USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 657 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 Set 1.1: A 72 CYS SG : rot 180:sc=-0.00262 USER MOD Set 1.2: A 74 CYS SG : rot -46:sc= 0.561 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0238 X(o=-0.024,f=-0.22) USER MOD Single : A 39 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.19 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -150:sc= -3.18 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.443 K(o=-0.44,f=-2.6!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 161:sc= -0.0523 (180deg=-0.54) USER MOD Single : A 102 MET CE :methyl 149:sc= -0.129 (180deg=-1.25) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 29 -10.329 18.456 8.777 1.00 0.00 N ATOM 2 CA LYS A 29 -10.355 17.488 9.910 1.00 0.00 C ATOM 3 C LYS A 29 -10.227 16.064 9.366 1.00 0.00 C ATOM 4 O LYS A 29 -11.207 15.419 9.050 1.00 0.00 O ATOM 5 CB LYS A 29 -11.675 17.627 10.670 1.00 0.00 C ATOM 6 CG LYS A 29 -11.438 17.367 12.159 1.00 0.00 C ATOM 7 CD LYS A 29 -12.782 17.196 12.869 1.00 0.00 C ATOM 8 CE LYS A 29 -12.553 17.080 14.377 1.00 0.00 C ATOM 9 NZ LYS A 29 -13.851 16.806 15.057 1.00 0.00 N ATOM 0 HA LYS A 29 -9.524 17.696 10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.086 18.626 10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.408 16.921 10.279 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.829 16.472 12.290 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.885 18.196 12.600 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.430 18.046 12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.290 16.306 12.498 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.844 16.279 14.587 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.116 18.002 14.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.696 16.727 16.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.514 17.584 14.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.250 15.915 14.698 1.00 0.00 H new ATOM 22 N GLY A 30 -9.025 15.567 9.255 1.00 0.00 N ATOM 23 CA GLY A 30 -8.836 14.184 8.732 1.00 0.00 C ATOM 24 C GLY A 30 -7.354 13.813 8.792 1.00 0.00 C ATOM 25 O GLY A 30 -6.969 12.857 9.437 1.00 0.00 O ATOM 0 H GLY A 30 -8.166 16.058 9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.422 13.478 9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.196 14.120 7.705 1.00 0.00 H new ATOM 29 N ASP A 31 -6.517 14.561 8.127 1.00 0.00 N ATOM 30 CA ASP A 31 -5.060 14.249 8.147 1.00 0.00 C ATOM 31 C ASP A 31 -4.850 12.772 7.809 1.00 0.00 C ATOM 32 O ASP A 31 -4.443 11.987 8.642 1.00 0.00 O ATOM 33 CB ASP A 31 -4.496 14.539 9.540 1.00 0.00 C ATOM 34 CG ASP A 31 -2.975 14.379 9.518 1.00 0.00 C ATOM 35 OD1 ASP A 31 -2.462 13.918 8.513 1.00 0.00 O ATOM 36 OD2 ASP A 31 -2.349 14.722 10.508 1.00 0.00 O ATOM 0 H ASP A 31 -6.779 15.375 7.571 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.546 14.867 7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.762 15.550 9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.933 13.858 10.270 1.00 0.00 H new ATOM 41 N GLY A 32 -5.123 12.388 6.592 1.00 0.00 N ATOM 42 CA GLY A 32 -4.938 10.961 6.202 1.00 0.00 C ATOM 43 C GLY A 32 -3.611 10.802 5.459 1.00 0.00 C ATOM 44 O GLY A 32 -3.239 11.628 4.648 1.00 0.00 O ATOM 0 H GLY A 32 -5.466 13.000 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.949 10.327 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.763 10.637 5.568 1.00 0.00 H new ATOM 48 N VAL A 33 -2.892 9.747 5.728 1.00 0.00 N ATOM 49 CA VAL A 33 -1.589 9.536 5.036 1.00 0.00 C ATOM 50 C VAL A 33 -1.388 8.042 4.772 1.00 0.00 C ATOM 51 O VAL A 33 -1.381 7.237 5.682 1.00 0.00 O ATOM 52 CB VAL A 33 -0.453 10.056 5.918 1.00 0.00 C ATOM 53 CG1 VAL A 33 -0.542 11.580 6.020 1.00 0.00 C ATOM 54 CG2 VAL A 33 -0.574 9.445 7.316 1.00 0.00 C ATOM 0 H VAL A 33 -3.150 9.022 6.397 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.589 10.075 4.089 1.00 0.00 H new ATOM 0 HB VAL A 33 0.505 9.776 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.268 11.950 6.649 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.458 12.017 5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.500 11.860 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.235 9.815 7.946 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.532 9.725 7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.511 8.359 7.245 1.00 0.00 H new ATOM 64 N VAL A 34 -1.224 7.666 3.534 1.00 0.00 N ATOM 65 CA VAL A 34 -1.024 6.224 3.214 1.00 0.00 C ATOM 66 C VAL A 34 0.469 5.946 3.023 1.00 0.00 C ATOM 67 O VAL A 34 1.230 6.818 2.652 1.00 0.00 O ATOM 68 CB VAL A 34 -1.775 5.879 1.927 1.00 0.00 C ATOM 69 CG1 VAL A 34 -2.027 4.371 1.871 1.00 0.00 C ATOM 70 CG2 VAL A 34 -3.114 6.619 1.905 1.00 0.00 C ATOM 0 H VAL A 34 -1.220 8.294 2.730 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.405 5.614 4.033 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.177 6.180 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.562 4.125 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.074 3.842 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.624 4.070 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.650 6.374 0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.711 6.317 2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.936 7.694 1.945 1.00 0.00 H new ATOM 80 N ARG A 35 0.893 4.738 3.275 1.00 0.00 N ATOM 81 CA ARG A 35 2.336 4.406 3.108 1.00 0.00 C ATOM 82 C ARG A 35 2.470 3.025 2.464 1.00 0.00 C ATOM 83 O ARG A 35 2.038 2.030 3.011 1.00 0.00 O ATOM 84 CB ARG A 35 3.020 4.399 4.477 1.00 0.00 C ATOM 85 CG ARG A 35 2.587 5.633 5.271 1.00 0.00 C ATOM 86 CD ARG A 35 3.796 6.223 5.999 1.00 0.00 C ATOM 87 NE ARG A 35 3.356 7.367 6.846 1.00 0.00 N ATOM 88 CZ ARG A 35 3.753 7.451 8.086 1.00 0.00 C ATOM 89 NH1 ARG A 35 3.680 6.408 8.867 1.00 0.00 N ATOM 90 NH2 ARG A 35 4.225 8.578 8.545 1.00 0.00 N ATOM 0 H ARG A 35 0.303 3.967 3.589 1.00 0.00 H new ATOM 0 HA ARG A 35 2.809 5.152 2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.757 3.492 5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.103 4.394 4.354 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.155 6.376 4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.813 5.363 5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.270 5.460 6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.541 6.557 5.277 1.00 0.00 H new ATOM 0 HE ARG A 35 2.744 8.084 6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.313 5.527 8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.990 6.474 9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.283 9.393 7.934 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.535 8.644 9.514 1.00 0.00 H new ATOM 104 N ILE A 36 3.066 2.955 1.305 1.00 0.00 N ATOM 105 CA ILE A 36 3.227 1.638 0.628 1.00 0.00 C ATOM 106 C ILE A 36 4.703 1.414 0.294 1.00 0.00 C ATOM 107 O ILE A 36 5.294 2.145 -0.476 1.00 0.00 O ATOM 108 CB ILE A 36 2.405 1.624 -0.662 1.00 0.00 C ATOM 109 CG1 ILE A 36 0.995 2.146 -0.372 1.00 0.00 C ATOM 110 CG2 ILE A 36 2.317 0.194 -1.197 1.00 0.00 C ATOM 111 CD1 ILE A 36 0.849 3.561 -0.935 1.00 0.00 C ATOM 0 H ILE A 36 3.448 3.753 0.798 1.00 0.00 H new ATOM 0 HA ILE A 36 2.879 0.844 1.289 1.00 0.00 H new ATOM 0 HB ILE A 36 2.885 2.261 -1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.252 1.486 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.811 2.150 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.731 0.185 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.320 -0.180 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.837 -0.443 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.155 3.933 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.582 4.217 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.015 3.543 -2.012 1.00 0.00 H new ATOM 123 N GLN A 37 5.305 0.407 0.867 1.00 0.00 N ATOM 124 CA GLN A 37 6.742 0.137 0.581 1.00 0.00 C ATOM 125 C GLN A 37 6.998 -1.370 0.630 1.00 0.00 C ATOM 126 O GLN A 37 6.129 -2.147 0.973 1.00 0.00 O ATOM 127 CB GLN A 37 7.610 0.836 1.630 1.00 0.00 C ATOM 128 CG GLN A 37 7.337 0.228 3.007 1.00 0.00 C ATOM 129 CD GLN A 37 8.542 0.466 3.919 1.00 0.00 C ATOM 130 OE1 GLN A 37 9.655 0.119 3.577 1.00 0.00 O ATOM 131 NE2 GLN A 37 8.366 1.048 5.073 1.00 0.00 N ATOM 0 H GLN A 37 4.863 -0.240 1.520 1.00 0.00 H new ATOM 0 HA GLN A 37 6.993 0.516 -0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.664 0.728 1.376 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.393 1.904 1.643 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.444 0.675 3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.145 -0.841 2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.432 1.339 5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.163 1.212 5.688 1.00 0.00 H new ATOM 140 N ARG A 38 8.186 -1.791 0.288 1.00 0.00 N ATOM 141 CA ARG A 38 8.496 -3.248 0.315 1.00 0.00 C ATOM 142 C ARG A 38 9.310 -3.573 1.569 1.00 0.00 C ATOM 143 O ARG A 38 10.060 -2.754 2.064 1.00 0.00 O ATOM 144 CB ARG A 38 9.306 -3.619 -0.929 1.00 0.00 C ATOM 145 CG ARG A 38 9.068 -5.091 -1.273 1.00 0.00 C ATOM 146 CD ARG A 38 10.316 -5.666 -1.946 1.00 0.00 C ATOM 147 NE ARG A 38 10.743 -4.765 -3.053 1.00 0.00 N ATOM 148 CZ ARG A 38 11.912 -4.924 -3.610 1.00 0.00 C ATOM 149 NH1 ARG A 38 12.381 -6.125 -3.811 1.00 0.00 N ATOM 150 NH2 ARG A 38 12.613 -3.882 -3.966 1.00 0.00 N ATOM 0 H ARG A 38 8.954 -1.189 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 38 7.567 -3.818 0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.014 -2.987 -1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.367 -3.443 -0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.837 -5.654 -0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.208 -5.186 -1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.120 -5.770 -1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.106 -6.663 -2.334 1.00 0.00 H new ATOM 0 HE ARG A 38 10.121 -4.024 -3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.834 -6.939 -3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.295 -6.249 -4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.247 -2.943 -3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.527 -4.007 -4.401 1.00 0.00 H new ATOM 164 N GLN A 39 9.170 -4.762 2.087 1.00 0.00 N ATOM 165 CA GLN A 39 9.936 -5.138 3.309 1.00 0.00 C ATOM 166 C GLN A 39 10.504 -6.549 3.139 1.00 0.00 C ATOM 167 O GLN A 39 9.784 -7.527 3.176 1.00 0.00 O ATOM 168 CB GLN A 39 9.006 -5.105 4.524 1.00 0.00 C ATOM 169 CG GLN A 39 9.271 -3.836 5.335 1.00 0.00 C ATOM 170 CD GLN A 39 9.000 -4.110 6.816 1.00 0.00 C ATOM 171 OE1 GLN A 39 9.295 -5.179 7.311 1.00 0.00 O ATOM 172 NE2 GLN A 39 8.448 -3.182 7.548 1.00 0.00 N ATOM 0 H GLN A 39 8.558 -5.490 1.717 1.00 0.00 H new ATOM 0 HA GLN A 39 10.753 -4.432 3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.966 -5.131 4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.169 -5.986 5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.303 -3.512 5.197 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.633 -3.026 4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.200 -2.284 7.132 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.264 -3.354 8.536 1.00 0.00 H new ATOM 181 N THR A 40 11.791 -6.662 2.954 1.00 0.00 N ATOM 182 CA THR A 40 12.403 -8.009 2.783 1.00 0.00 C ATOM 183 C THR A 40 12.334 -8.773 4.107 1.00 0.00 C ATOM 184 O THR A 40 11.827 -8.278 5.094 1.00 0.00 O ATOM 185 CB THR A 40 13.866 -7.855 2.359 1.00 0.00 C ATOM 186 OG1 THR A 40 14.540 -7.016 3.286 1.00 0.00 O ATOM 187 CG2 THR A 40 13.931 -7.233 0.963 1.00 0.00 C ATOM 0 H THR A 40 12.444 -5.880 2.914 1.00 0.00 H new ATOM 0 HA THR A 40 11.858 -8.560 2.016 1.00 0.00 H new ATOM 0 HB THR A 40 14.345 -8.834 2.340 1.00 0.00 H new ATOM 0 HG1 THR A 40 15.477 -6.918 3.017 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.973 -7.124 0.662 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.414 -7.878 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.453 -6.254 0.978 1.00 0.00 H new ATOM 195 N SER A 41 12.839 -9.976 4.137 1.00 0.00 N ATOM 196 CA SER A 41 12.801 -10.769 5.398 1.00 0.00 C ATOM 197 C SER A 41 14.016 -11.698 5.453 1.00 0.00 C ATOM 198 O SER A 41 14.772 -11.691 6.404 1.00 0.00 O ATOM 199 CB SER A 41 11.520 -11.602 5.437 1.00 0.00 C ATOM 200 OG SER A 41 10.526 -10.972 4.640 1.00 0.00 O ATOM 0 H SER A 41 13.276 -10.444 3.343 1.00 0.00 H new ATOM 0 HA SER A 41 12.821 -10.094 6.253 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.715 -12.608 5.067 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.169 -11.703 6.464 1.00 0.00 H new ATOM 0 HG SER A 41 9.704 -11.504 4.662 1.00 0.00 H new ATOM 206 N GLY A 42 14.209 -12.498 4.440 1.00 0.00 N ATOM 207 CA GLY A 42 15.374 -13.427 4.436 1.00 0.00 C ATOM 208 C GLY A 42 16.583 -12.728 3.811 1.00 0.00 C ATOM 209 O GLY A 42 17.145 -11.813 4.379 1.00 0.00 O ATOM 0 H GLY A 42 13.611 -12.548 3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.607 -13.739 5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.131 -14.329 3.874 1.00 0.00 H new ATOM 213 N ARG A 43 16.987 -13.152 2.645 1.00 0.00 N ATOM 214 CA ARG A 43 18.159 -12.511 1.985 1.00 0.00 C ATOM 215 C ARG A 43 17.776 -12.087 0.565 1.00 0.00 C ATOM 216 O ARG A 43 18.035 -10.976 0.148 1.00 0.00 O ATOM 217 CB ARG A 43 19.318 -13.508 1.923 1.00 0.00 C ATOM 218 CG ARG A 43 19.523 -14.139 3.302 1.00 0.00 C ATOM 219 CD ARG A 43 20.636 -15.185 3.224 1.00 0.00 C ATOM 220 NE ARG A 43 20.970 -15.658 4.597 1.00 0.00 N ATOM 221 CZ ARG A 43 21.750 -16.692 4.760 1.00 0.00 C ATOM 222 NH1 ARG A 43 21.678 -17.700 3.934 1.00 0.00 N ATOM 223 NH2 ARG A 43 22.602 -16.717 5.748 1.00 0.00 N ATOM 0 H ARG A 43 16.556 -13.914 2.121 1.00 0.00 H new ATOM 0 HA ARG A 43 18.463 -11.634 2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 43 19.107 -14.282 1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 43 20.229 -13.003 1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 43 19.782 -13.371 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 43 18.597 -14.602 3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 43 20.318 -16.025 2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 43 21.519 -14.757 2.750 1.00 0.00 H new ATOM 0 HE ARG A 43 20.589 -15.174 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 43 21.012 -17.680 3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 43 22.287 -18.508 4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 43 22.658 -15.929 6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 43 23.212 -17.525 5.876 1.00 0.00 H new ATOM 237 N LYS A 44 17.161 -12.964 -0.180 1.00 0.00 N ATOM 238 CA LYS A 44 16.762 -12.610 -1.572 1.00 0.00 C ATOM 239 C LYS A 44 15.363 -13.159 -1.857 1.00 0.00 C ATOM 240 O LYS A 44 14.916 -14.100 -1.232 1.00 0.00 O ATOM 241 CB LYS A 44 17.760 -13.221 -2.558 1.00 0.00 C ATOM 242 CG LYS A 44 18.038 -14.674 -2.169 1.00 0.00 C ATOM 243 CD LYS A 44 19.008 -15.297 -3.175 1.00 0.00 C ATOM 244 CE LYS A 44 19.046 -16.813 -2.977 1.00 0.00 C ATOM 245 NZ LYS A 44 20.269 -17.368 -3.622 1.00 0.00 N ATOM 0 H LYS A 44 16.918 -13.910 0.114 1.00 0.00 H new ATOM 0 HA LYS A 44 16.756 -11.526 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.361 -13.175 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 44 18.688 -12.649 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 44 18.461 -14.718 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.107 -15.240 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.695 -15.060 -4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 44 20.005 -14.877 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.043 -17.052 -1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.155 -17.269 -3.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.295 -18.399 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 20.254 -17.152 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 21.113 -16.941 -3.190 1.00 0.00 H new ATOM 259 N GLY A 45 14.668 -12.579 -2.797 1.00 0.00 N ATOM 260 CA GLY A 45 13.299 -13.069 -3.122 1.00 0.00 C ATOM 261 C GLY A 45 12.404 -12.945 -1.888 1.00 0.00 C ATOM 262 O GLY A 45 12.795 -12.393 -0.879 1.00 0.00 O ATOM 0 H GLY A 45 14.989 -11.787 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.881 -12.491 -3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.342 -14.108 -3.450 1.00 0.00 H new ATOM 266 N LYS A 46 11.205 -13.455 -1.959 1.00 0.00 N ATOM 267 CA LYS A 46 10.286 -13.367 -0.789 1.00 0.00 C ATOM 268 C LYS A 46 10.076 -11.898 -0.416 1.00 0.00 C ATOM 269 O LYS A 46 10.192 -11.517 0.732 1.00 0.00 O ATOM 270 CB LYS A 46 10.899 -14.112 0.398 1.00 0.00 C ATOM 271 CG LYS A 46 9.830 -14.980 1.064 1.00 0.00 C ATOM 272 CD LYS A 46 9.231 -15.936 0.030 1.00 0.00 C ATOM 273 CE LYS A 46 7.708 -15.793 0.024 1.00 0.00 C ATOM 274 NZ LYS A 46 7.083 -17.120 0.290 1.00 0.00 N ATOM 0 H LYS A 46 10.822 -13.929 -2.777 1.00 0.00 H new ATOM 0 HA LYS A 46 9.327 -13.818 -1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.729 -14.733 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.305 -13.400 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.267 -15.545 1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.048 -14.350 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.631 -15.715 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.509 -16.963 0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.397 -15.074 0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.372 -15.407 -0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.048 -17.023 0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.371 -17.793 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.394 -17.470 1.218 1.00 0.00 H new ATOM 288 N GLY A 47 9.768 -11.070 -1.377 1.00 0.00 N ATOM 289 CA GLY A 47 9.552 -9.627 -1.075 1.00 0.00 C ATOM 290 C GLY A 47 8.060 -9.302 -1.168 1.00 0.00 C ATOM 291 O GLY A 47 7.383 -9.708 -2.092 1.00 0.00 O ATOM 0 H GLY A 47 9.657 -11.330 -2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.924 -9.394 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.114 -9.010 -1.777 1.00 0.00 H new ATOM 295 N VAL A 48 7.542 -8.573 -0.219 1.00 0.00 N ATOM 296 CA VAL A 48 6.095 -8.222 -0.254 1.00 0.00 C ATOM 297 C VAL A 48 5.926 -6.728 0.028 1.00 0.00 C ATOM 298 O VAL A 48 6.852 -6.054 0.432 1.00 0.00 O ATOM 299 CB VAL A 48 5.348 -9.030 0.809 1.00 0.00 C ATOM 300 CG1 VAL A 48 5.605 -10.522 0.590 1.00 0.00 C ATOM 301 CG2 VAL A 48 5.847 -8.627 2.199 1.00 0.00 C ATOM 0 H VAL A 48 8.059 -8.205 0.580 1.00 0.00 H new ATOM 0 HA VAL A 48 5.688 -8.454 -1.238 1.00 0.00 H new ATOM 0 HB VAL A 48 4.279 -8.830 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.073 -11.098 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.252 -10.811 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.674 -10.722 0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.315 -9.202 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.916 -8.828 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.666 -7.564 2.357 1.00 0.00 H new ATOM 311 N CYS A 49 4.750 -6.203 -0.184 1.00 0.00 N ATOM 312 CA CYS A 49 4.525 -4.752 0.070 1.00 0.00 C ATOM 313 C CYS A 49 3.436 -4.581 1.132 1.00 0.00 C ATOM 314 O CYS A 49 2.299 -4.963 0.937 1.00 0.00 O ATOM 315 CB CYS A 49 4.083 -4.070 -1.226 1.00 0.00 C ATOM 316 SG CYS A 49 5.277 -2.783 -1.667 1.00 0.00 S ATOM 0 H CYS A 49 3.936 -6.716 -0.522 1.00 0.00 H new ATOM 0 HA CYS A 49 5.451 -4.298 0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.009 -4.804 -2.029 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.092 -3.634 -1.101 1.00 0.00 H new ATOM 0 HG CYS A 49 4.671 -1.831 -2.312 1.00 0.00 H new ATOM 322 N LEU A 50 3.775 -4.010 2.255 1.00 0.00 N ATOM 323 CA LEU A 50 2.759 -3.814 3.328 1.00 0.00 C ATOM 324 C LEU A 50 2.123 -2.430 3.180 1.00 0.00 C ATOM 325 O LEU A 50 2.806 -1.431 3.069 1.00 0.00 O ATOM 326 CB LEU A 50 3.435 -3.921 4.696 1.00 0.00 C ATOM 327 CG LEU A 50 3.508 -5.390 5.116 1.00 0.00 C ATOM 328 CD1 LEU A 50 4.922 -5.715 5.600 1.00 0.00 C ATOM 329 CD2 LEU A 50 2.512 -5.644 6.250 1.00 0.00 C ATOM 0 H LEU A 50 4.711 -3.671 2.476 1.00 0.00 H new ATOM 0 HA LEU A 50 1.988 -4.580 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.437 -3.494 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.876 -3.348 5.436 1.00 0.00 H new ATOM 0 HG LEU A 50 3.262 -6.024 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.973 -6.762 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.633 -5.533 4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.169 -5.082 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.562 -6.690 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.760 -5.009 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.503 -5.413 5.907 1.00 0.00 H new ATOM 341 N ILE A 51 0.820 -2.363 3.177 1.00 0.00 N ATOM 342 CA ILE A 51 0.142 -1.043 3.036 1.00 0.00 C ATOM 343 C ILE A 51 -0.527 -0.667 4.359 1.00 0.00 C ATOM 344 O ILE A 51 -1.486 -1.284 4.778 1.00 0.00 O ATOM 345 CB ILE A 51 -0.918 -1.130 1.936 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.231 -1.275 0.576 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.766 0.143 1.944 1.00 0.00 C ATOM 348 CD1 ILE A 51 -1.277 -1.190 -0.536 1.00 0.00 C ATOM 0 H ILE A 51 0.196 -3.165 3.266 1.00 0.00 H new ATOM 0 HA ILE A 51 0.878 -0.283 2.774 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.557 -1.995 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.515 -0.491 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.295 -2.228 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.521 0.082 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.255 0.248 2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.127 1.007 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.788 -1.293 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.007 -1.990 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.783 -0.226 -0.486 1.00 0.00 H new ATOM 360 N THR A 52 -0.029 0.341 5.021 1.00 0.00 N ATOM 361 CA THR A 52 -0.637 0.756 6.316 1.00 0.00 C ATOM 362 C THR A 52 -0.711 2.283 6.378 1.00 0.00 C ATOM 363 O THR A 52 -0.248 2.973 5.492 1.00 0.00 O ATOM 364 CB THR A 52 0.222 0.240 7.473 1.00 0.00 C ATOM 365 OG1 THR A 52 1.551 0.719 7.324 1.00 0.00 O ATOM 366 CG2 THR A 52 0.225 -1.289 7.466 1.00 0.00 C ATOM 0 H THR A 52 0.773 0.895 4.721 1.00 0.00 H new ATOM 0 HA THR A 52 -1.641 0.339 6.396 1.00 0.00 H new ATOM 0 HB THR A 52 -0.189 0.596 8.418 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.102 0.391 8.065 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.837 -1.655 8.290 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.795 -1.655 7.581 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.635 -1.648 6.522 1.00 0.00 H new ATOM 374 N GLY A 53 -1.289 2.817 7.419 1.00 0.00 N ATOM 375 CA GLY A 53 -1.390 4.300 7.537 1.00 0.00 C ATOM 376 C GLY A 53 -2.790 4.752 7.117 1.00 0.00 C ATOM 377 O GLY A 53 -3.198 5.866 7.383 1.00 0.00 O ATOM 0 H GLY A 53 -1.696 2.291 8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.190 4.608 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.638 4.777 6.908 1.00 0.00 H new ATOM 381 N VAL A 54 -3.530 3.898 6.464 1.00 0.00 N ATOM 382 CA VAL A 54 -4.902 4.282 6.028 1.00 0.00 C ATOM 383 C VAL A 54 -5.720 4.720 7.245 1.00 0.00 C ATOM 384 O VAL A 54 -5.892 3.976 8.190 1.00 0.00 O ATOM 385 CB VAL A 54 -5.580 3.082 5.364 1.00 0.00 C ATOM 386 CG1 VAL A 54 -6.890 3.531 4.713 1.00 0.00 C ATOM 387 CG2 VAL A 54 -4.653 2.502 4.294 1.00 0.00 C ATOM 0 H VAL A 54 -3.244 2.952 6.214 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.840 5.105 5.316 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.790 2.321 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.373 2.676 4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.551 3.946 5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.681 4.291 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.135 1.647 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.444 3.263 3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.719 2.182 4.756 1.00 0.00 H new ATOM 397 N ASP A 55 -6.225 5.924 7.230 1.00 0.00 N ATOM 398 CA ASP A 55 -7.030 6.408 8.386 1.00 0.00 C ATOM 399 C ASP A 55 -8.404 6.869 7.894 1.00 0.00 C ATOM 400 O ASP A 55 -8.697 8.047 7.856 1.00 0.00 O ATOM 401 CB ASP A 55 -6.309 7.581 9.054 1.00 0.00 C ATOM 402 CG ASP A 55 -6.951 7.869 10.412 1.00 0.00 C ATOM 403 OD1 ASP A 55 -6.851 7.022 11.284 1.00 0.00 O ATOM 404 OD2 ASP A 55 -7.532 8.932 10.558 1.00 0.00 O ATOM 0 H ASP A 55 -6.115 6.592 6.467 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.154 5.599 9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.252 7.347 9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.365 8.465 8.419 1.00 0.00 H new ATOM 409 N LEU A 56 -9.249 5.948 7.518 1.00 0.00 N ATOM 410 CA LEU A 56 -10.602 6.334 7.029 1.00 0.00 C ATOM 411 C LEU A 56 -11.661 5.844 8.019 1.00 0.00 C ATOM 412 O LEU A 56 -11.346 5.345 9.082 1.00 0.00 O ATOM 413 CB LEU A 56 -10.851 5.698 5.660 1.00 0.00 C ATOM 414 CG LEU A 56 -9.576 5.778 4.820 1.00 0.00 C ATOM 415 CD1 LEU A 56 -9.690 4.828 3.627 1.00 0.00 C ATOM 416 CD2 LEU A 56 -9.389 7.211 4.314 1.00 0.00 C ATOM 0 H LEU A 56 -9.061 4.946 7.528 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.660 7.419 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.155 4.658 5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.667 6.212 5.152 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.720 5.492 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.781 4.885 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.825 3.808 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.546 5.113 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.480 7.270 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.246 7.496 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.308 7.889 5.163 1.00 0.00 H new ATOM 428 N ASP A 57 -12.913 5.981 7.680 1.00 0.00 N ATOM 429 CA ASP A 57 -13.989 5.522 8.603 1.00 0.00 C ATOM 430 C ASP A 57 -13.924 4.001 8.748 1.00 0.00 C ATOM 431 O ASP A 57 -13.344 3.480 9.680 1.00 0.00 O ATOM 432 CB ASP A 57 -15.353 5.922 8.036 1.00 0.00 C ATOM 433 CG ASP A 57 -16.007 6.953 8.958 1.00 0.00 C ATOM 434 OD1 ASP A 57 -15.292 7.800 9.468 1.00 0.00 O ATOM 435 OD2 ASP A 57 -17.211 6.878 9.138 1.00 0.00 O ATOM 0 H ASP A 57 -13.238 6.391 6.804 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.851 5.986 9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.235 6.337 7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.992 5.044 7.944 1.00 0.00 H new ATOM 440 N ASP A 58 -14.514 3.283 7.832 1.00 0.00 N ATOM 441 CA ASP A 58 -14.485 1.795 7.917 1.00 0.00 C ATOM 442 C ASP A 58 -14.688 1.201 6.522 1.00 0.00 C ATOM 443 O ASP A 58 -13.838 0.503 6.005 1.00 0.00 O ATOM 444 CB ASP A 58 -15.605 1.315 8.844 1.00 0.00 C ATOM 445 CG ASP A 58 -15.114 0.119 9.660 1.00 0.00 C ATOM 446 OD1 ASP A 58 -13.946 -0.213 9.545 1.00 0.00 O ATOM 447 OD2 ASP A 58 -15.915 -0.446 10.387 1.00 0.00 O ATOM 0 H ASP A 58 -15.015 3.662 7.028 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.522 1.472 8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.911 2.122 9.510 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.481 1.035 8.259 1.00 0.00 H new ATOM 452 N ALA A 59 -15.807 1.471 5.908 1.00 0.00 N ATOM 453 CA ALA A 59 -16.062 0.921 4.547 1.00 0.00 C ATOM 454 C ALA A 59 -15.063 1.525 3.558 1.00 0.00 C ATOM 455 O ALA A 59 -14.740 0.932 2.548 1.00 0.00 O ATOM 456 CB ALA A 59 -17.486 1.274 4.113 1.00 0.00 C ATOM 0 H ALA A 59 -16.556 2.049 6.290 1.00 0.00 H new ATOM 0 HA ALA A 59 -15.946 -0.163 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -17.673 0.872 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -18.198 0.844 4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -17.603 2.358 4.094 1.00 0.00 H new ATOM 462 N GLU A 60 -14.572 2.701 3.839 1.00 0.00 N ATOM 463 CA GLU A 60 -13.594 3.341 2.915 1.00 0.00 C ATOM 464 C GLU A 60 -12.333 2.480 2.831 1.00 0.00 C ATOM 465 O GLU A 60 -11.781 2.271 1.769 1.00 0.00 O ATOM 466 CB GLU A 60 -13.230 4.731 3.440 1.00 0.00 C ATOM 467 CG GLU A 60 -14.242 5.755 2.922 1.00 0.00 C ATOM 468 CD GLU A 60 -13.529 7.077 2.635 1.00 0.00 C ATOM 469 OE1 GLU A 60 -12.310 7.094 2.687 1.00 0.00 O ATOM 470 OE2 GLU A 60 -14.214 8.051 2.368 1.00 0.00 O ATOM 0 H GLU A 60 -14.806 3.246 4.669 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.037 3.433 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.224 4.729 4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.225 5.002 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.720 5.383 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.031 5.907 3.659 1.00 0.00 H new ATOM 477 N LEU A 61 -11.872 1.976 3.944 1.00 0.00 N ATOM 478 CA LEU A 61 -10.648 1.127 3.925 1.00 0.00 C ATOM 479 C LEU A 61 -10.855 -0.042 2.959 1.00 0.00 C ATOM 480 O LEU A 61 -10.122 -0.210 2.004 1.00 0.00 O ATOM 481 CB LEU A 61 -10.381 0.588 5.333 1.00 0.00 C ATOM 482 CG LEU A 61 -9.664 1.656 6.162 1.00 0.00 C ATOM 483 CD1 LEU A 61 -10.536 2.049 7.356 1.00 0.00 C ATOM 484 CD2 LEU A 61 -8.331 1.099 6.668 1.00 0.00 C ATOM 0 H LEU A 61 -12.290 2.116 4.864 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.796 1.722 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.320 0.311 5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.772 -0.315 5.279 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.481 2.533 5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.024 2.810 7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.486 2.446 6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.720 1.172 7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.820 1.859 7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.515 0.221 7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.708 0.819 5.819 1.00 0.00 H new ATOM 496 N THR A 62 -11.851 -0.850 3.199 1.00 0.00 N ATOM 497 CA THR A 62 -12.108 -2.006 2.295 1.00 0.00 C ATOM 498 C THR A 62 -12.367 -1.497 0.876 1.00 0.00 C ATOM 499 O THR A 62 -12.236 -2.224 -0.089 1.00 0.00 O ATOM 500 CB THR A 62 -13.333 -2.779 2.790 1.00 0.00 C ATOM 501 OG1 THR A 62 -13.538 -3.917 1.964 1.00 0.00 O ATOM 502 CG2 THR A 62 -14.566 -1.875 2.732 1.00 0.00 C ATOM 0 H THR A 62 -12.498 -0.759 3.982 1.00 0.00 H new ATOM 0 HA THR A 62 -11.239 -2.664 2.292 1.00 0.00 H new ATOM 0 HB THR A 62 -13.169 -3.101 3.818 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.321 -4.414 2.280 1.00 0.00 H new ATOM 0 HG21 THR A 62 -15.438 -2.426 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.408 -1.002 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 62 -14.732 -1.552 1.704 1.00 0.00 H new ATOM 510 N LYS A 63 -12.734 -0.252 0.740 1.00 0.00 N ATOM 511 CA LYS A 63 -13.003 0.304 -0.616 1.00 0.00 C ATOM 512 C LYS A 63 -11.685 0.451 -1.379 1.00 0.00 C ATOM 513 O LYS A 63 -11.412 -0.274 -2.315 1.00 0.00 O ATOM 514 CB LYS A 63 -13.668 1.675 -0.480 1.00 0.00 C ATOM 515 CG LYS A 63 -14.673 1.872 -1.616 1.00 0.00 C ATOM 516 CD LYS A 63 -14.517 3.279 -2.197 1.00 0.00 C ATOM 517 CE LYS A 63 -14.940 3.275 -3.667 1.00 0.00 C ATOM 518 NZ LYS A 63 -15.496 4.609 -4.028 1.00 0.00 N ATOM 0 H LYS A 63 -12.859 0.405 1.510 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.664 -0.370 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.173 1.752 0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.913 2.461 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.510 1.126 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.688 1.730 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.127 3.986 -1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.482 3.608 -2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.085 3.042 -4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.686 2.499 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.784 4.606 -5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.322 4.814 -3.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.771 5.339 -3.878 1.00 0.00 H new ATOM 532 N LEU A 64 -10.867 1.389 -0.987 1.00 0.00 N ATOM 533 CA LEU A 64 -9.567 1.590 -1.687 1.00 0.00 C ATOM 534 C LEU A 64 -8.854 0.245 -1.851 1.00 0.00 C ATOM 535 O LEU A 64 -8.142 0.024 -2.811 1.00 0.00 O ATOM 536 CB LEU A 64 -8.690 2.535 -0.862 1.00 0.00 C ATOM 537 CG LEU A 64 -7.814 3.373 -1.796 1.00 0.00 C ATOM 538 CD1 LEU A 64 -7.006 2.449 -2.708 1.00 0.00 C ATOM 539 CD2 LEU A 64 -8.702 4.282 -2.650 1.00 0.00 C ATOM 0 H LEU A 64 -11.043 2.026 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.748 2.022 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.315 3.187 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.064 1.962 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.133 3.982 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.383 3.048 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.372 1.802 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.686 1.838 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.078 4.879 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.384 3.672 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.277 4.943 -2.001 1.00 0.00 H new ATOM 551 N ALA A 65 -9.034 -0.656 -0.922 1.00 0.00 N ATOM 552 CA ALA A 65 -8.358 -1.981 -1.029 1.00 0.00 C ATOM 553 C ALA A 65 -8.935 -2.767 -2.211 1.00 0.00 C ATOM 554 O ALA A 65 -8.210 -3.285 -3.035 1.00 0.00 O ATOM 555 CB ALA A 65 -8.574 -2.774 0.262 1.00 0.00 C ATOM 0 H ALA A 65 -9.619 -0.532 -0.096 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.291 -1.824 -1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.079 -3.742 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.155 -2.221 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.642 -2.925 0.422 1.00 0.00 H new ATOM 561 N ALA A 66 -10.234 -2.867 -2.298 1.00 0.00 N ATOM 562 CA ALA A 66 -10.850 -3.628 -3.425 1.00 0.00 C ATOM 563 C ALA A 66 -10.444 -3.000 -4.761 1.00 0.00 C ATOM 564 O ALA A 66 -10.366 -3.670 -5.772 1.00 0.00 O ATOM 565 CB ALA A 66 -12.373 -3.593 -3.290 1.00 0.00 C ATOM 0 H ALA A 66 -10.895 -2.456 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.502 -4.660 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.824 -4.148 -4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.665 -4.046 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.717 -2.559 -3.319 1.00 0.00 H new ATOM 571 N GLU A 67 -10.192 -1.721 -4.779 1.00 0.00 N ATOM 572 CA GLU A 67 -9.799 -1.059 -6.055 1.00 0.00 C ATOM 573 C GLU A 67 -8.338 -1.380 -6.378 1.00 0.00 C ATOM 574 O GLU A 67 -7.960 -1.503 -7.526 1.00 0.00 O ATOM 575 CB GLU A 67 -9.966 0.455 -5.916 1.00 0.00 C ATOM 576 CG GLU A 67 -10.752 0.996 -7.112 1.00 0.00 C ATOM 577 CD GLU A 67 -11.448 2.300 -6.716 1.00 0.00 C ATOM 578 OE1 GLU A 67 -10.755 3.221 -6.316 1.00 0.00 O ATOM 579 OE2 GLU A 67 -12.662 2.355 -6.819 1.00 0.00 O ATOM 0 H GLU A 67 -10.241 -1.106 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.435 -1.426 -6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.488 0.690 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.989 0.936 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.081 1.170 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.489 0.262 -7.439 1.00 0.00 H new ATOM 586 N LEU A 68 -7.511 -1.512 -5.377 1.00 0.00 N ATOM 587 CA LEU A 68 -6.076 -1.820 -5.637 1.00 0.00 C ATOM 588 C LEU A 68 -5.940 -3.266 -6.121 1.00 0.00 C ATOM 589 O LEU A 68 -5.208 -3.552 -7.047 1.00 0.00 O ATOM 590 CB LEU A 68 -5.266 -1.624 -4.352 1.00 0.00 C ATOM 591 CG LEU A 68 -4.997 -0.131 -4.146 1.00 0.00 C ATOM 592 CD1 LEU A 68 -4.256 0.080 -2.826 1.00 0.00 C ATOM 593 CD2 LEU A 68 -4.140 0.397 -5.300 1.00 0.00 C ATOM 0 H LEU A 68 -7.766 -1.420 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.696 -1.147 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.812 -2.028 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.324 -2.170 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.945 0.406 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.066 1.143 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.865 -0.295 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.308 -0.458 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.948 1.460 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.193 -0.142 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.668 0.250 -6.242 1.00 0.00 H new ATOM 605 N LYS A 69 -6.643 -4.179 -5.509 1.00 0.00 N ATOM 606 CA LYS A 69 -6.552 -5.602 -5.946 1.00 0.00 C ATOM 607 C LYS A 69 -7.268 -5.770 -7.288 1.00 0.00 C ATOM 608 O LYS A 69 -7.263 -6.833 -7.876 1.00 0.00 O ATOM 609 CB LYS A 69 -7.221 -6.504 -4.907 1.00 0.00 C ATOM 610 CG LYS A 69 -6.594 -6.264 -3.533 1.00 0.00 C ATOM 611 CD LYS A 69 -7.225 -7.215 -2.513 1.00 0.00 C ATOM 612 CE LYS A 69 -8.608 -6.696 -2.117 1.00 0.00 C ATOM 613 NZ LYS A 69 -9.524 -7.849 -1.886 1.00 0.00 N ATOM 0 H LYS A 69 -7.275 -4.003 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.503 -5.879 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.291 -6.300 -4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.106 -7.550 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.517 -6.425 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.748 -5.230 -3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.308 -8.216 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.589 -7.294 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.536 -6.089 -1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.006 -6.053 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.465 -7.497 -1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.601 -8.411 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.146 -8.445 -1.122 1.00 0.00 H new ATOM 627 N LYS A 70 -7.894 -4.733 -7.774 1.00 0.00 N ATOM 628 CA LYS A 70 -8.618 -4.841 -9.072 1.00 0.00 C ATOM 629 C LYS A 70 -7.615 -4.881 -10.228 1.00 0.00 C ATOM 630 O LYS A 70 -7.920 -5.350 -11.307 1.00 0.00 O ATOM 631 CB LYS A 70 -9.544 -3.635 -9.238 1.00 0.00 C ATOM 632 CG LYS A 70 -10.954 -4.003 -8.767 1.00 0.00 C ATOM 633 CD LYS A 70 -11.980 -3.460 -9.763 1.00 0.00 C ATOM 634 CE LYS A 70 -13.201 -4.380 -9.799 1.00 0.00 C ATOM 635 NZ LYS A 70 -14.391 -3.604 -10.249 1.00 0.00 N ATOM 0 H LYS A 70 -7.935 -3.816 -7.329 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.207 -5.758 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.166 -2.791 -8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.568 -3.323 -10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.050 -5.085 -8.683 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.138 -3.588 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.281 -2.452 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.536 -3.390 -10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.021 -5.216 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.381 -4.803 -8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.223 -4.228 -10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.565 -2.821 -9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.216 -3.221 -11.200 1.00 0.00 H new ATOM 649 N LYS A 71 -6.422 -4.397 -10.016 1.00 0.00 N ATOM 650 CA LYS A 71 -5.408 -4.414 -11.110 1.00 0.00 C ATOM 651 C LYS A 71 -4.034 -4.752 -10.530 1.00 0.00 C ATOM 652 O LYS A 71 -3.099 -3.983 -10.639 1.00 0.00 O ATOM 653 CB LYS A 71 -5.353 -3.039 -11.779 1.00 0.00 C ATOM 654 CG LYS A 71 -5.584 -3.192 -13.285 1.00 0.00 C ATOM 655 CD LYS A 71 -4.269 -2.960 -14.031 1.00 0.00 C ATOM 656 CE LYS A 71 -3.873 -1.487 -13.921 1.00 0.00 C ATOM 657 NZ LYS A 71 -2.416 -1.344 -14.196 1.00 0.00 N ATOM 0 H LYS A 71 -6.105 -3.991 -9.135 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.686 -5.167 -11.848 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.110 -2.384 -11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.386 -2.572 -11.595 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.968 -4.188 -13.505 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.336 -2.479 -13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.485 -3.591 -13.612 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.378 -3.241 -15.078 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.448 -0.891 -14.629 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.105 -1.110 -12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.145 -0.343 -14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.876 -1.901 -13.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.208 -1.688 -15.155 1.00 0.00 H new ATOM 671 N CYS A 72 -3.902 -5.892 -9.909 1.00 0.00 N ATOM 672 CA CYS A 72 -2.586 -6.266 -9.319 1.00 0.00 C ATOM 673 C CYS A 72 -2.245 -7.718 -9.674 1.00 0.00 C ATOM 674 O CYS A 72 -1.183 -8.209 -9.348 1.00 0.00 O ATOM 675 CB CYS A 72 -2.656 -6.118 -7.799 1.00 0.00 C ATOM 676 SG CYS A 72 -0.985 -5.918 -7.135 1.00 0.00 S ATOM 0 H CYS A 72 -4.646 -6.579 -9.785 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.813 -5.611 -9.720 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.269 -5.257 -7.535 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.131 -6.995 -7.359 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.044 -5.790 -5.843 1.00 0.00 H new ATOM 682 N GLY A 73 -3.133 -8.410 -10.335 1.00 0.00 N ATOM 683 CA GLY A 73 -2.849 -9.828 -10.700 1.00 0.00 C ATOM 684 C GLY A 73 -2.912 -10.705 -9.447 1.00 0.00 C ATOM 685 O GLY A 73 -2.665 -11.894 -9.499 1.00 0.00 O ATOM 0 H GLY A 73 -4.041 -8.056 -10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.573 -10.176 -11.436 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.864 -9.905 -11.161 1.00 0.00 H new ATOM 689 N CYS A 74 -3.240 -10.132 -8.321 1.00 0.00 N ATOM 690 CA CYS A 74 -3.316 -10.937 -7.067 1.00 0.00 C ATOM 691 C CYS A 74 -4.097 -10.158 -6.006 1.00 0.00 C ATOM 692 O CYS A 74 -4.717 -9.154 -6.293 1.00 0.00 O ATOM 693 CB CYS A 74 -1.904 -11.233 -6.547 1.00 0.00 C ATOM 694 SG CYS A 74 -0.765 -9.914 -7.045 1.00 0.00 S ATOM 0 H CYS A 74 -3.459 -9.141 -8.214 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.824 -11.878 -7.278 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.919 -11.319 -5.461 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.558 -12.190 -6.938 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.951 -9.631 -8.300 1.00 0.00 H new ATOM 700 N GLY A 75 -4.076 -10.614 -4.783 1.00 0.00 N ATOM 701 CA GLY A 75 -4.821 -9.897 -3.709 1.00 0.00 C ATOM 702 C GLY A 75 -4.002 -9.902 -2.416 1.00 0.00 C ATOM 703 O GLY A 75 -2.928 -9.336 -2.345 1.00 0.00 O ATOM 0 H GLY A 75 -3.576 -11.450 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.024 -8.871 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.785 -10.376 -3.541 1.00 0.00 H new ATOM 707 N GLY A 76 -4.504 -10.536 -1.389 1.00 0.00 N ATOM 708 CA GLY A 76 -3.762 -10.578 -0.097 1.00 0.00 C ATOM 709 C GLY A 76 -4.760 -10.520 1.063 1.00 0.00 C ATOM 710 O GLY A 76 -5.957 -10.591 0.866 1.00 0.00 O ATOM 0 H GLY A 76 -5.398 -11.027 -1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.168 -11.490 -0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.067 -9.740 -0.036 1.00 0.00 H new ATOM 714 N ALA A 77 -4.279 -10.393 2.270 1.00 0.00 N ATOM 715 CA ALA A 77 -5.204 -10.331 3.438 1.00 0.00 C ATOM 716 C ALA A 77 -5.637 -8.882 3.669 1.00 0.00 C ATOM 717 O ALA A 77 -4.819 -7.993 3.799 1.00 0.00 O ATOM 718 CB ALA A 77 -4.491 -10.856 4.686 1.00 0.00 C ATOM 0 H ALA A 77 -3.287 -10.330 2.498 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.082 -10.946 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.169 -10.810 5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.184 -11.889 4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.612 -10.244 4.888 1.00 0.00 H new ATOM 724 N VAL A 78 -6.917 -8.635 3.720 1.00 0.00 N ATOM 725 CA VAL A 78 -7.395 -7.242 3.941 1.00 0.00 C ATOM 726 C VAL A 78 -7.768 -7.056 5.412 1.00 0.00 C ATOM 727 O VAL A 78 -8.902 -7.249 5.805 1.00 0.00 O ATOM 728 CB VAL A 78 -8.621 -6.982 3.067 1.00 0.00 C ATOM 729 CG1 VAL A 78 -8.205 -6.972 1.595 1.00 0.00 C ATOM 730 CG2 VAL A 78 -9.655 -8.087 3.298 1.00 0.00 C ATOM 0 H VAL A 78 -7.651 -9.336 3.618 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.604 -6.540 3.677 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.056 -6.017 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.079 -6.787 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.468 -6.186 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.770 -7.937 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.530 -7.902 2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.221 -9.052 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.951 -8.094 4.347 1.00 0.00 H new ATOM 740 N LYS A 79 -6.824 -6.678 6.230 1.00 0.00 N ATOM 741 CA LYS A 79 -7.127 -6.477 7.675 1.00 0.00 C ATOM 742 C LYS A 79 -7.522 -5.018 7.912 1.00 0.00 C ATOM 743 O LYS A 79 -7.051 -4.121 7.242 1.00 0.00 O ATOM 744 CB LYS A 79 -5.888 -6.813 8.508 1.00 0.00 C ATOM 745 CG LYS A 79 -6.242 -7.885 9.541 1.00 0.00 C ATOM 746 CD LYS A 79 -5.468 -9.168 9.232 1.00 0.00 C ATOM 747 CE LYS A 79 -5.984 -10.303 10.119 1.00 0.00 C ATOM 748 NZ LYS A 79 -4.864 -11.235 10.435 1.00 0.00 N ATOM 0 H LYS A 79 -5.857 -6.500 5.960 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.949 -7.129 7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.087 -7.168 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.520 -5.918 9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.998 -7.533 10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.314 -8.081 9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.586 -9.432 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.403 -9.013 9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.404 -9.897 11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.786 -10.840 9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.214 -12.007 11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.482 -11.631 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.113 -10.718 10.936 1.00 0.00 H new ATOM 762 N ASP A 80 -8.385 -4.772 8.861 1.00 0.00 N ATOM 763 CA ASP A 80 -8.808 -3.370 9.138 1.00 0.00 C ATOM 764 C ASP A 80 -7.650 -2.603 9.780 1.00 0.00 C ATOM 765 O ASP A 80 -7.507 -2.570 10.986 1.00 0.00 O ATOM 766 CB ASP A 80 -10.004 -3.379 10.091 1.00 0.00 C ATOM 767 CG ASP A 80 -10.579 -1.967 10.205 1.00 0.00 C ATOM 768 OD1 ASP A 80 -10.884 -1.387 9.175 1.00 0.00 O ATOM 769 OD2 ASP A 80 -10.707 -1.489 11.320 1.00 0.00 O ATOM 0 H ASP A 80 -8.815 -5.481 9.455 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.090 -2.884 8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.768 -4.065 9.726 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.697 -3.738 11.073 1.00 0.00 H new ATOM 774 N GLY A 81 -6.823 -1.984 8.982 1.00 0.00 N ATOM 775 CA GLY A 81 -5.675 -1.216 9.544 1.00 0.00 C ATOM 776 C GLY A 81 -4.367 -1.733 8.941 1.00 0.00 C ATOM 777 O GLY A 81 -3.323 -1.131 9.093 1.00 0.00 O ATOM 0 H GLY A 81 -6.893 -1.977 7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.793 -0.155 9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.652 -1.318 10.629 1.00 0.00 H new ATOM 781 N VAL A 82 -4.416 -2.843 8.257 1.00 0.00 N ATOM 782 CA VAL A 82 -3.175 -3.398 7.643 1.00 0.00 C ATOM 783 C VAL A 82 -3.551 -4.296 6.463 1.00 0.00 C ATOM 784 O VAL A 82 -4.276 -5.259 6.610 1.00 0.00 O ATOM 785 CB VAL A 82 -2.413 -4.217 8.686 1.00 0.00 C ATOM 786 CG1 VAL A 82 -1.222 -4.912 8.023 1.00 0.00 C ATOM 787 CG2 VAL A 82 -1.907 -3.287 9.791 1.00 0.00 C ATOM 0 H VAL A 82 -5.262 -3.390 8.096 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.544 -2.581 7.292 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.078 -4.967 9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.680 -5.495 8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.580 -5.574 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.556 -4.163 7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.364 -3.869 10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.243 -2.538 9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.754 -2.791 10.265 1.00 0.00 H new ATOM 797 N ILE A 83 -3.068 -3.986 5.291 1.00 0.00 N ATOM 798 CA ILE A 83 -3.403 -4.821 4.103 1.00 0.00 C ATOM 799 C ILE A 83 -2.121 -5.406 3.507 1.00 0.00 C ATOM 800 O ILE A 83 -1.184 -4.693 3.205 1.00 0.00 O ATOM 801 CB ILE A 83 -4.102 -3.953 3.056 1.00 0.00 C ATOM 802 CG1 ILE A 83 -5.428 -3.440 3.623 1.00 0.00 C ATOM 803 CG2 ILE A 83 -4.374 -4.785 1.801 1.00 0.00 C ATOM 804 CD1 ILE A 83 -5.692 -2.026 3.104 1.00 0.00 C ATOM 0 H ILE A 83 -2.456 -3.191 5.105 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.063 -5.634 4.405 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.463 -3.108 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.242 -4.104 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.393 -3.438 4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.872 -4.166 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.431 -5.152 1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.013 -5.630 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.636 -1.661 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.883 -1.366 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.745 -2.042 2.015 1.00 0.00 H new ATOM 816 N GLU A 84 -2.073 -6.698 3.332 1.00 0.00 N ATOM 817 CA GLU A 84 -0.852 -7.327 2.753 1.00 0.00 C ATOM 818 C GLU A 84 -1.011 -7.438 1.235 1.00 0.00 C ATOM 819 O GLU A 84 -1.926 -8.066 0.742 1.00 0.00 O ATOM 820 CB GLU A 84 -0.662 -8.723 3.349 1.00 0.00 C ATOM 821 CG GLU A 84 -0.978 -8.690 4.846 1.00 0.00 C ATOM 822 CD GLU A 84 -0.595 -10.028 5.480 1.00 0.00 C ATOM 823 OE1 GLU A 84 -0.254 -10.936 4.740 1.00 0.00 O ATOM 824 OE2 GLU A 84 -0.649 -10.122 6.695 1.00 0.00 O ATOM 0 H GLU A 84 -2.826 -7.345 3.565 1.00 0.00 H new ATOM 0 HA GLU A 84 0.018 -6.714 2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.314 -9.436 2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.362 -9.061 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.431 -7.879 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.039 -8.493 5.000 1.00 0.00 H new ATOM 831 N ILE A 85 -0.127 -6.832 0.491 1.00 0.00 N ATOM 832 CA ILE A 85 -0.229 -6.903 -0.994 1.00 0.00 C ATOM 833 C ILE A 85 1.104 -7.377 -1.577 1.00 0.00 C ATOM 834 O ILE A 85 1.823 -6.621 -2.199 1.00 0.00 O ATOM 835 CB ILE A 85 -0.564 -5.518 -1.550 1.00 0.00 C ATOM 836 CG1 ILE A 85 -1.895 -5.041 -0.964 1.00 0.00 C ATOM 837 CG2 ILE A 85 -0.677 -5.591 -3.073 1.00 0.00 C ATOM 838 CD1 ILE A 85 -3.015 -5.988 -1.401 1.00 0.00 C ATOM 0 H ILE A 85 0.661 -6.291 0.847 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.016 -7.605 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 85 0.226 -4.818 -1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.835 -5.010 0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.110 -4.027 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.916 -4.603 -3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.270 -5.930 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.466 -6.291 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.963 -5.648 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.080 -5.997 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.801 -6.995 -1.042 1.00 0.00 H new ATOM 850 N GLN A 86 1.439 -8.623 -1.382 1.00 0.00 N ATOM 851 CA GLN A 86 2.726 -9.141 -1.927 1.00 0.00 C ATOM 852 C GLN A 86 2.835 -8.775 -3.408 1.00 0.00 C ATOM 853 O GLN A 86 1.852 -8.472 -4.057 1.00 0.00 O ATOM 854 CB GLN A 86 2.769 -10.662 -1.772 1.00 0.00 C ATOM 855 CG GLN A 86 1.536 -11.279 -2.434 1.00 0.00 C ATOM 856 CD GLN A 86 1.976 -12.339 -3.446 1.00 0.00 C ATOM 857 OE1 GLN A 86 3.103 -12.333 -3.897 1.00 0.00 O ATOM 858 NE2 GLN A 86 1.127 -13.256 -3.823 1.00 0.00 N ATOM 0 H GLN A 86 0.878 -9.304 -0.870 1.00 0.00 H new ATOM 0 HA GLN A 86 3.558 -8.697 -1.381 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.676 -11.059 -2.228 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.800 -10.930 -0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 86 0.891 -11.728 -1.679 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.952 -10.505 -2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 86 0.180 -13.261 -3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.411 -13.968 -4.497 1.00 0.00 H new ATOM 867 N GLY A 87 4.022 -8.801 -3.950 1.00 0.00 N ATOM 868 CA GLY A 87 4.191 -8.454 -5.390 1.00 0.00 C ATOM 869 C GLY A 87 5.250 -7.359 -5.532 1.00 0.00 C ATOM 870 O GLY A 87 6.063 -7.152 -4.653 1.00 0.00 O ATOM 0 H GLY A 87 4.881 -9.047 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.488 -9.337 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.243 -8.114 -5.806 1.00 0.00 H new ATOM 874 N ASP A 88 5.248 -6.656 -6.631 1.00 0.00 N ATOM 875 CA ASP A 88 6.255 -5.575 -6.827 1.00 0.00 C ATOM 876 C ASP A 88 5.677 -4.498 -7.747 1.00 0.00 C ATOM 877 O ASP A 88 5.757 -4.593 -8.956 1.00 0.00 O ATOM 878 CB ASP A 88 7.518 -6.162 -7.461 1.00 0.00 C ATOM 879 CG ASP A 88 8.727 -5.848 -6.579 1.00 0.00 C ATOM 880 OD1 ASP A 88 8.536 -5.669 -5.387 1.00 0.00 O ATOM 881 OD2 ASP A 88 9.825 -5.793 -7.109 1.00 0.00 O ATOM 0 H ASP A 88 4.592 -6.783 -7.402 1.00 0.00 H new ATOM 0 HA ASP A 88 6.504 -5.133 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.411 -7.240 -7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.664 -5.746 -8.458 1.00 0.00 H new ATOM 886 N LYS A 89 5.094 -3.475 -7.185 1.00 0.00 N ATOM 887 CA LYS A 89 4.512 -2.394 -8.029 1.00 0.00 C ATOM 888 C LYS A 89 4.522 -1.078 -7.249 1.00 0.00 C ATOM 889 O LYS A 89 3.689 -0.217 -7.453 1.00 0.00 O ATOM 890 CB LYS A 89 3.072 -2.756 -8.401 1.00 0.00 C ATOM 891 CG LYS A 89 3.067 -3.552 -9.707 1.00 0.00 C ATOM 892 CD LYS A 89 1.639 -3.637 -10.249 1.00 0.00 C ATOM 893 CE LYS A 89 1.657 -4.270 -11.641 1.00 0.00 C ATOM 894 NZ LYS A 89 0.294 -4.194 -12.241 1.00 0.00 N ATOM 0 H LYS A 89 4.996 -3.341 -6.179 1.00 0.00 H new ATOM 0 HA LYS A 89 5.104 -2.283 -8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.616 -3.342 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.475 -1.851 -8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.717 -3.073 -10.439 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.462 -4.553 -9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.018 -4.230 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.197 -2.642 -10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.375 -3.753 -12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.979 -5.309 -11.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.307 -4.625 -13.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.380 -4.706 -11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.003 -3.198 -12.318 1.00 0.00 H new ATOM 908 N ARG A 90 5.458 -0.915 -6.355 1.00 0.00 N ATOM 909 CA ARG A 90 5.520 0.345 -5.562 1.00 0.00 C ATOM 910 C ARG A 90 5.438 1.546 -6.506 1.00 0.00 C ATOM 911 O ARG A 90 4.811 2.543 -6.205 1.00 0.00 O ATOM 912 CB ARG A 90 6.838 0.396 -4.786 1.00 0.00 C ATOM 913 CG ARG A 90 6.755 -0.534 -3.575 1.00 0.00 C ATOM 914 CD ARG A 90 8.165 -0.939 -3.144 1.00 0.00 C ATOM 915 NE ARG A 90 9.083 0.226 -3.289 1.00 0.00 N ATOM 916 CZ ARG A 90 10.370 0.034 -3.383 1.00 0.00 C ATOM 917 NH1 ARG A 90 10.927 -0.968 -2.760 1.00 0.00 N ATOM 918 NH2 ARG A 90 11.100 0.844 -4.100 1.00 0.00 N ATOM 0 H ARG A 90 6.183 -1.600 -6.139 1.00 0.00 H new ATOM 0 HA ARG A 90 4.685 0.375 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.664 0.097 -5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.041 1.416 -4.461 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.242 -0.034 -2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.171 -1.420 -3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.156 -1.282 -2.109 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.518 -1.772 -3.753 1.00 0.00 H new ATOM 0 HE ARG A 90 8.705 1.173 -3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.356 -1.601 -2.200 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.933 -1.118 -2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.664 1.627 -4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.106 0.694 -4.173 1.00 0.00 H new ATOM 932 N ASP A 91 6.065 1.460 -7.647 1.00 0.00 N ATOM 933 CA ASP A 91 6.022 2.596 -8.610 1.00 0.00 C ATOM 934 C ASP A 91 4.565 2.949 -8.918 1.00 0.00 C ATOM 935 O ASP A 91 4.133 4.067 -8.725 1.00 0.00 O ATOM 936 CB ASP A 91 6.735 2.196 -9.903 1.00 0.00 C ATOM 937 CG ASP A 91 7.107 3.452 -10.692 1.00 0.00 C ATOM 938 OD1 ASP A 91 6.763 4.533 -10.243 1.00 0.00 O ATOM 939 OD2 ASP A 91 7.730 3.312 -11.732 1.00 0.00 O ATOM 0 H ASP A 91 6.606 0.651 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 91 6.521 3.461 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.631 1.620 -9.673 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.089 1.555 -10.503 1.00 0.00 H new ATOM 944 N LEU A 92 3.805 2.002 -9.396 1.00 0.00 N ATOM 945 CA LEU A 92 2.377 2.284 -9.716 1.00 0.00 C ATOM 946 C LEU A 92 1.634 2.671 -8.435 1.00 0.00 C ATOM 947 O LEU A 92 0.598 3.303 -8.474 1.00 0.00 O ATOM 948 CB LEU A 92 1.733 1.035 -10.322 1.00 0.00 C ATOM 949 CG LEU A 92 0.552 1.446 -11.202 1.00 0.00 C ATOM 950 CD1 LEU A 92 0.945 1.320 -12.675 1.00 0.00 C ATOM 951 CD2 LEU A 92 -0.639 0.530 -10.913 1.00 0.00 C ATOM 0 H LEU A 92 4.111 1.046 -9.579 1.00 0.00 H new ATOM 0 HA LEU A 92 2.320 3.105 -10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.466 0.485 -10.912 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.395 0.367 -9.530 1.00 0.00 H new ATOM 0 HG LEU A 92 0.279 2.479 -10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.103 1.613 -13.302 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.795 1.970 -12.882 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.217 0.287 -12.892 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.482 0.821 -11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.365 -0.502 -11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.919 0.618 -9.863 1.00 0.00 H new ATOM 963 N LEU A 93 2.156 2.296 -7.299 1.00 0.00 N ATOM 964 CA LEU A 93 1.479 2.643 -6.018 1.00 0.00 C ATOM 965 C LEU A 93 1.571 4.153 -5.785 1.00 0.00 C ATOM 966 O LEU A 93 0.619 4.786 -5.375 1.00 0.00 O ATOM 967 CB LEU A 93 2.163 1.907 -4.864 1.00 0.00 C ATOM 968 CG LEU A 93 1.222 0.833 -4.315 1.00 0.00 C ATOM 969 CD1 LEU A 93 -0.014 1.499 -3.708 1.00 0.00 C ATOM 970 CD2 LEU A 93 0.794 -0.098 -5.451 1.00 0.00 C ATOM 0 H LEU A 93 3.021 1.765 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 93 0.431 2.346 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.091 1.451 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.428 2.611 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 93 1.737 0.256 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.684 0.734 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.291 2.163 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.530 2.076 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.123 -0.864 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.279 0.478 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.675 -0.573 -5.883 1.00 0.00 H new ATOM 982 N LYS A 94 2.710 4.734 -6.044 1.00 0.00 N ATOM 983 CA LYS A 94 2.861 6.202 -5.837 1.00 0.00 C ATOM 984 C LYS A 94 2.019 6.952 -6.870 1.00 0.00 C ATOM 985 O LYS A 94 1.634 8.086 -6.667 1.00 0.00 O ATOM 986 CB LYS A 94 4.332 6.592 -5.998 1.00 0.00 C ATOM 987 CG LYS A 94 4.613 7.868 -5.202 1.00 0.00 C ATOM 988 CD LYS A 94 5.602 8.744 -5.973 1.00 0.00 C ATOM 989 CE LYS A 94 6.107 9.866 -5.064 1.00 0.00 C ATOM 990 NZ LYS A 94 6.855 10.865 -5.879 1.00 0.00 N ATOM 0 H LYS A 94 3.542 4.256 -6.390 1.00 0.00 H new ATOM 0 HA LYS A 94 2.524 6.464 -4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.974 5.784 -5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.564 6.749 -7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.685 8.414 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.021 7.616 -4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.440 8.142 -6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.120 9.165 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.268 10.346 -4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.753 9.457 -4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.199 11.629 -5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.664 10.401 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.225 11.263 -6.604 1.00 0.00 H new ATOM 1004 N SER A 95 1.728 6.328 -7.979 1.00 0.00 N ATOM 1005 CA SER A 95 0.911 7.006 -9.024 1.00 0.00 C ATOM 1006 C SER A 95 -0.552 7.051 -8.577 1.00 0.00 C ATOM 1007 O SER A 95 -1.122 8.108 -8.392 1.00 0.00 O ATOM 1008 CB SER A 95 1.018 6.231 -10.337 1.00 0.00 C ATOM 1009 OG SER A 95 1.761 6.998 -11.276 1.00 0.00 O ATOM 0 H SER A 95 2.021 5.378 -8.206 1.00 0.00 H new ATOM 0 HA SER A 95 1.278 8.022 -9.170 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.506 5.271 -10.167 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.024 6.019 -10.729 1.00 0.00 H new ATOM 0 HG SER A 95 1.833 6.503 -12.119 1.00 0.00 H new ATOM 1015 N LEU A 96 -1.165 5.912 -8.403 1.00 0.00 N ATOM 1016 CA LEU A 96 -2.590 5.891 -7.969 1.00 0.00 C ATOM 1017 C LEU A 96 -2.746 6.721 -6.693 1.00 0.00 C ATOM 1018 O LEU A 96 -3.743 7.385 -6.492 1.00 0.00 O ATOM 1019 CB LEU A 96 -3.018 4.448 -7.694 1.00 0.00 C ATOM 1020 CG LEU A 96 -2.018 3.792 -6.740 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -2.520 3.928 -5.302 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -1.877 2.309 -7.092 1.00 0.00 C ATOM 0 H LEU A 96 -0.740 4.995 -8.543 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.216 6.312 -8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.017 4.431 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.067 3.888 -8.628 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.049 4.283 -6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.808 3.461 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.622 4.984 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.488 3.437 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.165 1.840 -6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.846 1.819 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.520 2.211 -8.117 1.00 0.00 H new ATOM 1034 N LEU A 97 -1.768 6.689 -5.830 1.00 0.00 N ATOM 1035 CA LEU A 97 -1.862 7.477 -4.569 1.00 0.00 C ATOM 1036 C LEU A 97 -1.929 8.968 -4.903 1.00 0.00 C ATOM 1037 O LEU A 97 -2.813 9.674 -4.459 1.00 0.00 O ATOM 1038 CB LEU A 97 -0.629 7.203 -3.704 1.00 0.00 C ATOM 1039 CG LEU A 97 -1.071 6.861 -2.280 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -1.793 8.062 -1.666 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -2.019 5.661 -2.316 1.00 0.00 C ATOM 0 H LEU A 97 -0.908 6.152 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.760 7.186 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.052 6.380 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.023 8.077 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.196 6.617 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.108 7.818 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.119 8.918 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.668 8.307 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.335 5.416 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.893 5.906 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.505 4.805 -2.753 1.00 0.00 H new ATOM 1053 N GLU A 98 -1.002 9.453 -5.683 1.00 0.00 N ATOM 1054 CA GLU A 98 -1.015 10.899 -6.044 1.00 0.00 C ATOM 1055 C GLU A 98 -2.286 11.215 -6.835 1.00 0.00 C ATOM 1056 O GLU A 98 -2.669 12.359 -6.982 1.00 0.00 O ATOM 1057 CB GLU A 98 0.211 11.221 -6.901 1.00 0.00 C ATOM 1058 CG GLU A 98 0.618 12.680 -6.683 1.00 0.00 C ATOM 1059 CD GLU A 98 1.950 12.949 -7.385 1.00 0.00 C ATOM 1060 OE1 GLU A 98 2.426 12.060 -8.072 1.00 0.00 O ATOM 1061 OE2 GLU A 98 2.473 14.039 -7.224 1.00 0.00 O ATOM 0 H GLU A 98 -0.237 8.911 -6.085 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.992 11.501 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.036 10.559 -6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.013 11.048 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.152 13.346 -7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.708 12.888 -5.617 1.00 0.00 H new ATOM 1068 N ALA A 99 -2.944 10.210 -7.345 1.00 0.00 N ATOM 1069 CA ALA A 99 -4.190 10.455 -8.125 1.00 0.00 C ATOM 1070 C ALA A 99 -5.267 11.026 -7.201 1.00 0.00 C ATOM 1071 O ALA A 99 -6.056 11.862 -7.594 1.00 0.00 O ATOM 1072 CB ALA A 99 -4.682 9.136 -8.727 1.00 0.00 C ATOM 0 H ALA A 99 -2.673 9.231 -7.255 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.984 11.166 -8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.593 9.314 -9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.915 8.728 -9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.888 8.425 -7.927 1.00 0.00 H new ATOM 1078 N LYS A 100 -5.306 10.582 -5.974 1.00 0.00 N ATOM 1079 CA LYS A 100 -6.332 11.101 -5.026 1.00 0.00 C ATOM 1080 C LYS A 100 -5.871 12.445 -4.460 1.00 0.00 C ATOM 1081 O LYS A 100 -6.656 13.353 -4.272 1.00 0.00 O ATOM 1082 CB LYS A 100 -6.520 10.103 -3.882 1.00 0.00 C ATOM 1083 CG LYS A 100 -7.501 9.010 -4.312 1.00 0.00 C ATOM 1084 CD LYS A 100 -6.740 7.896 -5.034 1.00 0.00 C ATOM 1085 CE LYS A 100 -7.710 6.772 -5.403 1.00 0.00 C ATOM 1086 NZ LYS A 100 -8.759 7.301 -6.320 1.00 0.00 N ATOM 0 H LYS A 100 -4.672 9.883 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.278 11.234 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.562 9.660 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.896 10.616 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.017 8.607 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.263 9.429 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.264 8.289 -5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.946 7.510 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.171 5.955 -5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.171 6.365 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.214 6.511 -6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.473 7.819 -5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.323 7.944 -7.012 1.00 0.00 H new ATOM 1100 N GLY A 101 -4.602 12.580 -4.187 1.00 0.00 N ATOM 1101 CA GLY A 101 -4.092 13.867 -3.633 1.00 0.00 C ATOM 1102 C GLY A 101 -3.707 13.675 -2.166 1.00 0.00 C ATOM 1103 O GLY A 101 -3.516 14.627 -1.435 1.00 0.00 O ATOM 0 H GLY A 101 -3.897 11.856 -4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.228 14.204 -4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.855 14.641 -3.721 1.00 0.00 H new ATOM 1107 N MET A 102 -3.591 12.451 -1.728 1.00 0.00 N ATOM 1108 CA MET A 102 -3.218 12.200 -0.307 1.00 0.00 C ATOM 1109 C MET A 102 -1.695 12.121 -0.186 1.00 0.00 C ATOM 1110 O MET A 102 -0.998 11.875 -1.150 1.00 0.00 O ATOM 1111 CB MET A 102 -3.836 10.879 0.156 1.00 0.00 C ATOM 1112 CG MET A 102 -5.275 10.782 -0.352 1.00 0.00 C ATOM 1113 SD MET A 102 -6.266 9.823 0.821 1.00 0.00 S ATOM 1114 CE MET A 102 -5.697 8.183 0.311 1.00 0.00 C ATOM 0 H MET A 102 -3.738 11.614 -2.293 1.00 0.00 H new ATOM 0 HA MET A 102 -3.590 13.013 0.316 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.250 10.040 -0.219 1.00 0.00 H new ATOM 0 HB3 MET A 102 -3.819 10.819 1.244 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.698 11.780 -0.471 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.294 10.308 -1.333 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.711 7.510 1.168 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.356 7.794 -0.466 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.681 8.255 -0.078 1.00 0.00 H new ATOM 1124 N LYS A 103 -1.173 12.329 0.992 1.00 0.00 N ATOM 1125 CA LYS A 103 0.305 12.266 1.174 1.00 0.00 C ATOM 1126 C LYS A 103 0.740 10.805 1.303 1.00 0.00 C ATOM 1127 O LYS A 103 0.318 10.098 2.197 1.00 0.00 O ATOM 1128 CB LYS A 103 0.696 13.029 2.441 1.00 0.00 C ATOM 1129 CG LYS A 103 1.442 14.308 2.057 1.00 0.00 C ATOM 1130 CD LYS A 103 1.794 15.094 3.321 1.00 0.00 C ATOM 1131 CE LYS A 103 2.425 16.432 2.933 1.00 0.00 C ATOM 1132 NZ LYS A 103 3.101 17.026 4.121 1.00 0.00 N ATOM 0 H LYS A 103 -1.706 12.540 1.836 1.00 0.00 H new ATOM 0 HA LYS A 103 0.797 12.717 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -0.194 13.275 3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.326 12.404 3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 103 2.349 14.061 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.824 14.918 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.898 15.262 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.485 14.520 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.144 16.287 2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.660 17.112 2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.530 17.936 3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.403 17.178 4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.842 16.379 4.459 1.00 0.00 H new ATOM 1146 N VAL A 104 1.583 10.346 0.418 1.00 0.00 N ATOM 1147 CA VAL A 104 2.044 8.931 0.492 1.00 0.00 C ATOM 1148 C VAL A 104 3.550 8.899 0.764 1.00 0.00 C ATOM 1149 O VAL A 104 4.297 9.721 0.271 1.00 0.00 O ATOM 1150 CB VAL A 104 1.751 8.230 -0.835 1.00 0.00 C ATOM 1151 CG1 VAL A 104 2.298 9.070 -1.990 1.00 0.00 C ATOM 1152 CG2 VAL A 104 2.424 6.855 -0.843 1.00 0.00 C ATOM 0 H VAL A 104 1.972 10.890 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 104 1.518 8.419 1.298 1.00 0.00 H new ATOM 0 HB VAL A 104 0.674 8.111 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.089 8.569 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.821 10.050 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.375 9.190 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.216 6.354 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.501 6.976 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.035 6.255 -0.021 1.00 0.00 H new ATOM 1162 N LYS A 105 4.001 7.957 1.545 1.00 0.00 N ATOM 1163 CA LYS A 105 5.458 7.873 1.848 1.00 0.00 C ATOM 1164 C LYS A 105 6.031 6.589 1.246 1.00 0.00 C ATOM 1165 O LYS A 105 6.167 5.584 1.916 1.00 0.00 O ATOM 1166 CB LYS A 105 5.664 7.863 3.364 1.00 0.00 C ATOM 1167 CG LYS A 105 6.903 8.688 3.717 1.00 0.00 C ATOM 1168 CD LYS A 105 7.236 8.502 5.198 1.00 0.00 C ATOM 1169 CE LYS A 105 8.349 9.472 5.597 1.00 0.00 C ATOM 1170 NZ LYS A 105 8.491 9.482 7.081 1.00 0.00 N ATOM 0 H LYS A 105 3.424 7.241 1.987 1.00 0.00 H new ATOM 0 HA LYS A 105 5.969 8.735 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.786 8.274 3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.783 6.839 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.747 8.377 3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.724 9.742 3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.349 8.680 5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.550 7.475 5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.289 9.174 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.119 10.475 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.248 10.142 7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.595 9.786 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.729 8.526 7.413 1.00 0.00 H new ATOM 1184 N LEU A 106 6.368 6.612 -0.015 1.00 0.00 N ATOM 1185 CA LEU A 106 6.932 5.392 -0.658 1.00 0.00 C ATOM 1186 C LEU A 106 7.979 4.766 0.266 1.00 0.00 C ATOM 1187 O LEU A 106 8.225 3.577 0.226 1.00 0.00 O ATOM 1188 CB LEU A 106 7.587 5.773 -1.987 1.00 0.00 C ATOM 1189 CG LEU A 106 6.984 4.931 -3.113 1.00 0.00 C ATOM 1190 CD1 LEU A 106 7.551 5.394 -4.456 1.00 0.00 C ATOM 1191 CD2 LEU A 106 7.336 3.459 -2.892 1.00 0.00 C ATOM 0 H LEU A 106 6.277 7.423 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 106 6.132 4.674 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.434 6.833 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.664 5.611 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 106 5.901 5.050 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.122 4.794 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.302 6.443 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.634 5.275 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.907 2.858 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.420 3.340 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.933 3.128 -1.935 1.00 0.00 H new ATOM 1203 N ALA A 107 8.598 5.558 1.099 1.00 0.00 N ATOM 1204 CA ALA A 107 9.628 5.007 2.024 1.00 0.00 C ATOM 1205 C ALA A 107 10.828 4.510 1.214 1.00 0.00 C ATOM 1206 O ALA A 107 10.932 4.754 0.028 1.00 0.00 O ATOM 1207 CB ALA A 107 9.031 3.843 2.817 1.00 0.00 C ATOM 0 H ALA A 107 8.435 6.562 1.179 1.00 0.00 H new ATOM 0 HA ALA A 107 9.952 5.787 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.784 3.440 3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.176 4.196 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.706 3.063 2.129 1.00 0.00 H new ATOM 1213 N GLY A 108 11.734 3.815 1.844 1.00 0.00 N ATOM 1214 CA GLY A 108 12.925 3.303 1.110 1.00 0.00 C ATOM 1215 C GLY A 108 14.193 3.936 1.686 1.00 0.00 C ATOM 1216 O GLY A 108 14.176 4.526 2.748 1.00 0.00 O ATOM 0 H GLY A 108 11.701 3.579 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.978 2.218 1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.839 3.537 0.049 1.00 0.00 H new ATOM 1220 N GLY A 109 15.293 3.818 0.995 1.00 0.00 N ATOM 1221 CA GLY A 109 16.561 4.413 1.505 1.00 0.00 C ATOM 1222 C GLY A 109 17.753 3.749 0.812 1.00 0.00 C ATOM 1223 O GLY A 109 17.595 2.990 -0.123 1.00 0.00 O ATOM 0 H GLY A 109 15.369 3.336 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 109 16.571 5.487 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 109 16.631 4.275 2.584 1.00 0.00 H new ATOM 1227 N LEU A 110 18.944 4.029 1.264 1.00 0.00 N ATOM 1228 CA LEU A 110 20.145 3.414 0.631 1.00 0.00 C ATOM 1229 C LEU A 110 19.985 1.892 0.607 1.00 0.00 C ATOM 1230 O LEU A 110 20.172 1.223 1.604 1.00 0.00 O ATOM 1231 CB LEU A 110 21.392 3.783 1.437 1.00 0.00 C ATOM 1232 CG LEU A 110 22.610 3.805 0.512 1.00 0.00 C ATOM 1233 CD1 LEU A 110 22.799 5.216 -0.050 1.00 0.00 C ATOM 1234 CD2 LEU A 110 23.856 3.400 1.301 1.00 0.00 C ATOM 0 H LEU A 110 19.138 4.657 2.044 1.00 0.00 H new ATOM 0 HA LEU A 110 20.249 3.785 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 110 21.260 4.759 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.545 3.062 2.240 1.00 0.00 H new ATOM 0 HG LEU A 110 22.455 3.105 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 110 23.667 5.232 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.911 5.506 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.954 5.917 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 110 24.725 3.415 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 110 24.010 4.100 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 110 23.722 2.395 1.702 1.00 0.00 H new ATOM 1246 N GLU A 111 19.640 1.340 -0.524 1.00 0.00 N ATOM 1247 CA GLU A 111 19.469 -0.137 -0.611 1.00 0.00 C ATOM 1248 C GLU A 111 20.542 -0.722 -1.531 1.00 0.00 C ATOM 1249 O GLU A 111 21.542 -1.195 -1.016 1.00 0.00 O ATOM 1250 CB GLU A 111 18.083 -0.458 -1.176 1.00 0.00 C ATOM 1251 CG GLU A 111 17.802 -1.954 -1.021 1.00 0.00 C ATOM 1252 CD GLU A 111 16.560 -2.327 -1.832 1.00 0.00 C ATOM 1253 OE1 GLU A 111 15.922 -1.425 -2.351 1.00 0.00 O ATOM 1254 OE2 GLU A 111 16.267 -3.507 -1.921 1.00 0.00 O ATOM 0 H GLU A 111 19.469 1.849 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 111 19.566 -0.573 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 111 17.322 0.122 -0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 111 18.033 -0.175 -2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 111 18.660 -2.533 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 111 17.650 -2.199 0.030 1.00 0.00 H new TER 1261 GLU A 111