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 91:sc= 0.653 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 55:sc= 0.0236 USER MOD Single : B 20 GLN : amide:sc= 0.234 X(o=0.23,f=-0.058) USER MOD Single : B 25 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.57) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 172:sc= 0.679 (180deg=0.533) USER MOD Single : B 32 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00889) USER MOD Single : B 37 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0411) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ 158:sc= 0.514 (180deg=0.217) USER MOD Single : B 52 GLN : amide:sc= -0.177 K(o=-0.18,f=-2) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.253 -6.994 0.806 1.00 0.00 O ATOM 2 C5' DA A 1 1.320 -7.283 1.684 1.00 0.00 C ATOM 3 C4' DA A 1 0.972 -6.928 3.139 1.00 0.00 C ATOM 4 O4' DA A 1 2.145 -7.057 3.931 1.00 0.00 O ATOM 5 C3' DA A 1 0.467 -5.499 3.339 1.00 0.00 C ATOM 6 O3' DA A 1 -0.207 -5.394 4.585 1.00 0.00 O ATOM 7 C2' DA A 1 1.810 -4.811 3.392 1.00 0.00 C ATOM 8 C1' DA A 1 2.581 -5.760 4.303 1.00 0.00 C ATOM 9 N9 DA A 1 4.051 -5.638 4.177 1.00 0.00 N ATOM 10 C8 DA A 1 4.805 -5.328 3.072 1.00 0.00 C ATOM 11 N7 DA A 1 6.092 -5.335 3.277 1.00 0.00 N ATOM 12 C5 DA A 1 6.205 -5.664 4.622 1.00 0.00 C ATOM 13 C6 DA A 1 7.312 -5.818 5.484 1.00 0.00 C ATOM 14 N6 DA A 1 8.577 -5.661 5.076 1.00 0.00 N ATOM 15 N1 DA A 1 7.081 -6.132 6.774 1.00 0.00 N ATOM 16 C2 DA A 1 5.824 -6.276 7.188 1.00 0.00 C ATOM 17 N3 DA A 1 4.702 -6.155 6.482 1.00 0.00 N ATOM 18 C4 DA A 1 4.965 -5.841 5.184 1.00 0.00 C ATOM 0 H5' DA A 1 2.206 -6.727 1.376 1.00 0.00 H new ATOM 0 H5'' DA A 1 1.569 -8.342 1.618 1.00 0.00 H new ATOM 0 H4' DA A 1 0.171 -7.609 3.426 1.00 0.00 H new ATOM 0 H3' DA A 1 -0.237 -5.116 2.601 1.00 0.00 H new ATOM 0 H2' DA A 1 2.267 -4.721 2.407 1.00 0.00 H new ATOM 0 H2'' DA A 1 1.743 -3.805 3.805 1.00 0.00 H new ATOM 0 HO5' DA A 1 0.345 -6.078 0.469 1.00 0.00 H new ATOM 0 H1' DA A 1 2.382 -5.528 5.349 1.00 0.00 H new ATOM 0 H8 DA A 1 4.367 -5.097 2.112 1.00 0.00 H new ATOM 0 H61 DA A 1 9.345 -5.783 5.736 1.00 0.00 H new ATOM 0 H62 DA A 1 8.773 -5.420 4.105 1.00 0.00 H new ATOM 0 H2 DA A 1 5.698 -6.523 8.232 1.00 0.00 H new ATOM 31 P DC A 2 -1.385 -4.319 4.840 1.00 0.00 P ATOM 32 OP1 DC A 2 -1.863 -4.475 6.233 1.00 0.00 O ATOM 33 OP2 DC A 2 -2.362 -4.447 3.738 1.00 0.00 O ATOM 34 O5' DC A 2 -0.690 -2.866 4.714 1.00 0.00 O ATOM 35 C5' DC A 2 -0.419 -2.026 5.827 1.00 0.00 C ATOM 36 C4' DC A 2 0.795 -2.500 6.632 1.00 0.00 C ATOM 37 O4' DC A 2 1.894 -2.676 5.766 1.00 0.00 O ATOM 38 C3' DC A 2 1.270 -1.463 7.663 1.00 0.00 C ATOM 39 O3' DC A 2 0.981 -1.890 8.982 1.00 0.00 O ATOM 40 C2' DC A 2 2.782 -1.406 7.422 1.00 0.00 C ATOM 41 C1' DC A 2 3.053 -2.622 6.558 1.00 0.00 C ATOM 42 N1 DC A 2 4.311 -2.465 5.780 1.00 0.00 N ATOM 43 C2 DC A 2 5.520 -2.754 6.414 1.00 0.00 C ATOM 44 O2 DC A 2 5.550 -3.083 7.598 1.00 0.00 O ATOM 45 N3 DC A 2 6.672 -2.676 5.685 1.00 0.00 N ATOM 46 C4 DC A 2 6.652 -2.328 4.391 1.00 0.00 C ATOM 47 N4 DC A 2 7.804 -2.301 3.713 1.00 0.00 N ATOM 48 C5 DC A 2 5.423 -1.982 3.734 1.00 0.00 C ATOM 49 C6 DC A 2 4.291 -2.046 4.474 1.00 0.00 C ATOM 0 H5' DC A 2 -1.293 -1.995 6.477 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.245 -1.008 5.477 1.00 0.00 H new ATOM 0 H4' DC A 2 0.480 -3.416 7.132 1.00 0.00 H new ATOM 0 H3' DC A 2 0.781 -0.495 7.556 1.00 0.00 H new ATOM 0 H2' DC A 2 3.073 -0.484 6.919 1.00 0.00 H new ATOM 0 H2'' DC A 2 3.339 -1.448 8.358 1.00 0.00 H new ATOM 0 H1' DC A 2 3.221 -3.548 7.109 1.00 0.00 H new ATOM 0 H41 DC A 2 7.810 -2.039 2.727 1.00 0.00 H new ATOM 0 H42 DC A 2 8.677 -2.543 4.181 1.00 0.00 H new ATOM 0 H5 DC A 2 5.403 -1.684 2.696 1.00 0.00 H new ATOM 0 H6 DC A 2 3.351 -1.761 4.026 1.00 0.00 H new ATOM 61 P DG A 3 0.880 -0.842 10.210 1.00 0.00 P ATOM 62 OP1 DG A 3 0.840 -1.616 11.470 1.00 0.00 O ATOM 63 OP2 DG A 3 -0.210 0.112 9.902 1.00 0.00 O ATOM 64 O5' DG A 3 2.290 -0.052 10.152 1.00 0.00 O ATOM 65 C5' DG A 3 2.338 1.358 10.053 1.00 0.00 C ATOM 66 C4' DG A 3 3.756 1.847 9.726 1.00 0.00 C ATOM 67 O4' DG A 3 4.105 1.345 8.442 1.00 0.00 O ATOM 68 C3' DG A 3 3.731 3.378 9.634 1.00 0.00 C ATOM 69 O3' DG A 3 4.876 4.072 10.123 1.00 0.00 O ATOM 70 C2' DG A 3 3.439 3.608 8.164 1.00 0.00 C ATOM 71 C1' DG A 3 4.084 2.390 7.485 1.00 0.00 C ATOM 72 N9 DG A 3 3.385 1.966 6.243 1.00 0.00 N ATOM 73 C8 DG A 3 2.039 1.888 5.991 1.00 0.00 C ATOM 74 N7 DG A 3 1.736 1.609 4.757 1.00 0.00 N ATOM 75 C5 DG A 3 2.970 1.439 4.142 1.00 0.00 C ATOM 76 C6 DG A 3 3.286 1.161 2.775 1.00 0.00 C ATOM 77 O6 DG A 3 2.518 1.059 1.822 1.00 0.00 O ATOM 78 N1 DG A 3 4.656 1.034 2.563 1.00 0.00 N ATOM 79 C2 DG A 3 5.611 1.150 3.556 1.00 0.00 C ATOM 80 N2 DG A 3 6.883 0.955 3.196 1.00 0.00 N ATOM 81 N3 DG A 3 5.319 1.435 4.836 1.00 0.00 N ATOM 82 C4 DG A 3 3.984 1.587 5.060 1.00 0.00 C ATOM 0 H5' DG A 3 2.005 1.802 10.991 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.648 1.694 9.279 1.00 0.00 H new ATOM 0 H4' DG A 3 4.462 1.515 10.488 1.00 0.00 H new ATOM 0 H3' DG A 3 2.987 3.805 10.306 1.00 0.00 H new ATOM 0 H2' DG A 3 2.368 3.658 7.969 1.00 0.00 H new ATOM 0 H2'' DG A 3 3.871 4.543 7.809 1.00 0.00 H new ATOM 0 H1' DG A 3 5.091 2.654 7.161 1.00 0.00 H new ATOM 0 H8 DG A 3 1.292 2.045 6.755 1.00 0.00 H new ATOM 0 H1 DG A 3 4.976 0.843 1.614 1.00 0.00 H new ATOM 0 H21 DG A 3 7.627 1.029 3.890 1.00 0.00 H new ATOM 0 H22 DG A 3 7.110 0.732 2.227 1.00 0.00 H new ATOM 94 P DC A 4 6.389 3.983 9.533 1.00 0.00 P ATOM 95 OP1 DC A 4 6.689 2.577 9.186 1.00 0.00 O ATOM 96 OP2 DC A 4 7.256 4.680 10.508 1.00 0.00 O ATOM 97 O5' DC A 4 6.416 4.863 8.166 1.00 0.00 O ATOM 98 C5' DC A 4 7.581 4.863 7.356 1.00 0.00 C ATOM 99 C4' DC A 4 7.712 6.036 6.370 1.00 0.00 C ATOM 100 O4' DC A 4 6.859 5.954 5.249 1.00 0.00 O ATOM 101 C3' DC A 4 7.500 7.420 6.996 1.00 0.00 C ATOM 102 O3' DC A 4 8.680 8.205 6.936 1.00 0.00 O ATOM 103 C2' DC A 4 6.445 8.038 6.075 1.00 0.00 C ATOM 104 C1' DC A 4 6.725 7.278 4.778 1.00 0.00 C ATOM 105 N1 DC A 4 5.738 7.398 3.661 1.00 0.00 N ATOM 106 C2 DC A 4 6.217 7.168 2.366 1.00 0.00 C ATOM 107 O2 DC A 4 7.411 6.967 2.152 1.00 0.00 O ATOM 108 N3 DC A 4 5.332 7.168 1.332 1.00 0.00 N ATOM 109 C4 DC A 4 4.030 7.398 1.525 1.00 0.00 C ATOM 110 N4 DC A 4 3.212 7.335 0.469 1.00 0.00 N ATOM 111 C5 DC A 4 3.518 7.695 2.832 1.00 0.00 C ATOM 112 C6 DC A 4 4.405 7.689 3.860 1.00 0.00 C ATOM 0 H5' DC A 4 7.606 3.932 6.789 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.454 4.863 8.009 1.00 0.00 H new ATOM 0 H4' DC A 4 8.749 5.934 6.051 1.00 0.00 H new ATOM 0 H3' DC A 4 7.219 7.365 8.048 1.00 0.00 H new ATOM 0 H2' DC A 4 5.431 7.876 6.440 1.00 0.00 H new ATOM 0 H2'' DC A 4 6.574 9.114 5.961 1.00 0.00 H new ATOM 0 H1' DC A 4 7.595 7.697 4.272 1.00 0.00 H new ATOM 0 H41 DC A 4 2.213 7.506 0.587 1.00 0.00 H new ATOM 0 H42 DC A 4 3.587 7.116 -0.454 1.00 0.00 H new ATOM 0 H5 DC A 4 2.472 7.914 2.991 1.00 0.00 H new ATOM 0 H6 DC A 4 4.058 7.918 4.857 1.00 0.00 H new ATOM 124 P DC A 5 10.040 7.807 7.714 1.00 0.00 P ATOM 125 OP1 DC A 5 10.940 7.122 6.756 1.00 0.00 O ATOM 126 OP2 DC A 5 9.676 7.116 8.969 1.00 0.00 O ATOM 127 O5' DC A 5 10.703 9.225 8.123 1.00 0.00 O ATOM 128 C5' DC A 5 10.794 10.321 7.226 1.00 0.00 C ATOM 129 C4' DC A 5 9.752 11.395 7.575 1.00 0.00 C ATOM 130 O4' DC A 5 8.439 10.891 7.421 1.00 0.00 O ATOM 131 C3' DC A 5 9.875 11.903 9.014 1.00 0.00 C ATOM 132 O3' DC A 5 10.740 13.015 9.104 1.00 0.00 O ATOM 133 C2' DC A 5 8.439 12.292 9.344 1.00 0.00 C ATOM 134 C1' DC A 5 7.586 11.406 8.426 1.00 0.00 C ATOM 135 N1 DC A 5 6.932 10.254 9.119 1.00 0.00 N ATOM 136 C2 DC A 5 5.593 9.961 8.827 1.00 0.00 C ATOM 137 O2 DC A 5 4.944 10.649 8.042 1.00 0.00 O ATOM 138 N3 DC A 5 5.013 8.879 9.425 1.00 0.00 N ATOM 139 C4 DC A 5 5.702 8.099 10.271 1.00 0.00 C ATOM 140 N4 DC A 5 5.095 7.033 10.801 1.00 0.00 N ATOM 141 C5 DC A 5 7.069 8.385 10.597 1.00 0.00 C ATOM 142 C6 DC A 5 7.633 9.460 9.999 1.00 0.00 C ATOM 0 H5' DC A 5 10.639 9.975 6.204 1.00 0.00 H new ATOM 0 H5'' DC A 5 11.795 10.750 7.269 1.00 0.00 H new ATOM 0 H4' DC A 5 9.945 12.218 6.887 1.00 0.00 H new ATOM 0 H3' DC A 5 10.299 11.167 9.697 1.00 0.00 H new ATOM 0 H2' DC A 5 8.210 12.113 10.395 1.00 0.00 H new ATOM 0 H2'' DC A 5 8.260 13.350 9.154 1.00 0.00 H new ATOM 0 HO3' DC A 5 10.793 13.313 10.036 1.00 0.00 H new ATOM 0 H1' DC A 5 6.781 12.028 8.034 1.00 0.00 H new ATOM 0 H41 DC A 5 5.601 6.427 11.447 1.00 0.00 H new ATOM 0 H42 DC A 5 4.126 6.826 10.560 1.00 0.00 H new ATOM 0 H5 DC A 5 7.624 7.769 11.289 1.00 0.00 H new ATOM 0 H6 DC A 5 8.662 9.702 10.218 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 6.535 4.722 -16.120 1.00 0.00 N ATOM 157 CA GLY B 14 7.742 4.074 -16.663 1.00 0.00 C ATOM 158 C GLY B 14 8.513 3.311 -15.588 1.00 0.00 C ATOM 159 O GLY B 14 8.051 3.225 -14.452 1.00 0.00 O ATOM 0 HA2 GLY B 14 7.458 3.388 -17.461 1.00 0.00 H new ATOM 0 HA3 GLY B 14 8.390 4.829 -17.107 1.00 0.00 H new ATOM 165 N GLU B 15 9.682 2.773 -15.963 1.00 0.00 N ATOM 166 CA GLU B 15 10.606 2.050 -15.096 1.00 0.00 C ATOM 167 C GLU B 15 10.005 0.718 -14.627 1.00 0.00 C ATOM 168 O GLU B 15 9.221 0.683 -13.680 1.00 0.00 O ATOM 169 CB GLU B 15 11.067 2.935 -13.926 1.00 0.00 C ATOM 170 CG GLU B 15 12.289 2.323 -13.233 1.00 0.00 C ATOM 171 CD GLU B 15 12.651 3.090 -11.966 1.00 0.00 C ATOM 172 OE1 GLU B 15 13.197 4.205 -12.111 1.00 0.00 O ATOM 173 OE2 GLU B 15 12.369 2.552 -10.872 1.00 0.00 O ATOM 0 H GLU B 15 10.019 2.836 -16.924 1.00 0.00 H new ATOM 0 HA GLU B 15 11.495 1.801 -15.675 1.00 0.00 H new ATOM 0 HB2 GLU B 15 11.312 3.932 -14.292 1.00 0.00 H new ATOM 0 HB3 GLU B 15 10.255 3.049 -13.208 1.00 0.00 H new ATOM 0 HG2 GLU B 15 12.085 1.282 -12.984 1.00 0.00 H new ATOM 0 HG3 GLU B 15 13.137 2.327 -13.917 1.00 0.00 H new ATOM 180 N ARG B 16 10.393 -0.384 -15.282 1.00 0.00 N ATOM 181 CA ARG B 16 9.956 -1.726 -14.918 1.00 0.00 C ATOM 182 C ARG B 16 10.525 -2.119 -13.552 1.00 0.00 C ATOM 183 O ARG B 16 9.765 -2.430 -12.636 1.00 0.00 O ATOM 184 CB ARG B 16 10.381 -2.737 -15.993 1.00 0.00 C ATOM 185 CG ARG B 16 9.647 -2.500 -17.320 1.00 0.00 C ATOM 186 CD ARG B 16 10.082 -3.511 -18.388 1.00 0.00 C ATOM 187 NE ARG B 16 9.715 -4.886 -18.019 1.00 0.00 N ATOM 188 CZ ARG B 16 10.022 -5.982 -18.734 1.00 0.00 C ATOM 189 NH1 ARG B 16 10.706 -5.880 -19.882 1.00 0.00 N ATOM 190 NH2 ARG B 16 9.640 -7.188 -18.294 1.00 0.00 N ATOM 0 H ARG B 16 11.023 -0.363 -16.084 1.00 0.00 H new ATOM 0 HA ARG B 16 8.868 -1.733 -14.852 1.00 0.00 H new ATOM 0 HB2 ARG B 16 11.457 -2.665 -16.155 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.178 -3.749 -15.641 1.00 0.00 H new ATOM 0 HG2 ARG B 16 8.571 -2.576 -17.161 1.00 0.00 H new ATOM 0 HG3 ARG B 16 9.846 -1.488 -17.672 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.620 -3.255 -19.341 1.00 0.00 H new ATOM 0 HD3 ARG B 16 11.161 -3.448 -18.530 1.00 0.00 H new ATOM 0 HE ARG B 16 9.188 -5.018 -17.156 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.999 -4.964 -20.221 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.933 -6.719 -20.416 1.00 0.00 H new ATOM 0 HH21 ARG B 16 9.119 -7.271 -17.421 1.00 0.00 H new ATOM 0 HH22 ARG B 16 9.870 -8.024 -18.832 1.00 0.00 H new ATOM 204 N ARG B 17 11.860 -2.110 -13.430 1.00 0.00 N ATOM 205 CA ARG B 17 12.588 -2.484 -12.224 1.00 0.00 C ATOM 206 C ARG B 17 12.194 -3.907 -11.794 1.00 0.00 C ATOM 207 O ARG B 17 12.366 -4.845 -12.571 1.00 0.00 O ATOM 208 CB ARG B 17 12.385 -1.404 -11.145 1.00 0.00 C ATOM 209 CG ARG B 17 13.425 -1.496 -10.019 1.00 0.00 C ATOM 210 CD ARG B 17 12.878 -0.896 -8.721 1.00 0.00 C ATOM 211 NE ARG B 17 12.383 0.475 -8.907 1.00 0.00 N ATOM 212 CZ ARG B 17 11.616 1.132 -8.023 1.00 0.00 C ATOM 213 NH1 ARG B 17 11.285 0.567 -6.854 1.00 0.00 N ATOM 214 NH2 ARG B 17 11.184 2.362 -8.324 1.00 0.00 N ATOM 0 H ARG B 17 12.475 -1.833 -14.195 1.00 0.00 H new ATOM 0 HA ARG B 17 13.661 -2.523 -12.409 1.00 0.00 H new ATOM 0 HB2 ARG B 17 12.440 -0.418 -11.607 1.00 0.00 H new ATOM 0 HB3 ARG B 17 11.386 -1.502 -10.721 1.00 0.00 H new ATOM 0 HG2 ARG B 17 13.699 -2.538 -9.856 1.00 0.00 H new ATOM 0 HG3 ARG B 17 14.333 -0.970 -10.313 1.00 0.00 H new ATOM 0 HD2 ARG B 17 12.070 -1.524 -8.345 1.00 0.00 H new ATOM 0 HD3 ARG B 17 13.662 -0.898 -7.964 1.00 0.00 H new ATOM 0 HE ARG B 17 12.640 0.960 -9.767 1.00 0.00 H new ATOM 0 HH11 ARG B 17 11.616 -0.371 -6.629 1.00 0.00 H new ATOM 0 HH12 ARG B 17 10.702 1.075 -6.189 1.00 0.00 H new ATOM 0 HH21 ARG B 17 11.438 2.788 -9.215 1.00 0.00 H new ATOM 0 HH22 ARG B 17 10.600 2.874 -7.662 1.00 0.00 H new ATOM 228 N ARG B 18 11.656 -4.067 -10.578 1.00 0.00 N ATOM 229 CA ARG B 18 11.082 -5.298 -10.056 1.00 0.00 C ATOM 230 C ARG B 18 9.823 -4.931 -9.266 1.00 0.00 C ATOM 231 O ARG B 18 9.595 -3.756 -8.973 1.00 0.00 O ATOM 232 CB ARG B 18 12.096 -6.022 -9.156 1.00 0.00 C ATOM 233 CG ARG B 18 13.336 -6.491 -9.930 1.00 0.00 C ATOM 234 CD ARG B 18 14.289 -7.289 -9.032 1.00 0.00 C ATOM 235 NE ARG B 18 13.696 -8.563 -8.603 1.00 0.00 N ATOM 236 CZ ARG B 18 14.271 -9.429 -7.751 1.00 0.00 C ATOM 237 NH1 ARG B 18 15.476 -9.171 -7.223 1.00 0.00 N ATOM 238 NH2 ARG B 18 13.633 -10.561 -7.427 1.00 0.00 N ATOM 0 H ARG B 18 11.611 -3.301 -9.906 1.00 0.00 H new ATOM 0 HA ARG B 18 10.827 -5.974 -10.873 1.00 0.00 H new ATOM 0 HB2 ARG B 18 12.404 -5.355 -8.351 1.00 0.00 H new ATOM 0 HB3 ARG B 18 11.615 -6.882 -8.690 1.00 0.00 H new ATOM 0 HG2 ARG B 18 13.028 -7.108 -10.774 1.00 0.00 H new ATOM 0 HG3 ARG B 18 13.859 -5.627 -10.340 1.00 0.00 H new ATOM 0 HD2 ARG B 18 15.218 -7.483 -9.569 1.00 0.00 H new ATOM 0 HD3 ARG B 18 14.546 -6.694 -8.155 1.00 0.00 H new ATOM 0 HE ARG B 18 12.780 -8.808 -8.980 1.00 0.00 H new ATOM 0 HH11 ARG B 18 15.966 -8.310 -7.467 1.00 0.00 H new ATOM 0 HH12 ARG B 18 15.903 -9.835 -6.577 1.00 0.00 H new ATOM 0 HH21 ARG B 18 12.716 -10.762 -7.826 1.00 0.00 H new ATOM 0 HH22 ARG B 18 14.064 -11.222 -6.781 1.00 0.00 H new ATOM 252 N SER B 19 9.013 -5.937 -8.914 1.00 0.00 N ATOM 253 CA SER B 19 7.764 -5.774 -8.184 1.00 0.00 C ATOM 254 C SER B 19 8.025 -5.560 -6.686 1.00 0.00 C ATOM 255 O SER B 19 7.590 -6.346 -5.846 1.00 0.00 O ATOM 256 CB SER B 19 6.870 -6.988 -8.466 1.00 0.00 C ATOM 257 OG SER B 19 7.538 -8.203 -8.186 1.00 0.00 O ATOM 0 H SER B 19 9.220 -6.910 -9.138 1.00 0.00 H new ATOM 0 HA SER B 19 7.243 -4.879 -8.524 1.00 0.00 H new ATOM 0 HB2 SER B 19 5.965 -6.922 -7.862 1.00 0.00 H new ATOM 0 HB3 SER B 19 6.558 -6.976 -9.510 1.00 0.00 H new ATOM 0 HG SER B 19 7.872 -8.188 -7.265 1.00 0.00 H new ATOM 263 N GLN B 20 8.727 -4.470 -6.358 1.00 0.00 N ATOM 264 CA GLN B 20 9.046 -4.071 -4.996 1.00 0.00 C ATOM 265 C GLN B 20 7.836 -3.400 -4.346 1.00 0.00 C ATOM 266 O GLN B 20 6.830 -3.139 -5.001 1.00 0.00 O ATOM 267 CB GLN B 20 10.244 -3.109 -5.020 1.00 0.00 C ATOM 268 CG GLN B 20 11.523 -3.828 -5.471 1.00 0.00 C ATOM 269 CD GLN B 20 12.699 -2.887 -5.730 1.00 0.00 C ATOM 270 OE1 GLN B 20 13.550 -3.194 -6.562 1.00 0.00 O ATOM 271 NE2 GLN B 20 12.769 -1.744 -5.042 1.00 0.00 N ATOM 0 H GLN B 20 9.097 -3.827 -7.058 1.00 0.00 H new ATOM 0 HA GLN B 20 9.304 -4.952 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.034 -2.278 -5.694 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.393 -2.684 -4.027 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.810 -4.552 -4.709 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.312 -4.390 -6.381 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.048 -1.516 -4.358 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.543 -1.100 -5.201 1.00 0.00 H new ATOM 280 N LEU B 21 7.956 -3.097 -3.051 1.00 0.00 N ATOM 281 CA LEU B 21 7.000 -2.304 -2.294 1.00 0.00 C ATOM 282 C LEU B 21 7.789 -1.452 -1.303 1.00 0.00 C ATOM 283 O LEU B 21 7.970 -1.809 -0.139 1.00 0.00 O ATOM 284 CB LEU B 21 5.892 -3.161 -1.665 1.00 0.00 C ATOM 285 CG LEU B 21 6.177 -4.654 -1.441 1.00 0.00 C ATOM 286 CD1 LEU B 21 7.192 -4.857 -0.314 1.00 0.00 C ATOM 287 CD2 LEU B 21 4.855 -5.349 -1.095 1.00 0.00 C ATOM 0 H LEU B 21 8.747 -3.409 -2.488 1.00 0.00 H new ATOM 0 HA LEU B 21 6.446 -1.636 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU B 21 5.636 -2.721 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU B 21 5.008 -3.081 -2.297 1.00 0.00 H new ATOM 0 HG LEU B 21 6.604 -5.082 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU B 21 7.375 -5.923 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU B 21 8.126 -4.358 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU B 21 6.798 -4.435 0.611 1.00 0.00 H new ATOM 0 HD21 LEU B 21 5.034 -6.412 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU B 21 4.438 -4.908 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU B 21 4.151 -5.222 -1.918 1.00 0.00 H new ATOM 299 N ASP B 22 8.291 -0.327 -1.820 1.00 0.00 N ATOM 300 CA ASP B 22 9.247 0.546 -1.158 1.00 0.00 C ATOM 301 C ASP B 22 8.607 1.328 -0.010 1.00 0.00 C ATOM 302 O ASP B 22 7.427 1.169 0.302 1.00 0.00 O ATOM 303 CB ASP B 22 9.838 1.515 -2.197 1.00 0.00 C ATOM 304 CG ASP B 22 10.328 0.811 -3.461 1.00 0.00 C ATOM 305 OD1 ASP B 22 11.083 -0.177 -3.325 1.00 0.00 O ATOM 306 OD2 ASP B 22 9.930 1.273 -4.552 1.00 0.00 O ATOM 0 H ASP B 22 8.028 0.008 -2.747 1.00 0.00 H new ATOM 0 HA ASP B 22 10.035 -0.070 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP B 22 9.083 2.252 -2.468 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.668 2.060 -1.747 1.00 0.00 H new ATOM 311 N ARG B 23 9.413 2.210 0.593 1.00 0.00 N ATOM 312 CA ARG B 23 8.979 3.206 1.558 1.00 0.00 C ATOM 313 C ARG B 23 7.848 4.039 0.944 1.00 0.00 C ATOM 314 O ARG B 23 6.781 4.163 1.531 1.00 0.00 O ATOM 315 CB ARG B 23 10.193 4.065 1.950 1.00 0.00 C ATOM 316 CG ARG B 23 10.048 4.783 3.297 1.00 0.00 C ATOM 317 CD ARG B 23 10.004 3.798 4.475 1.00 0.00 C ATOM 318 NE ARG B 23 10.585 4.395 5.686 1.00 0.00 N ATOM 319 CZ ARG B 23 10.683 3.793 6.882 1.00 0.00 C ATOM 320 NH1 ARG B 23 10.285 2.525 7.052 1.00 0.00 N ATOM 321 NH2 ARG B 23 11.170 4.487 7.918 1.00 0.00 N ATOM 0 H ARG B 23 10.416 2.244 0.411 1.00 0.00 H new ATOM 0 HA ARG B 23 8.588 2.741 2.463 1.00 0.00 H new ATOM 0 HB2 ARG B 23 11.078 3.429 1.984 1.00 0.00 H new ATOM 0 HB3 ARG B 23 10.364 4.809 1.172 1.00 0.00 H new ATOM 0 HG2 ARG B 23 10.882 5.472 3.432 1.00 0.00 H new ATOM 0 HG3 ARG B 23 9.137 5.382 3.292 1.00 0.00 H new ATOM 0 HD2 ARG B 23 8.972 3.505 4.669 1.00 0.00 H new ATOM 0 HD3 ARG B 23 10.550 2.891 4.215 1.00 0.00 H new ATOM 0 HE ARG B 23 10.944 5.347 5.611 1.00 0.00 H new ATOM 0 HH11 ARG B 23 9.900 2.001 6.266 1.00 0.00 H new ATOM 0 HH12 ARG B 23 10.367 2.083 7.968 1.00 0.00 H new ATOM 0 HH21 ARG B 23 11.459 5.457 7.791 1.00 0.00 H new ATOM 0 HH22 ARG B 23 11.252 4.046 8.834 1.00 0.00 H new ATOM 335 N ASP B 24 8.099 4.571 -0.256 1.00 0.00 N ATOM 336 CA ASP B 24 7.236 5.449 -1.034 1.00 0.00 C ATOM 337 C ASP B 24 5.899 4.833 -1.473 1.00 0.00 C ATOM 338 O ASP B 24 4.843 5.404 -1.207 1.00 0.00 O ATOM 339 CB ASP B 24 8.022 5.890 -2.277 1.00 0.00 C ATOM 340 CG ASP B 24 7.230 6.887 -3.118 1.00 0.00 C ATOM 341 OD1 ASP B 24 7.275 8.087 -2.770 1.00 0.00 O ATOM 342 OD2 ASP B 24 6.590 6.431 -4.090 1.00 0.00 O ATOM 0 H ASP B 24 8.977 4.382 -0.740 1.00 0.00 H new ATOM 0 HA ASP B 24 6.964 6.280 -0.383 1.00 0.00 H new ATOM 0 HB2 ASP B 24 8.966 6.341 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP B 24 8.267 5.017 -2.882 1.00 0.00 H new ATOM 347 N GLN B 25 5.955 3.708 -2.199 1.00 0.00 N ATOM 348 CA GLN B 25 4.809 3.131 -2.912 1.00 0.00 C ATOM 349 C GLN B 25 4.001 2.105 -2.101 1.00 0.00 C ATOM 350 O GLN B 25 4.448 1.640 -1.053 1.00 0.00 O ATOM 351 CB GLN B 25 5.295 2.574 -4.260 1.00 0.00 C ATOM 352 CG GLN B 25 6.318 1.441 -4.100 1.00 0.00 C ATOM 353 CD GLN B 25 6.832 0.907 -5.437 1.00 0.00 C ATOM 354 OE1 GLN B 25 6.865 1.623 -6.435 1.00 0.00 O ATOM 355 NE2 GLN B 25 7.237 -0.363 -5.459 1.00 0.00 N ATOM 0 H GLN B 25 6.812 3.165 -2.309 1.00 0.00 H new ATOM 0 HA GLN B 25 4.090 3.932 -3.084 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.439 2.207 -4.827 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.741 3.381 -4.842 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.161 1.801 -3.510 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.863 0.624 -3.540 1.00 0.00 H new ATOM 0 HE21 GLN B 25 7.195 -0.927 -4.610 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.589 -0.771 -6.325 1.00 0.00 H new ATOM 364 N CYS B 26 2.790 1.776 -2.592 1.00 0.00 N ATOM 365 CA CYS B 26 1.838 0.897 -1.915 1.00 0.00 C ATOM 366 C CYS B 26 2.381 -0.519 -1.738 1.00 0.00 C ATOM 367 O CYS B 26 2.921 -1.119 -2.667 1.00 0.00 O ATOM 368 CB CYS B 26 0.476 0.842 -2.631 1.00 0.00 C ATOM 369 SG CYS B 26 -0.673 -0.343 -1.854 1.00 0.00 S ATOM 0 H CYS B 26 2.447 2.124 -3.487 1.00 0.00 H new ATOM 0 HA CYS B 26 1.690 1.336 -0.929 1.00 0.00 H new ATOM 0 HB2 CYS B 26 0.027 1.835 -2.627 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.628 0.565 -3.674 1.00 0.00 H new ATOM 374 N ALA B 27 2.173 -1.057 -0.534 1.00 0.00 N ATOM 375 CA ALA B 27 2.560 -2.393 -0.124 1.00 0.00 C ATOM 376 C ALA B 27 1.536 -3.452 -0.539 1.00 0.00 C ATOM 377 O ALA B 27 1.155 -4.308 0.256 1.00 0.00 O ATOM 378 CB ALA B 27 2.770 -2.370 1.387 1.00 0.00 C ATOM 0 H ALA B 27 1.707 -0.541 0.212 1.00 0.00 H new ATOM 0 HA ALA B 27 3.484 -2.676 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.063 -3.363 1.729 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.555 -1.655 1.634 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.843 -2.076 1.879 1.00 0.00 H new ATOM 384 N TYR B 28 1.079 -3.396 -1.790 1.00 0.00 N ATOM 385 CA TYR B 28 -0.014 -4.229 -2.272 1.00 0.00 C ATOM 386 C TYR B 28 -0.087 -4.109 -3.790 1.00 0.00 C ATOM 387 O TYR B 28 -0.101 -5.101 -4.516 1.00 0.00 O ATOM 388 CB TYR B 28 -1.333 -3.762 -1.627 1.00 0.00 C ATOM 389 CG TYR B 28 -2.396 -4.832 -1.508 1.00 0.00 C ATOM 390 CD1 TYR B 28 -3.154 -5.202 -2.634 1.00 0.00 C ATOM 391 CD2 TYR B 28 -2.634 -5.454 -0.268 1.00 0.00 C ATOM 392 CE1 TYR B 28 -4.133 -6.204 -2.526 1.00 0.00 C ATOM 393 CE2 TYR B 28 -3.605 -6.465 -0.164 1.00 0.00 C ATOM 394 CZ TYR B 28 -4.354 -6.841 -1.293 1.00 0.00 C ATOM 395 OH TYR B 28 -5.290 -7.829 -1.199 1.00 0.00 O ATOM 0 H TYR B 28 1.460 -2.768 -2.497 1.00 0.00 H new ATOM 0 HA TYR B 28 0.154 -5.272 -2.003 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.117 -3.373 -0.632 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -1.734 -2.935 -2.213 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -2.983 -4.715 -3.583 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -2.071 -5.155 0.603 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -4.716 -6.485 -3.391 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -3.776 -6.953 0.784 1.00 0.00 H new ATOM 0 HH TYR B 28 -5.319 -8.166 -0.279 1.00 0.00 H new ATOM 405 N CYS B 29 -0.128 -2.856 -4.244 1.00 0.00 N ATOM 406 CA CYS B 29 -0.398 -2.444 -5.610 1.00 0.00 C ATOM 407 C CYS B 29 0.837 -1.814 -6.229 1.00 0.00 C ATOM 408 O CYS B 29 0.991 -1.886 -7.447 1.00 0.00 O ATOM 409 CB CYS B 29 -1.537 -1.422 -5.625 1.00 0.00 C ATOM 410 SG CYS B 29 -2.942 -1.861 -4.616 1.00 0.00 S ATOM 0 H CYS B 29 0.037 -2.060 -3.628 1.00 0.00 H new ATOM 0 HA CYS B 29 -0.679 -3.325 -6.187 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -1.150 -0.461 -5.287 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -1.873 -1.287 -6.653 1.00 0.00 H new ATOM 415 N LYS B 30 1.688 -1.195 -5.391 1.00 0.00 N ATOM 416 CA LYS B 30 2.808 -0.353 -5.785 1.00 0.00 C ATOM 417 C LYS B 30 2.385 0.541 -6.957 1.00 0.00 C ATOM 418 O LYS B 30 2.971 0.519 -8.038 1.00 0.00 O ATOM 419 CB LYS B 30 4.102 -1.170 -5.976 1.00 0.00 C ATOM 420 CG LYS B 30 3.970 -2.586 -6.555 1.00 0.00 C ATOM 421 CD LYS B 30 3.580 -3.651 -5.510 1.00 0.00 C ATOM 422 CE LYS B 30 3.164 -4.966 -6.177 1.00 0.00 C ATOM 423 NZ LYS B 30 1.811 -4.882 -6.759 1.00 0.00 N ATOM 0 H LYS B 30 1.601 -1.278 -4.378 1.00 0.00 H new ATOM 0 HA LYS B 30 3.077 0.332 -4.980 1.00 0.00 H new ATOM 0 HB2 LYS B 30 4.765 -0.601 -6.628 1.00 0.00 H new ATOM 0 HB3 LYS B 30 4.596 -1.248 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS B 30 3.221 -2.576 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS B 30 4.917 -2.871 -7.014 1.00 0.00 H new ATOM 0 HD2 LYS B 30 4.422 -3.831 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.760 -3.277 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.880 -5.220 -6.958 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.194 -5.771 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 1.619 -5.739 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 1.109 -4.800 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.750 -4.047 -7.376 1.00 0.00 H new ATOM 437 N GLU B 31 1.304 1.292 -6.705 1.00 0.00 N ATOM 438 CA GLU B 31 0.550 2.070 -7.675 1.00 0.00 C ATOM 439 C GLU B 31 1.031 3.524 -7.707 1.00 0.00 C ATOM 440 O GLU B 31 1.786 3.961 -6.839 1.00 0.00 O ATOM 441 CB GLU B 31 -0.942 1.918 -7.330 1.00 0.00 C ATOM 442 CG GLU B 31 -1.924 2.515 -8.355 1.00 0.00 C ATOM 443 CD GLU B 31 -2.395 3.936 -8.044 1.00 0.00 C ATOM 444 OE1 GLU B 31 -1.928 4.514 -7.038 1.00 0.00 O ATOM 445 OE2 GLU B 31 -3.237 4.422 -8.829 1.00 0.00 O ATOM 0 H GLU B 31 0.918 1.372 -5.764 1.00 0.00 H new ATOM 0 HA GLU B 31 0.710 1.703 -8.689 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -1.164 0.857 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -1.123 2.388 -6.363 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -1.449 2.512 -9.336 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -2.797 1.865 -8.422 1.00 0.00 H new ATOM 452 N LYS B 32 0.587 4.241 -8.746 1.00 0.00 N ATOM 453 CA LYS B 32 0.866 5.627 -9.087 1.00 0.00 C ATOM 454 C LYS B 32 1.029 6.542 -7.873 1.00 0.00 C ATOM 455 O LYS B 32 2.048 7.223 -7.762 1.00 0.00 O ATOM 456 CB LYS B 32 -0.281 6.148 -9.961 1.00 0.00 C ATOM 457 CG LYS B 32 -0.374 5.451 -11.325 1.00 0.00 C ATOM 458 CD LYS B 32 -1.798 5.595 -11.875 1.00 0.00 C ATOM 459 CE LYS B 32 -1.886 5.235 -13.363 1.00 0.00 C ATOM 460 NZ LYS B 32 -1.526 3.829 -13.615 1.00 0.00 N ATOM 0 H LYS B 32 -0.037 3.816 -9.432 1.00 0.00 H new ATOM 0 HA LYS B 32 1.821 5.644 -9.612 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.223 6.015 -9.429 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -0.151 7.219 -10.117 1.00 0.00 H new ATOM 0 HG2 LYS B 32 0.342 5.890 -12.020 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -0.116 4.397 -11.225 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -2.471 4.952 -11.308 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -2.139 6.620 -11.731 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -2.899 5.419 -13.721 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -1.223 5.886 -13.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -1.648 3.615 -14.625 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -0.534 3.671 -13.345 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -2.141 3.207 -13.053 1.00 0.00 H new ATOM 474 N GLY B 33 0.017 6.604 -6.996 1.00 0.00 N ATOM 475 CA GLY B 33 -0.002 7.603 -5.941 1.00 0.00 C ATOM 476 C GLY B 33 -0.979 7.309 -4.810 1.00 0.00 C ATOM 477 O GLY B 33 -1.819 8.146 -4.483 1.00 0.00 O ATOM 0 H GLY B 33 -0.787 5.977 -7.003 1.00 0.00 H new ATOM 0 HA2 GLY B 33 1.001 7.692 -5.524 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -0.252 8.570 -6.378 1.00 0.00 H new ATOM 481 N HIS B 34 -0.837 6.135 -4.193 1.00 0.00 N ATOM 482 CA HIS B 34 -1.503 5.796 -2.941 1.00 0.00 C ATOM 483 C HIS B 34 -0.593 4.846 -2.156 1.00 0.00 C ATOM 484 O HIS B 34 0.411 4.375 -2.692 1.00 0.00 O ATOM 485 CB HIS B 34 -2.941 5.286 -3.146 1.00 0.00 C ATOM 486 CG HIS B 34 -3.091 3.835 -3.528 1.00 0.00 C ATOM 487 ND1 HIS B 34 -3.657 3.379 -4.697 1.00 0.00 N ATOM 488 CD2 HIS B 34 -2.787 2.689 -2.850 1.00 0.00 C ATOM 489 CE1 HIS B 34 -3.624 2.035 -4.634 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.093 1.508 -3.518 1.00 0.00 N ATOM 0 H HIS B 34 -0.248 5.385 -4.556 1.00 0.00 H new ATOM 0 HA HIS B 34 -1.649 6.695 -2.342 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.498 5.456 -2.225 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -3.412 5.893 -3.919 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.028 3.947 -5.459 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.341 2.699 -1.866 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.002 1.416 -5.434 1.00 0.00 H new ATOM 498 N TRP B 35 -0.924 4.594 -0.884 1.00 0.00 N ATOM 499 CA TRP B 35 -0.108 3.797 0.027 1.00 0.00 C ATOM 500 C TRP B 35 -0.938 2.704 0.683 1.00 0.00 C ATOM 501 O TRP B 35 -2.161 2.787 0.650 1.00 0.00 O ATOM 502 CB TRP B 35 0.469 4.720 1.098 1.00 0.00 C ATOM 503 CG TRP B 35 1.866 4.444 1.528 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.885 4.058 0.730 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.430 4.585 2.856 1.00 0.00 C ATOM 506 NE1 TRP B 35 4.042 3.968 1.466 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.823 4.304 2.783 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.909 4.971 4.106 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.660 4.394 3.900 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.744 5.097 5.226 1.00 0.00 C ATOM 511 CH2 TRP B 35 4.115 4.809 5.122 1.00 0.00 C ATOM 0 H TRP B 35 -1.781 4.946 -0.456 1.00 0.00 H new ATOM 0 HA TRP B 35 0.695 3.320 -0.535 1.00 0.00 H new ATOM 0 HB2 TRP B 35 0.422 5.744 0.728 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.175 4.669 1.976 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.803 3.851 -0.327 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.946 3.688 1.086 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.853 5.173 4.204 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.709 4.148 3.822 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.331 5.417 6.172 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.752 4.908 5.988 1.00 0.00 H new ATOM 522 N ALA B 36 -0.297 1.719 1.330 1.00 0.00 N ATOM 523 CA ALA B 36 -1.024 0.647 2.010 1.00 0.00 C ATOM 524 C ALA B 36 -1.947 1.162 3.125 1.00 0.00 C ATOM 525 O ALA B 36 -2.844 0.435 3.546 1.00 0.00 O ATOM 526 CB ALA B 36 -0.073 -0.452 2.494 1.00 0.00 C ATOM 0 H ALA B 36 0.718 1.646 1.394 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.687 0.198 1.270 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.645 -1.233 2.995 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.454 -0.879 1.641 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.649 -0.027 3.191 1.00 0.00 H new ATOM 532 N LYS B 37 -1.774 2.414 3.577 1.00 0.00 N ATOM 533 CA LYS B 37 -2.721 3.081 4.462 1.00 0.00 C ATOM 534 C LYS B 37 -4.063 3.287 3.747 1.00 0.00 C ATOM 535 O LYS B 37 -5.102 2.823 4.211 1.00 0.00 O ATOM 536 CB LYS B 37 -2.154 4.437 4.911 1.00 0.00 C ATOM 537 CG LYS B 37 -1.101 4.322 6.020 1.00 0.00 C ATOM 538 CD LYS B 37 -1.735 4.021 7.387 1.00 0.00 C ATOM 539 CE LYS B 37 -0.678 3.918 8.490 1.00 0.00 C ATOM 540 NZ LYS B 37 -0.013 5.204 8.762 1.00 0.00 N ATOM 0 H LYS B 37 -0.967 2.988 3.333 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.883 2.454 5.339 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -1.711 4.940 4.051 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -2.972 5.066 5.261 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -0.393 3.533 5.767 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -0.535 5.251 6.080 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -2.448 4.806 7.638 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.295 3.088 7.331 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -1.147 3.556 9.405 1.00 0.00 H new ATOM 0 HE3 LYS B 37 0.071 3.180 8.202 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 0.618 5.102 9.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 0.543 5.490 7.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -0.730 5.930 8.965 1.00 0.00 H new ATOM 554 N ASP B 38 -4.017 4.016 2.628 1.00 0.00 N ATOM 555 CA ASP B 38 -5.169 4.486 1.862 1.00 0.00 C ATOM 556 C ASP B 38 -5.768 3.400 0.959 1.00 0.00 C ATOM 557 O ASP B 38 -6.954 3.450 0.637 1.00 0.00 O ATOM 558 CB ASP B 38 -4.706 5.663 0.990 1.00 0.00 C ATOM 559 CG ASP B 38 -5.866 6.311 0.240 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.647 7.025 0.906 1.00 0.00 O ATOM 561 OD2 ASP B 38 -5.947 6.081 -0.987 1.00 0.00 O ATOM 0 H ASP B 38 -3.131 4.307 2.214 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.948 4.779 2.566 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -4.218 6.409 1.618 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -3.962 5.313 0.274 1.00 0.00 H new ATOM 566 N CYS B 39 -4.923 2.455 0.535 1.00 0.00 N ATOM 567 CA CYS B 39 -5.138 1.446 -0.486 1.00 0.00 C ATOM 568 C CYS B 39 -6.567 0.893 -0.571 1.00 0.00 C ATOM 569 O CYS B 39 -7.095 0.420 0.434 1.00 0.00 O ATOM 570 CB CYS B 39 -4.133 0.324 -0.249 1.00 0.00 C ATOM 571 SG CYS B 39 -4.284 -1.054 -1.397 1.00 0.00 S ATOM 0 H CYS B 39 -3.990 2.377 0.939 1.00 0.00 H new ATOM 0 HA CYS B 39 -4.989 1.928 -1.452 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.125 0.733 -0.320 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.255 -0.049 0.768 1.00 0.00 H new ATOM 576 N PRO B 40 -7.191 0.918 -1.764 1.00 0.00 N ATOM 577 CA PRO B 40 -8.541 0.435 -1.983 1.00 0.00 C ATOM 578 C PRO B 40 -8.567 -1.092 -2.080 1.00 0.00 C ATOM 579 O PRO B 40 -9.552 -1.716 -1.689 1.00 0.00 O ATOM 580 CB PRO B 40 -8.975 1.095 -3.293 1.00 0.00 C ATOM 581 CG PRO B 40 -7.687 1.157 -4.102 1.00 0.00 C ATOM 582 CD PRO B 40 -6.625 1.370 -3.027 1.00 0.00 C ATOM 0 HA PRO B 40 -9.214 0.684 -1.162 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -9.741 0.511 -3.802 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.391 2.088 -3.124 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.517 0.238 -4.663 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.701 1.973 -4.824 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -5.720 0.811 -3.265 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.344 2.421 -2.968 1.00 0.00 H new ATOM 590 N LYS B 41 -7.486 -1.691 -2.598 1.00 0.00 N ATOM 591 CA LYS B 41 -7.357 -3.134 -2.751 1.00 0.00 C ATOM 592 C LYS B 41 -7.112 -3.838 -1.413 1.00 0.00 C ATOM 593 O LYS B 41 -7.244 -5.058 -1.331 1.00 0.00 O ATOM 594 CB LYS B 41 -6.241 -3.459 -3.749 1.00 0.00 C ATOM 595 CG LYS B 41 -6.422 -2.702 -5.066 1.00 0.00 C ATOM 596 CD LYS B 41 -5.643 -3.433 -6.159 1.00 0.00 C ATOM 597 CE LYS B 41 -5.501 -2.561 -7.409 1.00 0.00 C ATOM 598 NZ LYS B 41 -4.668 -3.225 -8.425 1.00 0.00 N ATOM 0 H LYS B 41 -6.670 -1.174 -2.925 1.00 0.00 H new ATOM 0 HA LYS B 41 -8.304 -3.511 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.276 -3.203 -3.312 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.228 -4.531 -3.944 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -7.479 -2.645 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -6.063 -1.678 -4.966 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -4.655 -3.704 -5.787 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -6.153 -4.361 -6.415 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -6.487 -2.350 -7.823 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -5.057 -1.603 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.588 -2.613 -9.262 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -3.721 -3.404 -8.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -5.106 -4.128 -8.697 1.00 0.00 H new ATOM 612 N LYS B 42 -6.762 -3.076 -0.369 1.00 0.00 N ATOM 613 CA LYS B 42 -6.526 -3.590 0.970 1.00 0.00 C ATOM 614 C LYS B 42 -7.798 -4.272 1.494 1.00 0.00 C ATOM 615 O LYS B 42 -8.863 -3.654 1.462 1.00 0.00 O ATOM 616 CB LYS B 42 -6.120 -2.427 1.882 1.00 0.00 C ATOM 617 CG LYS B 42 -5.538 -2.904 3.213 1.00 0.00 C ATOM 618 CD LYS B 42 -5.350 -1.711 4.158 1.00 0.00 C ATOM 619 CE LYS B 42 -4.201 -1.946 5.140 1.00 0.00 C ATOM 620 NZ LYS B 42 -4.355 -3.202 5.895 1.00 0.00 N ATOM 0 H LYS B 42 -6.635 -2.067 -0.441 1.00 0.00 H new ATOM 0 HA LYS B 42 -5.724 -4.328 0.953 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -5.385 -1.806 1.369 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.990 -1.799 2.074 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -6.203 -3.638 3.668 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -4.582 -3.400 3.045 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -5.153 -0.812 3.575 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -6.272 -1.536 4.712 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -3.258 -1.967 4.593 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -4.146 -1.110 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -3.427 -3.509 6.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -5.000 -3.049 6.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -4.746 -3.936 5.271 1.00 0.00 H new ATOM 634 N PRO B 43 -7.720 -5.527 1.972 1.00 0.00 N ATOM 635 CA PRO B 43 -8.885 -6.277 2.412 1.00 0.00 C ATOM 636 C PRO B 43 -9.505 -5.605 3.637 1.00 0.00 C ATOM 637 O PRO B 43 -8.817 -5.380 4.633 1.00 0.00 O ATOM 638 CB PRO B 43 -8.383 -7.692 2.713 1.00 0.00 C ATOM 639 CG PRO B 43 -6.906 -7.484 3.042 1.00 0.00 C ATOM 640 CD PRO B 43 -6.516 -6.325 2.127 1.00 0.00 C ATOM 0 HA PRO B 43 -9.671 -6.311 1.657 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -8.921 -8.139 3.549 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -8.514 -8.355 1.858 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -6.757 -7.238 4.093 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -6.316 -8.377 2.837 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -5.709 -5.736 2.563 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -6.160 -6.689 1.163 1.00 0.00 H new ATOM 648 N ARG B 44 -10.798 -5.267 3.531 1.00 0.00 N ATOM 649 CA ARG B 44 -11.581 -4.515 4.506 1.00 0.00 C ATOM 650 C ARG B 44 -10.818 -3.317 5.095 1.00 0.00 C ATOM 651 O ARG B 44 -10.905 -3.046 6.293 1.00 0.00 O ATOM 652 CB ARG B 44 -12.192 -5.459 5.562 1.00 0.00 C ATOM 653 CG ARG B 44 -11.169 -6.245 6.396 1.00 0.00 C ATOM 654 CD ARG B 44 -11.854 -7.069 7.493 1.00 0.00 C ATOM 655 NE ARG B 44 -12.741 -8.105 6.943 1.00 0.00 N ATOM 656 CZ ARG B 44 -12.353 -9.293 6.449 1.00 0.00 C ATOM 657 NH1 ARG B 44 -11.054 -9.611 6.352 1.00 0.00 N ATOM 658 NH2 ARG B 44 -13.282 -10.171 6.050 1.00 0.00 N ATOM 0 H ARG B 44 -11.351 -5.529 2.715 1.00 0.00 H new ATOM 0 HA ARG B 44 -12.419 -4.057 3.980 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -12.814 -4.871 6.237 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -12.849 -6.168 5.058 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -10.598 -6.907 5.745 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -10.459 -5.553 6.849 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -11.095 -7.539 8.119 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -12.431 -6.405 8.136 1.00 0.00 H new ATOM 0 HE ARG B 44 -13.741 -7.904 6.936 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -10.342 -8.947 6.656 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -10.778 -10.517 5.975 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -14.272 -9.935 6.123 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -13.000 -11.076 5.673 1.00 0.00 H new ATOM 672 N GLY B 45 -10.090 -2.583 4.242 1.00 0.00 N ATOM 673 CA GLY B 45 -9.244 -1.477 4.657 1.00 0.00 C ATOM 674 C GLY B 45 -10.051 -0.190 4.852 1.00 0.00 C ATOM 675 O GLY B 45 -10.619 0.003 5.926 1.00 0.00 O ATOM 0 H GLY B 45 -10.078 -2.750 3.236 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -8.739 -1.734 5.588 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -8.469 -1.311 3.909 1.00 0.00 H new ATOM 679 N PRO B 46 -10.096 0.705 3.850 1.00 0.00 N ATOM 680 CA PRO B 46 -10.719 2.016 3.966 1.00 0.00 C ATOM 681 C PRO B 46 -12.245 1.908 3.969 1.00 0.00 C ATOM 682 O PRO B 46 -12.807 0.966 3.412 1.00 0.00 O ATOM 683 CB PRO B 46 -10.220 2.809 2.755 1.00 0.00 C ATOM 684 CG PRO B 46 -9.997 1.721 1.707 1.00 0.00 C ATOM 685 CD PRO B 46 -9.473 0.556 2.546 1.00 0.00 C ATOM 0 HA PRO B 46 -10.456 2.505 4.904 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -10.952 3.545 2.424 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -9.301 3.351 2.977 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -10.920 1.464 1.187 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -9.278 2.030 0.948 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -9.733 -0.401 2.094 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -8.386 0.587 2.625 1.00 0.00 H new ATOM 693 N ARG B 47 -12.906 2.886 4.603 1.00 0.00 N ATOM 694 CA ARG B 47 -14.354 2.937 4.756 1.00 0.00 C ATOM 695 C ARG B 47 -15.053 2.789 3.401 1.00 0.00 C ATOM 696 O ARG B 47 -14.742 3.511 2.455 1.00 0.00 O ATOM 697 CB ARG B 47 -14.744 4.251 5.447 1.00 0.00 C ATOM 698 CG ARG B 47 -16.248 4.318 5.743 1.00 0.00 C ATOM 699 CD ARG B 47 -16.587 5.614 6.484 1.00 0.00 C ATOM 700 NE ARG B 47 -18.028 5.705 6.754 1.00 0.00 N ATOM 701 CZ ARG B 47 -18.630 6.740 7.366 1.00 0.00 C ATOM 702 NH1 ARG B 47 -17.917 7.793 7.790 1.00 0.00 N ATOM 703 NH2 ARG B 47 -19.956 6.717 7.554 1.00 0.00 N ATOM 0 H ARG B 47 -12.431 3.680 5.032 1.00 0.00 H new ATOM 0 HA ARG B 47 -14.680 2.103 5.377 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -14.186 4.351 6.378 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -14.461 5.092 4.814 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -16.811 4.266 4.811 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -16.546 3.459 6.344 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -16.034 5.656 7.423 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -16.270 6.471 5.889 1.00 0.00 H new ATOM 0 HE ARG B 47 -18.615 4.926 6.455 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -16.907 7.815 7.650 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -18.385 8.572 8.253 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -20.503 5.918 7.234 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -20.419 7.499 8.018 1.00 0.00 H new ATOM 717 N GLY B 48 -15.989 1.839 3.319 1.00 0.00 N ATOM 718 CA GLY B 48 -16.700 1.501 2.099 1.00 0.00 C ATOM 719 C GLY B 48 -17.691 0.371 2.386 1.00 0.00 C ATOM 720 O GLY B 48 -18.024 0.138 3.549 1.00 0.00 O ATOM 0 H GLY B 48 -16.274 1.276 4.120 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -17.228 2.375 1.719 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -15.995 1.194 1.327 1.00 0.00 H new ATOM 724 N PRO B 49 -18.146 -0.359 1.354 1.00 0.00 N ATOM 725 CA PRO B 49 -19.056 -1.483 1.481 1.00 0.00 C ATOM 726 C PRO B 49 -18.200 -2.715 1.773 1.00 0.00 C ATOM 727 O PRO B 49 -18.183 -3.680 1.010 1.00 0.00 O ATOM 728 CB PRO B 49 -19.746 -1.549 0.116 1.00 0.00 C ATOM 729 CG PRO B 49 -18.624 -1.157 -0.849 1.00 0.00 C ATOM 730 CD PRO B 49 -17.749 -0.197 -0.034 1.00 0.00 C ATOM 0 HA PRO B 49 -19.798 -1.407 2.276 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -20.131 -2.547 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -20.590 -0.862 0.056 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -18.059 -2.029 -1.179 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -19.018 -0.675 -1.744 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -16.692 -0.429 -0.165 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -17.893 0.833 -0.362 1.00 0.00 H new ATOM 738 N ARG B 50 -17.443 -2.646 2.873 1.00 0.00 N ATOM 739 CA ARG B 50 -16.406 -3.609 3.174 1.00 0.00 C ATOM 740 C ARG B 50 -16.986 -4.987 3.516 1.00 0.00 C ATOM 741 O ARG B 50 -18.092 -5.063 4.049 1.00 0.00 O ATOM 742 CB ARG B 50 -15.573 -3.110 4.358 1.00 0.00 C ATOM 743 CG ARG B 50 -14.652 -1.944 3.986 1.00 0.00 C ATOM 744 CD ARG B 50 -13.746 -1.620 5.176 1.00 0.00 C ATOM 745 NE ARG B 50 -14.457 -0.905 6.240 1.00 0.00 N ATOM 746 CZ ARG B 50 -13.943 -0.672 7.459 1.00 0.00 C ATOM 747 NH1 ARG B 50 -12.691 -1.049 7.762 1.00 0.00 N ATOM 748 NH2 ARG B 50 -14.691 -0.058 8.384 1.00 0.00 N ATOM 0 H ARG B 50 -17.541 -1.913 3.576 1.00 0.00 H new ATOM 0 HA ARG B 50 -15.784 -3.714 2.285 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -16.241 -2.798 5.160 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -14.972 -3.932 4.746 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -14.050 -2.204 3.115 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -15.244 -1.070 3.715 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -13.332 -2.545 5.577 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -12.905 -1.016 4.835 1.00 0.00 H new ATOM 0 HE ARG B 50 -15.398 -0.564 6.043 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -12.117 -1.519 7.062 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -12.314 -0.865 8.692 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -15.644 0.229 8.161 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -14.308 0.123 9.312 1.00 0.00 H new ATOM 762 N PRO B 51 -16.230 -6.073 3.272 1.00 0.00 N ATOM 763 CA PRO B 51 -16.558 -7.413 3.740 1.00 0.00 C ATOM 764 C PRO B 51 -16.838 -7.460 5.246 1.00 0.00 C ATOM 765 O PRO B 51 -17.837 -8.043 5.662 1.00 0.00 O ATOM 766 CB PRO B 51 -15.349 -8.286 3.381 1.00 0.00 C ATOM 767 CG PRO B 51 -14.756 -7.576 2.168 1.00 0.00 C ATOM 768 CD PRO B 51 -15.010 -6.102 2.479 1.00 0.00 C ATOM 0 HA PRO B 51 -17.475 -7.766 3.268 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -14.635 -8.344 4.203 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -15.646 -9.308 3.145 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -13.693 -7.788 2.055 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -15.242 -7.883 1.242 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -14.175 -5.668 3.029 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -15.124 -5.522 1.563 1.00 0.00 H new ATOM 776 N GLN B 52 -15.942 -6.864 6.049 1.00 0.00 N ATOM 777 CA GLN B 52 -15.966 -6.884 7.511 1.00 0.00 C ATOM 778 C GLN B 52 -15.831 -8.309 8.065 1.00 0.00 C ATOM 779 O GLN B 52 -15.701 -9.271 7.308 1.00 0.00 O ATOM 780 CB GLN B 52 -17.198 -6.140 8.063 1.00 0.00 C ATOM 781 CG GLN B 52 -17.236 -4.668 7.631 1.00 0.00 C ATOM 782 CD GLN B 52 -16.042 -3.884 8.172 1.00 0.00 C ATOM 783 OE1 GLN B 52 -15.055 -3.682 7.469 1.00 0.00 O ATOM 784 NE2 GLN B 52 -16.122 -3.444 9.429 1.00 0.00 N ATOM 0 H GLN B 52 -15.152 -6.336 5.678 1.00 0.00 H new ATOM 0 HA GLN B 52 -15.090 -6.340 7.865 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -18.104 -6.640 7.720 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -17.195 -6.196 9.152 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -17.246 -4.609 6.543 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -18.160 -4.210 7.983 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -16.958 -3.631 9.983 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -15.347 -2.921 9.836 1.00 0.00 H new ATOM 793 N THR B 53 -15.789 -8.428 9.395 1.00 0.00 N ATOM 794 CA THR B 53 -15.598 -9.680 10.112 1.00 0.00 C ATOM 795 C THR B 53 -16.029 -9.474 11.566 1.00 0.00 C ATOM 796 O THR B 53 -15.860 -8.335 12.056 1.00 0.00 O ATOM 797 CB THR B 53 -14.137 -10.154 9.986 1.00 0.00 C ATOM 798 OG1 THR B 53 -13.975 -11.409 10.613 1.00 0.00 O ATOM 799 CG2 THR B 53 -13.126 -9.161 10.574 1.00 0.00 C ATOM 800 OXT THR B 53 -16.536 -10.451 12.159 1.00 0.00 O ATOM 0 H THR B 53 -15.891 -7.626 10.017 1.00 0.00 H new ATOM 0 HA THR B 53 -16.213 -10.470 9.680 1.00 0.00 H new ATOM 0 HB THR B 53 -13.932 -10.232 8.918 1.00 0.00 H new ATOM 0 HG1 THR B 53 -13.044 -11.701 10.525 1.00 0.00 H new ATOM 0 HG21 THR B 53 -12.117 -9.555 10.453 1.00 0.00 H new ATOM 0 HG22 THR B 53 -13.208 -8.207 10.053 1.00 0.00 H new ATOM 0 HG23 THR B 53 -13.334 -9.015 11.634 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -2.733 -0.402 -2.896 1.00 0.00 ZN