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 22:sc= 0.542 USER MOD Single : A 5 DC O3' : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot -51:sc= 0.484 USER MOD Single : B 20 GLN : amide:sc= 0.996 K(o=1,f=-8.4!) USER MOD Single : B 25 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.35) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 153:sc= 0.541 (180deg=0.175) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 162:sc= -0.944 (180deg=-1.32) USER MOD Single : B 41 LYS NZ :NH3+ -130:sc= 1.31 (180deg=0.627) USER MOD Single : B 42 LYS NZ :NH3+ 151:sc= 0.574 (180deg=-0.0337) USER MOD Single : B 52 GLN : amide:sc= 0.455 K(o=0.46,f=-3.1!) USER MOD Single : B 53 THR OG1 : rot 32:sc= 0.496 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -1.754 -7.584 0.868 1.00 0.00 O ATOM 2 C5' DA A 1 -0.364 -7.685 1.104 1.00 0.00 C ATOM 3 C4' DA A 1 -0.044 -7.132 2.490 1.00 0.00 C ATOM 4 O4' DA A 1 1.243 -7.557 2.925 1.00 0.00 O ATOM 5 C3' DA A 1 -0.032 -5.600 2.470 1.00 0.00 C ATOM 6 O3' DA A 1 -0.642 -5.118 3.651 1.00 0.00 O ATOM 7 C2' DA A 1 1.460 -5.332 2.527 1.00 0.00 C ATOM 8 C1' DA A 1 1.872 -6.426 3.494 1.00 0.00 C ATOM 9 N9 DA A 1 3.334 -6.576 3.654 1.00 0.00 N ATOM 10 C8 DA A 1 4.352 -5.812 3.140 1.00 0.00 C ATOM 11 N7 DA A 1 5.545 -6.187 3.512 1.00 0.00 N ATOM 12 C5 DA A 1 5.304 -7.280 4.338 1.00 0.00 C ATOM 13 C6 DA A 1 6.146 -8.148 5.069 1.00 0.00 C ATOM 14 N6 DA A 1 7.476 -8.024 5.105 1.00 0.00 N ATOM 15 N1 DA A 1 5.581 -9.158 5.759 1.00 0.00 N ATOM 16 C2 DA A 1 4.257 -9.292 5.745 1.00 0.00 C ATOM 17 N3 DA A 1 3.360 -8.540 5.113 1.00 0.00 N ATOM 18 C4 DA A 1 3.957 -7.533 4.419 1.00 0.00 C ATOM 0 H5' DA A 1 0.186 -7.131 0.343 1.00 0.00 H new ATOM 0 H5'' DA A 1 -0.047 -8.725 1.033 1.00 0.00 H new ATOM 0 H4' DA A 1 -0.814 -7.504 3.165 1.00 0.00 H new ATOM 0 H3' DA A 1 -0.550 -5.141 1.628 1.00 0.00 H new ATOM 0 H2' DA A 1 1.941 -5.430 1.554 1.00 0.00 H new ATOM 0 H2'' DA A 1 1.693 -4.334 2.899 1.00 0.00 H new ATOM 0 HO5' DA A 1 -2.135 -6.892 1.448 1.00 0.00 H new ATOM 0 H1' DA A 1 1.571 -6.227 4.523 1.00 0.00 H new ATOM 0 H8 DA A 1 4.180 -4.972 2.483 1.00 0.00 H new ATOM 0 H61 DA A 1 8.035 -8.680 5.650 1.00 0.00 H new ATOM 0 H62 DA A 1 7.932 -7.273 4.587 1.00 0.00 H new ATOM 0 H2 DA A 1 3.860 -10.116 6.320 1.00 0.00 H new ATOM 31 P DC A 2 -2.216 -4.811 3.745 1.00 0.00 P ATOM 32 OP1 DC A 2 -2.679 -5.129 5.115 1.00 0.00 O ATOM 33 OP2 DC A 2 -2.897 -5.447 2.592 1.00 0.00 O ATOM 34 O5' DC A 2 -2.266 -3.209 3.550 1.00 0.00 O ATOM 35 C5' DC A 2 -2.058 -2.289 4.616 1.00 0.00 C ATOM 36 C4' DC A 2 -0.772 -2.536 5.423 1.00 0.00 C ATOM 37 O4' DC A 2 0.369 -2.750 4.618 1.00 0.00 O ATOM 38 C3' DC A 2 -0.356 -1.337 6.280 1.00 0.00 C ATOM 39 O3' DC A 2 -1.002 -1.340 7.540 1.00 0.00 O ATOM 40 C2' DC A 2 1.162 -1.520 6.402 1.00 0.00 C ATOM 41 C1' DC A 2 1.448 -2.739 5.529 1.00 0.00 C ATOM 42 N1 DC A 2 2.786 -2.660 4.888 1.00 0.00 N ATOM 43 C2 DC A 2 3.888 -3.166 5.583 1.00 0.00 C ATOM 44 O2 DC A 2 3.764 -3.646 6.708 1.00 0.00 O ATOM 45 N3 DC A 2 5.112 -3.119 4.982 1.00 0.00 N ATOM 46 C4 DC A 2 5.258 -2.607 3.754 1.00 0.00 C ATOM 47 N4 DC A 2 6.475 -2.573 3.208 1.00 0.00 N ATOM 48 C5 DC A 2 4.140 -2.092 3.021 1.00 0.00 C ATOM 49 C6 DC A 2 2.936 -2.115 3.639 1.00 0.00 C ATOM 0 H5' DC A 2 -2.912 -2.335 5.292 1.00 0.00 H new ATOM 0 H5'' DC A 2 -2.029 -1.279 4.208 1.00 0.00 H new ATOM 0 H4' DC A 2 -1.041 -3.411 6.014 1.00 0.00 H new ATOM 0 H3' DC A 2 -0.634 -0.377 5.845 1.00 0.00 H new ATOM 0 H2' DC A 2 1.701 -0.640 6.051 1.00 0.00 H new ATOM 0 H2'' DC A 2 1.464 -1.688 7.436 1.00 0.00 H new ATOM 0 H1' DC A 2 1.504 -3.673 6.088 1.00 0.00 H new ATOM 0 H41 DC A 2 6.604 -2.186 2.273 1.00 0.00 H new ATOM 0 H42 DC A 2 7.276 -2.934 3.726 1.00 0.00 H new ATOM 0 H5 DC A 2 4.253 -1.703 2.020 1.00 0.00 H new ATOM 0 H6 DC A 2 2.076 -1.696 3.138 1.00 0.00 H new ATOM 61 P DG A 3 -1.208 0.022 8.387 1.00 0.00 P ATOM 62 OP1 DG A 3 -1.860 -0.329 9.668 1.00 0.00 O ATOM 63 OP2 DG A 3 -1.844 1.017 7.493 1.00 0.00 O ATOM 64 O5' DG A 3 0.294 0.522 8.714 1.00 0.00 O ATOM 65 C5' DG A 3 0.537 1.843 9.170 1.00 0.00 C ATOM 66 C4' DG A 3 2.035 2.200 9.123 1.00 0.00 C ATOM 67 O4' DG A 3 2.599 1.584 7.978 1.00 0.00 O ATOM 68 C3' DG A 3 2.176 3.721 8.936 1.00 0.00 C ATOM 69 O3' DG A 3 3.315 4.367 9.513 1.00 0.00 O ATOM 70 C2' DG A 3 2.094 3.848 7.426 1.00 0.00 C ATOM 71 C1' DG A 3 2.747 2.543 6.952 1.00 0.00 C ATOM 72 N9 DG A 3 2.232 2.028 5.664 1.00 0.00 N ATOM 73 C8 DG A 3 0.946 1.964 5.189 1.00 0.00 C ATOM 74 N7 DG A 3 0.859 1.581 3.945 1.00 0.00 N ATOM 75 C5 DG A 3 2.178 1.346 3.572 1.00 0.00 C ATOM 76 C6 DG A 3 2.734 0.983 2.307 1.00 0.00 C ATOM 77 O6 DG A 3 2.144 0.794 1.247 1.00 0.00 O ATOM 78 N1 DG A 3 4.126 0.888 2.347 1.00 0.00 N ATOM 79 C2 DG A 3 4.886 1.022 3.497 1.00 0.00 C ATOM 80 N2 DG A 3 6.199 0.793 3.399 1.00 0.00 N ATOM 81 N3 DG A 3 4.364 1.364 4.682 1.00 0.00 N ATOM 82 C4 DG A 3 3.015 1.545 4.644 1.00 0.00 C ATOM 0 H5' DG A 3 0.171 1.948 10.191 1.00 0.00 H new ATOM 0 H5'' DG A 3 -0.024 2.548 8.556 1.00 0.00 H new ATOM 0 H4' DG A 3 2.527 1.872 10.039 1.00 0.00 H new ATOM 0 H3' DG A 3 1.407 4.257 9.492 1.00 0.00 H new ATOM 0 H2' DG A 3 1.064 3.936 7.081 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.628 4.726 7.062 1.00 0.00 H new ATOM 0 H1' DG A 3 3.798 2.754 6.755 1.00 0.00 H new ATOM 0 H8 DG A 3 0.083 2.209 5.791 1.00 0.00 H new ATOM 0 H1 DG A 3 4.616 0.708 1.471 1.00 0.00 H new ATOM 0 H21 DG A 3 6.795 0.881 4.222 1.00 0.00 H new ATOM 0 H22 DG A 3 6.605 0.530 2.501 1.00 0.00 H new ATOM 94 P DC A 4 4.879 4.169 9.093 1.00 0.00 P ATOM 95 OP1 DC A 4 5.141 2.725 8.909 1.00 0.00 O ATOM 96 OP2 DC A 4 5.668 4.912 10.101 1.00 0.00 O ATOM 97 O5' DC A 4 5.117 4.924 7.664 1.00 0.00 O ATOM 98 C5' DC A 4 6.287 4.651 6.900 1.00 0.00 C ATOM 99 C4' DC A 4 6.705 5.712 5.861 1.00 0.00 C ATOM 100 O4' DC A 4 5.889 5.776 4.705 1.00 0.00 O ATOM 101 C3' DC A 4 6.804 7.149 6.396 1.00 0.00 C ATOM 102 O3' DC A 4 8.128 7.658 6.365 1.00 0.00 O ATOM 103 C2' DC A 4 5.988 7.944 5.374 1.00 0.00 C ATOM 104 C1' DC A 4 6.120 7.051 4.142 1.00 0.00 C ATOM 105 N1 DC A 4 5.215 7.394 3.001 1.00 0.00 N ATOM 106 C2 DC A 4 5.776 7.647 1.742 1.00 0.00 C ATOM 107 O2 DC A 4 6.991 7.756 1.589 1.00 0.00 O ATOM 108 N3 DC A 4 4.943 7.756 0.667 1.00 0.00 N ATOM 109 C4 DC A 4 3.616 7.641 0.801 1.00 0.00 C ATOM 110 N4 DC A 4 2.855 7.647 -0.299 1.00 0.00 N ATOM 111 C5 DC A 4 3.011 7.520 2.095 1.00 0.00 C ATOM 112 C6 DC A 4 3.850 7.422 3.157 1.00 0.00 C ATOM 0 H5' DC A 4 6.139 3.705 6.379 1.00 0.00 H new ATOM 0 H5'' DC A 4 7.118 4.507 7.591 1.00 0.00 H new ATOM 0 H4' DC A 4 7.696 5.341 5.601 1.00 0.00 H new ATOM 0 H3' DC A 4 6.469 7.206 7.432 1.00 0.00 H new ATOM 0 H2' DC A 4 4.950 8.071 5.683 1.00 0.00 H new ATOM 0 H2'' DC A 4 6.395 8.941 5.207 1.00 0.00 H new ATOM 0 H1' DC A 4 7.084 7.151 3.643 1.00 0.00 H new ATOM 0 H41 DC A 4 1.842 7.561 -0.219 1.00 0.00 H new ATOM 0 H42 DC A 4 3.288 7.738 -1.218 1.00 0.00 H new ATOM 0 H5 DC A 4 1.938 7.507 2.219 1.00 0.00 H new ATOM 0 H6 DC A 4 3.434 7.364 4.152 1.00 0.00 H new ATOM 124 P DC A 5 9.363 6.983 7.156 1.00 0.00 P ATOM 125 OP1 DC A 5 10.131 6.175 6.181 1.00 0.00 O ATOM 126 OP2 DC A 5 8.841 6.336 8.378 1.00 0.00 O ATOM 127 O5' DC A 5 10.277 8.233 7.624 1.00 0.00 O ATOM 128 C5' DC A 5 10.666 9.275 6.743 1.00 0.00 C ATOM 129 C4' DC A 5 9.880 10.558 7.050 1.00 0.00 C ATOM 130 O4' DC A 5 8.495 10.356 6.847 1.00 0.00 O ATOM 131 C3' DC A 5 10.055 11.038 8.493 1.00 0.00 C ATOM 132 O3' DC A 5 11.150 11.919 8.622 1.00 0.00 O ATOM 133 C2' DC A 5 8.736 11.753 8.758 1.00 0.00 C ATOM 134 C1' DC A 5 7.743 11.083 7.800 1.00 0.00 C ATOM 135 N1 DC A 5 6.801 10.135 8.469 1.00 0.00 N ATOM 136 C2 DC A 5 5.434 10.216 8.176 1.00 0.00 C ATOM 137 O2 DC A 5 4.991 11.079 7.421 1.00 0.00 O ATOM 138 N3 DC A 5 4.589 9.304 8.740 1.00 0.00 N ATOM 139 C4 DC A 5 5.045 8.343 9.556 1.00 0.00 C ATOM 140 N4 DC A 5 4.182 7.444 10.040 1.00 0.00 N ATOM 141 C5 DC A 5 6.436 8.259 9.897 1.00 0.00 C ATOM 142 C6 DC A 5 7.265 9.166 9.329 1.00 0.00 C ATOM 0 H5' DC A 5 10.490 8.972 5.711 1.00 0.00 H new ATOM 0 H5'' DC A 5 11.735 9.463 6.842 1.00 0.00 H new ATOM 0 H4' DC A 5 10.280 11.311 6.371 1.00 0.00 H new ATOM 0 H3' DC A 5 10.266 10.231 9.194 1.00 0.00 H new ATOM 0 H2' DC A 5 8.424 11.641 9.796 1.00 0.00 H new ATOM 0 H2'' DC A 5 8.817 12.822 8.563 1.00 0.00 H new ATOM 0 HO3' DC A 5 11.230 12.206 9.555 1.00 0.00 H new ATOM 0 H1' DC A 5 7.135 11.872 7.358 1.00 0.00 H new ATOM 0 H41 DC A 5 4.510 6.705 10.662 1.00 0.00 H new ATOM 0 H42 DC A 5 3.195 7.497 9.787 1.00 0.00 H new ATOM 0 H5 DC A 5 6.805 7.505 10.577 1.00 0.00 H new ATOM 0 H6 DC A 5 8.320 9.128 9.557 1.00 0.00 H new TER 155 DC A 5 ATOM 156 N GLY B 14 16.206 -13.262 -1.546 1.00 0.00 N ATOM 157 CA GLY B 14 17.054 -12.060 -1.463 1.00 0.00 C ATOM 158 C GLY B 14 16.416 -10.978 -0.595 1.00 0.00 C ATOM 159 O GLY B 14 16.048 -9.918 -1.098 1.00 0.00 O ATOM 0 HA2 GLY B 14 18.027 -12.329 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY B 14 17.228 -11.667 -2.465 1.00 0.00 H new ATOM 165 N GLU B 15 16.264 -11.265 0.703 1.00 0.00 N ATOM 166 CA GLU B 15 15.506 -10.455 1.645 1.00 0.00 C ATOM 167 C GLU B 15 15.832 -10.884 3.077 1.00 0.00 C ATOM 168 O GLU B 15 16.518 -11.884 3.288 1.00 0.00 O ATOM 169 CB GLU B 15 13.994 -10.572 1.362 1.00 0.00 C ATOM 170 CG GLU B 15 13.403 -11.982 1.542 1.00 0.00 C ATOM 171 CD GLU B 15 13.924 -12.979 0.514 1.00 0.00 C ATOM 172 OE1 GLU B 15 13.490 -12.875 -0.653 1.00 0.00 O ATOM 173 OE2 GLU B 15 14.794 -13.797 0.887 1.00 0.00 O ATOM 0 H GLU B 15 16.679 -12.092 1.132 1.00 0.00 H new ATOM 0 HA GLU B 15 15.788 -9.409 1.524 1.00 0.00 H new ATOM 0 HB2 GLU B 15 13.463 -9.885 2.021 1.00 0.00 H new ATOM 0 HB3 GLU B 15 13.805 -10.243 0.340 1.00 0.00 H new ATOM 0 HG2 GLU B 15 13.638 -12.344 2.543 1.00 0.00 H new ATOM 0 HG3 GLU B 15 12.317 -11.927 1.470 1.00 0.00 H new ATOM 180 N ARG B 16 15.317 -10.133 4.058 1.00 0.00 N ATOM 181 CA ARG B 16 15.352 -10.518 5.462 1.00 0.00 C ATOM 182 C ARG B 16 14.110 -11.355 5.767 1.00 0.00 C ATOM 183 O ARG B 16 14.224 -12.525 6.128 1.00 0.00 O ATOM 184 CB ARG B 16 15.452 -9.277 6.361 1.00 0.00 C ATOM 185 CG ARG B 16 16.682 -8.405 6.066 1.00 0.00 C ATOM 186 CD ARG B 16 18.004 -9.183 6.045 1.00 0.00 C ATOM 187 NE ARG B 16 18.196 -9.961 7.281 1.00 0.00 N ATOM 188 CZ ARG B 16 18.546 -11.258 7.374 1.00 0.00 C ATOM 189 NH1 ARG B 16 18.766 -12.014 6.288 1.00 0.00 N ATOM 190 NH2 ARG B 16 18.677 -11.809 8.588 1.00 0.00 N ATOM 0 H ARG B 16 14.862 -9.235 3.892 1.00 0.00 H new ATOM 0 HA ARG B 16 16.237 -11.120 5.668 1.00 0.00 H new ATOM 0 HB2 ARG B 16 14.552 -8.675 6.238 1.00 0.00 H new ATOM 0 HB3 ARG B 16 15.483 -9.595 7.403 1.00 0.00 H new ATOM 0 HG2 ARG B 16 16.545 -7.915 5.102 1.00 0.00 H new ATOM 0 HG3 ARG B 16 16.746 -7.618 6.818 1.00 0.00 H new ATOM 0 HD2 ARG B 16 18.018 -9.854 5.186 1.00 0.00 H new ATOM 0 HD3 ARG B 16 18.834 -8.488 5.920 1.00 0.00 H new ATOM 0 HE ARG B 16 18.048 -9.465 8.160 1.00 0.00 H new ATOM 0 HH11 ARG B 16 18.669 -11.609 5.357 1.00 0.00 H new ATOM 0 HH12 ARG B 16 19.030 -12.994 6.393 1.00 0.00 H new ATOM 0 HH21 ARG B 16 18.512 -11.247 9.423 1.00 0.00 H new ATOM 0 HH22 ARG B 16 18.941 -12.790 8.677 1.00 0.00 H new ATOM 204 N ARG B 17 12.928 -10.757 5.586 1.00 0.00 N ATOM 205 CA ARG B 17 11.647 -11.446 5.627 1.00 0.00 C ATOM 206 C ARG B 17 10.672 -10.625 4.784 1.00 0.00 C ATOM 207 O ARG B 17 9.725 -10.035 5.302 1.00 0.00 O ATOM 208 CB ARG B 17 11.194 -11.635 7.086 1.00 0.00 C ATOM 209 CG ARG B 17 9.957 -12.532 7.242 1.00 0.00 C ATOM 210 CD ARG B 17 10.222 -13.975 6.794 1.00 0.00 C ATOM 211 NE ARG B 17 9.098 -14.854 7.140 1.00 0.00 N ATOM 212 CZ ARG B 17 9.059 -16.175 6.900 1.00 0.00 C ATOM 213 NH1 ARG B 17 10.086 -16.792 6.298 1.00 0.00 N ATOM 214 NH2 ARG B 17 7.983 -16.883 7.266 1.00 0.00 N ATOM 0 H ARG B 17 12.840 -9.757 5.403 1.00 0.00 H new ATOM 0 HA ARG B 17 11.706 -12.451 5.210 1.00 0.00 H new ATOM 0 HB2 ARG B 17 12.016 -12.064 7.659 1.00 0.00 H new ATOM 0 HB3 ARG B 17 10.979 -10.658 7.519 1.00 0.00 H new ATOM 0 HG2 ARG B 17 9.639 -12.530 8.285 1.00 0.00 H new ATOM 0 HG3 ARG B 17 9.135 -12.118 6.658 1.00 0.00 H new ATOM 0 HD2 ARG B 17 10.388 -13.999 5.717 1.00 0.00 H new ATOM 0 HD3 ARG B 17 11.133 -14.343 7.265 1.00 0.00 H new ATOM 0 HE ARG B 17 8.289 -14.431 7.595 1.00 0.00 H new ATOM 0 HH11 ARG B 17 10.908 -16.258 6.017 1.00 0.00 H new ATOM 0 HH12 ARG B 17 10.045 -17.796 6.121 1.00 0.00 H new ATOM 0 HH21 ARG B 17 7.199 -16.419 7.724 1.00 0.00 H new ATOM 0 HH22 ARG B 17 7.948 -17.886 7.086 1.00 0.00 H new ATOM 228 N ARG B 18 10.961 -10.568 3.477 1.00 0.00 N ATOM 229 CA ARG B 18 10.328 -9.694 2.500 1.00 0.00 C ATOM 230 C ARG B 18 10.619 -8.242 2.886 1.00 0.00 C ATOM 231 O ARG B 18 9.866 -7.637 3.646 1.00 0.00 O ATOM 232 CB ARG B 18 8.827 -9.995 2.370 1.00 0.00 C ATOM 233 CG ARG B 18 8.239 -9.357 1.104 1.00 0.00 C ATOM 234 CD ARG B 18 6.759 -8.997 1.273 1.00 0.00 C ATOM 235 NE ARG B 18 5.981 -10.088 1.879 1.00 0.00 N ATOM 236 CZ ARG B 18 4.655 -10.048 2.092 1.00 0.00 C ATOM 237 NH1 ARG B 18 3.920 -9.017 1.651 1.00 0.00 N ATOM 238 NH2 ARG B 18 4.060 -11.047 2.757 1.00 0.00 N ATOM 0 H ARG B 18 11.678 -11.162 3.060 1.00 0.00 H new ATOM 0 HA ARG B 18 10.744 -9.874 1.509 1.00 0.00 H new ATOM 0 HB2 ARG B 18 8.671 -11.073 2.343 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.301 -9.619 3.248 1.00 0.00 H new ATOM 0 HG2 ARG B 18 8.804 -8.459 0.856 1.00 0.00 H new ATOM 0 HG3 ARG B 18 8.351 -10.045 0.266 1.00 0.00 H new ATOM 0 HD2 ARG B 18 6.674 -8.105 1.894 1.00 0.00 H new ATOM 0 HD3 ARG B 18 6.335 -8.749 0.300 1.00 0.00 H new ATOM 0 HE ARG B 18 6.482 -10.932 2.156 1.00 0.00 H new ATOM 0 HH11 ARG B 18 4.367 -8.251 1.147 1.00 0.00 H new ATOM 0 HH12 ARG B 18 2.914 -8.999 1.819 1.00 0.00 H new ATOM 0 HH21 ARG B 18 4.613 -11.833 3.099 1.00 0.00 H new ATOM 0 HH22 ARG B 18 3.054 -11.022 2.922 1.00 0.00 H new ATOM 252 N SER B 19 11.733 -7.696 2.384 1.00 0.00 N ATOM 253 CA SER B 19 12.262 -6.399 2.779 1.00 0.00 C ATOM 254 C SER B 19 11.504 -5.257 2.091 1.00 0.00 C ATOM 255 O SER B 19 12.094 -4.471 1.351 1.00 0.00 O ATOM 256 CB SER B 19 13.761 -6.375 2.460 1.00 0.00 C ATOM 257 OG SER B 19 14.418 -7.443 3.116 1.00 0.00 O ATOM 0 H SER B 19 12.300 -8.161 1.675 1.00 0.00 H new ATOM 0 HA SER B 19 12.123 -6.248 3.850 1.00 0.00 H new ATOM 0 HB2 SER B 19 13.912 -6.452 1.383 1.00 0.00 H new ATOM 0 HB3 SER B 19 14.192 -5.425 2.775 1.00 0.00 H new ATOM 0 HG SER B 19 14.179 -7.439 4.067 1.00 0.00 H new ATOM 263 N GLN B 20 10.195 -5.175 2.364 1.00 0.00 N ATOM 264 CA GLN B 20 9.238 -4.215 1.834 1.00 0.00 C ATOM 265 C GLN B 20 9.018 -4.351 0.327 1.00 0.00 C ATOM 266 O GLN B 20 9.827 -4.932 -0.394 1.00 0.00 O ATOM 267 CB GLN B 20 9.622 -2.769 2.185 1.00 0.00 C ATOM 268 CG GLN B 20 9.895 -2.570 3.679 1.00 0.00 C ATOM 269 CD GLN B 20 9.852 -1.089 4.043 1.00 0.00 C ATOM 270 OE1 GLN B 20 8.891 -0.622 4.651 1.00 0.00 O ATOM 271 NE2 GLN B 20 10.889 -0.340 3.663 1.00 0.00 N ATOM 0 H GLN B 20 9.752 -5.829 3.009 1.00 0.00 H new ATOM 0 HA GLN B 20 8.292 -4.453 2.321 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.509 -2.486 1.618 1.00 0.00 H new ATOM 0 HB3 GLN B 20 8.819 -2.100 1.875 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.155 -3.115 4.265 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.871 -2.984 3.934 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.668 -0.765 3.160 1.00 0.00 H new ATOM 0 HE22 GLN B 20 10.903 0.658 3.876 1.00 0.00 H new ATOM 280 N LEU B 21 7.901 -3.779 -0.134 1.00 0.00 N ATOM 281 CA LEU B 21 7.600 -3.581 -1.541 1.00 0.00 C ATOM 282 C LEU B 21 8.051 -2.167 -1.892 1.00 0.00 C ATOM 283 O LEU B 21 8.936 -1.992 -2.727 1.00 0.00 O ATOM 284 CB LEU B 21 6.104 -3.778 -1.822 1.00 0.00 C ATOM 285 CG LEU B 21 5.667 -5.240 -1.636 1.00 0.00 C ATOM 286 CD1 LEU B 21 5.156 -5.509 -0.217 1.00 0.00 C ATOM 287 CD2 LEU B 21 4.561 -5.578 -2.642 1.00 0.00 C ATOM 0 H LEU B 21 7.167 -3.434 0.484 1.00 0.00 H new ATOM 0 HA LEU B 21 8.122 -4.314 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU B 21 5.524 -3.139 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU B 21 5.882 -3.461 -2.841 1.00 0.00 H new ATOM 0 HG LEU B 21 6.541 -5.869 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU B 21 4.858 -6.554 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU B 21 5.948 -5.296 0.501 1.00 0.00 H new ATOM 0 HD13 LEU B 21 4.298 -4.869 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU B 21 4.252 -6.615 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU B 21 3.707 -4.921 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU B 21 4.936 -5.439 -3.656 1.00 0.00 H new ATOM 299 N ASP B 22 7.460 -1.167 -1.223 1.00 0.00 N ATOM 300 CA ASP B 22 7.857 0.227 -1.340 1.00 0.00 C ATOM 301 C ASP B 22 7.271 1.035 -0.179 1.00 0.00 C ATOM 302 O ASP B 22 6.389 0.561 0.538 1.00 0.00 O ATOM 303 CB ASP B 22 7.391 0.798 -2.688 1.00 0.00 C ATOM 304 CG ASP B 22 8.360 1.838 -3.251 1.00 0.00 C ATOM 305 OD1 ASP B 22 8.620 2.831 -2.539 1.00 0.00 O ATOM 306 OD2 ASP B 22 8.817 1.624 -4.394 1.00 0.00 O ATOM 0 H ASP B 22 6.683 -1.315 -0.579 1.00 0.00 H new ATOM 0 HA ASP B 22 8.944 0.294 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP B 22 7.280 -0.016 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP B 22 6.407 1.251 -2.566 1.00 0.00 H new ATOM 311 N ARG B 23 7.770 2.264 -0.026 1.00 0.00 N ATOM 312 CA ARG B 23 7.307 3.299 0.891 1.00 0.00 C ATOM 313 C ARG B 23 6.442 4.306 0.146 1.00 0.00 C ATOM 314 O ARG B 23 5.538 4.884 0.733 1.00 0.00 O ATOM 315 CB ARG B 23 8.525 4.010 1.485 1.00 0.00 C ATOM 316 CG ARG B 23 9.209 3.087 2.492 1.00 0.00 C ATOM 317 CD ARG B 23 8.732 3.399 3.913 1.00 0.00 C ATOM 318 NE ARG B 23 8.989 2.277 4.823 1.00 0.00 N ATOM 319 CZ ARG B 23 9.229 2.353 6.144 1.00 0.00 C ATOM 320 NH1 ARG B 23 9.481 3.517 6.757 1.00 0.00 N ATOM 321 NH2 ARG B 23 9.214 1.224 6.865 1.00 0.00 N ATOM 0 H ARG B 23 8.565 2.581 -0.581 1.00 0.00 H new ATOM 0 HA ARG B 23 6.714 2.846 1.685 1.00 0.00 H new ATOM 0 HB2 ARG B 23 9.222 4.283 0.693 1.00 0.00 H new ATOM 0 HB3 ARG B 23 8.218 4.935 1.973 1.00 0.00 H new ATOM 0 HG2 ARG B 23 8.990 2.047 2.248 1.00 0.00 H new ATOM 0 HG3 ARG B 23 10.290 3.208 2.430 1.00 0.00 H new ATOM 0 HD2 ARG B 23 9.239 4.291 4.281 1.00 0.00 H new ATOM 0 HD3 ARG B 23 7.665 3.621 3.900 1.00 0.00 H new ATOM 0 HE ARG B 23 8.985 1.344 4.411 1.00 0.00 H new ATOM 0 HH11 ARG B 23 9.495 4.384 6.220 1.00 0.00 H new ATOM 0 HH12 ARG B 23 9.659 3.537 7.761 1.00 0.00 H new ATOM 0 HH21 ARG B 23 9.023 0.331 6.410 1.00 0.00 H new ATOM 0 HH22 ARG B 23 9.393 1.257 7.869 1.00 0.00 H new ATOM 335 N ASP B 24 6.729 4.520 -1.137 1.00 0.00 N ATOM 336 CA ASP B 24 5.995 5.415 -2.015 1.00 0.00 C ATOM 337 C ASP B 24 4.684 4.785 -2.507 1.00 0.00 C ATOM 338 O ASP B 24 3.610 5.316 -2.229 1.00 0.00 O ATOM 339 CB ASP B 24 6.907 5.813 -3.180 1.00 0.00 C ATOM 340 CG ASP B 24 8.082 6.665 -2.703 1.00 0.00 C ATOM 341 OD1 ASP B 24 9.057 6.069 -2.197 1.00 0.00 O ATOM 342 OD2 ASP B 24 7.982 7.902 -2.853 1.00 0.00 O ATOM 0 H ASP B 24 7.507 4.056 -1.605 1.00 0.00 H new ATOM 0 HA ASP B 24 5.708 6.308 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP B 24 7.282 4.916 -3.673 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.331 6.367 -3.922 1.00 0.00 H new ATOM 347 N GLN B 25 4.772 3.683 -3.265 1.00 0.00 N ATOM 348 CA GLN B 25 3.645 3.063 -3.969 1.00 0.00 C ATOM 349 C GLN B 25 2.926 2.009 -3.112 1.00 0.00 C ATOM 350 O GLN B 25 3.461 1.555 -2.101 1.00 0.00 O ATOM 351 CB GLN B 25 4.124 2.476 -5.310 1.00 0.00 C ATOM 352 CG GLN B 25 5.223 1.421 -5.123 1.00 0.00 C ATOM 353 CD GLN B 25 5.600 0.687 -6.406 1.00 0.00 C ATOM 354 OE1 GLN B 25 5.515 1.240 -7.499 1.00 0.00 O ATOM 355 NE2 GLN B 25 6.015 -0.576 -6.269 1.00 0.00 N ATOM 0 H GLN B 25 5.652 3.187 -3.408 1.00 0.00 H new ATOM 0 HA GLN B 25 2.907 3.840 -4.170 1.00 0.00 H new ATOM 0 HB2 GLN B 25 3.278 2.028 -5.831 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.499 3.280 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.112 1.905 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN B 25 4.891 0.692 -4.383 1.00 0.00 H new ATOM 0 HE21 GLN B 25 6.071 -0.997 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN B 25 6.276 -1.119 -7.092 1.00 0.00 H new ATOM 364 N CYS B 26 1.705 1.627 -3.524 1.00 0.00 N ATOM 365 CA CYS B 26 0.860 0.668 -2.813 1.00 0.00 C ATOM 366 C CYS B 26 1.518 -0.710 -2.706 1.00 0.00 C ATOM 367 O CYS B 26 2.177 -1.177 -3.633 1.00 0.00 O ATOM 368 CB CYS B 26 -0.538 0.577 -3.454 1.00 0.00 C ATOM 369 SG CYS B 26 -1.632 -0.650 -2.669 1.00 0.00 S ATOM 0 H CYS B 26 1.275 1.986 -4.377 1.00 0.00 H new ATOM 0 HA CYS B 26 0.738 1.039 -1.795 1.00 0.00 H new ATOM 0 HB2 CYS B 26 -1.013 1.557 -3.406 1.00 0.00 H new ATOM 0 HB3 CYS B 26 -0.427 0.328 -4.509 1.00 0.00 H new ATOM 374 N ALA B 27 1.311 -1.360 -1.556 1.00 0.00 N ATOM 375 CA ALA B 27 1.876 -2.657 -1.200 1.00 0.00 C ATOM 376 C ALA B 27 1.026 -3.828 -1.710 1.00 0.00 C ATOM 377 O ALA B 27 1.098 -4.925 -1.158 1.00 0.00 O ATOM 378 CB ALA B 27 1.958 -2.714 0.325 1.00 0.00 C ATOM 0 H ALA B 27 0.719 -0.976 -0.819 1.00 0.00 H new ATOM 0 HA ALA B 27 2.857 -2.755 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.377 -3.672 0.631 1.00 0.00 H new ATOM 0 HB2 ALA B 27 2.596 -1.907 0.685 1.00 0.00 H new ATOM 0 HB3 ALA B 27 0.959 -2.603 0.747 1.00 0.00 H new ATOM 384 N TYR B 28 0.213 -3.597 -2.745 1.00 0.00 N ATOM 385 CA TYR B 28 -0.817 -4.512 -3.215 1.00 0.00 C ATOM 386 C TYR B 28 -0.925 -4.360 -4.730 1.00 0.00 C ATOM 387 O TYR B 28 -0.755 -5.318 -5.482 1.00 0.00 O ATOM 388 CB TYR B 28 -2.130 -4.123 -2.508 1.00 0.00 C ATOM 389 CG TYR B 28 -3.240 -5.154 -2.488 1.00 0.00 C ATOM 390 CD1 TYR B 28 -3.971 -5.436 -3.657 1.00 0.00 C ATOM 391 CD2 TYR B 28 -3.586 -5.787 -1.279 1.00 0.00 C ATOM 392 CE1 TYR B 28 -5.068 -6.313 -3.607 1.00 0.00 C ATOM 393 CE2 TYR B 28 -4.671 -6.678 -1.233 1.00 0.00 C ATOM 394 CZ TYR B 28 -5.422 -6.930 -2.395 1.00 0.00 C ATOM 395 OH TYR B 28 -6.493 -7.774 -2.350 1.00 0.00 O ATOM 0 H TYR B 28 0.260 -2.738 -3.293 1.00 0.00 H new ATOM 0 HA TYR B 28 -0.588 -5.554 -2.991 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -1.893 -3.862 -1.476 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -2.515 -3.222 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -3.689 -4.978 -4.593 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -3.015 -5.587 -0.384 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -5.640 -6.513 -4.501 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -4.928 -7.169 -0.306 1.00 0.00 H new ATOM 0 HH TYR B 28 -6.601 -8.117 -1.438 1.00 0.00 H new ATOM 405 N CYS B 29 -1.184 -3.117 -5.141 1.00 0.00 N ATOM 406 CA CYS B 29 -1.474 -2.675 -6.495 1.00 0.00 C ATOM 407 C CYS B 29 -0.253 -2.028 -7.125 1.00 0.00 C ATOM 408 O CYS B 29 -0.088 -2.101 -8.341 1.00 0.00 O ATOM 409 CB CYS B 29 -2.578 -1.617 -6.452 1.00 0.00 C ATOM 410 SG CYS B 29 -3.994 -2.048 -5.459 1.00 0.00 S ATOM 0 H CYS B 29 -1.196 -2.339 -4.481 1.00 0.00 H new ATOM 0 HA CYS B 29 -1.775 -3.545 -7.078 1.00 0.00 H new ATOM 0 HB2 CYS B 29 -2.155 -0.687 -6.071 1.00 0.00 H new ATOM 0 HB3 CYS B 29 -2.913 -1.421 -7.471 1.00 0.00 H new ATOM 415 N LYS B 30 0.581 -1.387 -6.288 1.00 0.00 N ATOM 416 CA LYS B 30 1.678 -0.528 -6.705 1.00 0.00 C ATOM 417 C LYS B 30 1.205 0.361 -7.859 1.00 0.00 C ATOM 418 O LYS B 30 1.757 0.359 -8.958 1.00 0.00 O ATOM 419 CB LYS B 30 2.984 -1.317 -6.926 1.00 0.00 C ATOM 420 CG LYS B 30 2.932 -2.778 -7.406 1.00 0.00 C ATOM 421 CD LYS B 30 2.259 -3.732 -6.404 1.00 0.00 C ATOM 422 CE LYS B 30 2.966 -5.079 -6.258 1.00 0.00 C ATOM 423 NZ LYS B 30 2.213 -5.951 -5.337 1.00 0.00 N ATOM 0 H LYS B 30 0.499 -1.462 -5.274 1.00 0.00 H new ATOM 0 HA LYS B 30 1.961 0.156 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS B 30 3.580 -0.760 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS B 30 3.532 -1.305 -5.984 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.395 -2.821 -8.353 1.00 0.00 H new ATOM 0 HG3 LYS B 30 3.947 -3.125 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS B 30 2.217 -3.248 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.230 -3.906 -6.718 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.056 -5.558 -7.233 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.978 -4.928 -5.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.396 -6.947 -5.575 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.516 -5.767 -4.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.196 -5.755 -5.427 1.00 0.00 H new ATOM 437 N GLU B 31 0.117 1.086 -7.565 1.00 0.00 N ATOM 438 CA GLU B 31 -0.683 1.843 -8.516 1.00 0.00 C ATOM 439 C GLU B 31 -0.094 3.234 -8.786 1.00 0.00 C ATOM 440 O GLU B 31 1.090 3.473 -8.556 1.00 0.00 O ATOM 441 CB GLU B 31 -2.131 1.919 -7.991 1.00 0.00 C ATOM 442 CG GLU B 31 -3.148 1.742 -9.127 1.00 0.00 C ATOM 443 CD GLU B 31 -4.529 2.277 -8.764 1.00 0.00 C ATOM 444 OE1 GLU B 31 -4.591 3.434 -8.296 1.00 0.00 O ATOM 445 OE2 GLU B 31 -5.502 1.518 -8.969 1.00 0.00 O ATOM 0 H GLU B 31 -0.239 1.159 -6.612 1.00 0.00 H new ATOM 0 HA GLU B 31 -0.677 1.331 -9.478 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -2.287 1.148 -7.237 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -2.293 2.880 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.786 2.255 -10.018 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -3.226 0.684 -9.378 1.00 0.00 H new ATOM 452 N LYS B 32 -0.934 4.150 -9.285 1.00 0.00 N ATOM 453 CA LYS B 32 -0.551 5.484 -9.709 1.00 0.00 C ATOM 454 C LYS B 32 -0.288 6.370 -8.493 1.00 0.00 C ATOM 455 O LYS B 32 0.788 6.956 -8.389 1.00 0.00 O ATOM 456 CB LYS B 32 -1.663 6.102 -10.571 1.00 0.00 C ATOM 457 CG LYS B 32 -1.793 5.518 -11.987 1.00 0.00 C ATOM 458 CD LYS B 32 -2.356 4.093 -11.992 1.00 0.00 C ATOM 459 CE LYS B 32 -2.757 3.634 -13.395 1.00 0.00 C ATOM 460 NZ LYS B 32 -3.293 2.260 -13.364 1.00 0.00 N ATOM 0 H LYS B 32 -1.930 3.967 -9.405 1.00 0.00 H new ATOM 0 HA LYS B 32 0.362 5.413 -10.300 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.614 5.975 -10.054 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -1.485 7.174 -10.652 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -2.440 6.162 -12.583 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -0.814 5.519 -12.467 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -1.611 3.408 -11.587 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.224 4.045 -11.334 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -3.506 4.312 -13.804 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -1.892 3.677 -14.057 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -3.559 1.969 -14.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -2.568 1.613 -12.994 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -4.131 2.228 -12.749 1.00 0.00 H new ATOM 474 N GLY B 33 -1.280 6.500 -7.600 1.00 0.00 N ATOM 475 CA GLY B 33 -1.223 7.481 -6.528 1.00 0.00 C ATOM 476 C GLY B 33 -2.086 7.138 -5.320 1.00 0.00 C ATOM 477 O GLY B 33 -2.856 7.977 -4.855 1.00 0.00 O ATOM 0 H GLY B 33 -2.128 5.934 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -0.188 7.587 -6.203 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -1.535 8.449 -6.920 1.00 0.00 H new ATOM 481 N HIS B 34 -1.933 5.918 -4.802 1.00 0.00 N ATOM 482 CA HIS B 34 -2.483 5.526 -3.510 1.00 0.00 C ATOM 483 C HIS B 34 -1.523 4.538 -2.846 1.00 0.00 C ATOM 484 O HIS B 34 -0.518 4.147 -3.440 1.00 0.00 O ATOM 485 CB HIS B 34 -3.933 5.016 -3.590 1.00 0.00 C ATOM 486 CG HIS B 34 -4.098 3.598 -4.080 1.00 0.00 C ATOM 487 ND1 HIS B 34 -4.590 3.209 -5.306 1.00 0.00 N ATOM 488 CD2 HIS B 34 -3.851 2.417 -3.445 1.00 0.00 C ATOM 489 CE1 HIS B 34 -4.582 1.861 -5.299 1.00 0.00 C ATOM 490 NE2 HIS B 34 -4.101 1.273 -4.191 1.00 0.00 N ATOM 0 H HIS B 34 -1.420 5.172 -5.273 1.00 0.00 H new ATOM 0 HA HIS B 34 -2.562 6.412 -2.880 1.00 0.00 H new ATOM 0 HB2 HIS B 34 -4.382 5.094 -2.600 1.00 0.00 H new ATOM 0 HB3 HIS B 34 -4.496 5.677 -4.249 1.00 0.00 H new ATOM 0 HD1 HIS B 34 -4.898 3.817 -6.065 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -3.485 2.374 -2.430 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -4.943 1.285 -6.138 1.00 0.00 H new ATOM 498 N TRP B 35 -1.828 4.170 -1.598 1.00 0.00 N ATOM 499 CA TRP B 35 -0.948 3.414 -0.722 1.00 0.00 C ATOM 500 C TRP B 35 -1.696 2.240 -0.094 1.00 0.00 C ATOM 501 O TRP B 35 -2.921 2.203 -0.158 1.00 0.00 O ATOM 502 CB TRP B 35 -0.406 4.389 0.321 1.00 0.00 C ATOM 503 CG TRP B 35 0.995 4.172 0.769 1.00 0.00 C ATOM 504 CD1 TRP B 35 2.018 3.730 0.007 1.00 0.00 C ATOM 505 CD2 TRP B 35 1.558 4.428 2.081 1.00 0.00 C ATOM 506 NE1 TRP B 35 3.159 3.648 0.763 1.00 0.00 N ATOM 507 CE2 TRP B 35 2.937 4.080 2.051 1.00 0.00 C ATOM 508 CE3 TRP B 35 1.050 4.964 3.279 1.00 0.00 C ATOM 509 CZ2 TRP B 35 3.764 4.199 3.174 1.00 0.00 C ATOM 510 CZ3 TRP B 35 1.869 5.100 4.408 1.00 0.00 C ATOM 511 CH2 TRP B 35 3.204 4.665 4.372 1.00 0.00 C ATOM 0 H TRP B 35 -2.722 4.400 -1.163 1.00 0.00 H new ATOM 0 HA TRP B 35 -0.116 2.976 -1.274 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -0.482 5.398 -0.084 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -1.054 4.347 1.196 1.00 0.00 H new ATOM 0 HD1 TRP B 35 1.948 3.479 -1.041 1.00 0.00 H new ATOM 0 HE1 TRP B 35 4.057 3.310 0.416 1.00 0.00 H new ATOM 0 HE3 TRP B 35 0.017 5.274 3.329 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 4.810 3.938 3.119 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.472 5.541 5.310 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.802 4.690 5.271 1.00 0.00 H new ATOM 522 N ALA B 36 -0.987 1.292 0.535 1.00 0.00 N ATOM 523 CA ALA B 36 -1.631 0.116 1.131 1.00 0.00 C ATOM 524 C ALA B 36 -2.675 0.547 2.165 1.00 0.00 C ATOM 525 O ALA B 36 -3.732 -0.063 2.311 1.00 0.00 O ATOM 526 CB ALA B 36 -0.582 -0.800 1.758 1.00 0.00 C ATOM 0 H ALA B 36 0.027 1.317 0.643 1.00 0.00 H new ATOM 0 HA ALA B 36 -2.143 -0.442 0.347 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -1.073 -1.669 2.197 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.119 -1.128 0.991 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -0.043 -0.258 2.534 1.00 0.00 H new ATOM 532 N LYS B 37 -2.353 1.657 2.831 1.00 0.00 N ATOM 533 CA LYS B 37 -3.148 2.438 3.748 1.00 0.00 C ATOM 534 C LYS B 37 -4.513 2.787 3.153 1.00 0.00 C ATOM 535 O LYS B 37 -5.553 2.603 3.781 1.00 0.00 O ATOM 536 CB LYS B 37 -2.320 3.714 3.949 1.00 0.00 C ATOM 537 CG LYS B 37 -2.453 4.353 5.321 1.00 0.00 C ATOM 538 CD LYS B 37 -3.823 4.910 5.739 1.00 0.00 C ATOM 539 CE LYS B 37 -4.229 6.198 5.009 1.00 0.00 C ATOM 540 NZ LYS B 37 -4.840 5.936 3.695 1.00 0.00 N ATOM 0 H LYS B 37 -1.425 2.065 2.721 1.00 0.00 H new ATOM 0 HA LYS B 37 -3.353 1.901 4.674 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -1.270 3.480 3.774 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -2.614 4.443 3.194 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.156 3.611 6.063 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -1.732 5.168 5.379 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -4.582 4.149 5.559 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -3.812 5.102 6.812 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -4.932 6.756 5.628 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -3.350 6.829 4.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -5.363 6.778 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -4.095 5.714 3.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -5.494 5.130 3.770 1.00 0.00 H new ATOM 554 N ASP B 38 -4.467 3.358 1.947 1.00 0.00 N ATOM 555 CA ASP B 38 -5.573 3.976 1.230 1.00 0.00 C ATOM 556 C ASP B 38 -6.185 3.023 0.199 1.00 0.00 C ATOM 557 O ASP B 38 -7.059 3.422 -0.568 1.00 0.00 O ATOM 558 CB ASP B 38 -4.997 5.184 0.475 1.00 0.00 C ATOM 559 CG ASP B 38 -6.074 6.194 0.098 1.00 0.00 C ATOM 560 OD1 ASP B 38 -6.602 6.815 1.047 1.00 0.00 O ATOM 561 OD2 ASP B 38 -6.328 6.342 -1.116 1.00 0.00 O ATOM 0 H ASP B 38 -3.598 3.401 1.415 1.00 0.00 H new ATOM 0 HA ASP B 38 -6.351 4.252 1.942 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -4.244 5.672 1.094 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -4.493 4.839 -0.428 1.00 0.00 H new ATOM 566 N CYS B 39 -5.711 1.775 0.154 1.00 0.00 N ATOM 567 CA CYS B 39 -6.009 0.866 -0.927 1.00 0.00 C ATOM 568 C CYS B 39 -7.498 0.523 -1.071 1.00 0.00 C ATOM 569 O CYS B 39 -8.113 0.063 -0.110 1.00 0.00 O ATOM 570 CB CYS B 39 -5.191 -0.400 -0.742 1.00 0.00 C ATOM 571 SG CYS B 39 -5.246 -1.459 -2.194 1.00 0.00 S ATOM 0 H CYS B 39 -5.109 1.377 0.875 1.00 0.00 H new ATOM 0 HA CYS B 39 -5.741 1.375 -1.853 1.00 0.00 H new ATOM 0 HB2 CYS B 39 -4.156 -0.134 -0.527 1.00 0.00 H new ATOM 0 HB3 CYS B 39 -5.565 -0.950 0.122 1.00 0.00 H new ATOM 576 N PRO B 40 -8.078 0.706 -2.272 1.00 0.00 N ATOM 577 CA PRO B 40 -9.442 0.324 -2.581 1.00 0.00 C ATOM 578 C PRO B 40 -9.578 -1.182 -2.840 1.00 0.00 C ATOM 579 O PRO B 40 -10.631 -1.747 -2.550 1.00 0.00 O ATOM 580 CB PRO B 40 -9.811 1.148 -3.817 1.00 0.00 C ATOM 581 CG PRO B 40 -8.484 1.269 -4.561 1.00 0.00 C ATOM 582 CD PRO B 40 -7.465 1.339 -3.427 1.00 0.00 C ATOM 0 HA PRO B 40 -10.112 0.521 -1.744 1.00 0.00 H new ATOM 0 HB2 PRO B 40 -10.568 0.650 -4.422 1.00 0.00 H new ATOM 0 HB3 PRO B 40 -10.211 2.125 -3.546 1.00 0.00 H new ATOM 0 HG2 PRO B 40 -8.306 0.413 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO B 40 -8.452 2.159 -5.189 1.00 0.00 H new ATOM 0 HD2 PRO B 40 -6.543 0.828 -3.704 1.00 0.00 H new ATOM 0 HD3 PRO B 40 -7.202 2.374 -3.207 1.00 0.00 H new ATOM 590 N LYS B 41 -8.539 -1.822 -3.396 1.00 0.00 N ATOM 591 CA LYS B 41 -8.546 -3.235 -3.762 1.00 0.00 C ATOM 592 C LYS B 41 -8.326 -4.136 -2.544 1.00 0.00 C ATOM 593 O LYS B 41 -8.728 -5.298 -2.549 1.00 0.00 O ATOM 594 CB LYS B 41 -7.486 -3.505 -4.839 1.00 0.00 C ATOM 595 CG LYS B 41 -7.616 -2.519 -6.003 1.00 0.00 C ATOM 596 CD LYS B 41 -6.960 -3.096 -7.260 1.00 0.00 C ATOM 597 CE LYS B 41 -6.841 -2.037 -8.361 1.00 0.00 C ATOM 598 NZ LYS B 41 -5.815 -1.034 -8.028 1.00 0.00 N ATOM 0 H LYS B 41 -7.655 -1.357 -3.606 1.00 0.00 H new ATOM 0 HA LYS B 41 -9.530 -3.474 -4.166 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -6.491 -3.426 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -7.591 -4.525 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -8.668 -2.310 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -7.146 -1.571 -5.741 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -5.970 -3.480 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -7.547 -3.939 -7.625 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -6.589 -2.518 -9.306 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -7.803 -1.544 -8.500 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -6.211 -0.080 -8.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -5.510 -1.163 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -4.998 -1.150 -8.661 1.00 0.00 H new ATOM 612 N LYS B 42 -7.694 -3.593 -1.500 1.00 0.00 N ATOM 613 CA LYS B 42 -7.435 -4.260 -0.241 1.00 0.00 C ATOM 614 C LYS B 42 -8.752 -4.338 0.541 1.00 0.00 C ATOM 615 O LYS B 42 -9.524 -3.381 0.481 1.00 0.00 O ATOM 616 CB LYS B 42 -6.353 -3.458 0.482 1.00 0.00 C ATOM 617 CG LYS B 42 -5.782 -4.091 1.748 1.00 0.00 C ATOM 618 CD LYS B 42 -6.614 -3.812 3.010 1.00 0.00 C ATOM 619 CE LYS B 42 -5.806 -4.056 4.285 1.00 0.00 C ATOM 620 NZ LYS B 42 -5.338 -5.450 4.377 1.00 0.00 N ATOM 0 H LYS B 42 -7.338 -2.637 -1.519 1.00 0.00 H new ATOM 0 HA LYS B 42 -7.075 -5.281 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -5.533 -3.283 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -6.765 -2.483 0.742 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -5.709 -5.169 1.603 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -4.769 -3.721 1.903 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -6.965 -2.780 2.994 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -7.498 -4.450 3.012 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -4.949 -3.383 4.307 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -6.419 -3.820 5.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -4.450 -5.483 4.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -6.058 -6.027 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -5.176 -5.826 3.421 1.00 0.00 H new ATOM 634 N PRO B 43 -9.023 -5.447 1.258 1.00 0.00 N ATOM 635 CA PRO B 43 -10.165 -5.621 2.154 1.00 0.00 C ATOM 636 C PRO B 43 -10.501 -4.352 2.948 1.00 0.00 C ATOM 637 O PRO B 43 -9.833 -4.025 3.929 1.00 0.00 O ATOM 638 CB PRO B 43 -9.784 -6.794 3.062 1.00 0.00 C ATOM 639 CG PRO B 43 -8.930 -7.659 2.141 1.00 0.00 C ATOM 640 CD PRO B 43 -8.176 -6.629 1.299 1.00 0.00 C ATOM 0 HA PRO B 43 -11.078 -5.824 1.594 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -9.228 -6.464 3.940 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -10.662 -7.330 3.423 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -8.248 -8.296 2.704 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -9.542 -8.315 1.522 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -7.206 -6.399 1.740 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -7.987 -7.009 0.295 1.00 0.00 H new ATOM 648 N ARG B 44 -11.532 -3.629 2.497 1.00 0.00 N ATOM 649 CA ARG B 44 -11.861 -2.293 2.972 1.00 0.00 C ATOM 650 C ARG B 44 -12.656 -2.370 4.279 1.00 0.00 C ATOM 651 O ARG B 44 -13.858 -2.108 4.309 1.00 0.00 O ATOM 652 CB ARG B 44 -12.587 -1.546 1.843 1.00 0.00 C ATOM 653 CG ARG B 44 -12.535 -0.025 2.033 1.00 0.00 C ATOM 654 CD ARG B 44 -13.281 0.705 0.910 1.00 0.00 C ATOM 655 NE ARG B 44 -12.750 0.361 -0.418 1.00 0.00 N ATOM 656 CZ ARG B 44 -13.338 0.674 -1.584 1.00 0.00 C ATOM 657 NH1 ARG B 44 -14.404 1.486 -1.616 1.00 0.00 N ATOM 658 NH2 ARG B 44 -12.859 0.164 -2.726 1.00 0.00 N ATOM 0 H ARG B 44 -12.170 -3.969 1.777 1.00 0.00 H new ATOM 0 HA ARG B 44 -10.962 -1.727 3.216 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -12.135 -1.807 0.886 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -13.627 -1.871 1.804 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -12.975 0.238 2.995 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -11.496 0.305 2.056 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -14.340 0.452 0.954 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -13.204 1.781 1.064 1.00 0.00 H new ATOM 0 HE ARG B 44 -11.870 -0.153 -0.456 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -14.777 1.873 -0.749 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -14.843 1.717 -2.507 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -12.051 -0.459 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -13.302 0.398 -3.614 1.00 0.00 H new ATOM 672 N GLY B 45 -11.966 -2.744 5.362 1.00 0.00 N ATOM 673 CA GLY B 45 -12.560 -2.960 6.670 1.00 0.00 C ATOM 674 C GLY B 45 -13.284 -4.307 6.691 1.00 0.00 C ATOM 675 O GLY B 45 -14.482 -4.336 6.414 1.00 0.00 O ATOM 0 H GLY B 45 -10.959 -2.906 5.345 1.00 0.00 H new ATOM 0 HA2 GLY B 45 -11.788 -2.939 7.439 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -13.260 -2.156 6.900 1.00 0.00 H new ATOM 679 N PRO B 46 -12.581 -5.412 7.002 1.00 0.00 N ATOM 680 CA PRO B 46 -13.144 -6.754 7.095 1.00 0.00 C ATOM 681 C PRO B 46 -14.347 -6.808 8.045 1.00 0.00 C ATOM 682 O PRO B 46 -14.183 -6.799 9.264 1.00 0.00 O ATOM 683 CB PRO B 46 -11.992 -7.656 7.558 1.00 0.00 C ATOM 684 CG PRO B 46 -10.758 -6.928 7.033 1.00 0.00 C ATOM 685 CD PRO B 46 -11.142 -5.460 7.209 1.00 0.00 C ATOM 0 HA PRO B 46 -13.539 -7.087 6.135 1.00 0.00 H new ATOM 0 HB2 PRO B 46 -11.970 -7.758 8.643 1.00 0.00 H new ATOM 0 HB3 PRO B 46 -12.075 -8.661 7.145 1.00 0.00 H new ATOM 0 HG2 PRO B 46 -9.863 -7.184 7.600 1.00 0.00 H new ATOM 0 HG3 PRO B 46 -10.555 -7.172 5.990 1.00 0.00 H new ATOM 0 HD2 PRO B 46 -10.875 -5.100 8.203 1.00 0.00 H new ATOM 0 HD3 PRO B 46 -10.620 -4.828 6.491 1.00 0.00 H new ATOM 693 N ARG B 47 -15.555 -6.829 7.470 1.00 0.00 N ATOM 694 CA ARG B 47 -16.823 -6.744 8.184 1.00 0.00 C ATOM 695 C ARG B 47 -17.843 -7.659 7.506 1.00 0.00 C ATOM 696 O ARG B 47 -18.410 -8.539 8.150 1.00 0.00 O ATOM 697 CB ARG B 47 -17.325 -5.291 8.176 1.00 0.00 C ATOM 698 CG ARG B 47 -16.546 -4.395 9.148 1.00 0.00 C ATOM 699 CD ARG B 47 -16.884 -2.918 8.923 1.00 0.00 C ATOM 700 NE ARG B 47 -16.331 -2.446 7.646 1.00 0.00 N ATOM 701 CZ ARG B 47 -16.486 -1.213 7.139 1.00 0.00 C ATOM 702 NH1 ARG B 47 -17.218 -0.295 7.785 1.00 0.00 N ATOM 703 NH2 ARG B 47 -15.899 -0.897 5.976 1.00 0.00 N ATOM 0 H ARG B 47 -15.675 -6.908 6.460 1.00 0.00 H new ATOM 0 HA ARG B 47 -16.687 -7.062 9.218 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -17.241 -4.887 7.167 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -18.383 -5.274 8.439 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -16.783 -4.674 10.175 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -15.476 -4.551 9.014 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -17.966 -2.783 8.929 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -16.484 -2.320 9.741 1.00 0.00 H new ATOM 0 HE ARG B 47 -15.784 -3.111 7.099 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -17.664 -0.530 8.672 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -17.329 0.639 7.390 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -15.339 -1.592 5.482 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -16.013 0.038 5.585 1.00 0.00 H new ATOM 717 N GLY B 48 -18.085 -7.430 6.210 1.00 0.00 N ATOM 718 CA GLY B 48 -19.108 -8.125 5.445 1.00 0.00 C ATOM 719 C GLY B 48 -20.504 -7.720 5.924 1.00 0.00 C ATOM 720 O GLY B 48 -21.188 -8.535 6.542 1.00 0.00 O ATOM 0 H GLY B 48 -17.564 -6.745 5.662 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -18.999 -7.892 4.386 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -18.980 -9.202 5.550 1.00 0.00 H new ATOM 724 N PRO B 49 -20.949 -6.483 5.638 1.00 0.00 N ATOM 725 CA PRO B 49 -22.243 -5.963 6.043 1.00 0.00 C ATOM 726 C PRO B 49 -23.252 -6.389 4.976 1.00 0.00 C ATOM 727 O PRO B 49 -23.876 -5.558 4.318 1.00 0.00 O ATOM 728 CB PRO B 49 -22.031 -4.448 6.081 1.00 0.00 C ATOM 729 CG PRO B 49 -21.095 -4.214 4.892 1.00 0.00 C ATOM 730 CD PRO B 49 -20.256 -5.494 4.829 1.00 0.00 C ATOM 0 HA PRO B 49 -22.616 -6.319 7.003 1.00 0.00 H new ATOM 0 HB2 PRO B 49 -22.969 -3.904 5.972 1.00 0.00 H new ATOM 0 HB3 PRO B 49 -21.582 -4.124 7.020 1.00 0.00 H new ATOM 0 HG2 PRO B 49 -21.653 -4.056 3.969 1.00 0.00 H new ATOM 0 HG3 PRO B 49 -20.470 -3.333 5.042 1.00 0.00 H new ATOM 0 HD2 PRO B 49 -20.151 -5.839 3.800 1.00 0.00 H new ATOM 0 HD3 PRO B 49 -19.250 -5.317 5.210 1.00 0.00 H new ATOM 738 N ARG B 50 -23.362 -7.706 4.776 1.00 0.00 N ATOM 739 CA ARG B 50 -24.086 -8.276 3.658 1.00 0.00 C ATOM 740 C ARG B 50 -25.597 -8.009 3.765 1.00 0.00 C ATOM 741 O ARG B 50 -26.088 -7.763 4.866 1.00 0.00 O ATOM 742 CB ARG B 50 -23.771 -9.777 3.560 1.00 0.00 C ATOM 743 CG ARG B 50 -24.193 -10.566 4.809 1.00 0.00 C ATOM 744 CD ARG B 50 -24.143 -12.073 4.542 1.00 0.00 C ATOM 745 NE ARG B 50 -22.780 -12.539 4.263 1.00 0.00 N ATOM 746 CZ ARG B 50 -22.475 -13.736 3.732 1.00 0.00 C ATOM 747 NH1 ARG B 50 -23.437 -14.601 3.375 1.00 0.00 N ATOM 748 NH2 ARG B 50 -21.189 -14.070 3.558 1.00 0.00 N ATOM 0 H ARG B 50 -22.945 -8.402 5.394 1.00 0.00 H new ATOM 0 HA ARG B 50 -23.758 -7.791 2.738 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -24.277 -10.192 2.688 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -22.701 -9.908 3.400 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -23.535 -10.317 5.641 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -25.202 -10.277 5.103 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -24.539 -12.607 5.406 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -24.788 -12.313 3.696 1.00 0.00 H new ATOM 0 HE ARG B 50 -22.009 -11.910 4.488 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -24.418 -14.355 3.505 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -23.187 -15.505 2.974 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -20.452 -13.419 3.828 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -20.947 -14.976 3.156 1.00 0.00 H new ATOM 762 N PRO B 51 -26.350 -8.083 2.650 1.00 0.00 N ATOM 763 CA PRO B 51 -27.805 -7.961 2.635 1.00 0.00 C ATOM 764 C PRO B 51 -28.517 -8.853 3.658 1.00 0.00 C ATOM 765 O PRO B 51 -29.555 -8.461 4.187 1.00 0.00 O ATOM 766 CB PRO B 51 -28.233 -8.308 1.207 1.00 0.00 C ATOM 767 CG PRO B 51 -27.029 -7.866 0.382 1.00 0.00 C ATOM 768 CD PRO B 51 -25.855 -8.235 1.289 1.00 0.00 C ATOM 0 HA PRO B 51 -28.091 -6.950 2.924 1.00 0.00 H new ATOM 0 HB2 PRO B 51 -28.434 -9.373 1.092 1.00 0.00 H new ATOM 0 HB3 PRO B 51 -29.140 -7.779 0.916 1.00 0.00 H new ATOM 0 HG2 PRO B 51 -26.981 -8.384 -0.576 1.00 0.00 H new ATOM 0 HG3 PRO B 51 -27.055 -6.798 0.166 1.00 0.00 H new ATOM 0 HD2 PRO B 51 -25.523 -9.257 1.104 1.00 0.00 H new ATOM 0 HD3 PRO B 51 -25.000 -7.584 1.108 1.00 0.00 H new ATOM 776 N GLN B 52 -27.959 -10.038 3.941 1.00 0.00 N ATOM 777 CA GLN B 52 -28.450 -10.939 4.975 1.00 0.00 C ATOM 778 C GLN B 52 -28.029 -10.406 6.350 1.00 0.00 C ATOM 779 O GLN B 52 -27.162 -10.984 7.005 1.00 0.00 O ATOM 780 CB GLN B 52 -27.902 -12.356 4.744 1.00 0.00 C ATOM 781 CG GLN B 52 -28.198 -12.914 3.347 1.00 0.00 C ATOM 782 CD GLN B 52 -27.556 -14.289 3.182 1.00 0.00 C ATOM 783 OE1 GLN B 52 -26.355 -14.389 2.937 1.00 0.00 O ATOM 784 NE2 GLN B 52 -28.348 -15.354 3.326 1.00 0.00 N ATOM 0 H GLN B 52 -27.142 -10.396 3.447 1.00 0.00 H new ATOM 0 HA GLN B 52 -29.538 -10.988 4.934 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -26.823 -12.348 4.901 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -28.328 -13.026 5.491 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -29.275 -12.987 3.197 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -27.816 -12.233 2.587 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -29.340 -15.228 3.529 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -27.961 -16.293 3.233 1.00 0.00 H new ATOM 793 N THR B 53 -28.635 -9.294 6.775 1.00 0.00 N ATOM 794 CA THR B 53 -28.347 -8.644 8.043 1.00 0.00 C ATOM 795 C THR B 53 -28.929 -9.472 9.190 1.00 0.00 C ATOM 796 O THR B 53 -30.170 -9.635 9.200 1.00 0.00 O ATOM 797 CB THR B 53 -28.928 -7.223 8.039 1.00 0.00 C ATOM 798 OG1 THR B 53 -30.305 -7.266 7.721 1.00 0.00 O ATOM 799 CG2 THR B 53 -28.209 -6.319 7.032 1.00 0.00 C ATOM 800 OXT THR B 53 -28.128 -9.920 10.040 1.00 0.00 O ATOM 0 H THR B 53 -29.353 -8.816 6.231 1.00 0.00 H new ATOM 0 HA THR B 53 -27.268 -8.573 8.184 1.00 0.00 H new ATOM 0 HB THR B 53 -28.785 -6.808 9.037 1.00 0.00 H new ATOM 0 HG1 THR B 53 -30.692 -8.102 8.055 1.00 0.00 H new ATOM 0 HG21 THR B 53 -28.649 -5.322 7.059 1.00 0.00 H new ATOM 0 HG22 THR B 53 -27.152 -6.256 7.290 1.00 0.00 H new ATOM 0 HG23 THR B 53 -28.314 -6.735 6.030 1.00 0.00 H new TER 808 THR B 53 HETATM 809 ZN ZN B 55 -3.726 -0.671 -3.668 1.00 0.00 ZN