USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 34 HIS HE2 : B 34 HIS NE2 : B 55 ZNZN :(H bumps) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 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= -1.19 X(o=-1.2,f=-1.2) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 158:sc= 1.34 (180deg=0.659) USER MOD Single : B 32 LYS NZ :NH3+ -165:sc= -0.126 (180deg=-0.539) USER MOD Single : B 37 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0197) USER MOD Single : B 41 LYS NZ :NH3+ 136:sc= 1.11 (180deg=0.122) USER MOD Single : B 42 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.1) USER MOD Single : B 52 GLN : amide:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.636 -7.955 0.735 1.00 0.00 O ATOM 2 C5' DA A 1 1.827 -8.131 1.470 1.00 0.00 C ATOM 3 C4' DA A 1 1.612 -7.893 2.973 1.00 0.00 C ATOM 4 O4' DA A 1 2.880 -7.814 3.603 1.00 0.00 O ATOM 5 C3' DA A 1 0.885 -6.598 3.338 1.00 0.00 C ATOM 6 O3' DA A 1 0.471 -6.664 4.696 1.00 0.00 O ATOM 7 C2' DA A 1 2.059 -5.657 3.180 1.00 0.00 C ATOM 8 C1' DA A 1 3.133 -6.455 3.920 1.00 0.00 C ATOM 9 N9 DA A 1 4.520 -6.107 3.550 1.00 0.00 N ATOM 10 C8 DA A 1 5.026 -5.792 2.317 1.00 0.00 C ATOM 11 N7 DA A 1 6.312 -5.584 2.300 1.00 0.00 N ATOM 12 C5 DA A 1 6.692 -5.770 3.623 1.00 0.00 C ATOM 13 C6 DA A 1 7.934 -5.695 4.288 1.00 0.00 C ATOM 14 N6 DA A 1 9.076 -5.390 3.660 1.00 0.00 N ATOM 15 N1 DA A 1 7.968 -5.939 5.613 1.00 0.00 N ATOM 16 C2 DA A 1 6.833 -6.231 6.245 1.00 0.00 C ATOM 17 N3 DA A 1 5.606 -6.327 5.737 1.00 0.00 N ATOM 18 C4 DA A 1 5.603 -6.083 4.398 1.00 0.00 C ATOM 0 H5' DA A 1 2.588 -7.444 1.099 1.00 0.00 H new ATOM 0 H5'' DA A 1 2.205 -9.141 1.313 1.00 0.00 H new ATOM 0 H4' DA A 1 0.990 -8.726 3.302 1.00 0.00 H new ATOM 0 H3' DA A 1 -0.009 -6.345 2.768 1.00 0.00 H new ATOM 0 H2' DA A 1 2.315 -5.481 2.135 1.00 0.00 H new ATOM 0 H2'' DA A 1 1.877 -4.682 3.632 1.00 0.00 H new ATOM 0 HO5' DA A 1 0.812 -8.113 -0.216 1.00 0.00 H new ATOM 0 H1' DA A 1 3.068 -6.232 4.985 1.00 0.00 H new ATOM 0 H8 DA A 1 4.410 -5.722 1.432 1.00 0.00 H new ATOM 0 H61 DA A 1 9.950 -5.348 4.184 1.00 0.00 H new ATOM 0 H62 DA A 1 9.072 -5.200 2.658 1.00 0.00 H new ATOM 0 H2 DA A 1 6.919 -6.413 7.306 1.00 0.00 H new ATOM 31 P DC A 2 -0.742 -5.779 5.289 1.00 0.00 P ATOM 32 OP1 DC A 2 -0.783 -5.988 6.752 1.00 0.00 O ATOM 33 OP2 DC A 2 -1.946 -6.081 4.482 1.00 0.00 O ATOM 34 O5' DC A 2 -0.326 -4.240 4.997 1.00 0.00 O ATOM 35 C5' DC A 2 0.047 -3.329 6.022 1.00 0.00 C ATOM 36 C4' DC A 2 1.432 -3.620 6.616 1.00 0.00 C ATOM 37 O4' DC A 2 2.416 -3.603 5.599 1.00 0.00 O ATOM 38 C3' DC A 2 1.867 -2.550 7.635 1.00 0.00 C ATOM 39 O3' DC A 2 2.031 -3.133 8.917 1.00 0.00 O ATOM 40 C2' DC A 2 3.217 -2.086 7.081 1.00 0.00 C ATOM 41 C1' DC A 2 3.633 -3.258 6.213 1.00 0.00 C ATOM 42 N1 DC A 2 4.720 -2.893 5.265 1.00 0.00 N ATOM 43 C2 DC A 2 6.038 -2.921 5.725 1.00 0.00 C ATOM 44 O2 DC A 2 6.291 -3.157 6.904 1.00 0.00 O ATOM 45 N3 DC A 2 7.044 -2.694 4.830 1.00 0.00 N ATOM 46 C4 DC A 2 6.783 -2.431 3.542 1.00 0.00 C ATOM 47 N4 DC A 2 7.813 -2.260 2.703 1.00 0.00 N ATOM 48 C5 DC A 2 5.432 -2.323 3.068 1.00 0.00 C ATOM 49 C6 DC A 2 4.444 -2.548 3.968 1.00 0.00 C ATOM 0 H5' DC A 2 -0.697 -3.363 6.818 1.00 0.00 H new ATOM 0 H5'' DC A 2 0.037 -2.316 5.620 1.00 0.00 H new ATOM 0 H4' DC A 2 1.350 -4.594 7.099 1.00 0.00 H new ATOM 0 H3' DC A 2 1.147 -1.741 7.755 1.00 0.00 H new ATOM 0 H2' DC A 2 3.125 -1.166 6.504 1.00 0.00 H new ATOM 0 H2'' DC A 2 3.938 -1.893 7.876 1.00 0.00 H new ATOM 0 H1' DC A 2 4.075 -4.094 6.755 1.00 0.00 H new ATOM 0 H41 DC A 2 7.640 -2.059 1.718 1.00 0.00 H new ATOM 0 H42 DC A 2 8.770 -2.331 3.049 1.00 0.00 H new ATOM 0 H5 DC A 2 5.213 -2.074 2.040 1.00 0.00 H new ATOM 0 H6 DC A 2 3.415 -2.453 3.655 1.00 0.00 H new ATOM 61 P DG A 3 1.956 -2.259 10.278 1.00 0.00 P ATOM 62 OP1 DG A 3 2.355 -3.133 11.402 1.00 0.00 O ATOM 63 OP2 DG A 3 0.639 -1.581 10.312 1.00 0.00 O ATOM 64 O5' DG A 3 3.107 -1.140 10.088 1.00 0.00 O ATOM 65 C5' DG A 3 2.813 0.242 10.157 1.00 0.00 C ATOM 66 C4' DG A 3 4.017 1.073 9.694 1.00 0.00 C ATOM 67 O4' DG A 3 4.242 0.757 8.326 1.00 0.00 O ATOM 68 C3' DG A 3 3.661 2.565 9.779 1.00 0.00 C ATOM 69 O3' DG A 3 4.685 3.456 10.226 1.00 0.00 O ATOM 70 C2' DG A 3 3.128 2.855 8.390 1.00 0.00 C ATOM 71 C1' DG A 3 3.892 1.857 7.508 1.00 0.00 C ATOM 72 N9 DG A 3 3.172 1.418 6.285 1.00 0.00 N ATOM 73 C8 DG A 3 1.825 1.256 6.064 1.00 0.00 C ATOM 74 N7 DG A 3 1.515 0.967 4.831 1.00 0.00 N ATOM 75 C5 DG A 3 2.742 0.900 4.184 1.00 0.00 C ATOM 76 C6 DG A 3 3.048 0.671 2.806 1.00 0.00 C ATOM 77 O6 DG A 3 2.269 0.514 1.872 1.00 0.00 O ATOM 78 N1 DG A 3 4.417 0.662 2.557 1.00 0.00 N ATOM 79 C2 DG A 3 5.385 0.821 3.531 1.00 0.00 C ATOM 80 N2 DG A 3 6.659 0.717 3.140 1.00 0.00 N ATOM 81 N3 DG A 3 5.101 1.060 4.821 1.00 0.00 N ATOM 82 C4 DG A 3 3.765 1.110 5.079 1.00 0.00 C ATOM 0 H5' DG A 3 2.549 0.513 11.179 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.947 0.467 9.534 1.00 0.00 H new ATOM 0 H4' DG A 3 4.891 0.862 10.310 1.00 0.00 H new ATOM 0 H3' DG A 3 2.940 2.754 10.575 1.00 0.00 H new ATOM 0 H2' DG A 3 2.050 2.702 8.332 1.00 0.00 H new ATOM 0 H2'' DG A 3 3.320 3.886 8.092 1.00 0.00 H new ATOM 0 H1' DG A 3 4.773 2.364 7.113 1.00 0.00 H new ATOM 0 H8 DG A 3 1.086 1.359 6.845 1.00 0.00 H new ATOM 0 H1 DG A 3 4.726 0.530 1.594 1.00 0.00 H new ATOM 0 H21 DG A 3 7.412 0.826 3.820 1.00 0.00 H new ATOM 0 H22 DG A 3 6.878 0.529 2.162 1.00 0.00 H new ATOM 94 P DC A 4 6.132 3.717 9.527 1.00 0.00 P ATOM 95 OP1 DC A 4 6.558 2.499 8.806 1.00 0.00 O ATOM 96 OP2 DC A 4 7.015 4.240 10.592 1.00 0.00 O ATOM 97 O5' DC A 4 5.942 4.917 8.435 1.00 0.00 O ATOM 98 C5' DC A 4 7.083 5.346 7.711 1.00 0.00 C ATOM 99 C4' DC A 4 6.975 6.475 6.666 1.00 0.00 C ATOM 100 O4' DC A 4 6.174 6.129 5.552 1.00 0.00 O ATOM 101 C3' DC A 4 6.492 7.848 7.165 1.00 0.00 C ATOM 102 O3' DC A 4 7.428 8.865 6.833 1.00 0.00 O ATOM 103 C2' DC A 4 5.264 8.079 6.286 1.00 0.00 C ATOM 104 C1' DC A 4 5.708 7.348 5.017 1.00 0.00 C ATOM 105 N1 DC A 4 4.707 7.204 3.920 1.00 0.00 N ATOM 106 C2 DC A 4 5.206 6.864 2.662 1.00 0.00 C ATOM 107 O2 DC A 4 6.402 6.640 2.504 1.00 0.00 O ATOM 108 N3 DC A 4 4.345 6.785 1.611 1.00 0.00 N ATOM 109 C4 DC A 4 3.035 7.004 1.768 1.00 0.00 C ATOM 110 N4 DC A 4 2.242 6.894 0.696 1.00 0.00 N ATOM 111 C5 DC A 4 2.487 7.329 3.057 1.00 0.00 C ATOM 112 C6 DC A 4 3.358 7.415 4.094 1.00 0.00 C ATOM 0 H5' DC A 4 7.484 4.472 7.198 1.00 0.00 H new ATOM 0 H5'' DC A 4 7.829 5.657 8.443 1.00 0.00 H new ATOM 0 H4' DC A 4 8.023 6.584 6.388 1.00 0.00 H new ATOM 0 H3' DC A 4 6.332 7.872 8.243 1.00 0.00 H new ATOM 0 H2' DC A 4 4.357 7.654 6.716 1.00 0.00 H new ATOM 0 H2'' DC A 4 5.069 9.137 6.111 1.00 0.00 H new ATOM 0 H1' DC A 4 6.451 7.917 4.459 1.00 0.00 H new ATOM 0 H41 DC A 4 1.239 7.055 0.785 1.00 0.00 H new ATOM 0 H42 DC A 4 2.641 6.649 -0.210 1.00 0.00 H new ATOM 0 H5 DC A 4 1.429 7.497 3.194 1.00 0.00 H new ATOM 0 H6 DC A 4 2.984 7.655 5.079 1.00 0.00 H new ATOM 124 P DC A 5 8.799 9.123 7.647 1.00 0.00 P ATOM 125 OP1 DC A 5 9.644 10.019 6.827 1.00 0.00 O ATOM 126 OP2 DC A 5 9.358 7.821 8.081 1.00 0.00 O ATOM 127 O5' DC A 5 8.297 9.940 8.939 1.00 0.00 O ATOM 128 C5' DC A 5 7.887 11.294 8.839 1.00 0.00 C ATOM 129 C4' DC A 5 7.194 11.732 10.132 1.00 0.00 C ATOM 130 O4' DC A 5 6.068 10.910 10.372 1.00 0.00 O ATOM 131 C3' DC A 5 8.086 11.633 11.370 1.00 0.00 C ATOM 132 O3' DC A 5 8.838 12.811 11.571 1.00 0.00 O ATOM 133 C2' DC A 5 7.054 11.436 12.473 1.00 0.00 C ATOM 134 C1' DC A 5 5.869 10.766 11.768 1.00 0.00 C ATOM 135 N1 DC A 5 5.785 9.310 12.076 1.00 0.00 N ATOM 136 C2 DC A 5 4.671 8.808 12.757 1.00 0.00 C ATOM 137 O2 DC A 5 3.785 9.554 13.170 1.00 0.00 O ATOM 138 N3 DC A 5 4.580 7.459 12.951 1.00 0.00 N ATOM 139 C4 DC A 5 5.541 6.628 12.518 1.00 0.00 C ATOM 140 N4 DC A 5 5.386 5.312 12.691 1.00 0.00 N ATOM 141 C5 DC A 5 6.720 7.130 11.872 1.00 0.00 C ATOM 142 C6 DC A 5 6.790 8.464 11.673 1.00 0.00 C ATOM 0 H5' DC A 5 7.208 11.415 7.995 1.00 0.00 H new ATOM 0 H5'' DC A 5 8.751 11.930 8.647 1.00 0.00 H new ATOM 0 H4' DC A 5 6.925 12.777 9.981 1.00 0.00 H new ATOM 0 H3' DC A 5 8.834 10.842 11.312 1.00 0.00 H new ATOM 0 H2' DC A 5 7.444 10.811 13.276 1.00 0.00 H new ATOM 0 H2'' DC A 5 6.765 12.386 12.921 1.00 0.00 H new ATOM 0 HO3' DC A 5 9.394 12.711 12.372 1.00 0.00 H new ATOM 0 H1' DC A 5 4.948 11.237 12.110 1.00 0.00 H new ATOM 0 H41 DC A 5 6.107 4.667 12.368 1.00 0.00 H new ATOM 0 H42 DC A 5 4.547 4.953 13.146 1.00 0.00 H new ATOM 0 H5 DC A 5 7.516 6.470 11.559 1.00 0.00 H new ATOM 0 H6 DC A 5 7.660 8.877 11.184 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 12.364 0.004 -1.336 1.00 0.00 N ATOM 157 CA GLY B 14 12.225 -1.129 -0.406 1.00 0.00 C ATOM 158 C GLY B 14 12.790 -0.772 0.963 1.00 0.00 C ATOM 159 O GLY B 14 12.040 -0.531 1.907 1.00 0.00 O ATOM 0 HA2 GLY B 14 11.174 -1.402 -0.312 1.00 0.00 H new ATOM 0 HA3 GLY B 14 12.746 -2.000 -0.805 1.00 0.00 H new ATOM 165 N GLU B 15 14.124 -0.713 1.031 1.00 0.00 N ATOM 166 CA GLU B 15 14.911 -0.198 2.142 1.00 0.00 C ATOM 167 C GLU B 15 14.354 1.125 2.682 1.00 0.00 C ATOM 168 O GLU B 15 14.100 1.250 3.878 1.00 0.00 O ATOM 169 CB GLU B 15 16.389 -0.084 1.712 1.00 0.00 C ATOM 170 CG GLU B 15 16.736 0.941 0.609 1.00 0.00 C ATOM 171 CD GLU B 15 16.020 0.700 -0.721 1.00 0.00 C ATOM 172 OE1 GLU B 15 14.891 1.217 -0.876 1.00 0.00 O ATOM 173 OE2 GLU B 15 16.592 -0.037 -1.550 1.00 0.00 O ATOM 0 H GLU B 15 14.711 -1.044 0.265 1.00 0.00 H new ATOM 0 HA GLU B 15 14.846 -0.900 2.973 1.00 0.00 H new ATOM 0 HB2 GLU B 15 16.978 0.161 2.596 1.00 0.00 H new ATOM 0 HB3 GLU B 15 16.717 -1.067 1.373 1.00 0.00 H new ATOM 0 HG2 GLU B 15 16.487 1.940 0.966 1.00 0.00 H new ATOM 0 HG3 GLU B 15 17.812 0.923 0.438 1.00 0.00 H new ATOM 180 N ARG B 16 14.152 2.097 1.786 1.00 0.00 N ATOM 181 CA ARG B 16 13.599 3.414 2.070 1.00 0.00 C ATOM 182 C ARG B 16 13.296 4.119 0.747 1.00 0.00 C ATOM 183 O ARG B 16 12.250 4.755 0.625 1.00 0.00 O ATOM 184 CB ARG B 16 14.552 4.251 2.945 1.00 0.00 C ATOM 185 CG ARG B 16 14.036 5.677 3.209 1.00 0.00 C ATOM 186 CD ARG B 16 12.786 5.714 4.100 1.00 0.00 C ATOM 187 NE ARG B 16 12.072 6.992 3.951 1.00 0.00 N ATOM 188 CZ ARG B 16 11.462 7.700 4.919 1.00 0.00 C ATOM 189 NH1 ARG B 16 11.528 7.333 6.206 1.00 0.00 N ATOM 190 NH2 ARG B 16 10.770 8.796 4.585 1.00 0.00 N ATOM 0 H ARG B 16 14.382 1.976 0.800 1.00 0.00 H new ATOM 0 HA ARG B 16 12.676 3.299 2.638 1.00 0.00 H new ATOM 0 HB2 ARG B 16 14.701 3.743 3.898 1.00 0.00 H new ATOM 0 HB3 ARG B 16 15.526 4.308 2.459 1.00 0.00 H new ATOM 0 HG2 ARG B 16 14.827 6.261 3.680 1.00 0.00 H new ATOM 0 HG3 ARG B 16 13.809 6.156 2.257 1.00 0.00 H new ATOM 0 HD2 ARG B 16 12.123 4.890 3.837 1.00 0.00 H new ATOM 0 HD3 ARG B 16 13.073 5.573 5.142 1.00 0.00 H new ATOM 0 HE ARG B 16 12.035 7.384 3.010 1.00 0.00 H new ATOM 0 HH11 ARG B 16 12.050 6.498 6.472 1.00 0.00 H new ATOM 0 HH12 ARG B 16 11.056 7.888 6.920 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.711 9.084 3.608 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.302 9.343 5.307 1.00 0.00 H new ATOM 204 N ARG B 17 14.213 4.011 -0.227 1.00 0.00 N ATOM 205 CA ARG B 17 13.987 4.429 -1.601 1.00 0.00 C ATOM 206 C ARG B 17 15.025 3.791 -2.527 1.00 0.00 C ATOM 207 O ARG B 17 16.184 3.643 -2.146 1.00 0.00 O ATOM 208 CB ARG B 17 13.974 5.961 -1.728 1.00 0.00 C ATOM 209 CG ARG B 17 13.183 6.369 -2.976 1.00 0.00 C ATOM 210 CD ARG B 17 12.915 7.877 -3.009 1.00 0.00 C ATOM 211 NE ARG B 17 11.819 8.194 -3.936 1.00 0.00 N ATOM 212 CZ ARG B 17 10.513 8.020 -3.664 1.00 0.00 C ATOM 213 NH1 ARG B 17 10.109 7.538 -2.483 1.00 0.00 N ATOM 214 NH2 ARG B 17 9.586 8.325 -4.581 1.00 0.00 N ATOM 0 H ARG B 17 15.143 3.624 -0.070 1.00 0.00 H new ATOM 0 HA ARG B 17 13.001 4.080 -1.908 1.00 0.00 H new ATOM 0 HB2 ARG B 17 13.525 6.405 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG B 17 14.994 6.339 -1.793 1.00 0.00 H new ATOM 0 HG2 ARG B 17 13.736 6.078 -3.869 1.00 0.00 H new ATOM 0 HG3 ARG B 17 12.236 5.830 -2.999 1.00 0.00 H new ATOM 0 HD2 ARG B 17 12.663 8.228 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG B 17 13.819 8.405 -3.314 1.00 0.00 H new ATOM 0 HE ARG B 17 12.066 8.573 -4.850 1.00 0.00 H new ATOM 0 HH11 ARG B 17 10.796 7.295 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.114 7.414 -2.296 1.00 0.00 H new ATOM 0 HH21 ARG B 17 9.869 8.691 -5.490 1.00 0.00 H new ATOM 0 HH22 ARG B 17 8.597 8.191 -4.370 1.00 0.00 H new ATOM 228 N ARG B 18 14.583 3.436 -3.742 1.00 0.00 N ATOM 229 CA ARG B 18 15.360 2.885 -4.852 1.00 0.00 C ATOM 230 C ARG B 18 15.408 1.354 -4.812 1.00 0.00 C ATOM 231 O ARG B 18 16.463 0.743 -4.970 1.00 0.00 O ATOM 232 CB ARG B 18 16.746 3.545 -4.970 1.00 0.00 C ATOM 233 CG ARG B 18 17.315 3.431 -6.392 1.00 0.00 C ATOM 234 CD ARG B 18 18.768 3.915 -6.449 1.00 0.00 C ATOM 235 NE ARG B 18 18.888 5.330 -6.072 1.00 0.00 N ATOM 236 CZ ARG B 18 20.050 5.983 -5.907 1.00 0.00 C ATOM 237 NH1 ARG B 18 21.221 5.360 -6.104 1.00 0.00 N ATOM 238 NH2 ARG B 18 20.038 7.273 -5.543 1.00 0.00 N ATOM 0 H ARG B 18 13.598 3.536 -3.989 1.00 0.00 H new ATOM 0 HA ARG B 18 14.838 3.138 -5.775 1.00 0.00 H new ATOM 0 HB2 ARG B 18 16.672 4.596 -4.692 1.00 0.00 H new ATOM 0 HB3 ARG B 18 17.433 3.076 -4.265 1.00 0.00 H new ATOM 0 HG2 ARG B 18 17.261 2.395 -6.726 1.00 0.00 H new ATOM 0 HG3 ARG B 18 16.706 4.019 -7.078 1.00 0.00 H new ATOM 0 HD2 ARG B 18 19.380 3.308 -5.781 1.00 0.00 H new ATOM 0 HD3 ARG B 18 19.159 3.773 -7.457 1.00 0.00 H new ATOM 0 HE ARG B 18 18.026 5.855 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG B 18 21.236 4.379 -6.383 1.00 0.00 H new ATOM 0 HH12 ARG B 18 22.097 5.867 -5.975 1.00 0.00 H new ATOM 0 HH21 ARG B 18 19.150 7.752 -5.393 1.00 0.00 H new ATOM 0 HH22 ARG B 18 20.917 7.775 -5.416 1.00 0.00 H new ATOM 252 N SER B 19 14.224 0.754 -4.659 1.00 0.00 N ATOM 253 CA SER B 19 13.926 -0.667 -4.788 1.00 0.00 C ATOM 254 C SER B 19 12.406 -0.832 -4.694 1.00 0.00 C ATOM 255 O SER B 19 11.726 0.072 -4.212 1.00 0.00 O ATOM 256 CB SER B 19 14.648 -1.475 -3.705 1.00 0.00 C ATOM 257 OG SER B 19 14.447 -2.859 -3.900 1.00 0.00 O ATOM 0 H SER B 19 13.390 1.293 -4.424 1.00 0.00 H new ATOM 0 HA SER B 19 14.280 -1.047 -5.746 1.00 0.00 H new ATOM 0 HB2 SER B 19 15.714 -1.250 -3.726 1.00 0.00 H new ATOM 0 HB3 SER B 19 14.281 -1.184 -2.721 1.00 0.00 H new ATOM 0 HG SER B 19 14.917 -3.360 -3.200 1.00 0.00 H new ATOM 263 N GLN B 20 11.866 -1.971 -5.147 1.00 0.00 N ATOM 264 CA GLN B 20 10.426 -2.220 -5.156 1.00 0.00 C ATOM 265 C GLN B 20 9.836 -2.307 -3.747 1.00 0.00 C ATOM 266 O GLN B 20 10.568 -2.344 -2.758 1.00 0.00 O ATOM 267 CB GLN B 20 10.095 -3.482 -5.965 1.00 0.00 C ATOM 268 CG GLN B 20 10.750 -4.750 -5.399 1.00 0.00 C ATOM 269 CD GLN B 20 10.297 -5.990 -6.164 1.00 0.00 C ATOM 270 OE1 GLN B 20 9.501 -6.778 -5.659 1.00 0.00 O ATOM 271 NE2 GLN B 20 10.801 -6.167 -7.387 1.00 0.00 N ATOM 0 H GLN B 20 12.419 -2.744 -5.517 1.00 0.00 H new ATOM 0 HA GLN B 20 9.961 -1.362 -5.641 1.00 0.00 H new ATOM 0 HB2 GLN B 20 9.014 -3.618 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.421 -3.341 -6.996 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.835 -4.659 -5.456 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.494 -4.856 -4.345 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.460 -5.489 -7.770 1.00 0.00 H new ATOM 0 HE22 GLN B 20 10.528 -6.980 -7.939 1.00 0.00 H new ATOM 280 N LEU B 21 8.498 -2.352 -3.685 1.00 0.00 N ATOM 281 CA LEU B 21 7.699 -2.432 -2.474 1.00 0.00 C ATOM 282 C LEU B 21 8.193 -1.436 -1.416 1.00 0.00 C ATOM 283 O LEU B 21 8.484 -1.788 -0.273 1.00 0.00 O ATOM 284 CB LEU B 21 7.645 -3.903 -2.027 1.00 0.00 C ATOM 285 CG LEU B 21 6.231 -4.243 -1.561 1.00 0.00 C ATOM 286 CD1 LEU B 21 6.041 -5.754 -1.377 1.00 0.00 C ATOM 287 CD2 LEU B 21 5.922 -3.521 -0.251 1.00 0.00 C ATOM 0 H LEU B 21 7.923 -2.332 -4.527 1.00 0.00 H new ATOM 0 HA LEU B 21 6.670 -2.122 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.934 -4.555 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.357 -4.075 -1.219 1.00 0.00 H new ATOM 0 HG LEU B 21 5.540 -3.909 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU B 21 5.022 -5.955 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU B 21 6.220 -6.261 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU B 21 6.745 -6.121 -0.630 1.00 0.00 H new ATOM 0 HD21 LEU B 21 4.911 -3.770 0.072 1.00 0.00 H new ATOM 0 HD22 LEU B 21 6.635 -3.832 0.513 1.00 0.00 H new ATOM 0 HD23 LEU B 21 5.999 -2.444 -0.402 1.00 0.00 H new ATOM 299 N ASP B 22 8.294 -0.175 -1.845 1.00 0.00 N ATOM 300 CA ASP B 22 8.956 0.896 -1.125 1.00 0.00 C ATOM 301 C ASP B 22 8.104 1.602 -0.066 1.00 0.00 C ATOM 302 O ASP B 22 6.877 1.508 -0.041 1.00 0.00 O ATOM 303 CB ASP B 22 9.489 1.888 -2.171 1.00 0.00 C ATOM 304 CG ASP B 22 10.473 2.897 -1.594 1.00 0.00 C ATOM 305 OD1 ASP B 22 11.253 2.470 -0.716 1.00 0.00 O ATOM 306 OD2 ASP B 22 10.429 4.064 -2.037 1.00 0.00 O ATOM 0 H ASP B 22 7.901 0.130 -2.735 1.00 0.00 H new ATOM 0 HA ASP B 22 9.760 0.452 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP B 22 9.976 1.333 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP B 22 8.650 2.422 -2.616 1.00 0.00 H new ATOM 311 N ARG B 23 8.814 2.339 0.797 1.00 0.00 N ATOM 312 CA ARG B 23 8.316 3.290 1.777 1.00 0.00 C ATOM 313 C ARG B 23 7.953 4.567 1.027 1.00 0.00 C ATOM 314 O ARG B 23 8.647 5.580 1.098 1.00 0.00 O ATOM 315 CB ARG B 23 9.422 3.468 2.814 1.00 0.00 C ATOM 316 CG ARG B 23 9.034 4.385 3.978 1.00 0.00 C ATOM 317 CD ARG B 23 9.439 3.706 5.292 1.00 0.00 C ATOM 318 NE ARG B 23 9.807 4.665 6.343 1.00 0.00 N ATOM 319 CZ ARG B 23 10.171 4.317 7.590 1.00 0.00 C ATOM 320 NH1 ARG B 23 10.276 3.026 7.937 1.00 0.00 N ATOM 321 NH2 ARG B 23 10.415 5.265 8.504 1.00 0.00 N ATOM 0 H ARG B 23 9.832 2.275 0.824 1.00 0.00 H new ATOM 0 HA ARG B 23 7.419 2.965 2.304 1.00 0.00 H new ATOM 0 HB2 ARG B 23 9.697 2.490 3.210 1.00 0.00 H new ATOM 0 HB3 ARG B 23 10.306 3.874 2.323 1.00 0.00 H new ATOM 0 HG2 ARG B 23 9.532 5.350 3.882 1.00 0.00 H new ATOM 0 HG3 ARG B 23 7.961 4.577 3.967 1.00 0.00 H new ATOM 0 HD2 ARG B 23 8.614 3.088 5.645 1.00 0.00 H new ATOM 0 HD3 ARG B 23 10.280 3.039 5.106 1.00 0.00 H new ATOM 0 HE ARG B 23 9.785 5.658 6.112 1.00 0.00 H new ATOM 0 HH11 ARG B 23 10.079 2.296 7.252 1.00 0.00 H new ATOM 0 HH12 ARG B 23 10.553 2.774 8.886 1.00 0.00 H new ATOM 0 HH21 ARG B 23 10.325 6.250 8.254 1.00 0.00 H new ATOM 0 HH22 ARG B 23 10.691 5.002 9.450 1.00 0.00 H new ATOM 335 N ASP B 24 6.850 4.447 0.282 1.00 0.00 N ATOM 336 CA ASP B 24 6.354 5.360 -0.725 1.00 0.00 C ATOM 337 C ASP B 24 5.047 4.794 -1.305 1.00 0.00 C ATOM 338 O ASP B 24 4.021 5.474 -1.315 1.00 0.00 O ATOM 339 CB ASP B 24 7.430 5.376 -1.807 1.00 0.00 C ATOM 340 CG ASP B 24 7.032 6.144 -3.061 1.00 0.00 C ATOM 341 OD1 ASP B 24 6.428 5.514 -3.955 1.00 0.00 O ATOM 342 OD2 ASP B 24 7.361 7.350 -3.114 1.00 0.00 O ATOM 0 H ASP B 24 6.238 3.638 0.385 1.00 0.00 H new ATOM 0 HA ASP B 24 6.154 6.357 -0.332 1.00 0.00 H new ATOM 0 HB2 ASP B 24 8.338 5.816 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.670 4.349 -2.082 1.00 0.00 H new ATOM 347 N GLN B 25 5.112 3.548 -1.808 1.00 0.00 N ATOM 348 CA GLN B 25 4.077 2.884 -2.597 1.00 0.00 C ATOM 349 C GLN B 25 3.295 1.851 -1.784 1.00 0.00 C ATOM 350 O GLN B 25 3.704 1.457 -0.691 1.00 0.00 O ATOM 351 CB GLN B 25 4.712 2.197 -3.819 1.00 0.00 C ATOM 352 CG GLN B 25 5.668 1.064 -3.412 1.00 0.00 C ATOM 353 CD GLN B 25 6.152 0.231 -4.596 1.00 0.00 C ATOM 354 OE1 GLN B 25 7.338 0.238 -4.916 1.00 0.00 O ATOM 355 NE2 GLN B 25 5.246 -0.525 -5.223 1.00 0.00 N ATOM 0 H GLN B 25 5.929 2.955 -1.664 1.00 0.00 H new ATOM 0 HA GLN B 25 3.374 3.653 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN B 25 3.926 1.795 -4.458 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.256 2.936 -4.408 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.530 1.491 -2.900 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.165 0.411 -2.699 1.00 0.00 H new ATOM 0 HE21 GLN B 25 4.270 -0.503 -4.927 1.00 0.00 H new ATOM 0 HE22 GLN B 25 5.530 -1.125 -5.998 1.00 0.00 H new ATOM 364 N CYS B 26 2.188 1.380 -2.370 1.00 0.00 N ATOM 365 CA CYS B 26 1.350 0.330 -1.817 1.00 0.00 C ATOM 366 C CYS B 26 2.107 -0.991 -1.703 1.00 0.00 C ATOM 367 O CYS B 26 3.021 -1.269 -2.478 1.00 0.00 O ATOM 368 CB CYS B 26 0.087 0.183 -2.666 1.00 0.00 C ATOM 369 SG CYS B 26 -1.111 -0.994 -1.995 1.00 0.00 S ATOM 0 H CYS B 26 1.849 1.733 -3.265 1.00 0.00 H new ATOM 0 HA CYS B 26 1.060 0.611 -0.804 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -0.390 1.158 -2.762 1.00 0.00 H new ATOM 0 HB3 CYS B 26 0.370 -0.134 -3.670 1.00 0.00 H new ATOM 374 N ALA B 27 1.720 -1.790 -0.705 1.00 0.00 N ATOM 375 CA ALA B 27 2.379 -3.035 -0.340 1.00 0.00 C ATOM 376 C ALA B 27 1.628 -4.283 -0.805 1.00 0.00 C ATOM 377 O ALA B 27 2.138 -5.393 -0.664 1.00 0.00 O ATOM 378 CB ALA B 27 2.520 -3.069 1.181 1.00 0.00 C ATOM 0 H ALA B 27 0.916 -1.577 -0.115 1.00 0.00 H new ATOM 0 HA ALA B 27 3.347 -3.054 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.012 -3.994 1.480 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.116 -2.218 1.510 1.00 0.00 H new ATOM 0 HB3 ALA B 27 1.532 -3.019 1.639 1.00 0.00 H new ATOM 384 N TYR B 28 0.416 -4.111 -1.336 1.00 0.00 N ATOM 385 CA TYR B 28 -0.531 -5.166 -1.638 1.00 0.00 C ATOM 386 C TYR B 28 -0.609 -5.311 -3.147 1.00 0.00 C ATOM 387 O TYR B 28 -0.450 -6.401 -3.693 1.00 0.00 O ATOM 388 CB TYR B 28 -1.878 -4.726 -1.050 1.00 0.00 C ATOM 389 CG TYR B 28 -2.964 -5.783 -1.005 1.00 0.00 C ATOM 390 CD1 TYR B 28 -2.837 -6.892 -0.148 1.00 0.00 C ATOM 391 CD2 TYR B 28 -4.123 -5.638 -1.789 1.00 0.00 C ATOM 392 CE1 TYR B 28 -3.897 -7.805 -0.016 1.00 0.00 C ATOM 393 CE2 TYR B 28 -5.179 -6.556 -1.664 1.00 0.00 C ATOM 394 CZ TYR B 28 -5.075 -7.629 -0.764 1.00 0.00 C ATOM 395 OH TYR B 28 -6.119 -8.494 -0.616 1.00 0.00 O ATOM 0 H TYR B 28 0.059 -3.186 -1.575 1.00 0.00 H new ATOM 0 HA TYR B 28 -0.242 -6.129 -1.216 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.708 -4.366 -0.035 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -2.246 -3.881 -1.631 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -1.924 -7.042 0.409 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -4.201 -4.819 -2.489 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -3.807 -8.642 0.660 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -6.071 -6.436 -2.260 1.00 0.00 H new ATOM 0 HH TYR B 28 -6.853 -8.225 -1.207 1.00 0.00 H new ATOM 405 N CYS B 29 -0.836 -4.168 -3.793 1.00 0.00 N ATOM 406 CA CYS B 29 -1.157 -4.016 -5.187 1.00 0.00 C ATOM 407 C CYS B 29 -0.148 -3.111 -5.905 1.00 0.00 C ATOM 408 O CYS B 29 -0.060 -3.153 -7.131 1.00 0.00 O ATOM 409 CB CYS B 29 -2.584 -3.477 -5.245 1.00 0.00 C ATOM 410 SG CYS B 29 -2.813 -1.686 -5.270 1.00 0.00 S ATOM 0 H CYS B 29 -0.794 -3.270 -3.311 1.00 0.00 H new ATOM 0 HA CYS B 29 -1.096 -4.968 -5.713 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -3.060 -3.887 -6.136 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -3.125 -3.871 -4.385 1.00 0.00 H new ATOM 415 N LYS B 30 0.638 -2.333 -5.141 1.00 0.00 N ATOM 416 CA LYS B 30 1.739 -1.509 -5.634 1.00 0.00 C ATOM 417 C LYS B 30 1.240 -0.478 -6.658 1.00 0.00 C ATOM 418 O LYS B 30 1.866 -0.261 -7.695 1.00 0.00 O ATOM 419 CB LYS B 30 2.896 -2.378 -6.163 1.00 0.00 C ATOM 420 CG LYS B 30 3.566 -3.335 -5.157 1.00 0.00 C ATOM 421 CD LYS B 30 2.610 -4.379 -4.562 1.00 0.00 C ATOM 422 CE LYS B 30 3.345 -5.641 -4.104 1.00 0.00 C ATOM 423 NZ LYS B 30 2.457 -6.546 -3.350 1.00 0.00 N ATOM 0 H LYS B 30 0.515 -2.263 -4.131 1.00 0.00 H new ATOM 0 HA LYS B 30 2.146 -0.941 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS B 30 2.521 -2.971 -6.997 1.00 0.00 H new ATOM 0 HB3 LYS B 30 3.663 -1.715 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS B 30 4.389 -3.850 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS B 30 3.999 -2.749 -4.346 1.00 0.00 H new ATOM 0 HD2 LYS B 30 2.079 -3.943 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.859 -4.647 -5.305 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.746 -6.164 -4.972 1.00 0.00 H new ATOM 0 HE3 LYS B 30 4.194 -5.362 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.842 -7.512 -3.377 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.393 -6.226 -2.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.509 -6.539 -3.778 1.00 0.00 H new ATOM 437 N GLU B 31 0.104 0.157 -6.346 1.00 0.00 N ATOM 438 CA GLU B 31 -0.571 1.133 -7.195 1.00 0.00 C ATOM 439 C GLU B 31 0.191 2.451 -7.341 1.00 0.00 C ATOM 440 O GLU B 31 1.210 2.690 -6.694 1.00 0.00 O ATOM 441 CB GLU B 31 -1.993 1.402 -6.668 1.00 0.00 C ATOM 442 CG GLU B 31 -3.059 0.861 -7.627 1.00 0.00 C ATOM 443 CD GLU B 31 -3.298 1.769 -8.823 1.00 0.00 C ATOM 444 OE1 GLU B 31 -2.407 1.806 -9.696 1.00 0.00 O ATOM 445 OE2 GLU B 31 -4.369 2.414 -8.839 1.00 0.00 O ATOM 0 H GLU B 31 -0.383 -0.003 -5.464 1.00 0.00 H new ATOM 0 HA GLU B 31 -0.616 0.691 -8.191 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -2.113 0.938 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -2.135 2.474 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.755 -0.124 -7.981 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -3.995 0.730 -7.084 1.00 0.00 H new ATOM 452 N LYS B 32 -0.369 3.303 -8.206 1.00 0.00 N ATOM 453 CA LYS B 32 0.118 4.614 -8.606 1.00 0.00 C ATOM 454 C LYS B 32 0.499 5.501 -7.418 1.00 0.00 C ATOM 455 O LYS B 32 1.651 5.920 -7.321 1.00 0.00 O ATOM 456 CB LYS B 32 -0.976 5.307 -9.429 1.00 0.00 C ATOM 457 CG LYS B 32 -1.278 4.585 -10.753 1.00 0.00 C ATOM 458 CD LYS B 32 -2.785 4.521 -11.052 1.00 0.00 C ATOM 459 CE LYS B 32 -3.334 5.798 -11.701 1.00 0.00 C ATOM 460 NZ LYS B 32 -3.278 6.958 -10.794 1.00 0.00 N ATOM 0 H LYS B 32 -1.243 3.069 -8.678 1.00 0.00 H new ATOM 0 HA LYS B 32 1.026 4.466 -9.191 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.889 5.364 -8.836 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -0.670 6.331 -9.641 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -0.769 5.099 -11.569 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -0.874 3.573 -10.713 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -2.981 3.675 -11.710 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.324 4.334 -10.123 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -2.763 6.018 -12.603 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.366 5.631 -12.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -3.878 7.720 -11.168 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -3.619 6.679 -9.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -2.297 7.294 -10.721 1.00 0.00 H new ATOM 474 N GLY B 33 -0.470 5.831 -6.551 1.00 0.00 N ATOM 475 CA GLY B 33 -0.277 6.843 -5.522 1.00 0.00 C ATOM 476 C GLY B 33 -1.176 6.654 -4.303 1.00 0.00 C ATOM 477 O GLY B 33 -1.931 7.556 -3.945 1.00 0.00 O ATOM 0 H GLY B 33 -1.397 5.405 -6.549 1.00 0.00 H new ATOM 0 HA2 GLY B 33 0.764 6.829 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -0.464 7.827 -5.952 1.00 0.00 H new ATOM 481 N HIS B 34 -1.068 5.491 -3.655 1.00 0.00 N ATOM 482 CA HIS B 34 -1.652 5.224 -2.345 1.00 0.00 C ATOM 483 C HIS B 34 -0.754 4.211 -1.625 1.00 0.00 C ATOM 484 O HIS B 34 0.286 3.817 -2.155 1.00 0.00 O ATOM 485 CB HIS B 34 -3.139 4.822 -2.428 1.00 0.00 C ATOM 486 CG HIS B 34 -3.426 3.447 -2.977 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.325 3.176 -3.984 1.00 0.00 N ATOM 488 CD2 HIS B 34 -2.958 2.213 -2.624 1.00 0.00 C ATOM 489 CE1 HIS B 34 -4.263 1.850 -4.190 1.00 0.00 C ATOM 490 NE2 HIS B 34 -3.462 1.156 -3.367 1.00 0.00 N ATOM 0 H HIS B 34 -0.560 4.694 -4.038 1.00 0.00 H new ATOM 0 HA HIS B 34 -1.679 6.136 -1.749 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -3.568 4.889 -1.428 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -3.658 5.554 -3.047 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.918 3.846 -4.474 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -2.247 2.071 -1.824 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.827 1.369 -4.975 1.00 0.00 H new ATOM 498 N TRP B 35 -1.151 3.802 -0.417 1.00 0.00 N ATOM 499 CA TRP B 35 -0.377 2.933 0.459 1.00 0.00 C ATOM 500 C TRP B 35 -1.184 1.694 0.861 1.00 0.00 C ATOM 501 O TRP B 35 -2.369 1.603 0.555 1.00 0.00 O ATOM 502 CB TRP B 35 0.065 3.772 1.663 1.00 0.00 C ATOM 503 CG TRP B 35 1.525 3.818 1.978 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.561 3.691 1.121 1.00 0.00 C ATOM 505 CD2 TRP B 35 2.121 4.047 3.277 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.754 3.726 1.814 1.00 0.00 N ATOM 507 CE2 TRP B 35 3.537 3.951 3.157 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.590 4.362 4.541 1.00 0.00 C ATOM 509 CZ2 TRP B 35 4.387 4.103 4.262 1.00 0.00 C ATOM 510 CZ3 TRP B 35 2.428 4.551 5.644 1.00 0.00 C ATOM 511 CH2 TRP B 35 3.820 4.410 5.508 1.00 0.00 C ATOM 0 H TRP B 35 -2.047 4.077 -0.014 1.00 0.00 H new ATOM 0 HA TRP B 35 0.505 2.548 -0.053 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -0.276 4.795 1.503 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -0.457 3.396 2.543 1.00 0.00 H new ATOM 0 HD1 TRP B 35 2.469 3.579 0.051 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.673 3.602 1.390 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.521 4.459 4.661 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 5.455 3.986 4.156 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 2.004 4.806 6.604 1.00 0.00 H new ATOM 0 HH2 TRP B 35 4.458 4.539 6.370 1.00 0.00 H new ATOM 522 N ALA B 36 -0.550 0.739 1.554 1.00 0.00 N ATOM 523 CA ALA B 36 -1.202 -0.478 2.037 1.00 0.00 C ATOM 524 C ALA B 36 -2.243 -0.064 3.066 1.00 0.00 C ATOM 525 O ALA B 36 -3.369 -0.557 3.085 1.00 0.00 O ATOM 526 CB ALA B 36 -0.159 -1.417 2.651 1.00 0.00 C ATOM 0 H ALA B 36 0.439 0.793 1.796 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.685 -1.015 1.221 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -0.650 -2.322 3.009 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.582 -1.681 1.896 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.334 -0.918 3.485 1.00 0.00 H new ATOM 532 N LYS B 37 -1.829 0.921 3.866 1.00 0.00 N ATOM 533 CA LYS B 37 -2.601 1.697 4.801 1.00 0.00 C ATOM 534 C LYS B 37 -3.945 2.149 4.212 1.00 0.00 C ATOM 535 O LYS B 37 -4.939 2.221 4.933 1.00 0.00 O ATOM 536 CB LYS B 37 -1.710 2.892 5.148 1.00 0.00 C ATOM 537 CG LYS B 37 -2.210 3.628 6.373 1.00 0.00 C ATOM 538 CD LYS B 37 -1.221 4.733 6.760 1.00 0.00 C ATOM 539 CE LYS B 37 -1.741 5.622 7.886 1.00 0.00 C ATOM 540 NZ LYS B 37 -2.011 4.861 9.118 1.00 0.00 N ATOM 0 H LYS B 37 -0.851 1.212 3.865 1.00 0.00 H new ATOM 0 HA LYS B 37 -2.866 1.112 5.681 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.691 2.547 5.322 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -1.675 3.577 4.301 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -3.191 4.060 6.173 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.332 2.931 7.202 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -0.278 4.280 7.067 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -1.010 5.348 5.885 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -1.010 6.403 8.096 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -2.655 6.120 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -2.281 5.517 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -2.787 4.189 8.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -1.156 4.339 9.398 1.00 0.00 H new ATOM 554 N ASP B 38 -3.951 2.472 2.912 1.00 0.00 N ATOM 555 CA ASP B 38 -5.047 3.118 2.203 1.00 0.00 C ATOM 556 C ASP B 38 -5.560 2.289 1.010 1.00 0.00 C ATOM 557 O ASP B 38 -6.359 2.794 0.223 1.00 0.00 O ATOM 558 CB ASP B 38 -4.515 4.475 1.718 1.00 0.00 C ATOM 559 CG ASP B 38 -5.615 5.413 1.225 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.524 5.707 2.033 1.00 0.00 O ATOM 561 OD2 ASP B 38 -5.532 5.820 0.046 1.00 0.00 O ATOM 0 H ASP B 38 -3.154 2.279 2.305 1.00 0.00 H new ATOM 0 HA ASP B 38 -5.899 3.227 2.874 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -3.973 4.957 2.532 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -3.799 4.310 0.913 1.00 0.00 H new ATOM 566 N CYS B 39 -5.123 1.033 0.839 1.00 0.00 N ATOM 567 CA CYS B 39 -5.396 0.294 -0.387 1.00 0.00 C ATOM 568 C CYS B 39 -6.891 -0.030 -0.533 1.00 0.00 C ATOM 569 O CYS B 39 -7.486 -0.575 0.395 1.00 0.00 O ATOM 570 CB CYS B 39 -4.548 -0.974 -0.441 1.00 0.00 C ATOM 571 SG CYS B 39 -4.661 -1.888 -2.007 1.00 0.00 S ATOM 0 H CYS B 39 -4.583 0.516 1.533 1.00 0.00 H new ATOM 0 HA CYS B 39 -5.123 0.928 -1.230 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -3.506 -0.707 -0.265 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -4.850 -1.633 0.373 1.00 0.00 H new ATOM 576 N PRO B 40 -7.509 0.294 -1.680 1.00 0.00 N ATOM 577 CA PRO B 40 -8.912 0.066 -1.956 1.00 0.00 C ATOM 578 C PRO B 40 -9.167 -1.390 -2.350 1.00 0.00 C ATOM 579 O PRO B 40 -10.272 -1.892 -2.153 1.00 0.00 O ATOM 580 CB PRO B 40 -9.231 1.039 -3.082 1.00 0.00 C ATOM 581 CG PRO B 40 -7.959 1.037 -3.917 1.00 0.00 C ATOM 582 CD PRO B 40 -6.883 0.882 -2.848 1.00 0.00 C ATOM 0 HA PRO B 40 -9.550 0.233 -1.088 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -10.094 0.713 -3.663 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -9.460 2.034 -2.701 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -7.943 0.217 -4.635 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -7.841 1.960 -4.485 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -6.073 0.248 -3.209 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -6.445 1.849 -2.602 1.00 0.00 H new ATOM 590 N LYS B 41 -8.148 -2.071 -2.892 1.00 0.00 N ATOM 591 CA LYS B 41 -8.223 -3.487 -3.217 1.00 0.00 C ATOM 592 C LYS B 41 -8.242 -4.313 -1.933 1.00 0.00 C ATOM 593 O LYS B 41 -8.954 -5.311 -1.845 1.00 0.00 O ATOM 594 CB LYS B 41 -7.053 -3.906 -4.114 1.00 0.00 C ATOM 595 CG LYS B 41 -6.911 -3.008 -5.349 1.00 0.00 C ATOM 596 CD LYS B 41 -6.185 -3.774 -6.456 1.00 0.00 C ATOM 597 CE LYS B 41 -6.043 -2.952 -7.742 1.00 0.00 C ATOM 598 NZ LYS B 41 -5.044 -1.878 -7.610 1.00 0.00 N ATOM 0 H LYS B 41 -7.248 -1.646 -3.115 1.00 0.00 H new ATOM 0 HA LYS B 41 -9.146 -3.670 -3.768 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -6.128 -3.875 -3.538 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -7.195 -4.938 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -7.894 -2.691 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -6.357 -2.105 -5.093 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -5.196 -4.065 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -6.729 -4.693 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -5.759 -3.611 -8.562 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -7.008 -2.518 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -4.448 -1.852 -8.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -5.529 -0.965 -7.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -4.449 -2.058 -6.777 1.00 0.00 H new ATOM 612 N LYS B 42 -7.466 -3.876 -0.936 1.00 0.00 N ATOM 613 CA LYS B 42 -7.470 -4.461 0.391 1.00 0.00 C ATOM 614 C LYS B 42 -8.841 -4.198 1.031 1.00 0.00 C ATOM 615 O LYS B 42 -9.343 -3.080 0.923 1.00 0.00 O ATOM 616 CB LYS B 42 -6.329 -3.850 1.215 1.00 0.00 C ATOM 617 CG LYS B 42 -6.119 -4.548 2.565 1.00 0.00 C ATOM 618 CD LYS B 42 -5.090 -3.820 3.444 1.00 0.00 C ATOM 619 CE LYS B 42 -3.711 -3.645 2.797 1.00 0.00 C ATOM 620 NZ LYS B 42 -3.137 -4.924 2.354 1.00 0.00 N ATOM 0 H LYS B 42 -6.814 -3.098 -1.038 1.00 0.00 H new ATOM 0 HA LYS B 42 -7.308 -5.538 0.348 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -5.405 -3.901 0.639 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.539 -2.794 1.388 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -7.070 -4.605 3.094 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -5.788 -5.572 2.394 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -5.483 -2.837 3.703 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -4.972 -4.372 4.376 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -3.795 -2.972 1.944 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -3.035 -3.173 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -2.191 -4.760 1.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -3.063 -5.571 3.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -3.751 -5.347 1.629 1.00 0.00 H new ATOM 634 N PRO B 43 -9.468 -5.198 1.675 1.00 0.00 N ATOM 635 CA PRO B 43 -10.794 -5.060 2.259 1.00 0.00 C ATOM 636 C PRO B 43 -10.756 -4.173 3.509 1.00 0.00 C ATOM 637 O PRO B 43 -10.628 -4.665 4.630 1.00 0.00 O ATOM 638 CB PRO B 43 -11.258 -6.491 2.556 1.00 0.00 C ATOM 639 CG PRO B 43 -9.948 -7.244 2.782 1.00 0.00 C ATOM 640 CD PRO B 43 -8.999 -6.570 1.794 1.00 0.00 C ATOM 0 HA PRO B 43 -11.494 -4.563 1.587 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -11.902 -6.531 3.434 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -11.825 -6.911 1.725 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -9.598 -7.148 3.810 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -10.053 -8.310 2.579 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -7.971 -6.603 2.154 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -9.015 -7.075 0.828 1.00 0.00 H new ATOM 648 N ARG B 44 -10.899 -2.857 3.306 1.00 0.00 N ATOM 649 CA ARG B 44 -11.019 -1.862 4.364 1.00 0.00 C ATOM 650 C ARG B 44 -12.448 -1.884 4.915 1.00 0.00 C ATOM 651 O ARG B 44 -13.211 -0.938 4.722 1.00 0.00 O ATOM 652 CB ARG B 44 -10.649 -0.475 3.814 1.00 0.00 C ATOM 653 CG ARG B 44 -9.160 -0.378 3.457 1.00 0.00 C ATOM 654 CD ARG B 44 -8.836 0.945 2.755 1.00 0.00 C ATOM 655 NE ARG B 44 -9.090 2.111 3.612 1.00 0.00 N ATOM 656 CZ ARG B 44 -8.808 3.377 3.263 1.00 0.00 C ATOM 657 NH1 ARG B 44 -8.394 3.669 2.024 1.00 0.00 N ATOM 658 NH2 ARG B 44 -8.924 4.361 4.163 1.00 0.00 N ATOM 0 H ARG B 44 -10.935 -2.450 2.372 1.00 0.00 H new ATOM 0 HA ARG B 44 -10.333 -2.093 5.179 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -11.249 -0.264 2.929 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -10.895 0.286 4.554 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -8.561 -0.466 4.363 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -8.885 -1.211 2.810 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -7.790 0.944 2.449 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -9.434 1.027 1.847 1.00 0.00 H new ATOM 0 HE ARG B 44 -9.506 1.949 4.529 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -8.290 2.926 1.333 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -8.183 4.634 1.771 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -9.227 4.149 5.114 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -8.710 5.322 3.898 1.00 0.00 H new ATOM 672 N GLY B 45 -12.808 -2.977 5.596 1.00 0.00 N ATOM 673 CA GLY B 45 -14.129 -3.171 6.170 1.00 0.00 C ATOM 674 C GLY B 45 -14.288 -2.417 7.495 1.00 0.00 C ATOM 675 O GLY B 45 -13.375 -1.709 7.923 1.00 0.00 O ATOM 0 H GLY B 45 -12.175 -3.759 5.762 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -14.886 -2.830 5.464 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -14.302 -4.235 6.334 1.00 0.00 H new ATOM 679 N PRO B 46 -15.443 -2.570 8.161 1.00 0.00 N ATOM 680 CA PRO B 46 -15.717 -1.969 9.455 1.00 0.00 C ATOM 681 C PRO B 46 -14.840 -2.623 10.527 1.00 0.00 C ATOM 682 O PRO B 46 -15.073 -3.772 10.904 1.00 0.00 O ATOM 683 CB PRO B 46 -17.214 -2.186 9.696 1.00 0.00 C ATOM 684 CG PRO B 46 -17.541 -3.433 8.875 1.00 0.00 C ATOM 685 CD PRO B 46 -16.587 -3.331 7.687 1.00 0.00 C ATOM 0 HA PRO B 46 -15.483 -0.905 9.491 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -17.431 -2.336 10.754 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -17.800 -1.327 9.369 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -17.375 -4.346 9.447 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -18.583 -3.442 8.555 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -16.283 -4.320 7.343 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -17.065 -2.833 6.843 1.00 0.00 H new ATOM 693 N ARG B 47 -13.831 -1.877 10.998 1.00 0.00 N ATOM 694 CA ARG B 47 -12.817 -2.282 11.968 1.00 0.00 C ATOM 695 C ARG B 47 -11.854 -3.303 11.357 1.00 0.00 C ATOM 696 O ARG B 47 -10.707 -2.968 11.066 1.00 0.00 O ATOM 697 CB ARG B 47 -13.427 -2.760 13.297 1.00 0.00 C ATOM 698 CG ARG B 47 -14.318 -1.682 13.930 1.00 0.00 C ATOM 699 CD ARG B 47 -14.834 -2.114 15.307 1.00 0.00 C ATOM 700 NE ARG B 47 -13.742 -2.229 16.283 1.00 0.00 N ATOM 701 CZ ARG B 47 -13.894 -2.596 17.567 1.00 0.00 C ATOM 702 NH1 ARG B 47 -15.107 -2.892 18.056 1.00 0.00 N ATOM 703 NH2 ARG B 47 -12.821 -2.667 18.367 1.00 0.00 N ATOM 0 H ARG B 47 -13.697 -0.914 10.689 1.00 0.00 H new ATOM 0 HA ARG B 47 -12.233 -1.397 12.220 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -14.013 -3.663 13.125 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -12.629 -3.026 13.990 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -13.754 -0.754 14.027 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -15.163 -1.475 13.273 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -15.567 -1.391 15.664 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -15.347 -3.072 15.220 1.00 0.00 H new ATOM 0 HE ARG B 47 -12.798 -2.014 15.962 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -15.927 -2.840 17.452 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -15.210 -3.169 19.032 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -11.896 -2.443 18.000 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -12.930 -2.945 19.342 1.00 0.00 H new ATOM 717 N GLY B 48 -12.322 -4.540 11.157 1.00 0.00 N ATOM 718 CA GLY B 48 -11.587 -5.589 10.464 1.00 0.00 C ATOM 719 C GLY B 48 -11.973 -5.596 8.983 1.00 0.00 C ATOM 720 O GLY B 48 -12.533 -4.618 8.491 1.00 0.00 O ATOM 0 H GLY B 48 -13.241 -4.840 11.481 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -10.514 -5.426 10.570 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -11.808 -6.558 10.912 1.00 0.00 H new ATOM 724 N PRO B 49 -11.740 -6.707 8.267 1.00 0.00 N ATOM 725 CA PRO B 49 -12.205 -6.921 6.909 1.00 0.00 C ATOM 726 C PRO B 49 -13.543 -7.658 7.020 1.00 0.00 C ATOM 727 O PRO B 49 -13.808 -8.609 6.287 1.00 0.00 O ATOM 728 CB PRO B 49 -11.114 -7.819 6.328 1.00 0.00 C ATOM 729 CG PRO B 49 -10.787 -8.753 7.500 1.00 0.00 C ATOM 730 CD PRO B 49 -11.151 -7.941 8.751 1.00 0.00 C ATOM 0 HA PRO B 49 -12.361 -6.029 6.302 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -11.465 -8.371 5.456 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -10.243 -7.245 6.012 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -11.363 -9.676 7.444 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -9.734 -9.034 7.502 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -11.853 -8.488 9.381 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -10.268 -7.741 9.357 1.00 0.00 H new ATOM 738 N ARG B 50 -14.365 -7.240 7.991 1.00 0.00 N ATOM 739 CA ARG B 50 -15.541 -7.972 8.401 1.00 0.00 C ATOM 740 C ARG B 50 -16.640 -7.864 7.339 1.00 0.00 C ATOM 741 O ARG B 50 -16.936 -6.756 6.897 1.00 0.00 O ATOM 742 CB ARG B 50 -16.029 -7.429 9.751 1.00 0.00 C ATOM 743 CG ARG B 50 -15.093 -7.865 10.887 1.00 0.00 C ATOM 744 CD ARG B 50 -15.374 -7.118 12.195 1.00 0.00 C ATOM 745 NE ARG B 50 -16.789 -7.211 12.591 1.00 0.00 N ATOM 746 CZ ARG B 50 -17.691 -6.211 12.596 1.00 0.00 C ATOM 747 NH1 ARG B 50 -17.375 -4.969 12.200 1.00 0.00 N ATOM 748 NH2 ARG B 50 -18.941 -6.463 13.005 1.00 0.00 N ATOM 0 H ARG B 50 -14.219 -6.375 8.511 1.00 0.00 H new ATOM 0 HA ARG B 50 -15.290 -9.027 8.511 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -16.079 -6.341 9.713 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -17.039 -7.788 9.948 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -15.203 -8.937 11.053 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -14.059 -7.693 10.588 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -14.748 -7.528 12.988 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -15.098 -6.070 12.080 1.00 0.00 H new ATOM 0 HE ARG B 50 -17.120 -8.127 12.893 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -16.428 -4.760 11.883 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -18.081 -4.233 12.216 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -19.199 -7.402 13.307 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -19.635 -5.716 13.014 1.00 0.00 H new ATOM 762 N PRO B 51 -17.267 -8.981 6.934 1.00 0.00 N ATOM 763 CA PRO B 51 -18.367 -8.965 5.982 1.00 0.00 C ATOM 764 C PRO B 51 -19.601 -8.305 6.606 1.00 0.00 C ATOM 765 O PRO B 51 -20.231 -7.459 5.975 1.00 0.00 O ATOM 766 CB PRO B 51 -18.607 -10.431 5.610 1.00 0.00 C ATOM 767 CG PRO B 51 -18.121 -11.207 6.834 1.00 0.00 C ATOM 768 CD PRO B 51 -16.989 -10.336 7.382 1.00 0.00 C ATOM 0 HA PRO B 51 -18.143 -8.380 5.090 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -19.660 -10.624 5.407 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -18.053 -10.711 4.714 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -18.917 -11.340 7.567 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -17.767 -12.202 6.564 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -16.951 -10.386 8.470 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -16.022 -10.677 7.013 1.00 0.00 H new ATOM 776 N GLN B 52 -19.924 -8.684 7.850 1.00 0.00 N ATOM 777 CA GLN B 52 -21.039 -8.157 8.627 1.00 0.00 C ATOM 778 C GLN B 52 -22.366 -8.331 7.873 1.00 0.00 C ATOM 779 O GLN B 52 -23.162 -7.400 7.773 1.00 0.00 O ATOM 780 CB GLN B 52 -20.745 -6.705 9.040 1.00 0.00 C ATOM 781 CG GLN B 52 -21.571 -6.287 10.265 1.00 0.00 C ATOM 782 CD GLN B 52 -21.395 -4.809 10.609 1.00 0.00 C ATOM 783 OE1 GLN B 52 -22.374 -4.088 10.778 1.00 0.00 O ATOM 784 NE2 GLN B 52 -20.148 -4.348 10.725 1.00 0.00 N ATOM 0 H GLN B 52 -19.392 -9.393 8.356 1.00 0.00 H new ATOM 0 HA GLN B 52 -21.151 -8.729 9.548 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -19.683 -6.597 9.262 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -20.965 -6.038 8.207 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -22.625 -6.490 10.076 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -21.278 -6.894 11.122 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -19.357 -4.975 10.578 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -19.986 -3.369 10.961 1.00 0.00 H new ATOM 793 N THR B 53 -22.590 -9.539 7.344 1.00 0.00 N ATOM 794 CA THR B 53 -23.790 -9.922 6.615 1.00 0.00 C ATOM 795 C THR B 53 -23.845 -11.450 6.546 1.00 0.00 C ATOM 796 O THR B 53 -22.752 -12.060 6.505 1.00 0.00 O ATOM 797 CB THR B 53 -23.818 -9.260 5.224 1.00 0.00 C ATOM 798 OG1 THR B 53 -25.046 -9.532 4.581 1.00 0.00 O ATOM 799 CG2 THR B 53 -22.668 -9.710 4.315 1.00 0.00 C ATOM 800 OXT THR B 53 -24.975 -11.986 6.555 1.00 0.00 O ATOM 0 H THR B 53 -21.913 -10.299 7.418 1.00 0.00 H new ATOM 0 HA THR B 53 -24.682 -9.568 7.132 1.00 0.00 H new ATOM 0 HB THR B 53 -23.700 -8.190 5.394 1.00 0.00 H new ATOM 0 HG1 THR B 53 -25.055 -9.106 3.699 1.00 0.00 H new ATOM 0 HG21 THR B 53 -22.747 -9.206 3.352 1.00 0.00 H new ATOM 0 HG22 THR B 53 -21.716 -9.456 4.780 1.00 0.00 H new ATOM 0 HG23 THR B 53 -22.723 -10.788 4.166 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -3.028 -0.825 -3.193 1.00 0.00 ZN