.00 H new ATOM 0 HE ARG B 50 -18.628 0.885 5.216 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -18.478 -0.414 8.526 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -18.456 -2.093 7.974 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -18.700 -1.281 4.542 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -18.582 -2.580 5.733 1.00 0.00 H new ATOM 762 N PRO B 51 -24.440 2.488 6.619 1.00 0.00 N ATOM 763 CA PRO B 51 -25.420 2.643 5.556 1.00 0.00 C ATOM 764 C PRO B 51 -24.724 2.576 4.191 1.00 0.00 C ATOM 765 O PRO B 51 -25.249 1.969 3.260 1.00 0.00 O ATOM 766 CB PRO B 51 -26.078 4.002 5.807 1.00 0.00 C ATOM 767 CG PRO B 51 -24.989 4.808 6.516 1.00 0.00 C ATOM 768 CD PRO B 51 -24.220 3.750 7.310 1.00 0.00 C ATOM 0 HA PRO B 51 -26.169 1.851 5.551 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -26.384 4.477 4.875 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -26.971 3.906 6.424 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -24.344 5.323 5.804 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -25.415 5.569 7.170 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -23.158 3.991 7.353 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -24.577 3.699 8.339 1.00 0.00 H new ATOM 776 N GLN B 52 -23.531 3.179 4.088 1.00 0.00 N ATOM 777 CA GLN B 52 -22.665 3.102 2.920 1.00 0.00 C ATOM 778 C GLN B 52 -21.875 1.787 2.934 1.00 0.00 C ATOM 779 O GLN B 52 -22.005 0.981 3.856 1.00 0.00 O ATOM 780 CB GLN B 52 -21.720 4.313 2.911 1.00 0.00 C ATOM 781 CG GLN B 52 -22.492 5.635 2.807 1.00 0.00 C ATOM 782 CD GLN B 52 -21.546 6.828 2.713 1.00 0.00 C ATOM 783 OE1 GLN B 52 -21.463 7.480 1.675 1.00 0.00 O ATOM 784 NE2 GLN B 52 -20.830 7.122 3.801 1.00 0.00 N ATOM 0 H GLN B 52 -23.138 3.747 4.839 1.00 0.00 H new ATOM 0 HA GLN B 52 -23.268 3.120 2.012 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -21.120 4.313 3.821 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -21.028 4.229 2.073 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -23.139 5.612 1.930 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -23.139 5.750 3.677 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -20.927 6.556 4.644 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -20.186 7.913 3.789 1.00 0.00 H new ATOM 793 N THR B 53 -21.048 1.580 1.904 1.00 0.00 N ATOM 794 CA THR B 53 -20.189 0.412 1.767 1.00 0.00 C ATOM 795 C THR B 53 -19.048 0.424 2.791 1.00 0.00 C ATOM 796 O THR B 53 -18.384 -0.630 2.902 1.00 0.00 O ATOM 797 CB THR B 53 -19.648 0.346 0.330 1.00 0.00 C ATOM 798 OG1 THR B 53 -19.033 1.572 -0.015 1.00 0.00 O ATOM 799 CG2 THR B 53 -20.770 0.052 -0.671 1.00 0.00 C ATOM 800 OXT THR B 53 -18.860 1.458 3.471 1.00 0.00 O ATOM 0 H THR B 53 -20.959 2.237 1.129 1.00 0.00 H new ATOM 0 HA THR B 53 -20.779 -0.482 1.969 1.00 0.00 H new ATOM 0 HB THR B 53 -18.917 -0.462 0.288 1.00 0.00 H new ATOM 0 HG1 THR B 53 -18.690 1.519 -0.932 1.00 0.00 H new ATOM 0 HG21 THR B 53 -20.357 0.011 -1.679 1.00 0.00 H new ATOM 0 HG22 THR B 53 -21.232 -0.905 -0.429 1.00 0.00 H new ATOM 0 HG23 THR B 53 -21.521 0.841 -0.618 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.342 -0.487 -2.620 1.00 0.00 ZN