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 62:sc= 0.254 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc=0.000691 USER MOD Single : B 20 GLN : amide:sc=-0.000276 K(o=-0.00028,f=-0.6) USER MOD Single : B 25 GLN : amide:sc= -1.63 K(o=-1.6,f=-5.2!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 145:sc= 1.03 (180deg=0.357) USER MOD Single : B 32 LYS NZ :NH3+ -161:sc= 0.525 (180deg=0.344) USER MOD Single : B 37 LYS NZ :NH3+ -158:sc= 1.28 (180deg=0.563) USER MOD Single : B 41 LYS NZ :NH3+ 172:sc= 1.21 (180deg=0.929) USER MOD Single : B 42 LYS NZ :NH3+ -135:sc= -0.0178 (180deg=-0.151) USER MOD Single : B 52 GLN : amide:sc= 0.581 K(o=0.58,f=-3.1!) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0.0283 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -0.420 -7.769 0.860 1.00 0.00 O ATOM 2 C5' DA A 1 0.878 -7.742 1.412 1.00 0.00 C ATOM 3 C4' DA A 1 0.830 -7.378 2.903 1.00 0.00 C ATOM 4 O4' DA A 1 2.119 -7.562 3.468 1.00 0.00 O ATOM 5 C3' DA A 1 0.415 -5.930 3.184 1.00 0.00 C ATOM 6 O3' DA A 1 -0.121 -5.816 4.497 1.00 0.00 O ATOM 7 C2' DA A 1 1.784 -5.293 3.123 1.00 0.00 C ATOM 8 C1' DA A 1 2.588 -6.308 3.924 1.00 0.00 C ATOM 9 N9 DA A 1 4.046 -6.200 3.723 1.00 0.00 N ATOM 10 C8 DA A 1 4.728 -5.863 2.584 1.00 0.00 C ATOM 11 N7 DA A 1 6.026 -5.879 2.708 1.00 0.00 N ATOM 12 C5 DA A 1 6.221 -6.250 4.033 1.00 0.00 C ATOM 13 C6 DA A 1 7.377 -6.430 4.822 1.00 0.00 C ATOM 14 N6 DA A 1 8.616 -6.256 4.346 1.00 0.00 N ATOM 15 N1 DA A 1 7.224 -6.788 6.112 1.00 0.00 N ATOM 16 C2 DA A 1 5.994 -6.951 6.595 1.00 0.00 C ATOM 17 N3 DA A 1 4.831 -6.809 5.962 1.00 0.00 N ATOM 18 C4 DA A 1 5.017 -6.447 4.663 1.00 0.00 C ATOM 0 H5' DA A 1 1.491 -7.017 0.876 1.00 0.00 H new ATOM 0 H5'' DA A 1 1.352 -8.716 1.286 1.00 0.00 H new ATOM 0 H4' DA A 1 0.076 -8.031 3.343 1.00 0.00 H new ATOM 0 H3' DA A 1 -0.342 -5.510 2.522 1.00 0.00 H new ATOM 0 H2' DA A 1 2.148 -5.187 2.101 1.00 0.00 H new ATOM 0 H2'' DA A 1 1.801 -4.300 3.573 1.00 0.00 H new ATOM 0 HO5' DA A 1 -0.821 -6.877 0.923 1.00 0.00 H new ATOM 0 H1' DA A 1 2.449 -6.149 4.993 1.00 0.00 H new ATOM 0 H8 DA A 1 4.232 -5.605 1.660 1.00 0.00 H new ATOM 0 H61 DA A 1 9.421 -6.398 4.956 1.00 0.00 H new ATOM 0 H62 DA A 1 8.755 -5.981 3.374 1.00 0.00 H new ATOM 0 H2 DA A 1 5.931 -7.235 7.635 1.00 0.00 H new ATOM 31 P DC A 2 -1.568 -5.158 4.785 1.00 0.00 P ATOM 32 OP1 DC A 2 -1.914 -5.378 6.207 1.00 0.00 O ATOM 33 OP2 DC A 2 -2.498 -5.635 3.741 1.00 0.00 O ATOM 34 O5' DC A 2 -1.325 -3.575 4.562 1.00 0.00 O ATOM 35 C5' DC A 2 -1.048 -2.672 5.623 1.00 0.00 C ATOM 36 C4' DC A 2 0.207 -3.032 6.432 1.00 0.00 C ATOM 37 O4' DC A 2 1.327 -3.241 5.600 1.00 0.00 O ATOM 38 C3' DC A 2 0.655 -1.904 7.369 1.00 0.00 C ATOM 39 O3' DC A 2 0.118 -2.057 8.671 1.00 0.00 O ATOM 40 C2' DC A 2 2.183 -2.037 7.355 1.00 0.00 C ATOM 41 C1' DC A 2 2.445 -3.240 6.460 1.00 0.00 C ATOM 42 N1 DC A 2 3.758 -3.123 5.773 1.00 0.00 N ATOM 43 C2 DC A 2 4.905 -3.541 6.453 1.00 0.00 C ATOM 44 O2 DC A 2 4.840 -3.951 7.610 1.00 0.00 O ATOM 45 N3 DC A 2 6.103 -3.490 5.801 1.00 0.00 N ATOM 46 C4 DC A 2 6.188 -3.046 4.539 1.00 0.00 C ATOM 47 N4 DC A 2 7.384 -3.034 3.941 1.00 0.00 N ATOM 48 C5 DC A 2 5.026 -2.584 3.835 1.00 0.00 C ATOM 49 C6 DC A 2 3.849 -2.616 4.502 1.00 0.00 C ATOM 0 H5' DC A 2 -1.906 -2.642 6.295 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.929 -1.669 5.212 1.00 0.00 H new ATOM 0 H4' DC A 2 -0.086 -3.926 6.982 1.00 0.00 H new ATOM 0 H3' DC A 2 0.311 -0.919 7.053 1.00 0.00 H new ATOM 0 H2' DC A 2 2.657 -1.138 6.962 1.00 0.00 H new ATOM 0 H2'' DC A 2 2.578 -2.194 8.359 1.00 0.00 H new ATOM 0 H1' DC A 2 2.534 -4.189 6.989 1.00 0.00 H new ATOM 0 H41 DC A 2 7.471 -2.700 2.981 1.00 0.00 H new ATOM 0 H42 DC A 2 8.209 -3.359 4.445 1.00 0.00 H new ATOM 0 H5 DC A 2 5.088 -2.227 2.818 1.00 0.00 H new ATOM 0 H6 DC A 2 2.960 -2.233 4.022 1.00 0.00 H new ATOM 61 P DG A 3 0.048 -0.815 9.704 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.273 -1.344 11.046 1.00 0.00 O ATOM 63 OP2 DG A 3 -0.822 0.226 9.105 1.00 0.00 O ATOM 64 O5' DG A 3 1.572 -0.272 9.726 1.00 0.00 O ATOM 65 C5' DG A 3 1.863 1.100 9.898 1.00 0.00 C ATOM 66 C4' DG A 3 3.344 1.409 9.614 1.00 0.00 C ATOM 67 O4' DG A 3 3.707 0.819 8.371 1.00 0.00 O ATOM 68 C3' DG A 3 3.475 2.931 9.466 1.00 0.00 C ATOM 69 O3' DG A 3 4.659 3.538 9.987 1.00 0.00 O ATOM 70 C2' DG A 3 3.242 3.106 7.974 1.00 0.00 C ATOM 71 C1' DG A 3 3.794 1.809 7.362 1.00 0.00 C ATOM 72 N9 DG A 3 3.091 1.382 6.126 1.00 0.00 N ATOM 73 C8 DG A 3 1.744 1.298 5.891 1.00 0.00 C ATOM 74 N7 DG A 3 1.428 1.033 4.656 1.00 0.00 N ATOM 75 C5 DG A 3 2.656 0.886 4.024 1.00 0.00 C ATOM 76 C6 DG A 3 2.956 0.648 2.648 1.00 0.00 C ATOM 77 O6 DG A 3 2.175 0.608 1.699 1.00 0.00 O ATOM 78 N1 DG A 3 4.320 0.465 2.425 1.00 0.00 N ATOM 79 C2 DG A 3 5.283 0.507 3.419 1.00 0.00 C ATOM 80 N2 DG A 3 6.535 0.197 3.067 1.00 0.00 N ATOM 81 N3 DG A 3 5.008 0.814 4.698 1.00 0.00 N ATOM 82 C4 DG A 3 3.679 1.004 4.936 1.00 0.00 C ATOM 0 H5' DG A 3 1.618 1.399 10.917 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.234 1.691 9.233 1.00 0.00 H new ATOM 0 H4' DG A 3 3.977 1.026 10.414 1.00 0.00 H new ATOM 0 H3' DG A 3 2.766 3.474 10.091 1.00 0.00 H new ATOM 0 H2' DG A 3 2.184 3.237 7.747 1.00 0.00 H new ATOM 0 H2'' DG A 3 3.762 3.983 7.588 1.00 0.00 H new ATOM 0 H1' DG A 3 4.823 1.973 7.042 1.00 0.00 H new ATOM 0 H8 DG A 3 1.005 1.440 6.666 1.00 0.00 H new ATOM 0 H1 DG A 3 4.628 0.289 1.469 1.00 0.00 H new ATOM 0 H21 DG A 3 7.280 0.214 3.764 1.00 0.00 H new ATOM 0 H22 DG A 3 6.745 -0.056 2.102 1.00 0.00 H new ATOM 94 P DC A 4 6.152 3.464 9.345 1.00 0.00 P ATOM 95 OP1 DC A 4 6.408 2.088 8.871 1.00 0.00 O ATOM 96 OP2 DC A 4 7.078 4.056 10.334 1.00 0.00 O ATOM 97 O5' DC A 4 6.128 4.469 8.063 1.00 0.00 O ATOM 98 C5' DC A 4 7.285 4.616 7.258 1.00 0.00 C ATOM 99 C4' DC A 4 7.292 5.813 6.287 1.00 0.00 C ATOM 100 O4' DC A 4 6.457 5.638 5.156 1.00 0.00 O ATOM 101 C3' DC A 4 6.917 7.166 6.913 1.00 0.00 C ATOM 102 O3' DC A 4 8.024 8.049 7.026 1.00 0.00 O ATOM 103 C2' DC A 4 5.932 7.737 5.893 1.00 0.00 C ATOM 104 C1' DC A 4 6.277 6.937 4.633 1.00 0.00 C ATOM 105 N1 DC A 4 5.308 7.010 3.494 1.00 0.00 N ATOM 106 C2 DC A 4 5.825 6.901 2.196 1.00 0.00 C ATOM 107 O2 DC A 4 7.034 6.798 1.995 1.00 0.00 O ATOM 108 N3 DC A 4 4.959 6.897 1.143 1.00 0.00 N ATOM 109 C4 DC A 4 3.638 6.991 1.324 1.00 0.00 C ATOM 110 N4 DC A 4 2.841 6.893 0.255 1.00 0.00 N ATOM 111 C5 DC A 4 3.084 7.177 2.635 1.00 0.00 C ATOM 112 C6 DC A 4 3.952 7.176 3.677 1.00 0.00 C ATOM 0 H5' DC A 4 7.416 3.703 6.677 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.150 4.703 7.915 1.00 0.00 H new ATOM 0 H4' DC A 4 8.340 5.838 5.988 1.00 0.00 H new ATOM 0 H3' DC A 4 6.531 7.049 7.926 1.00 0.00 H new ATOM 0 H2' DC A 4 4.896 7.589 6.199 1.00 0.00 H new ATOM 0 H2'' DC A 4 6.071 8.808 5.747 1.00 0.00 H new ATOM 0 H1' DC A 4 7.151 7.346 4.126 1.00 0.00 H new ATOM 0 H41 DC A 4 1.829 6.961 0.365 1.00 0.00 H new ATOM 0 H42 DC A 4 3.245 6.750 -0.671 1.00 0.00 H new ATOM 0 H5 DC A 4 2.023 7.312 2.785 1.00 0.00 H new ATOM 0 H6 DC A 4 3.570 7.309 4.678 1.00 0.00 H new ATOM 124 P DC A 5 9.206 7.817 8.103 1.00 0.00 P ATOM 125 OP1 DC A 5 10.027 9.047 8.153 1.00 0.00 O ATOM 126 OP2 DC A 5 9.860 6.521 7.814 1.00 0.00 O ATOM 127 O5' DC A 5 8.384 7.693 9.488 1.00 0.00 O ATOM 128 C5' DC A 5 8.122 8.827 10.294 1.00 0.00 C ATOM 129 C4' DC A 5 7.014 8.553 11.319 1.00 0.00 C ATOM 130 O4' DC A 5 5.749 8.456 10.696 1.00 0.00 O ATOM 131 C3' DC A 5 7.179 7.264 12.139 1.00 0.00 C ATOM 132 O3' DC A 5 7.634 7.559 13.443 1.00 0.00 O ATOM 133 C2' DC A 5 5.763 6.685 12.181 1.00 0.00 C ATOM 134 C1' DC A 5 4.902 7.812 11.626 1.00 0.00 C ATOM 135 N1 DC A 5 3.662 7.296 10.985 1.00 0.00 N ATOM 136 C2 DC A 5 2.453 7.361 11.683 1.00 0.00 C ATOM 137 O2 DC A 5 2.405 7.786 12.836 1.00 0.00 O ATOM 138 N3 DC A 5 1.316 6.942 11.053 1.00 0.00 N ATOM 139 C4 DC A 5 1.352 6.464 9.800 1.00 0.00 C ATOM 140 N4 DC A 5 0.206 6.079 9.226 1.00 0.00 N ATOM 141 C5 DC A 5 2.588 6.354 9.080 1.00 0.00 C ATOM 142 C6 DC A 5 3.708 6.766 9.720 1.00 0.00 C ATOM 0 H5' DC A 5 7.832 9.665 9.660 1.00 0.00 H new ATOM 0 H5'' DC A 5 9.033 9.122 10.814 1.00 0.00 H new ATOM 0 H4' DC A 5 7.091 9.406 11.993 1.00 0.00 H new ATOM 0 H3' DC A 5 7.909 6.577 11.711 1.00 0.00 H new ATOM 0 H2' DC A 5 5.681 5.782 11.576 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.469 6.417 13.196 1.00 0.00 H new ATOM 0 HO3' DC A 5 7.732 6.727 13.951 1.00 0.00 H new ATOM 0 H1' DC A 5 4.546 8.489 12.403 1.00 0.00 H new ATOM 0 H41 DC A 5 0.210 5.713 8.274 1.00 0.00 H new ATOM 0 H42 DC A 5 -0.672 6.152 9.740 1.00 0.00 H new ATOM 0 H5 DC A 5 2.624 5.961 8.075 1.00 0.00 H new ATOM 0 H6 DC A 5 4.662 6.675 9.222 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 20.650 2.489 -6.403 1.00 0.00 N ATOM 157 CA GLY B 14 19.975 1.831 -7.534 1.00 0.00 C ATOM 158 C GLY B 14 19.674 0.365 -7.232 1.00 0.00 C ATOM 159 O GLY B 14 20.252 -0.528 -7.849 1.00 0.00 O ATOM 0 HA2 GLY B 14 19.046 2.355 -7.759 1.00 0.00 H new ATOM 0 HA3 GLY B 14 20.603 1.899 -8.423 1.00 0.00 H new ATOM 165 N GLU B 15 18.782 0.126 -6.263 1.00 0.00 N ATOM 166 CA GLU B 15 18.482 -1.197 -5.736 1.00 0.00 C ATOM 167 C GLU B 15 17.519 -1.938 -6.666 1.00 0.00 C ATOM 168 O GLU B 15 16.332 -2.062 -6.367 1.00 0.00 O ATOM 169 CB GLU B 15 17.916 -1.088 -4.311 1.00 0.00 C ATOM 170 CG GLU B 15 18.830 -0.302 -3.358 1.00 0.00 C ATOM 171 CD GLU B 15 18.488 1.186 -3.340 1.00 0.00 C ATOM 172 OE1 GLU B 15 17.568 1.541 -2.572 1.00 0.00 O ATOM 173 OE2 GLU B 15 19.130 1.936 -4.110 1.00 0.00 O ATOM 0 H GLU B 15 18.241 0.868 -5.819 1.00 0.00 H new ATOM 0 HA GLU B 15 19.405 -1.775 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU B 15 16.940 -0.604 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU B 15 17.759 -2.090 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU B 15 18.739 -0.708 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU B 15 19.869 -0.432 -3.661 1.00 0.00 H new ATOM 180 N ARG B 16 18.046 -2.456 -7.781 1.00 0.00 N ATOM 181 CA ARG B 16 17.295 -3.253 -8.746 1.00 0.00 C ATOM 182 C ARG B 16 16.638 -4.469 -8.083 1.00 0.00 C ATOM 183 O ARG B 16 15.544 -4.864 -8.482 1.00 0.00 O ATOM 184 CB ARG B 16 18.212 -3.698 -9.893 1.00 0.00 C ATOM 185 CG ARG B 16 18.720 -2.502 -10.712 1.00 0.00 C ATOM 186 CD ARG B 16 19.592 -2.958 -11.887 1.00 0.00 C ATOM 187 NE ARG B 16 18.817 -3.724 -12.874 1.00 0.00 N ATOM 188 CZ ARG B 16 19.329 -4.293 -13.978 1.00 0.00 C ATOM 189 NH1 ARG B 16 20.635 -4.188 -14.261 1.00 0.00 N ATOM 190 NH2 ARG B 16 18.523 -4.973 -14.806 1.00 0.00 N ATOM 0 H ARG B 16 19.025 -2.328 -8.039 1.00 0.00 H new ATOM 0 HA ARG B 16 16.499 -2.627 -9.149 1.00 0.00 H new ATOM 0 HB2 ARG B 16 19.061 -4.248 -9.487 1.00 0.00 H new ATOM 0 HB3 ARG B 16 17.671 -4.383 -10.546 1.00 0.00 H new ATOM 0 HG2 ARG B 16 17.872 -1.930 -11.087 1.00 0.00 H new ATOM 0 HG3 ARG B 16 19.294 -1.836 -10.068 1.00 0.00 H new ATOM 0 HD2 ARG B 16 20.037 -2.088 -12.370 1.00 0.00 H new ATOM 0 HD3 ARG B 16 20.413 -3.570 -11.515 1.00 0.00 H new ATOM 0 HE ARG B 16 17.816 -3.831 -12.708 1.00 0.00 H new ATOM 0 HH11 ARG B 16 21.253 -3.671 -13.635 1.00 0.00 H new ATOM 0 HH12 ARG B 16 21.011 -4.625 -15.103 1.00 0.00 H new ATOM 0 HH21 ARG B 16 17.528 -5.056 -14.596 1.00 0.00 H new ATOM 0 HH22 ARG B 16 18.905 -5.408 -15.646 1.00 0.00 H new ATOM 204 N ARG B 17 17.296 -5.046 -7.066 1.00 0.00 N ATOM 205 CA ARG B 17 16.760 -6.143 -6.270 1.00 0.00 C ATOM 206 C ARG B 17 15.403 -5.769 -5.667 1.00 0.00 C ATOM 207 O ARG B 17 14.461 -6.554 -5.756 1.00 0.00 O ATOM 208 CB ARG B 17 17.754 -6.542 -5.171 1.00 0.00 C ATOM 209 CG ARG B 17 19.064 -7.084 -5.762 1.00 0.00 C ATOM 210 CD ARG B 17 19.966 -7.685 -4.677 1.00 0.00 C ATOM 211 NE ARG B 17 20.390 -6.674 -3.699 1.00 0.00 N ATOM 212 CZ ARG B 17 21.140 -6.923 -2.612 1.00 0.00 C ATOM 213 NH1 ARG B 17 21.570 -8.164 -2.346 1.00 0.00 N ATOM 214 NH2 ARG B 17 21.462 -5.918 -1.787 1.00 0.00 N ATOM 0 H ARG B 17 18.229 -4.754 -6.775 1.00 0.00 H new ATOM 0 HA ARG B 17 16.610 -7.000 -6.926 1.00 0.00 H new ATOM 0 HB2 ARG B 17 17.968 -5.678 -4.542 1.00 0.00 H new ATOM 0 HB3 ARG B 17 17.303 -7.299 -4.529 1.00 0.00 H new ATOM 0 HG2 ARG B 17 18.839 -7.843 -6.511 1.00 0.00 H new ATOM 0 HG3 ARG B 17 19.594 -6.280 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG B 17 19.434 -8.486 -4.164 1.00 0.00 H new ATOM 0 HD3 ARG B 17 20.845 -8.133 -5.141 1.00 0.00 H new ATOM 0 HE ARG B 17 20.093 -5.711 -3.857 1.00 0.00 H new ATOM 0 HH11 ARG B 17 21.329 -8.932 -2.972 1.00 0.00 H new ATOM 0 HH12 ARG B 17 22.139 -8.340 -1.518 1.00 0.00 H new ATOM 0 HH21 ARG B 17 21.138 -4.971 -1.986 1.00 0.00 H new ATOM 0 HH22 ARG B 17 22.031 -6.099 -0.960 1.00 0.00 H new ATOM 228 N ARG B 18 15.291 -4.564 -5.089 1.00 0.00 N ATOM 229 CA ARG B 18 14.019 -4.023 -4.631 1.00 0.00 C ATOM 230 C ARG B 18 13.290 -3.415 -5.832 1.00 0.00 C ATOM 231 O ARG B 18 13.162 -2.198 -5.951 1.00 0.00 O ATOM 232 CB ARG B 18 14.244 -3.018 -3.490 1.00 0.00 C ATOM 233 CG ARG B 18 12.912 -2.682 -2.799 1.00 0.00 C ATOM 234 CD ARG B 18 13.084 -1.743 -1.601 1.00 0.00 C ATOM 235 NE ARG B 18 13.408 -0.373 -2.024 1.00 0.00 N ATOM 236 CZ ARG B 18 14.630 0.182 -2.093 1.00 0.00 C ATOM 237 NH1 ARG B 18 15.737 -0.505 -1.785 1.00 0.00 N ATOM 238 NH2 ARG B 18 14.748 1.455 -2.484 1.00 0.00 N ATOM 0 H ARG B 18 16.084 -3.943 -4.929 1.00 0.00 H new ATOM 0 HA ARG B 18 13.389 -4.810 -4.218 1.00 0.00 H new ATOM 0 HB2 ARG B 18 14.943 -3.433 -2.764 1.00 0.00 H new ATOM 0 HB3 ARG B 18 14.697 -2.108 -3.883 1.00 0.00 H new ATOM 0 HG2 ARG B 18 12.239 -2.221 -3.522 1.00 0.00 H new ATOM 0 HG3 ARG B 18 12.438 -3.605 -2.466 1.00 0.00 H new ATOM 0 HD2 ARG B 18 12.167 -1.734 -1.011 1.00 0.00 H new ATOM 0 HD3 ARG B 18 13.876 -2.121 -0.954 1.00 0.00 H new ATOM 0 HE ARG B 18 12.622 0.219 -2.294 1.00 0.00 H new ATOM 0 HH11 ARG B 18 15.667 -1.478 -1.488 1.00 0.00 H new ATOM 0 HH12 ARG B 18 16.650 -0.055 -1.848 1.00 0.00 H new ATOM 0 HH21 ARG B 18 13.916 1.993 -2.726 1.00 0.00 H new ATOM 0 HH22 ARG B 18 15.670 1.888 -2.540 1.00 0.00 H new ATOM 252 N SER B 19 12.817 -4.287 -6.728 1.00 0.00 N ATOM 253 CA SER B 19 12.084 -3.923 -7.929 1.00 0.00 C ATOM 254 C SER B 19 10.757 -3.235 -7.595 1.00 0.00 C ATOM 255 O SER B 19 10.306 -2.375 -8.348 1.00 0.00 O ATOM 256 CB SER B 19 11.858 -5.189 -8.760 1.00 0.00 C ATOM 257 OG SER B 19 11.189 -6.170 -7.994 1.00 0.00 O ATOM 0 H SER B 19 12.941 -5.294 -6.628 1.00 0.00 H new ATOM 0 HA SER B 19 12.668 -3.204 -8.504 1.00 0.00 H new ATOM 0 HB2 SER B 19 11.272 -4.949 -9.647 1.00 0.00 H new ATOM 0 HB3 SER B 19 12.815 -5.580 -9.106 1.00 0.00 H new ATOM 0 HG SER B 19 11.050 -6.972 -8.539 1.00 0.00 H new ATOM 263 N GLN B 20 10.137 -3.618 -6.471 1.00 0.00 N ATOM 264 CA GLN B 20 8.883 -3.064 -5.990 1.00 0.00 C ATOM 265 C GLN B 20 8.870 -3.045 -4.459 1.00 0.00 C ATOM 266 O GLN B 20 9.849 -3.414 -3.812 1.00 0.00 O ATOM 267 CB GLN B 20 7.709 -3.881 -6.555 1.00 0.00 C ATOM 268 CG GLN B 20 7.798 -5.367 -6.176 1.00 0.00 C ATOM 269 CD GLN B 20 6.461 -6.073 -6.368 1.00 0.00 C ATOM 270 OE1 GLN B 20 5.840 -6.503 -5.397 1.00 0.00 O ATOM 271 NE2 GLN B 20 6.007 -6.189 -7.617 1.00 0.00 N ATOM 0 H GLN B 20 10.512 -4.343 -5.860 1.00 0.00 H new ATOM 0 HA GLN B 20 8.779 -2.035 -6.335 1.00 0.00 H new ATOM 0 HB2 GLN B 20 6.771 -3.469 -6.184 1.00 0.00 H new ATOM 0 HB3 GLN B 20 7.692 -3.785 -7.641 1.00 0.00 H new ATOM 0 HG2 GLN B 20 8.559 -5.854 -6.786 1.00 0.00 H new ATOM 0 HG3 GLN B 20 8.114 -5.460 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN B 20 6.553 -5.818 -8.395 1.00 0.00 H new ATOM 0 HE22 GLN B 20 5.114 -6.648 -7.794 1.00 0.00 H new ATOM 280 N LEU B 21 7.725 -2.649 -3.893 1.00 0.00 N ATOM 281 CA LEU B 21 7.418 -2.705 -2.478 1.00 0.00 C ATOM 282 C LEU B 21 8.384 -1.872 -1.623 1.00 0.00 C ATOM 283 O LEU B 21 8.907 -2.343 -0.614 1.00 0.00 O ATOM 284 CB LEU B 21 7.271 -4.180 -2.054 1.00 0.00 C ATOM 285 CG LEU B 21 5.990 -4.373 -1.239 1.00 0.00 C ATOM 286 CD1 LEU B 21 5.685 -5.864 -1.042 1.00 0.00 C ATOM 287 CD2 LEU B 21 6.105 -3.668 0.117 1.00 0.00 C ATOM 0 H LEU B 21 6.957 -2.264 -4.444 1.00 0.00 H new ATOM 0 HA LEU B 21 6.459 -2.222 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.248 -4.819 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.135 -4.484 -1.463 1.00 0.00 H new ATOM 0 HG LEU B 21 5.165 -3.927 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU B 21 4.770 -5.974 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU B 21 5.557 -6.341 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU B 21 6.511 -6.338 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU B 21 5.185 -3.816 0.683 1.00 0.00 H new ATOM 0 HD22 LEU B 21 6.945 -4.085 0.674 1.00 0.00 H new ATOM 0 HD23 LEU B 21 6.267 -2.602 -0.040 1.00 0.00 H new ATOM 299 N ASP B 22 8.572 -0.605 -2.012 1.00 0.00 N ATOM 300 CA ASP B 22 9.273 0.401 -1.223 1.00 0.00 C ATOM 301 C ASP B 22 8.334 0.964 -0.146 1.00 0.00 C ATOM 302 O ASP B 22 7.256 0.425 0.110 1.00 0.00 O ATOM 303 CB ASP B 22 9.782 1.523 -2.152 1.00 0.00 C ATOM 304 CG ASP B 22 11.148 2.066 -1.735 1.00 0.00 C ATOM 305 OD1 ASP B 22 11.297 2.422 -0.546 1.00 0.00 O ATOM 306 OD2 ASP B 22 12.040 2.082 -2.611 1.00 0.00 O ATOM 0 H ASP B 22 8.231 -0.248 -2.905 1.00 0.00 H new ATOM 0 HA ASP B 22 10.130 -0.053 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP B 22 9.843 1.143 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP B 22 9.059 2.339 -2.158 1.00 0.00 H new ATOM 311 N ARG B 23 8.745 2.078 0.465 1.00 0.00 N ATOM 312 CA ARG B 23 7.936 2.865 1.381 1.00 0.00 C ATOM 313 C ARG B 23 7.108 3.885 0.616 1.00 0.00 C ATOM 314 O ARG B 23 6.005 4.190 1.037 1.00 0.00 O ATOM 315 CB ARG B 23 8.818 3.501 2.456 1.00 0.00 C ATOM 316 CG ARG B 23 9.528 2.383 3.235 1.00 0.00 C ATOM 317 CD ARG B 23 9.204 2.404 4.731 1.00 0.00 C ATOM 318 NE ARG B 23 9.827 3.537 5.431 1.00 0.00 N ATOM 319 CZ ARG B 23 11.109 3.615 5.822 1.00 0.00 C ATOM 320 NH1 ARG B 23 11.990 2.662 5.485 1.00 0.00 N ATOM 321 NH2 ARG B 23 11.513 4.656 6.562 1.00 0.00 N ATOM 0 H ARG B 23 9.679 2.464 0.327 1.00 0.00 H new ATOM 0 HA ARG B 23 7.231 2.212 1.896 1.00 0.00 H new ATOM 0 HB2 ARG B 23 9.550 4.167 1.999 1.00 0.00 H new ATOM 0 HB3 ARG B 23 8.214 4.107 3.131 1.00 0.00 H new ATOM 0 HG2 ARG B 23 9.240 1.417 2.819 1.00 0.00 H new ATOM 0 HG3 ARG B 23 10.605 2.480 3.100 1.00 0.00 H new ATOM 0 HD2 ARG B 23 8.123 2.450 4.864 1.00 0.00 H new ATOM 0 HD3 ARG B 23 9.541 1.472 5.185 1.00 0.00 H new ATOM 0 HE ARG B 23 9.230 4.338 5.639 1.00 0.00 H new ATOM 0 HH11 ARG B 23 11.689 1.865 4.924 1.00 0.00 H new ATOM 0 HH12 ARG B 23 12.961 2.734 5.789 1.00 0.00 H new ATOM 0 HH21 ARG B 23 10.848 5.383 6.825 1.00 0.00 H new ATOM 0 HH22 ARG B 23 12.486 4.721 6.862 1.00 0.00 H new ATOM 335 N ASP B 24 7.607 4.377 -0.516 1.00 0.00 N ATOM 336 CA ASP B 24 6.883 5.264 -1.417 1.00 0.00 C ATOM 337 C ASP B 24 5.535 4.670 -1.856 1.00 0.00 C ATOM 338 O ASP B 24 4.484 5.290 -1.698 1.00 0.00 O ATOM 339 CB ASP B 24 7.764 5.506 -2.649 1.00 0.00 C ATOM 340 CG ASP B 24 9.108 6.127 -2.279 1.00 0.00 C ATOM 341 OD1 ASP B 24 9.991 5.350 -1.854 1.00 0.00 O ATOM 342 OD2 ASP B 24 9.227 7.363 -2.424 1.00 0.00 O ATOM 0 H ASP B 24 8.551 4.163 -0.838 1.00 0.00 H new ATOM 0 HA ASP B 24 6.667 6.195 -0.894 1.00 0.00 H new ATOM 0 HB2 ASP B 24 7.932 4.561 -3.166 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.241 6.162 -3.345 1.00 0.00 H new ATOM 347 N GLN B 25 5.601 3.471 -2.443 1.00 0.00 N ATOM 348 CA GLN B 25 4.520 2.785 -3.145 1.00 0.00 C ATOM 349 C GLN B 25 3.671 1.891 -2.231 1.00 0.00 C ATOM 350 O GLN B 25 4.103 1.521 -1.139 1.00 0.00 O ATOM 351 CB GLN B 25 5.137 1.973 -4.296 1.00 0.00 C ATOM 352 CG GLN B 25 6.095 0.887 -3.781 1.00 0.00 C ATOM 353 CD GLN B 25 6.877 0.204 -4.898 1.00 0.00 C ATOM 354 OE1 GLN B 25 8.104 0.209 -4.887 1.00 0.00 O ATOM 355 NE2 GLN B 25 6.180 -0.424 -5.842 1.00 0.00 N ATOM 0 H GLN B 25 6.462 2.924 -2.439 1.00 0.00 H new ATOM 0 HA GLN B 25 3.830 3.536 -3.529 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.342 1.509 -4.880 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.675 2.644 -4.966 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.795 1.333 -3.075 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.524 0.137 -3.233 1.00 0.00 H new ATOM 0 HE21 GLN B 25 5.160 -0.407 -5.819 1.00 0.00 H new ATOM 0 HE22 GLN B 25 6.665 -0.922 -6.588 1.00 0.00 H new ATOM 364 N CYS B 26 2.465 1.533 -2.704 1.00 0.00 N ATOM 365 CA CYS B 26 1.542 0.640 -2.010 1.00 0.00 C ATOM 366 C CYS B 26 2.167 -0.742 -1.829 1.00 0.00 C ATOM 367 O CYS B 26 2.686 -1.327 -2.775 1.00 0.00 O ATOM 368 CB CYS B 26 0.197 0.543 -2.756 1.00 0.00 C ATOM 369 SG CYS B 26 -0.982 -0.637 -2.050 1.00 0.00 S ATOM 0 H CYS B 26 2.104 1.867 -3.598 1.00 0.00 H new ATOM 0 HA CYS B 26 1.344 1.058 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.265 1.530 -2.773 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.392 0.265 -3.792 1.00 0.00 H new ATOM 374 N ALA B 27 2.116 -1.259 -0.599 1.00 0.00 N ATOM 375 CA ALA B 27 2.644 -2.568 -0.246 1.00 0.00 C ATOM 376 C ALA B 27 1.849 -3.708 -0.881 1.00 0.00 C ATOM 377 O ALA B 27 2.407 -4.743 -1.241 1.00 0.00 O ATOM 378 CB ALA B 27 2.605 -2.724 1.276 1.00 0.00 C ATOM 0 H ALA B 27 1.698 -0.766 0.190 1.00 0.00 H new ATOM 0 HA ALA B 27 3.665 -2.626 -0.624 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.999 -3.702 1.552 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.212 -1.945 1.737 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.576 -2.636 1.625 1.00 0.00 H new ATOM 384 N TYR B 28 0.533 -3.516 -0.979 1.00 0.00 N ATOM 385 CA TYR B 28 -0.439 -4.531 -1.334 1.00 0.00 C ATOM 386 C TYR B 28 -0.417 -4.819 -2.828 1.00 0.00 C ATOM 387 O TYR B 28 -0.264 -5.965 -3.248 1.00 0.00 O ATOM 388 CB TYR B 28 -1.821 -4.020 -0.911 1.00 0.00 C ATOM 389 CG TYR B 28 -2.871 -5.097 -0.729 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.996 -5.736 0.514 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.726 -5.457 -1.786 1.00 0.00 C ATOM 392 CE1 TYR B 28 -3.973 -6.727 0.708 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.720 -6.431 -1.589 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.844 -7.066 -0.341 1.00 0.00 C ATOM 395 OH TYR B 28 -5.812 -8.008 -0.151 1.00 0.00 O ATOM 0 H TYR B 28 0.105 -2.607 -0.804 1.00 0.00 H new ATOM 0 HA TYR B 28 -0.200 -5.464 -0.824 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.718 -3.471 0.025 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -2.175 -3.311 -1.659 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -2.338 -5.465 1.326 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -3.619 -4.984 -2.751 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -4.054 -7.227 1.662 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -5.388 -6.692 -2.396 1.00 0.00 H new ATOM 0 HH TYR B 28 -6.326 -8.120 -0.978 1.00 0.00 H new ATOM 405 N CYS B 29 -0.590 -3.751 -3.608 1.00 0.00 N ATOM 406 CA CYS B 29 -0.831 -3.780 -5.038 1.00 0.00 C ATOM 407 C CYS B 29 0.089 -2.843 -5.816 1.00 0.00 C ATOM 408 O CYS B 29 0.174 -3.004 -7.033 1.00 0.00 O ATOM 409 CB CYS B 29 -2.294 -3.431 -5.315 1.00 0.00 C ATOM 410 SG CYS B 29 -2.685 -1.664 -5.376 1.00 0.00 S ATOM 0 H CYS B 29 -0.563 -2.802 -3.236 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.611 -4.790 -5.384 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -2.581 -3.880 -6.266 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.910 -3.894 -4.544 1.00 0.00 H new ATOM 415 N LYS B 30 0.768 -1.888 -5.149 1.00 0.00 N ATOM 416 CA LYS B 30 1.743 -1.003 -5.779 1.00 0.00 C ATOM 417 C LYS B 30 1.153 -0.357 -7.040 1.00 0.00 C ATOM 418 O LYS B 30 1.675 -0.511 -8.143 1.00 0.00 O ATOM 419 CB LYS B 30 3.119 -1.685 -5.951 1.00 0.00 C ATOM 420 CG LYS B 30 3.185 -3.214 -6.087 1.00 0.00 C ATOM 421 CD LYS B 30 3.059 -3.945 -4.740 1.00 0.00 C ATOM 422 CE LYS B 30 2.694 -5.416 -4.953 1.00 0.00 C ATOM 423 NZ LYS B 30 2.753 -6.172 -3.690 1.00 0.00 N ATOM 0 H LYS B 30 0.647 -1.716 -4.151 1.00 0.00 H new ATOM 0 HA LYS B 30 1.959 -0.169 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS B 30 3.590 -1.256 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS B 30 3.734 -1.405 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.388 -3.549 -6.751 1.00 0.00 H new ATOM 0 HG3 LYS B 30 4.129 -3.491 -6.557 1.00 0.00 H new ATOM 0 HD2 LYS B 30 3.999 -3.874 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.297 -3.461 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS B 30 1.691 -5.486 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.376 -5.861 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.008 -6.898 -3.685 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.683 -6.630 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.610 -5.523 -2.890 1.00 0.00 H new ATOM 437 N GLU B 31 0.045 0.370 -6.840 1.00 0.00 N ATOM 438 CA GLU B 31 -0.698 1.093 -7.864 1.00 0.00 C ATOM 439 C GLU B 31 -0.700 2.583 -7.510 1.00 0.00 C ATOM 440 O GLU B 31 -0.543 2.949 -6.345 1.00 0.00 O ATOM 441 CB GLU B 31 -2.125 0.525 -7.947 1.00 0.00 C ATOM 442 CG GLU B 31 -2.911 0.997 -9.178 1.00 0.00 C ATOM 443 CD GLU B 31 -4.321 0.415 -9.209 1.00 0.00 C ATOM 444 OE1 GLU B 31 -5.217 1.041 -8.600 1.00 0.00 O ATOM 445 OE2 GLU B 31 -4.483 -0.651 -9.840 1.00 0.00 O ATOM 0 H GLU B 31 -0.371 0.470 -5.914 1.00 0.00 H new ATOM 0 HA GLU B 31 -0.232 0.974 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -2.072 -0.564 -7.957 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -2.672 0.809 -7.048 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.967 2.086 -9.178 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -2.378 0.706 -10.083 1.00 0.00 H new ATOM 452 N LYS B 32 -0.906 3.420 -8.535 1.00 0.00 N ATOM 453 CA LYS B 32 -1.066 4.856 -8.522 1.00 0.00 C ATOM 454 C LYS B 32 -0.324 5.577 -7.393 1.00 0.00 C ATOM 455 O LYS B 32 0.905 5.553 -7.372 1.00 0.00 O ATOM 456 CB LYS B 32 -2.561 5.156 -8.679 1.00 0.00 C ATOM 457 CG LYS B 32 -3.525 4.485 -7.685 1.00 0.00 C ATOM 458 CD LYS B 32 -4.928 4.422 -8.305 1.00 0.00 C ATOM 459 CE LYS B 32 -5.934 3.766 -7.354 1.00 0.00 C ATOM 460 NZ LYS B 32 -7.073 3.186 -8.083 1.00 0.00 N ATOM 0 H LYS B 32 -0.969 3.057 -9.486 1.00 0.00 H new ATOM 0 HA LYS B 32 -0.550 5.301 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.698 6.235 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.859 4.865 -9.686 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -3.176 3.481 -7.443 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.552 5.047 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.263 5.429 -8.552 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -4.889 3.861 -9.239 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.435 2.986 -6.778 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -6.297 4.506 -6.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -7.868 3.044 -7.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -7.363 3.832 -8.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -6.794 2.271 -8.492 1.00 0.00 H new ATOM 474 N GLY B 33 -1.053 6.248 -6.496 1.00 0.00 N ATOM 475 CA GLY B 33 -0.485 7.121 -5.482 1.00 0.00 C ATOM 476 C GLY B 33 -1.145 6.946 -4.118 1.00 0.00 C ATOM 477 O GLY B 33 -0.920 7.777 -3.240 1.00 0.00 O ATOM 0 H GLY B 33 -2.071 6.194 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY B 33 0.583 6.921 -5.393 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -0.589 8.158 -5.801 1.00 0.00 H new ATOM 481 N HIS B 34 -1.930 5.876 -3.919 1.00 0.00 N ATOM 482 CA HIS B 34 -2.409 5.524 -2.585 1.00 0.00 C ATOM 483 C HIS B 34 -1.332 4.684 -1.885 1.00 0.00 C ATOM 484 O HIS B 34 -0.207 4.579 -2.376 1.00 0.00 O ATOM 485 CB HIS B 34 -3.788 4.846 -2.656 1.00 0.00 C ATOM 486 CG HIS B 34 -3.779 3.460 -3.243 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.402 3.110 -4.416 1.00 0.00 N ATOM 488 CD2 HIS B 34 -3.226 2.289 -2.809 1.00 0.00 C ATOM 489 CE1 HIS B 34 -4.116 1.812 -4.620 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.454 1.198 -3.628 1.00 0.00 N ATOM 0 H HIS B 34 -2.241 5.249 -4.661 1.00 0.00 H new ATOM 0 HA HIS B 34 -2.569 6.418 -1.982 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -4.206 4.797 -1.650 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -4.455 5.472 -3.248 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.968 3.713 -5.013 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.654 2.220 -1.895 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.401 1.297 -5.525 1.00 0.00 H new ATOM 498 N TRP B 35 -1.666 4.078 -0.741 1.00 0.00 N ATOM 499 CA TRP B 35 -0.745 3.240 0.013 1.00 0.00 C ATOM 500 C TRP B 35 -1.475 2.039 0.605 1.00 0.00 C ATOM 501 O TRP B 35 -2.700 1.986 0.544 1.00 0.00 O ATOM 502 CB TRP B 35 -0.124 4.115 1.105 1.00 0.00 C ATOM 503 CG TRP B 35 1.313 3.897 1.423 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.285 3.543 0.555 1.00 0.00 C ATOM 505 CD2 TRP B 35 1.968 4.066 2.706 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.480 3.424 1.224 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.349 3.763 2.552 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.536 4.490 3.976 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.255 3.841 3.616 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.422 4.531 5.061 1.00 0.00 C ATOM 511 CH2 TRP B 35 3.782 4.225 4.877 1.00 0.00 C ATOM 0 H TRP B 35 -2.589 4.159 -0.315 1.00 0.00 H new ATOM 0 HA TRP B 35 0.037 2.841 -0.633 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -0.250 5.158 0.813 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.697 3.969 2.020 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.145 3.378 -0.503 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.353 3.123 0.791 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.507 4.788 4.117 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.299 3.609 3.467 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.059 4.799 6.042 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.465 4.286 5.712 1.00 0.00 H new ATOM 522 N ALA B 36 -0.748 1.085 1.204 1.00 0.00 N ATOM 523 CA ALA B 36 -1.386 -0.063 1.849 1.00 0.00 C ATOM 524 C ALA B 36 -2.297 0.352 3.014 1.00 0.00 C ATOM 525 O ALA B 36 -3.198 -0.401 3.382 1.00 0.00 O ATOM 526 CB ALA B 36 -0.346 -1.109 2.250 1.00 0.00 C ATOM 0 H ALA B 36 0.271 1.088 1.253 1.00 0.00 H new ATOM 0 HA ALA B 36 -2.046 -0.530 1.118 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.844 -1.953 2.727 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.183 -1.455 1.362 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.366 -0.666 2.947 1.00 0.00 H new ATOM 532 N LYS B 37 -2.108 1.567 3.552 1.00 0.00 N ATOM 533 CA LYS B 37 -3.009 2.192 4.510 1.00 0.00 C ATOM 534 C LYS B 37 -4.389 2.473 3.904 1.00 0.00 C ATOM 535 O LYS B 37 -5.387 2.460 4.622 1.00 0.00 O ATOM 536 CB LYS B 37 -2.427 3.531 4.965 1.00 0.00 C ATOM 537 CG LYS B 37 -1.089 3.397 5.689 1.00 0.00 C ATOM 538 CD LYS B 37 -1.120 2.648 7.025 1.00 0.00 C ATOM 539 CE LYS B 37 -2.060 3.311 8.030 1.00 0.00 C ATOM 540 NZ LYS B 37 -1.807 2.819 9.397 1.00 0.00 N ATOM 0 H LYS B 37 -1.303 2.149 3.322 1.00 0.00 H new ATOM 0 HA LYS B 37 -3.118 1.498 5.343 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -2.298 4.177 4.096 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -3.141 4.023 5.625 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -0.389 2.888 5.026 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -0.692 4.397 5.865 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -1.437 1.619 6.857 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -0.114 2.608 7.442 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -1.927 4.392 7.999 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -3.095 3.109 7.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -2.652 2.974 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -1.589 1.803 9.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -1.002 3.333 9.807 1.00 0.00 H new ATOM 554 N ASP B 38 -4.419 2.783 2.603 1.00 0.00 N ATOM 555 CA ASP B 38 -5.572 3.290 1.863 1.00 0.00 C ATOM 556 C ASP B 38 -5.911 2.413 0.645 1.00 0.00 C ATOM 557 O ASP B 38 -6.592 2.872 -0.270 1.00 0.00 O ATOM 558 CB ASP B 38 -5.220 4.723 1.422 1.00 0.00 C ATOM 559 CG ASP B 38 -6.389 5.486 0.800 1.00 0.00 C ATOM 560 OD1 ASP B 38 -7.450 5.540 1.459 1.00 0.00 O ATOM 561 OD2 ASP B 38 -6.195 6.011 -0.318 1.00 0.00 O ATOM 0 H ASP B 38 -3.595 2.680 2.010 1.00 0.00 H new ATOM 0 HA ASP B 38 -6.458 3.275 2.498 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -4.855 5.279 2.286 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -4.403 4.680 0.702 1.00 0.00 H new ATOM 566 N CYS B 39 -5.436 1.161 0.591 1.00 0.00 N ATOM 567 CA CYS B 39 -5.545 0.376 -0.630 1.00 0.00 C ATOM 568 C CYS B 39 -7.000 -0.044 -0.883 1.00 0.00 C ATOM 569 O CYS B 39 -7.629 -0.611 0.009 1.00 0.00 O ATOM 570 CB CYS B 39 -4.610 -0.831 -0.582 1.00 0.00 C ATOM 571 SG CYS B 39 -4.544 -1.792 -2.119 1.00 0.00 S ATOM 0 H CYS B 39 -4.981 0.683 1.369 1.00 0.00 H new ATOM 0 HA CYS B 39 -5.235 0.999 -1.469 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.605 -0.487 -0.340 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.926 -1.487 0.229 1.00 0.00 H new ATOM 576 N PRO B 40 -7.546 0.229 -2.081 1.00 0.00 N ATOM 577 CA PRO B 40 -8.902 -0.115 -2.472 1.00 0.00 C ATOM 578 C PRO B 40 -9.037 -1.598 -2.844 1.00 0.00 C ATOM 579 O PRO B 40 -10.145 -2.132 -2.817 1.00 0.00 O ATOM 580 CB PRO B 40 -9.196 0.801 -3.652 1.00 0.00 C ATOM 581 CG PRO B 40 -7.848 0.891 -4.359 1.00 0.00 C ATOM 582 CD PRO B 40 -6.878 0.903 -3.182 1.00 0.00 C ATOM 0 HA PRO B 40 -9.613 0.024 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -9.966 0.387 -4.303 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.547 1.780 -3.326 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.676 0.043 -5.021 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.764 1.792 -4.967 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -5.950 0.394 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.615 1.925 -2.908 1.00 0.00 H new ATOM 590 N LYS B 41 -7.925 -2.264 -3.183 1.00 0.00 N ATOM 591 CA LYS B 41 -7.892 -3.692 -3.469 1.00 0.00 C ATOM 592 C LYS B 41 -8.082 -4.453 -2.160 1.00 0.00 C ATOM 593 O LYS B 41 -8.888 -5.377 -2.073 1.00 0.00 O ATOM 594 CB LYS B 41 -6.555 -4.093 -4.111 1.00 0.00 C ATOM 595 CG LYS B 41 -6.063 -3.180 -5.239 1.00 0.00 C ATOM 596 CD LYS B 41 -6.998 -3.164 -6.451 1.00 0.00 C ATOM 597 CE LYS B 41 -6.458 -2.235 -7.545 1.00 0.00 C ATOM 598 NZ LYS B 41 -5.116 -2.636 -8.005 1.00 0.00 N ATOM 0 H LYS B 41 -7.014 -1.813 -3.266 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.690 -3.935 -4.171 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.793 -4.122 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.650 -5.106 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -5.957 -2.165 -4.856 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -5.073 -3.506 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -7.105 -4.174 -6.846 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -7.991 -2.834 -6.145 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -7.145 -2.235 -8.391 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -6.420 -1.214 -7.166 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.848 -2.067 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -4.427 -2.482 -7.241 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -5.125 -3.643 -8.265 1.00 0.00 H new ATOM 612 N LYS B 42 -7.328 -4.029 -1.142 1.00 0.00 N ATOM 613 CA LYS B 42 -7.432 -4.522 0.216 1.00 0.00 C ATOM 614 C LYS B 42 -8.829 -4.187 0.755 1.00 0.00 C ATOM 615 O LYS B 42 -9.288 -3.062 0.560 1.00 0.00 O ATOM 616 CB LYS B 42 -6.331 -3.866 1.055 1.00 0.00 C ATOM 617 CG LYS B 42 -6.248 -4.422 2.479 1.00 0.00 C ATOM 618 CD LYS B 42 -5.173 -3.650 3.252 1.00 0.00 C ATOM 619 CE LYS B 42 -5.049 -4.101 4.713 1.00 0.00 C ATOM 620 NZ LYS B 42 -6.314 -3.980 5.456 1.00 0.00 N ATOM 0 H LYS B 42 -6.611 -3.312 -1.253 1.00 0.00 H new ATOM 0 HA LYS B 42 -7.301 -5.603 0.258 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -5.371 -4.009 0.559 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.509 -2.792 1.101 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -7.213 -4.326 2.978 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -6.005 -5.484 2.455 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -4.212 -3.779 2.754 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -5.406 -2.586 3.224 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -4.714 -5.138 4.741 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -4.283 -3.505 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -6.131 -3.550 6.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -6.975 -3.381 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -6.731 -4.924 5.587 1.00 0.00 H new ATOM 634 N PRO B 43 -9.521 -5.130 1.417 1.00 0.00 N ATOM 635 CA PRO B 43 -10.880 -4.931 1.899 1.00 0.00 C ATOM 636 C PRO B 43 -10.887 -4.077 3.173 1.00 0.00 C ATOM 637 O PRO B 43 -11.170 -4.570 4.263 1.00 0.00 O ATOM 638 CB PRO B 43 -11.430 -6.344 2.119 1.00 0.00 C ATOM 639 CG PRO B 43 -10.184 -7.134 2.516 1.00 0.00 C ATOM 640 CD PRO B 43 -9.101 -6.506 1.639 1.00 0.00 C ATOM 0 HA PRO B 43 -11.504 -4.381 1.195 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -12.189 -6.365 2.901 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -11.892 -6.744 1.216 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -9.958 -7.029 3.577 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -10.299 -8.200 2.318 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -8.129 -6.544 2.130 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -9.002 -7.042 0.695 1.00 0.00 H new ATOM 648 N ARG B 44 -10.607 -2.776 3.027 1.00 0.00 N ATOM 649 CA ARG B 44 -10.738 -1.790 4.090 1.00 0.00 C ATOM 650 C ARG B 44 -12.179 -1.272 4.112 1.00 0.00 C ATOM 651 O ARG B 44 -12.425 -0.081 3.932 1.00 0.00 O ATOM 652 CB ARG B 44 -9.717 -0.660 3.883 1.00 0.00 C ATOM 653 CG ARG B 44 -8.287 -1.155 4.123 1.00 0.00 C ATOM 654 CD ARG B 44 -7.297 0.010 4.023 1.00 0.00 C ATOM 655 NE ARG B 44 -5.948 -0.373 4.465 1.00 0.00 N ATOM 656 CZ ARG B 44 -5.542 -0.483 5.742 1.00 0.00 C ATOM 657 NH1 ARG B 44 -6.393 -0.277 6.757 1.00 0.00 N ATOM 658 NH2 ARG B 44 -4.269 -0.808 6.000 1.00 0.00 N ATOM 0 H ARG B 44 -10.277 -2.379 2.147 1.00 0.00 H new ATOM 0 HA ARG B 44 -10.525 -2.241 5.059 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -9.804 -0.269 2.869 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -9.939 0.163 4.562 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -8.216 -1.618 5.107 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -8.032 -1.921 3.391 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -7.254 0.362 2.992 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -7.654 0.842 4.629 1.00 0.00 H new ATOM 0 HE ARG B 44 -5.260 -0.573 3.739 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -7.365 -0.033 6.566 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -6.069 -0.364 7.720 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -3.618 -0.969 5.231 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -3.950 -0.894 6.965 1.00 0.00 H new ATOM 672 N GLY B 45 -13.134 -2.182 4.338 1.00 0.00 N ATOM 673 CA GLY B 45 -14.547 -1.854 4.404 1.00 0.00 C ATOM 674 C GLY B 45 -14.851 -1.140 5.725 1.00 0.00 C ATOM 675 O GLY B 45 -14.499 -1.675 6.776 1.00 0.00 O ATOM 0 H GLY B 45 -12.937 -3.173 4.480 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -14.822 -1.217 3.564 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -15.145 -2.762 4.324 1.00 0.00 H new ATOM 679 N PRO B 46 -15.491 0.044 5.708 1.00 0.00 N ATOM 680 CA PRO B 46 -15.782 0.822 6.906 1.00 0.00 C ATOM 681 C PRO B 46 -17.014 0.250 7.620 1.00 0.00 C ATOM 682 O PRO B 46 -18.062 0.889 7.690 1.00 0.00 O ATOM 683 CB PRO B 46 -15.995 2.250 6.394 1.00 0.00 C ATOM 684 CG PRO B 46 -16.629 2.023 5.023 1.00 0.00 C ATOM 685 CD PRO B 46 -15.905 0.773 4.519 1.00 0.00 C ATOM 0 HA PRO B 46 -14.984 0.794 7.648 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -16.648 2.823 7.052 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -15.056 2.798 6.320 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -17.705 1.866 5.096 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -16.475 2.875 4.360 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -16.562 0.165 3.897 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -15.044 1.041 3.906 1.00 0.00 H new ATOM 693 N ARG B 47 -16.879 -0.974 8.141 1.00 0.00 N ATOM 694 CA ARG B 47 -17.953 -1.731 8.771 1.00 0.00 C ATOM 695 C ARG B 47 -17.407 -2.883 9.625 1.00 0.00 C ATOM 696 O ARG B 47 -18.151 -3.811 9.938 1.00 0.00 O ATOM 697 CB ARG B 47 -18.902 -2.265 7.683 1.00 0.00 C ATOM 698 CG ARG B 47 -18.148 -3.078 6.618 1.00 0.00 C ATOM 699 CD ARG B 47 -19.110 -3.906 5.760 1.00 0.00 C ATOM 700 NE ARG B 47 -19.700 -5.021 6.517 1.00 0.00 N ATOM 701 CZ ARG B 47 -19.097 -6.196 6.770 1.00 0.00 C ATOM 702 NH1 ARG B 47 -17.836 -6.424 6.380 1.00 0.00 N ATOM 703 NH2 ARG B 47 -19.765 -7.163 7.412 1.00 0.00 N ATOM 0 H ARG B 47 -15.991 -1.476 8.133 1.00 0.00 H new ATOM 0 HA ARG B 47 -18.500 -1.067 9.440 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -19.668 -2.890 8.143 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -19.416 -1.430 7.207 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -17.578 -2.403 5.979 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -17.431 -3.739 7.104 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -19.905 -3.263 5.383 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -18.578 -4.297 4.893 1.00 0.00 H new ATOM 0 HE ARG B 47 -20.644 -4.892 6.880 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -17.317 -5.700 5.883 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -17.394 -7.321 6.581 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -20.729 -7.007 7.708 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -19.310 -8.055 7.605 1.00 0.00 H new ATOM 717 N GLY B 48 -16.114 -2.854 9.981 1.00 0.00 N ATOM 718 CA GLY B 48 -15.447 -3.988 10.601 1.00 0.00 C ATOM 719 C GLY B 48 -15.340 -5.124 9.581 1.00 0.00 C ATOM 720 O GLY B 48 -16.179 -6.022 9.591 1.00 0.00 O ATOM 0 H GLY B 48 -15.511 -2.043 9.844 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -14.455 -3.698 10.946 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -16.005 -4.320 11.477 1.00 0.00 H new ATOM 724 N PRO B 49 -14.334 -5.098 8.690 1.00 0.00 N ATOM 725 CA PRO B 49 -14.185 -6.041 7.598 1.00 0.00 C ATOM 726 C PRO B 49 -13.362 -7.221 8.114 1.00 0.00 C ATOM 727 O PRO B 49 -12.335 -7.583 7.541 1.00 0.00 O ATOM 728 CB PRO B 49 -13.453 -5.234 6.526 1.00 0.00 C ATOM 729 CG PRO B 49 -12.481 -4.389 7.355 1.00 0.00 C ATOM 730 CD PRO B 49 -13.223 -4.163 8.678 1.00 0.00 C ATOM 0 HA PRO B 49 -15.114 -6.453 7.203 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -12.930 -5.878 5.819 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -14.137 -4.614 5.946 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -11.535 -4.907 7.511 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -12.250 -3.446 6.860 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -12.562 -4.334 9.528 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -13.579 -3.136 8.753 1.00 0.00 H new ATOM 738 N ARG B 50 -13.798 -7.780 9.246 1.00 0.00 N ATOM 739 CA ARG B 50 -13.036 -8.761 9.992 1.00 0.00 C ATOM 740 C ARG B 50 -13.072 -10.113 9.262 1.00 0.00 C ATOM 741 O ARG B 50 -14.005 -10.358 8.497 1.00 0.00 O ATOM 742 CB ARG B 50 -13.575 -8.853 11.433 1.00 0.00 C ATOM 743 CG ARG B 50 -15.093 -9.074 11.509 1.00 0.00 C ATOM 744 CD ARG B 50 -15.533 -9.538 12.901 1.00 0.00 C ATOM 745 NE ARG B 50 -15.272 -8.529 13.934 1.00 0.00 N ATOM 746 CZ ARG B 50 -15.635 -8.659 15.222 1.00 0.00 C ATOM 747 NH1 ARG B 50 -16.281 -9.756 15.645 1.00 0.00 N ATOM 748 NH2 ARG B 50 -15.348 -7.680 16.091 1.00 0.00 N ATOM 0 H ARG B 50 -14.700 -7.556 9.667 1.00 0.00 H new ATOM 0 HA ARG B 50 -11.991 -8.456 10.056 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -13.071 -9.670 11.949 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -13.323 -7.936 11.966 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -15.608 -8.147 11.255 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -15.389 -9.817 10.768 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -16.598 -9.770 12.884 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -15.010 -10.460 13.156 1.00 0.00 H new ATOM 0 HE ARG B 50 -14.785 -7.676 13.658 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -16.502 -10.503 14.987 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -16.551 -9.843 16.625 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -14.858 -6.844 15.774 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -15.620 -7.771 17.070 1.00 0.00 H new ATOM 762 N PRO B 51 -12.085 -11.002 9.479 1.00 0.00 N ATOM 763 CA PRO B 51 -12.062 -12.341 8.897 1.00 0.00 C ATOM 764 C PRO B 51 -13.104 -13.227 9.594 1.00 0.00 C ATOM 765 O PRO B 51 -12.769 -14.099 10.394 1.00 0.00 O ATOM 766 CB PRO B 51 -10.623 -12.832 9.087 1.00 0.00 C ATOM 767 CG PRO B 51 -10.183 -12.121 10.366 1.00 0.00 C ATOM 768 CD PRO B 51 -10.875 -10.763 10.250 1.00 0.00 C ATOM 0 HA PRO B 51 -12.327 -12.362 7.840 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -10.577 -13.916 9.192 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -9.991 -12.566 8.240 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -10.498 -12.661 11.259 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -9.099 -12.020 10.421 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -11.111 -10.359 11.234 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -10.231 -10.037 9.753 1.00 0.00 H new ATOM 776 N GLN B 52 -14.378 -12.963 9.285 1.00 0.00 N ATOM 777 CA GLN B 52 -15.566 -13.495 9.940 1.00 0.00 C ATOM 778 C GLN B 52 -16.799 -12.924 9.233 1.00 0.00 C ATOM 779 O GLN B 52 -17.727 -13.666 8.917 1.00 0.00 O ATOM 780 CB GLN B 52 -15.553 -13.114 11.430 1.00 0.00 C ATOM 781 CG GLN B 52 -16.827 -13.520 12.177 1.00 0.00 C ATOM 782 CD GLN B 52 -16.719 -13.159 13.657 1.00 0.00 C ATOM 783 OE1 GLN B 52 -17.183 -12.103 14.081 1.00 0.00 O ATOM 784 NE2 GLN B 52 -16.093 -14.031 14.449 1.00 0.00 N ATOM 0 H GLN B 52 -14.616 -12.331 8.521 1.00 0.00 H new ATOM 0 HA GLN B 52 -15.587 -14.583 9.876 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -14.695 -13.585 11.910 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -15.417 -12.036 11.520 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -17.689 -13.019 11.737 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -16.992 -14.592 12.069 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -15.721 -14.897 14.060 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -15.986 -13.831 15.444 1.00 0.00 H new ATOM 793 N THR B 53 -16.804 -11.605 8.992 1.00 0.00 N ATOM 794 CA THR B 53 -17.873 -10.885 8.316 1.00 0.00 C ATOM 795 C THR B 53 -17.338 -9.541 7.816 1.00 0.00 C ATOM 796 O THR B 53 -16.583 -8.894 8.573 1.00 0.00 O ATOM 797 CB THR B 53 -19.098 -10.721 9.236 1.00 0.00 C ATOM 798 OG1 THR B 53 -20.109 -9.995 8.565 1.00 0.00 O ATOM 799 CG2 THR B 53 -18.780 -10.016 10.561 1.00 0.00 C ATOM 800 OXT THR B 53 -17.706 -9.167 6.682 1.00 0.00 O ATOM 0 H THR B 53 -16.035 -10.997 9.275 1.00 0.00 H new ATOM 0 HA THR B 53 -18.212 -11.460 7.454 1.00 0.00 H new ATOM 0 HB THR B 53 -19.433 -11.730 9.478 1.00 0.00 H new ATOM 0 HG1 THR B 53 -20.886 -9.895 9.154 1.00 0.00 H new ATOM 0 HG21 THR B 53 -19.689 -9.935 11.158 1.00 0.00 H new ATOM 0 HG22 THR B 53 -18.035 -10.592 11.110 1.00 0.00 H new ATOM 0 HG23 THR B 53 -18.390 -9.019 10.358 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.909 -0.717 -3.320 1.00 0.00 ZN