USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 406 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: A 32 HIS HE2 : A 32 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0458 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 27:sc= 0.892 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= -0.0295 (180deg=-0.264) USER MOD Single : A 23 TYR OH : rot 152:sc= -3.09 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 85:sc= 0.175 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -2.49 K(o=-2.5,f=-3.4) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -170:sc= 0 USER MOD Single : A 48 SER OG : rot -56:sc= 0.66 USER MOD Single : A 49 GLN : amide:sc= -0.789 K(o=-0.79,f=-7.5!) USER MOD Single : A 54 LYS NZ :NH3+ -121:sc= -0.0933 (180deg=-0.546) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.224 45.896 -1.252 1.00 0.00 N ATOM 2 CA GLY A 1 -14.104 45.247 -1.908 1.00 0.00 C ATOM 3 C GLY A 1 -13.965 43.791 -1.513 1.00 0.00 C ATOM 4 O GLY A 1 -14.946 43.144 -1.144 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.782 46.421 -1.956 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.825 45.178 -0.799 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.869 46.555 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.230 45.317 -2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.185 45.777 -1.659 1.00 0.00 H new ATOM 8 N SER A 2 -12.744 43.272 -1.592 1.00 0.00 N ATOM 9 CA SER A 2 -12.482 41.880 -1.244 1.00 0.00 C ATOM 10 C SER A 2 -11.293 41.772 -0.294 1.00 0.00 C ATOM 11 O SER A 2 -10.359 42.573 -0.357 1.00 0.00 O ATOM 12 CB SER A 2 -12.216 41.058 -2.507 1.00 0.00 C ATOM 13 OG SER A 2 -11.994 39.695 -2.191 1.00 0.00 O ATOM 0 H SER A 2 -11.921 43.794 -1.894 1.00 0.00 H new ATOM 0 HA SER A 2 -13.364 41.485 -0.741 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.065 41.144 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.348 41.459 -3.030 1.00 0.00 H new ATOM 0 HG SER A 2 -11.828 39.191 -3.015 1.00 0.00 H new ATOM 19 N SER A 3 -11.334 40.777 0.586 1.00 0.00 N ATOM 20 CA SER A 3 -10.263 40.566 1.552 1.00 0.00 C ATOM 21 C SER A 3 -9.589 39.215 1.329 1.00 0.00 C ATOM 22 O SER A 3 -10.015 38.428 0.486 1.00 0.00 O ATOM 23 CB SER A 3 -10.811 40.646 2.978 1.00 0.00 C ATOM 24 OG SER A 3 -11.670 39.554 3.257 1.00 0.00 O ATOM 0 H SER A 3 -12.098 40.104 0.650 1.00 0.00 H new ATOM 0 HA SER A 3 -9.520 41.351 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.984 40.653 3.689 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.353 41.582 3.110 1.00 0.00 H new ATOM 0 HG SER A 3 -12.005 39.628 4.175 1.00 0.00 H new ATOM 30 N GLY A 4 -8.532 38.955 2.093 1.00 0.00 N ATOM 31 CA GLY A 4 -7.815 37.700 1.965 1.00 0.00 C ATOM 32 C GLY A 4 -8.497 36.564 2.702 1.00 0.00 C ATOM 33 O GLY A 4 -9.097 35.685 2.084 1.00 0.00 O ATOM 0 H GLY A 4 -8.160 39.591 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.726 37.442 0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.803 37.823 2.350 1.00 0.00 H new ATOM 37 N SER A 5 -8.405 36.582 4.028 1.00 0.00 N ATOM 38 CA SER A 5 -9.014 35.542 4.850 1.00 0.00 C ATOM 39 C SER A 5 -8.937 34.186 4.156 1.00 0.00 C ATOM 40 O SER A 5 -9.896 33.414 4.171 1.00 0.00 O ATOM 41 CB SER A 5 -10.472 35.891 5.154 1.00 0.00 C ATOM 42 OG SER A 5 -11.256 35.876 3.974 1.00 0.00 O ATOM 0 H SER A 5 -7.915 37.304 4.556 1.00 0.00 H new ATOM 0 HA SER A 5 -8.460 35.483 5.787 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.877 35.179 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.525 36.876 5.617 1.00 0.00 H new ATOM 0 HG SER A 5 -12.184 36.101 4.195 1.00 0.00 H new ATOM 48 N SER A 6 -7.789 33.903 3.548 1.00 0.00 N ATOM 49 CA SER A 6 -7.587 32.642 2.845 1.00 0.00 C ATOM 50 C SER A 6 -6.100 32.348 2.674 1.00 0.00 C ATOM 51 O SER A 6 -5.371 33.117 2.048 1.00 0.00 O ATOM 52 CB SER A 6 -8.272 32.682 1.477 1.00 0.00 C ATOM 53 OG SER A 6 -9.666 32.462 1.598 1.00 0.00 O ATOM 0 H SER A 6 -6.985 34.530 3.528 1.00 0.00 H new ATOM 0 HA SER A 6 -8.030 31.845 3.442 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.093 33.648 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.836 31.924 0.826 1.00 0.00 H new ATOM 0 HG SER A 6 -9.966 32.747 2.486 1.00 0.00 H new ATOM 59 N GLY A 7 -5.656 31.227 3.235 1.00 0.00 N ATOM 60 CA GLY A 7 -4.259 30.850 3.135 1.00 0.00 C ATOM 61 C GLY A 7 -3.858 30.484 1.719 1.00 0.00 C ATOM 62 O GLY A 7 -4.507 30.892 0.757 1.00 0.00 O ATOM 0 H GLY A 7 -6.240 30.573 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.637 31.674 3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.066 30.004 3.794 1.00 0.00 H new ATOM 66 N GLY A 8 -2.782 29.713 1.591 1.00 0.00 N ATOM 67 CA GLY A 8 -2.312 29.307 0.279 1.00 0.00 C ATOM 68 C GLY A 8 -2.990 28.044 -0.214 1.00 0.00 C ATOM 69 O GLY A 8 -2.827 26.973 0.372 1.00 0.00 O ATOM 0 H GLY A 8 -2.228 29.362 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.490 30.113 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.234 29.147 0.316 1.00 0.00 H new ATOM 73 N THR A 9 -3.754 28.167 -1.294 1.00 0.00 N ATOM 74 CA THR A 9 -4.462 27.027 -1.865 1.00 0.00 C ATOM 75 C THR A 9 -3.587 25.779 -1.859 1.00 0.00 C ATOM 76 O THR A 9 -2.409 25.833 -2.214 1.00 0.00 O ATOM 77 CB THR A 9 -4.919 27.314 -3.307 1.00 0.00 C ATOM 78 OG1 THR A 9 -3.800 27.718 -4.105 1.00 0.00 O ATOM 79 CG2 THR A 9 -5.983 28.400 -3.332 1.00 0.00 C ATOM 0 H THR A 9 -3.899 29.045 -1.792 1.00 0.00 H new ATOM 0 HA THR A 9 -5.340 26.855 -1.242 1.00 0.00 H new ATOM 0 HB THR A 9 -5.346 26.399 -3.717 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.099 27.897 -5.021 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.290 28.585 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.846 28.078 -2.749 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.577 29.317 -2.904 1.00 0.00 H new ATOM 87 N ASP A 10 -4.170 24.655 -1.456 1.00 0.00 N ATOM 88 CA ASP A 10 -3.443 23.392 -1.407 1.00 0.00 C ATOM 89 C ASP A 10 -4.177 22.312 -2.196 1.00 0.00 C ATOM 90 O ASP A 10 -5.291 22.525 -2.671 1.00 0.00 O ATOM 91 CB ASP A 10 -3.256 22.943 0.043 1.00 0.00 C ATOM 92 CG ASP A 10 -4.555 22.955 0.825 1.00 0.00 C ATOM 93 OD1 ASP A 10 -5.158 24.040 0.957 1.00 0.00 O ATOM 94 OD2 ASP A 10 -4.968 21.878 1.306 1.00 0.00 O ATOM 0 H ASP A 10 -5.144 24.593 -1.159 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.464 23.546 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.836 21.937 0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.534 23.597 0.533 1.00 0.00 H new ATOM 99 N GLY A 11 -3.542 21.152 -2.332 1.00 0.00 N ATOM 100 CA GLY A 11 -4.149 20.056 -3.066 1.00 0.00 C ATOM 101 C GLY A 11 -4.311 18.810 -2.218 1.00 0.00 C ATOM 102 O GLY A 11 -5.082 18.799 -1.257 1.00 0.00 O ATOM 0 H GLY A 11 -2.619 20.951 -1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.125 20.368 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.536 19.822 -3.937 1.00 0.00 H new ATOM 106 N THR A 12 -3.584 17.755 -2.573 1.00 0.00 N ATOM 107 CA THR A 12 -3.653 16.498 -1.840 1.00 0.00 C ATOM 108 C THR A 12 -2.383 16.263 -1.031 1.00 0.00 C ATOM 109 O THR A 12 -1.326 16.812 -1.341 1.00 0.00 O ATOM 110 CB THR A 12 -3.871 15.305 -2.790 1.00 0.00 C ATOM 111 OG1 THR A 12 -2.789 15.218 -3.724 1.00 0.00 O ATOM 112 CG2 THR A 12 -5.186 15.445 -3.541 1.00 0.00 C ATOM 0 H THR A 12 -2.940 17.747 -3.364 1.00 0.00 H new ATOM 0 HA THR A 12 -4.503 16.574 -1.162 1.00 0.00 H new ATOM 0 HB THR A 12 -3.908 14.395 -2.192 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.934 14.456 -4.323 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.318 14.591 -4.206 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.010 15.481 -2.828 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.174 16.363 -4.128 1.00 0.00 H new ATOM 120 N LYS A 13 -2.493 15.443 0.009 1.00 0.00 N ATOM 121 CA LYS A 13 -1.352 15.133 0.863 1.00 0.00 C ATOM 122 C LYS A 13 -0.985 13.655 0.766 1.00 0.00 C ATOM 123 O LYS A 13 -1.846 12.775 0.776 1.00 0.00 O ATOM 124 CB LYS A 13 -1.664 15.497 2.317 1.00 0.00 C ATOM 125 CG LYS A 13 -0.440 15.506 3.217 1.00 0.00 C ATOM 126 CD LYS A 13 0.430 16.725 2.962 1.00 0.00 C ATOM 127 CE LYS A 13 -0.161 17.975 3.598 1.00 0.00 C ATOM 128 NZ LYS A 13 0.106 18.031 5.062 1.00 0.00 N ATOM 0 H LYS A 13 -3.361 14.981 0.281 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.502 15.724 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.132 16.481 2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.391 14.787 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.754 15.494 4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.143 14.600 3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.429 16.550 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.538 16.878 1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.258 18.860 3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.237 17.997 3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.312 18.897 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.316 17.200 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.133 18.035 5.228 1.00 0.00 H new ATOM 142 N PRO A 14 0.323 13.375 0.670 1.00 0.00 N ATOM 143 CA PRO A 14 0.834 12.004 0.571 1.00 0.00 C ATOM 144 C PRO A 14 0.662 11.226 1.871 1.00 0.00 C ATOM 145 O PRO A 14 1.520 11.275 2.751 1.00 0.00 O ATOM 146 CB PRO A 14 2.319 12.201 0.258 1.00 0.00 C ATOM 147 CG PRO A 14 2.648 13.544 0.811 1.00 0.00 C ATOM 148 CD PRO A 14 1.405 14.374 0.652 1.00 0.00 C ATOM 0 HA PRO A 14 0.299 11.423 -0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.927 11.423 0.719 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.507 12.158 -0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.939 13.474 1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.487 13.991 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.298 15.097 1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.415 14.938 -0.280 1.00 0.00 H new ATOM 156 N GLU A 15 -0.453 10.510 1.984 1.00 0.00 N ATOM 157 CA GLU A 15 -0.736 9.722 3.178 1.00 0.00 C ATOM 158 C GLU A 15 -1.329 8.366 2.806 1.00 0.00 C ATOM 159 O GLU A 15 -1.667 8.119 1.648 1.00 0.00 O ATOM 160 CB GLU A 15 -1.697 10.477 4.098 1.00 0.00 C ATOM 161 CG GLU A 15 -3.161 10.283 3.740 1.00 0.00 C ATOM 162 CD GLU A 15 -4.028 11.446 4.180 1.00 0.00 C ATOM 163 OE1 GLU A 15 -4.344 11.527 5.386 1.00 0.00 O ATOM 164 OE2 GLU A 15 -4.391 12.275 3.320 1.00 0.00 O ATOM 0 H GLU A 15 -1.174 10.460 1.264 1.00 0.00 H new ATOM 0 HA GLU A 15 0.204 9.556 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.536 10.149 5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.461 11.540 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.253 10.153 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.526 9.367 4.204 1.00 0.00 H new ATOM 171 N CYS A 16 -1.452 7.489 3.797 1.00 0.00 N ATOM 172 CA CYS A 16 -2.003 6.158 3.577 1.00 0.00 C ATOM 173 C CYS A 16 -3.111 5.854 4.582 1.00 0.00 C ATOM 174 O CYS A 16 -2.923 5.070 5.513 1.00 0.00 O ATOM 175 CB CYS A 16 -0.901 5.103 3.683 1.00 0.00 C ATOM 176 SG CYS A 16 -1.180 3.628 2.650 1.00 0.00 S ATOM 0 H CYS A 16 -1.177 7.677 4.761 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.429 6.130 2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.049 5.556 3.401 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.809 4.792 4.724 1.00 0.00 H new ATOM 181 N THR A 17 -4.267 6.481 4.388 1.00 0.00 N ATOM 182 CA THR A 17 -5.404 6.280 5.277 1.00 0.00 C ATOM 183 C THR A 17 -5.600 4.801 5.592 1.00 0.00 C ATOM 184 O THR A 17 -6.186 4.447 6.616 1.00 0.00 O ATOM 185 CB THR A 17 -6.702 6.839 4.663 1.00 0.00 C ATOM 186 OG1 THR A 17 -7.804 6.600 5.547 1.00 0.00 O ATOM 187 CG2 THR A 17 -6.982 6.199 3.312 1.00 0.00 C ATOM 0 H THR A 17 -4.440 7.133 3.623 1.00 0.00 H new ATOM 0 HA THR A 17 -5.185 6.819 6.199 1.00 0.00 H new ATOM 0 HB THR A 17 -6.577 7.912 4.519 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.625 6.959 5.151 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.903 6.610 2.899 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.155 6.407 2.633 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.088 5.121 3.435 1.00 0.00 H new ATOM 195 N LEU A 18 -5.107 3.942 4.708 1.00 0.00 N ATOM 196 CA LEU A 18 -5.227 2.500 4.893 1.00 0.00 C ATOM 197 C LEU A 18 -4.311 2.016 6.012 1.00 0.00 C ATOM 198 O LEU A 18 -4.733 1.271 6.896 1.00 0.00 O ATOM 199 CB LEU A 18 -4.891 1.769 3.591 1.00 0.00 C ATOM 200 CG LEU A 18 -4.622 0.269 3.714 1.00 0.00 C ATOM 201 CD1 LEU A 18 -5.930 -0.504 3.778 1.00 0.00 C ATOM 202 CD2 LEU A 18 -3.770 -0.217 2.551 1.00 0.00 C ATOM 0 H LEU A 18 -4.620 4.219 3.855 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.257 2.279 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.716 1.914 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.013 2.240 3.149 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.073 0.092 4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.719 -1.570 3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.505 -0.176 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.505 -0.321 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.588 -1.287 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.292 -0.027 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.818 0.314 2.550 1.00 0.00 H new ATOM 214 N CYS A 19 -3.054 2.447 5.969 1.00 0.00 N ATOM 215 CA CYS A 19 -2.078 2.060 6.979 1.00 0.00 C ATOM 216 C CYS A 19 -1.853 3.190 7.980 1.00 0.00 C ATOM 217 O CYS A 19 -0.996 3.096 8.857 1.00 0.00 O ATOM 218 CB CYS A 19 -0.752 1.679 6.318 1.00 0.00 C ATOM 219 SG CYS A 19 -0.937 0.766 4.752 1.00 0.00 S ATOM 0 H CYS A 19 -2.688 3.065 5.244 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.471 1.196 7.515 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.177 2.586 6.132 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.173 1.072 7.014 1.00 0.00 H new ATOM 224 N GLY A 20 -2.632 4.259 7.841 1.00 0.00 N ATOM 225 CA GLY A 20 -2.503 5.392 8.739 1.00 0.00 C ATOM 226 C GLY A 20 -1.113 5.995 8.716 1.00 0.00 C ATOM 227 O GLY A 20 -0.745 6.760 9.607 1.00 0.00 O ATOM 0 H GLY A 20 -3.349 4.360 7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.231 6.155 8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.742 5.076 9.754 1.00 0.00 H new ATOM 231 N VAL A 21 -0.336 5.649 7.694 1.00 0.00 N ATOM 232 CA VAL A 21 1.022 6.162 7.558 1.00 0.00 C ATOM 233 C VAL A 21 1.063 7.371 6.631 1.00 0.00 C ATOM 234 O VAL A 21 0.664 7.291 5.469 1.00 0.00 O ATOM 235 CB VAL A 21 1.978 5.082 7.017 1.00 0.00 C ATOM 236 CG1 VAL A 21 3.394 5.627 6.909 1.00 0.00 C ATOM 237 CG2 VAL A 21 1.940 3.845 7.903 1.00 0.00 C ATOM 0 H VAL A 21 -0.624 5.016 6.948 1.00 0.00 H new ATOM 0 HA VAL A 21 1.349 6.461 8.554 1.00 0.00 H new ATOM 0 HB VAL A 21 1.648 4.796 6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.055 4.850 6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.405 6.480 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.739 5.942 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.621 3.092 7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.245 4.113 8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.927 3.443 7.923 1.00 0.00 H new ATOM 247 N LYS A 22 1.548 8.493 7.152 1.00 0.00 N ATOM 248 CA LYS A 22 1.644 9.721 6.372 1.00 0.00 C ATOM 249 C LYS A 22 3.054 9.906 5.820 1.00 0.00 C ATOM 250 O LYS A 22 3.963 10.322 6.539 1.00 0.00 O ATOM 251 CB LYS A 22 1.259 10.927 7.231 1.00 0.00 C ATOM 252 CG LYS A 22 0.638 12.065 6.439 1.00 0.00 C ATOM 253 CD LYS A 22 1.668 12.764 5.567 1.00 0.00 C ATOM 254 CE LYS A 22 2.601 13.634 6.395 1.00 0.00 C ATOM 255 NZ LYS A 22 1.892 14.803 6.985 1.00 0.00 N ATOM 0 H LYS A 22 1.881 8.577 8.112 1.00 0.00 H new ATOM 0 HA LYS A 22 0.952 9.644 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.557 10.605 8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.147 11.295 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.167 11.678 5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.191 12.785 7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.250 12.020 5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.160 13.378 4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.042 13.036 7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.421 13.985 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.587 15.520 7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.248 15.211 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.346 14.495 7.815 1.00 0.00 H new ATOM 269 N TYR A 23 3.229 9.597 4.540 1.00 0.00 N ATOM 270 CA TYR A 23 4.528 9.729 3.892 1.00 0.00 C ATOM 271 C TYR A 23 5.097 11.130 4.093 1.00 0.00 C ATOM 272 O TYR A 23 4.379 12.056 4.473 1.00 0.00 O ATOM 273 CB TYR A 23 4.410 9.424 2.398 1.00 0.00 C ATOM 274 CG TYR A 23 3.380 8.365 2.076 1.00 0.00 C ATOM 275 CD1 TYR A 23 3.339 7.170 2.783 1.00 0.00 C ATOM 276 CD2 TYR A 23 2.448 8.560 1.064 1.00 0.00 C ATOM 277 CE1 TYR A 23 2.400 6.199 2.492 1.00 0.00 C ATOM 278 CE2 TYR A 23 1.504 7.596 0.767 1.00 0.00 C ATOM 279 CZ TYR A 23 1.484 6.417 1.484 1.00 0.00 C ATOM 280 OH TYR A 23 0.547 5.453 1.190 1.00 0.00 O ATOM 0 H TYR A 23 2.487 9.253 3.930 1.00 0.00 H new ATOM 0 HA TYR A 23 5.208 9.011 4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.154 10.341 1.868 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.381 9.100 2.024 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.054 6.997 3.574 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.462 9.481 0.500 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.383 5.275 3.051 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.786 7.764 -0.022 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.254 5.878 0.818 1.00 0.00 H new ATOM 290 N SER A 24 6.392 11.279 3.834 1.00 0.00 N ATOM 291 CA SER A 24 7.060 12.566 3.989 1.00 0.00 C ATOM 292 C SER A 24 7.285 13.228 2.632 1.00 0.00 C ATOM 293 O SER A 24 7.299 12.561 1.599 1.00 0.00 O ATOM 294 CB SER A 24 8.398 12.386 4.709 1.00 0.00 C ATOM 295 OG SER A 24 8.970 13.639 5.043 1.00 0.00 O ATOM 0 H SER A 24 7.000 10.524 3.516 1.00 0.00 H new ATOM 0 HA SER A 24 6.417 13.212 4.587 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.251 11.797 5.614 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.085 11.827 4.073 1.00 0.00 H new ATOM 0 HG SER A 24 9.823 13.497 5.504 1.00 0.00 H new ATOM 301 N ALA A 25 7.458 14.545 2.646 1.00 0.00 N ATOM 302 CA ALA A 25 7.684 15.299 1.419 1.00 0.00 C ATOM 303 C ALA A 25 8.556 14.513 0.445 1.00 0.00 C ATOM 304 O ALA A 25 8.458 14.688 -0.770 1.00 0.00 O ATOM 305 CB ALA A 25 8.322 16.644 1.735 1.00 0.00 C ATOM 0 H ALA A 25 7.446 15.112 3.494 1.00 0.00 H new ATOM 0 HA ALA A 25 6.718 15.471 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.485 17.196 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.662 17.216 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.277 16.485 2.235 1.00 0.00 H new ATOM 311 N ARG A 26 9.408 13.649 0.986 1.00 0.00 N ATOM 312 CA ARG A 26 10.299 12.839 0.164 1.00 0.00 C ATOM 313 C ARG A 26 9.617 11.541 -0.260 1.00 0.00 C ATOM 314 O ARG A 26 9.313 11.343 -1.437 1.00 0.00 O ATOM 315 CB ARG A 26 11.587 12.525 0.927 1.00 0.00 C ATOM 316 CG ARG A 26 12.669 11.897 0.063 1.00 0.00 C ATOM 317 CD ARG A 26 13.273 12.910 -0.896 1.00 0.00 C ATOM 318 NE ARG A 26 14.073 12.269 -1.937 1.00 0.00 N ATOM 319 CZ ARG A 26 14.505 12.898 -3.024 1.00 0.00 C ATOM 320 NH1 ARG A 26 14.218 14.179 -3.211 1.00 0.00 N ATOM 321 NH2 ARG A 26 15.228 12.246 -3.926 1.00 0.00 N ATOM 0 H ARG A 26 9.500 13.492 1.990 1.00 0.00 H new ATOM 0 HA ARG A 26 10.545 13.410 -0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.973 13.445 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.356 11.851 1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.452 11.486 0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.248 11.065 -0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.476 13.492 -1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.896 13.610 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 26 14.313 11.284 -1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.664 14.684 -2.519 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.551 14.660 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.452 11.261 -3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.559 12.730 -4.761 1.00 0.00 H new ATOM 335 N LEU A 27 9.380 10.661 0.706 1.00 0.00 N ATOM 336 CA LEU A 27 8.734 9.382 0.434 1.00 0.00 C ATOM 337 C LEU A 27 7.621 9.542 -0.597 1.00 0.00 C ATOM 338 O LEU A 27 7.108 10.641 -0.805 1.00 0.00 O ATOM 339 CB LEU A 27 8.168 8.789 1.725 1.00 0.00 C ATOM 340 CG LEU A 27 7.659 7.350 1.636 1.00 0.00 C ATOM 341 CD1 LEU A 27 8.780 6.412 1.217 1.00 0.00 C ATOM 342 CD2 LEU A 27 7.063 6.911 2.966 1.00 0.00 C ATOM 0 H LEU A 27 9.625 10.810 1.685 1.00 0.00 H new ATOM 0 HA LEU A 27 9.484 8.703 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.942 8.833 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.348 9.423 2.064 1.00 0.00 H new ATOM 0 HG LEU A 27 6.876 7.309 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.399 5.392 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.161 6.713 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.585 6.457 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.706 5.884 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.825 6.969 3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.230 7.565 3.225 1.00 0.00 H new ATOM 354 N SER A 28 7.251 8.438 -1.237 1.00 0.00 N ATOM 355 CA SER A 28 6.199 8.456 -2.247 1.00 0.00 C ATOM 356 C SER A 28 5.253 7.272 -2.068 1.00 0.00 C ATOM 357 O SER A 28 5.655 6.208 -1.597 1.00 0.00 O ATOM 358 CB SER A 28 6.809 8.427 -3.650 1.00 0.00 C ATOM 359 OG SER A 28 7.610 9.573 -3.881 1.00 0.00 O ATOM 0 H SER A 28 7.664 7.520 -1.074 1.00 0.00 H new ATOM 0 HA SER A 28 5.629 9.377 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.413 7.527 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.014 8.379 -4.395 1.00 0.00 H new ATOM 0 HG SER A 28 7.990 9.530 -4.783 1.00 0.00 H new ATOM 365 N ILE A 29 3.994 7.467 -2.446 1.00 0.00 N ATOM 366 CA ILE A 29 2.991 6.416 -2.328 1.00 0.00 C ATOM 367 C ILE A 29 3.561 5.063 -2.740 1.00 0.00 C ATOM 368 O ILE A 29 3.323 4.051 -2.080 1.00 0.00 O ATOM 369 CB ILE A 29 1.752 6.722 -3.190 1.00 0.00 C ATOM 370 CG1 ILE A 29 0.756 5.562 -3.121 1.00 0.00 C ATOM 371 CG2 ILE A 29 2.161 6.990 -4.631 1.00 0.00 C ATOM 372 CD1 ILE A 29 -0.051 5.534 -1.842 1.00 0.00 C ATOM 0 H ILE A 29 3.645 8.342 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 29 2.695 6.379 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 29 1.268 7.616 -2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.075 5.628 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.298 4.622 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.274 7.205 -5.227 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.836 7.845 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.666 6.113 -5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.736 4.686 -1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.621 5.437 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.621 6.459 -1.751 1.00 0.00 H new ATOM 384 N ARG A 30 4.316 5.053 -3.833 1.00 0.00 N ATOM 385 CA ARG A 30 4.921 3.824 -4.333 1.00 0.00 C ATOM 386 C ARG A 30 5.913 3.257 -3.322 1.00 0.00 C ATOM 387 O ARG A 30 5.674 2.207 -2.724 1.00 0.00 O ATOM 388 CB ARG A 30 5.627 4.083 -5.665 1.00 0.00 C ATOM 389 CG ARG A 30 4.730 3.887 -6.877 1.00 0.00 C ATOM 390 CD ARG A 30 5.394 4.392 -8.148 1.00 0.00 C ATOM 391 NE ARG A 30 4.764 3.848 -9.348 1.00 0.00 N ATOM 392 CZ ARG A 30 5.102 4.204 -10.582 1.00 0.00 C ATOM 393 NH1 ARG A 30 6.060 5.099 -10.778 1.00 0.00 N ATOM 394 NH2 ARG A 30 4.482 3.664 -11.624 1.00 0.00 N ATOM 0 H ARG A 30 4.524 5.882 -4.390 1.00 0.00 H new ATOM 0 HA ARG A 30 4.126 3.094 -4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.013 5.102 -5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.486 3.417 -5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.490 2.829 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.788 4.414 -6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.345 5.481 -8.175 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.450 4.121 -8.138 1.00 0.00 H new ATOM 0 HE ARG A 30 4.023 3.156 -9.232 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.539 5.516 -9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.318 5.371 -11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.745 2.975 -11.478 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.743 3.939 -12.571 1.00 0.00 H new ATOM 408 N ASP A 31 7.027 3.957 -3.136 1.00 0.00 N ATOM 409 CA ASP A 31 8.055 3.524 -2.197 1.00 0.00 C ATOM 410 C ASP A 31 7.428 2.932 -0.939 1.00 0.00 C ATOM 411 O ASP A 31 8.017 2.071 -0.284 1.00 0.00 O ATOM 412 CB ASP A 31 8.964 4.697 -1.826 1.00 0.00 C ATOM 413 CG ASP A 31 9.966 5.020 -2.917 1.00 0.00 C ATOM 414 OD1 ASP A 31 10.378 4.089 -3.640 1.00 0.00 O ATOM 415 OD2 ASP A 31 10.338 6.205 -3.047 1.00 0.00 O ATOM 0 H ASP A 31 7.241 4.827 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 31 8.652 2.751 -2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.353 5.577 -1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.497 4.463 -0.905 1.00 0.00 H new ATOM 420 N HIS A 32 6.229 3.401 -0.605 1.00 0.00 N ATOM 421 CA HIS A 32 5.522 2.918 0.576 1.00 0.00 C ATOM 422 C HIS A 32 4.899 1.550 0.315 1.00 0.00 C ATOM 423 O HIS A 32 5.342 0.541 0.863 1.00 0.00 O ATOM 424 CB HIS A 32 4.438 3.914 0.990 1.00 0.00 C ATOM 425 CG HIS A 32 3.557 3.417 2.094 1.00 0.00 C ATOM 426 ND1 HIS A 32 4.018 3.168 3.370 1.00 0.00 N ATOM 427 CD2 HIS A 32 2.236 3.124 2.109 1.00 0.00 C ATOM 428 CE1 HIS A 32 3.018 2.742 4.121 1.00 0.00 C ATOM 429 NE2 HIS A 32 1.926 2.706 3.379 1.00 0.00 N ATOM 0 H HIS A 32 5.728 4.114 -1.135 1.00 0.00 H new ATOM 0 HA HIS A 32 6.244 2.820 1.387 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.912 4.844 1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.822 4.149 0.122 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.980 3.293 3.684 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.553 3.204 1.276 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.083 2.470 5.164 1.00 0.00 H new ATOM 437 N ILE A 33 3.868 1.525 -0.524 1.00 0.00 N ATOM 438 CA ILE A 33 3.185 0.281 -0.857 1.00 0.00 C ATOM 439 C ILE A 33 4.184 -0.829 -1.167 1.00 0.00 C ATOM 440 O ILE A 33 3.869 -2.013 -1.050 1.00 0.00 O ATOM 441 CB ILE A 33 2.245 0.461 -2.063 1.00 0.00 C ATOM 442 CG1 ILE A 33 3.028 0.965 -3.278 1.00 0.00 C ATOM 443 CG2 ILE A 33 1.117 1.422 -1.717 1.00 0.00 C ATOM 444 CD1 ILE A 33 2.162 1.217 -4.492 1.00 0.00 C ATOM 0 H ILE A 33 3.488 2.352 -0.985 1.00 0.00 H new ATOM 0 HA ILE A 33 2.595 0.002 0.016 1.00 0.00 H new ATOM 0 HB ILE A 33 1.809 -0.506 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.543 1.888 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.795 0.234 -3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.461 1.539 -2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.546 1.025 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.535 2.391 -1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.783 1.572 -5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.667 0.291 -4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.411 1.970 -4.253 1.00 0.00 H new ATOM 456 N PHE A 34 5.392 -0.437 -1.560 1.00 0.00 N ATOM 457 CA PHE A 34 6.439 -1.399 -1.886 1.00 0.00 C ATOM 458 C PHE A 34 7.219 -1.797 -0.637 1.00 0.00 C ATOM 459 O PHE A 34 8.396 -2.150 -0.713 1.00 0.00 O ATOM 460 CB PHE A 34 7.391 -0.814 -2.931 1.00 0.00 C ATOM 461 CG PHE A 34 6.922 -1.010 -4.345 1.00 0.00 C ATOM 462 CD1 PHE A 34 7.216 -2.177 -5.031 1.00 0.00 C ATOM 463 CD2 PHE A 34 6.187 -0.027 -4.988 1.00 0.00 C ATOM 464 CE1 PHE A 34 6.787 -2.359 -6.332 1.00 0.00 C ATOM 465 CE2 PHE A 34 5.754 -0.204 -6.289 1.00 0.00 C ATOM 466 CZ PHE A 34 6.054 -1.372 -6.961 1.00 0.00 C ATOM 0 H PHE A 34 5.670 0.539 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 34 5.964 -2.290 -2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.514 0.252 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.372 -1.274 -2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.787 -2.953 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.950 0.888 -4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.025 -3.273 -6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.182 0.570 -6.779 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.716 -1.514 -7.977 1.00 0.00 H new ATOM 476 N SER A 35 6.555 -1.737 0.513 1.00 0.00 N ATOM 477 CA SER A 35 7.187 -2.086 1.780 1.00 0.00 C ATOM 478 C SER A 35 6.302 -3.032 2.585 1.00 0.00 C ATOM 479 O SER A 35 5.117 -2.771 2.789 1.00 0.00 O ATOM 480 CB SER A 35 7.478 -0.824 2.594 1.00 0.00 C ATOM 481 OG SER A 35 8.418 0.005 1.932 1.00 0.00 O ATOM 0 H SER A 35 5.580 -1.450 0.593 1.00 0.00 H new ATOM 0 HA SER A 35 8.127 -2.593 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.553 -0.271 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.861 -1.101 3.576 1.00 0.00 H new ATOM 0 HG SER A 35 7.953 0.573 1.283 1.00 0.00 H new ATOM 487 N LYS A 36 6.887 -4.135 3.042 1.00 0.00 N ATOM 488 CA LYS A 36 6.155 -5.121 3.827 1.00 0.00 C ATOM 489 C LYS A 36 5.130 -4.445 4.732 1.00 0.00 C ATOM 490 O LYS A 36 3.982 -4.880 4.816 1.00 0.00 O ATOM 491 CB LYS A 36 7.124 -5.954 4.669 1.00 0.00 C ATOM 492 CG LYS A 36 6.516 -7.240 5.203 1.00 0.00 C ATOM 493 CD LYS A 36 7.199 -7.691 6.482 1.00 0.00 C ATOM 494 CE LYS A 36 6.321 -8.646 7.276 1.00 0.00 C ATOM 495 NZ LYS A 36 7.127 -9.552 8.140 1.00 0.00 N ATOM 0 H LYS A 36 7.867 -4.368 2.882 1.00 0.00 H new ATOM 0 HA LYS A 36 5.626 -5.778 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.998 -6.199 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.474 -5.352 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.453 -7.090 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.599 -8.023 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.143 -8.179 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.439 -6.821 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.630 -8.074 7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.718 -9.240 6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.492 -10.187 8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.769 -10.116 7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.684 -8.986 8.812 1.00 0.00 H new ATOM 509 N GLN A 37 5.553 -3.380 5.404 1.00 0.00 N ATOM 510 CA GLN A 37 4.671 -2.643 6.302 1.00 0.00 C ATOM 511 C GLN A 37 3.286 -2.476 5.687 1.00 0.00 C ATOM 512 O GLN A 37 2.275 -2.805 6.308 1.00 0.00 O ATOM 513 CB GLN A 37 5.267 -1.273 6.627 1.00 0.00 C ATOM 514 CG GLN A 37 4.598 -0.582 7.804 1.00 0.00 C ATOM 515 CD GLN A 37 3.216 -0.059 7.466 1.00 0.00 C ATOM 516 OE1 GLN A 37 3.070 0.888 6.694 1.00 0.00 O ATOM 517 NE2 GLN A 37 2.192 -0.676 8.044 1.00 0.00 N ATOM 0 H GLN A 37 6.501 -3.008 5.344 1.00 0.00 H new ATOM 0 HA GLN A 37 4.573 -3.215 7.224 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.329 -1.390 6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.187 -0.634 5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.524 -1.282 8.637 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.224 0.246 8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.359 -1.457 8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.238 -0.369 7.854 1.00 0.00 H new ATOM 526 N HIS A 38 3.246 -1.960 4.462 1.00 0.00 N ATOM 527 CA HIS A 38 1.984 -1.749 3.762 1.00 0.00 C ATOM 528 C HIS A 38 1.405 -3.073 3.273 1.00 0.00 C ATOM 529 O HIS A 38 0.209 -3.330 3.418 1.00 0.00 O ATOM 530 CB HIS A 38 2.184 -0.799 2.581 1.00 0.00 C ATOM 531 CG HIS A 38 1.014 -0.749 1.647 1.00 0.00 C ATOM 532 ND1 HIS A 38 0.104 0.286 1.637 1.00 0.00 N ATOM 533 CD2 HIS A 38 0.609 -1.614 0.688 1.00 0.00 C ATOM 534 CE1 HIS A 38 -0.812 0.056 0.712 1.00 0.00 C ATOM 535 NE2 HIS A 38 -0.528 -1.091 0.122 1.00 0.00 N ATOM 0 H HIS A 38 4.073 -1.681 3.934 1.00 0.00 H new ATOM 0 HA HIS A 38 1.279 -1.302 4.463 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.378 0.204 2.961 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.070 -1.106 2.025 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.090 -2.542 0.418 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.650 0.697 0.479 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.066 -1.519 -0.632 1.00 0.00 H new ATOM 543 N ILE A 39 2.260 -3.909 2.694 1.00 0.00 N ATOM 544 CA ILE A 39 1.833 -5.206 2.184 1.00 0.00 C ATOM 545 C ILE A 39 0.899 -5.903 3.167 1.00 0.00 C ATOM 546 O ILE A 39 -0.240 -6.227 2.834 1.00 0.00 O ATOM 547 CB ILE A 39 3.037 -6.123 1.899 1.00 0.00 C ATOM 548 CG1 ILE A 39 4.012 -5.438 0.938 1.00 0.00 C ATOM 549 CG2 ILE A 39 2.568 -7.452 1.327 1.00 0.00 C ATOM 550 CD1 ILE A 39 3.399 -5.096 -0.402 1.00 0.00 C ATOM 0 H ILE A 39 3.252 -3.711 2.566 1.00 0.00 H new ATOM 0 HA ILE A 39 1.301 -5.018 1.251 1.00 0.00 H new ATOM 0 HB ILE A 39 3.556 -6.317 2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.385 -4.525 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.872 -6.089 0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.431 -8.089 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.909 -7.944 2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.027 -7.277 0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.147 -4.613 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.051 -6.008 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.557 -4.419 -0.255 1.00 0.00 H new ATOM 562 N SER A 40 1.390 -6.129 4.382 1.00 0.00 N ATOM 563 CA SER A 40 0.600 -6.789 5.415 1.00 0.00 C ATOM 564 C SER A 40 -0.789 -6.165 5.518 1.00 0.00 C ATOM 565 O SER A 40 -1.801 -6.866 5.495 1.00 0.00 O ATOM 566 CB SER A 40 1.313 -6.702 6.765 1.00 0.00 C ATOM 567 OG SER A 40 2.170 -7.813 6.962 1.00 0.00 O ATOM 0 H SER A 40 2.331 -5.865 4.675 1.00 0.00 H new ATOM 0 HA SER A 40 0.488 -7.837 5.139 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.891 -5.779 6.816 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.576 -6.661 7.567 1.00 0.00 H new ATOM 0 HG SER A 40 2.615 -7.733 7.831 1.00 0.00 H new ATOM 573 N LYS A 41 -0.829 -4.842 5.633 1.00 0.00 N ATOM 574 CA LYS A 41 -2.092 -4.121 5.739 1.00 0.00 C ATOM 575 C LYS A 41 -3.007 -4.450 4.565 1.00 0.00 C ATOM 576 O LYS A 41 -4.229 -4.496 4.710 1.00 0.00 O ATOM 577 CB LYS A 41 -1.838 -2.612 5.795 1.00 0.00 C ATOM 578 CG LYS A 41 -2.920 -1.840 6.529 1.00 0.00 C ATOM 579 CD LYS A 41 -2.762 -1.955 8.036 1.00 0.00 C ATOM 580 CE LYS A 41 -4.010 -1.480 8.765 1.00 0.00 C ATOM 581 NZ LYS A 41 -3.896 -1.666 10.238 1.00 0.00 N ATOM 0 H LYS A 41 -0.001 -4.247 5.655 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.585 -4.435 6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.880 -2.431 6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.756 -2.228 4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.881 -0.791 6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.900 -2.216 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.555 -2.991 8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.904 -1.365 8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.181 -0.426 8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.877 -2.028 8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.766 -1.330 10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.758 -2.675 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.084 -1.123 10.595 1.00 0.00 H new ATOM 595 N VAL A 42 -2.408 -4.681 3.400 1.00 0.00 N ATOM 596 CA VAL A 42 -3.170 -5.009 2.201 1.00 0.00 C ATOM 597 C VAL A 42 -3.777 -6.404 2.300 1.00 0.00 C ATOM 598 O VAL A 42 -4.889 -6.642 1.829 1.00 0.00 O ATOM 599 CB VAL A 42 -2.290 -4.933 0.939 1.00 0.00 C ATOM 600 CG1 VAL A 42 -3.102 -5.277 -0.300 1.00 0.00 C ATOM 601 CG2 VAL A 42 -1.663 -3.553 0.810 1.00 0.00 C ATOM 0 H VAL A 42 -1.398 -4.647 3.262 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.970 -4.273 2.123 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.487 -5.665 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.464 -5.218 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.498 -6.288 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.927 -4.572 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.045 -3.517 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.449 -2.801 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.045 -3.351 1.685 1.00 0.00 H new ATOM 611 N ARG A 43 -3.040 -7.322 2.917 1.00 0.00 N ATOM 612 CA ARG A 43 -3.506 -8.694 3.078 1.00 0.00 C ATOM 613 C ARG A 43 -4.494 -8.800 4.236 1.00 0.00 C ATOM 614 O ARG A 43 -5.393 -9.640 4.221 1.00 0.00 O ATOM 615 CB ARG A 43 -2.322 -9.632 3.315 1.00 0.00 C ATOM 616 CG ARG A 43 -1.382 -9.740 2.125 1.00 0.00 C ATOM 617 CD ARG A 43 -0.344 -10.832 2.333 1.00 0.00 C ATOM 618 NE ARG A 43 0.585 -10.506 3.412 1.00 0.00 N ATOM 619 CZ ARG A 43 1.724 -11.156 3.623 1.00 0.00 C ATOM 620 NH1 ARG A 43 2.074 -12.160 2.831 1.00 0.00 N ATOM 621 NH2 ARG A 43 2.516 -10.800 4.626 1.00 0.00 N ATOM 0 H ARG A 43 -2.118 -7.140 3.313 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.016 -8.989 2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.760 -9.282 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.699 -10.625 3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.957 -9.950 1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.881 -8.785 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.847 -11.772 2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.213 -10.983 1.408 1.00 0.00 H new ATOM 0 HE ARG A 43 0.346 -9.737 4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.468 -12.435 2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.949 -12.658 2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.250 -10.027 5.236 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.390 -11.300 4.787 1.00 0.00 H new ATOM 635 N GLU A 44 -4.319 -7.944 5.237 1.00 0.00 N ATOM 636 CA GLU A 44 -5.194 -7.943 6.403 1.00 0.00 C ATOM 637 C GLU A 44 -6.490 -7.193 6.111 1.00 0.00 C ATOM 638 O GLU A 44 -7.585 -7.707 6.344 1.00 0.00 O ATOM 639 CB GLU A 44 -4.484 -7.309 7.601 1.00 0.00 C ATOM 640 CG GLU A 44 -3.231 -8.054 8.031 1.00 0.00 C ATOM 641 CD GLU A 44 -3.543 -9.337 8.778 1.00 0.00 C ATOM 642 OE1 GLU A 44 -4.266 -9.272 9.794 1.00 0.00 O ATOM 643 OE2 GLU A 44 -3.063 -10.406 8.346 1.00 0.00 O ATOM 0 H GLU A 44 -3.579 -7.242 5.264 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.439 -8.978 6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.218 -6.281 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.177 -7.265 8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.631 -8.287 7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.627 -7.406 8.666 1.00 0.00 H new ATOM 650 N THR A 45 -6.358 -5.973 5.599 1.00 0.00 N ATOM 651 CA THR A 45 -7.517 -5.151 5.275 1.00 0.00 C ATOM 652 C THR A 45 -8.619 -5.983 4.629 1.00 0.00 C ATOM 653 O THR A 45 -9.805 -5.702 4.801 1.00 0.00 O ATOM 654 CB THR A 45 -7.140 -3.995 4.329 1.00 0.00 C ATOM 655 OG1 THR A 45 -8.169 -3.000 4.337 1.00 0.00 O ATOM 656 CG2 THR A 45 -6.930 -4.504 2.911 1.00 0.00 C ATOM 0 H THR A 45 -5.460 -5.533 5.400 1.00 0.00 H new ATOM 0 HA THR A 45 -7.882 -4.737 6.215 1.00 0.00 H new ATOM 0 HB THR A 45 -6.208 -3.555 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.002 -2.351 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.665 -3.670 2.261 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.126 -5.240 2.904 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.849 -4.967 2.551 1.00 0.00 H new ATOM 664 N VAL A 46 -8.219 -7.009 3.884 1.00 0.00 N ATOM 665 CA VAL A 46 -9.173 -7.883 3.212 1.00 0.00 C ATOM 666 C VAL A 46 -8.948 -9.341 3.598 1.00 0.00 C ATOM 667 O VAL A 46 -7.893 -9.911 3.324 1.00 0.00 O ATOM 668 CB VAL A 46 -9.077 -7.748 1.681 1.00 0.00 C ATOM 669 CG1 VAL A 46 -7.636 -7.905 1.220 1.00 0.00 C ATOM 670 CG2 VAL A 46 -9.977 -8.768 0.999 1.00 0.00 C ATOM 0 H VAL A 46 -7.241 -7.255 3.731 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.167 -7.574 3.534 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.417 -6.751 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.588 -7.807 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.020 -7.133 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.266 -8.888 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.897 -8.658 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.670 -9.774 1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.010 -8.604 1.305 1.00 0.00 H new ATOM 680 N GLY A 47 -9.949 -9.940 4.237 1.00 0.00 N ATOM 681 CA GLY A 47 -9.841 -11.327 4.650 1.00 0.00 C ATOM 682 C GLY A 47 -9.279 -12.215 3.558 1.00 0.00 C ATOM 683 O GLY A 47 -9.411 -11.912 2.372 1.00 0.00 O ATOM 0 H GLY A 47 -10.832 -9.489 4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.203 -11.392 5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.825 -11.694 4.942 1.00 0.00 H new ATOM 687 N SER A 48 -8.649 -13.315 3.958 1.00 0.00 N ATOM 688 CA SER A 48 -8.059 -14.247 3.004 1.00 0.00 C ATOM 689 C SER A 48 -8.925 -15.495 2.859 1.00 0.00 C ATOM 690 O SER A 48 -8.414 -16.613 2.798 1.00 0.00 O ATOM 691 CB SER A 48 -6.649 -14.640 3.448 1.00 0.00 C ATOM 692 OG SER A 48 -6.018 -15.458 2.477 1.00 0.00 O ATOM 0 H SER A 48 -8.534 -13.583 4.936 1.00 0.00 H new ATOM 0 HA SER A 48 -8.002 -13.750 2.035 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.053 -13.742 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.698 -15.171 4.399 1.00 0.00 H new ATOM 0 HG SER A 48 -6.576 -16.244 2.299 1.00 0.00 H new ATOM 698 N GLN A 49 -10.238 -15.295 2.805 1.00 0.00 N ATOM 699 CA GLN A 49 -11.175 -16.403 2.668 1.00 0.00 C ATOM 700 C GLN A 49 -10.586 -17.509 1.798 1.00 0.00 C ATOM 701 O GLN A 49 -10.725 -18.694 2.103 1.00 0.00 O ATOM 702 CB GLN A 49 -12.493 -15.913 2.068 1.00 0.00 C ATOM 703 CG GLN A 49 -13.436 -15.298 3.090 1.00 0.00 C ATOM 704 CD GLN A 49 -12.908 -13.997 3.661 1.00 0.00 C ATOM 705 OE1 GLN A 49 -11.878 -13.974 4.336 1.00 0.00 O ATOM 706 NE2 GLN A 49 -13.612 -12.903 3.393 1.00 0.00 N ATOM 0 H GLN A 49 -10.677 -14.375 2.854 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.366 -16.810 3.661 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.278 -15.176 1.294 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.994 -16.750 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.405 -15.119 2.624 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.599 -16.007 3.902 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.460 -12.967 2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.305 -11.999 3.751 1.00 0.00 H new ATOM 715 N LEU A 50 -9.929 -17.114 0.712 1.00 0.00 N ATOM 716 CA LEU A 50 -9.319 -18.072 -0.203 1.00 0.00 C ATOM 717 C LEU A 50 -7.921 -18.461 0.267 1.00 0.00 C ATOM 718 O LEU A 50 -6.961 -17.716 0.073 1.00 0.00 O ATOM 719 CB LEU A 50 -9.250 -17.486 -1.614 1.00 0.00 C ATOM 720 CG LEU A 50 -8.298 -18.184 -2.586 1.00 0.00 C ATOM 721 CD1 LEU A 50 -8.738 -19.620 -2.825 1.00 0.00 C ATOM 722 CD2 LEU A 50 -8.223 -17.421 -3.900 1.00 0.00 C ATOM 0 H LEU A 50 -9.806 -16.138 0.444 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.939 -18.968 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.252 -17.504 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.955 -16.439 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.303 -18.200 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.049 -20.101 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.738 -20.163 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.743 -19.627 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.541 -17.932 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.215 -17.373 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.860 -16.410 -3.714 1.00 0.00 H new ATOM 734 N ASP A 51 -7.815 -19.632 0.884 1.00 0.00 N ATOM 735 CA ASP A 51 -6.533 -20.122 1.379 1.00 0.00 C ATOM 736 C ASP A 51 -6.023 -21.273 0.519 1.00 0.00 C ATOM 737 O ASP A 51 -6.732 -21.769 -0.357 1.00 0.00 O ATOM 738 CB ASP A 51 -6.664 -20.575 2.834 1.00 0.00 C ATOM 739 CG ASP A 51 -5.318 -20.828 3.485 1.00 0.00 C ATOM 740 OD1 ASP A 51 -4.368 -20.071 3.195 1.00 0.00 O ATOM 741 OD2 ASP A 51 -5.215 -21.783 4.284 1.00 0.00 O ATOM 0 H ASP A 51 -8.601 -20.260 1.054 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.814 -19.305 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.202 -19.815 3.401 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.261 -21.486 2.876 1.00 0.00 H new ATOM 746 N ARG A 52 -4.788 -21.694 0.774 1.00 0.00 N ATOM 747 CA ARG A 52 -4.181 -22.785 0.021 1.00 0.00 C ATOM 748 C ARG A 52 -4.782 -24.127 0.429 1.00 0.00 C ATOM 749 O ARG A 52 -5.569 -24.203 1.372 1.00 0.00 O ATOM 750 CB ARG A 52 -2.667 -22.804 0.240 1.00 0.00 C ATOM 751 CG ARG A 52 -1.972 -21.527 -0.200 1.00 0.00 C ATOM 752 CD ARG A 52 -1.593 -21.578 -1.672 1.00 0.00 C ATOM 753 NE ARG A 52 -1.396 -20.244 -2.233 1.00 0.00 N ATOM 754 CZ ARG A 52 -0.866 -20.021 -3.431 1.00 0.00 C ATOM 755 NH1 ARG A 52 -0.483 -21.039 -4.189 1.00 0.00 N ATOM 756 NH2 ARG A 52 -0.719 -18.778 -3.872 1.00 0.00 N ATOM 0 H ARG A 52 -4.188 -21.296 1.497 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.386 -22.621 -1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.464 -22.972 1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.240 -23.646 -0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.627 -20.675 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.077 -21.373 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.679 -22.160 -1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.374 -22.094 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.681 -19.439 -1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.595 -21.996 -3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.076 -20.866 -5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.013 -17.993 -3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.312 -18.608 -4.792 1.00 0.00 H new ATOM 770 N GLU A 53 -4.406 -25.181 -0.288 1.00 0.00 N ATOM 771 CA GLU A 53 -4.910 -26.519 -0.001 1.00 0.00 C ATOM 772 C GLU A 53 -3.760 -27.491 0.247 1.00 0.00 C ATOM 773 O GLU A 53 -3.729 -28.188 1.262 1.00 0.00 O ATOM 774 CB GLU A 53 -5.776 -27.021 -1.158 1.00 0.00 C ATOM 775 CG GLU A 53 -7.233 -26.600 -1.055 1.00 0.00 C ATOM 776 CD GLU A 53 -8.069 -27.102 -2.217 1.00 0.00 C ATOM 777 OE1 GLU A 53 -7.598 -27.012 -3.370 1.00 0.00 O ATOM 778 OE2 GLU A 53 -9.194 -27.585 -1.971 1.00 0.00 O ATOM 0 H GLU A 53 -3.754 -25.135 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.519 -26.465 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.365 -26.649 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.723 -28.109 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.651 -26.977 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.291 -25.512 -1.014 1.00 0.00 H new ATOM 785 N LYS A 54 -2.817 -27.533 -0.687 1.00 0.00 N ATOM 786 CA LYS A 54 -1.664 -28.418 -0.572 1.00 0.00 C ATOM 787 C LYS A 54 -1.218 -28.544 0.882 1.00 0.00 C ATOM 788 O LYS A 54 -1.171 -29.644 1.433 1.00 0.00 O ATOM 789 CB LYS A 54 -0.507 -27.897 -1.427 1.00 0.00 C ATOM 790 CG LYS A 54 -0.655 -28.211 -2.906 1.00 0.00 C ATOM 791 CD LYS A 54 -1.795 -27.426 -3.532 1.00 0.00 C ATOM 792 CE LYS A 54 -1.634 -27.317 -5.041 1.00 0.00 C ATOM 793 NZ LYS A 54 -0.425 -26.531 -5.414 1.00 0.00 N ATOM 0 H LYS A 54 -2.828 -26.964 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.958 -29.404 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.429 -26.817 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.426 -28.329 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.276 -27.977 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.833 -29.279 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.743 -27.912 -3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.833 -26.428 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.565 -28.316 -5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.519 -26.846 -5.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.708 -25.711 -5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.055 -26.202 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.223 -27.131 -5.963 1.00 0.00 H new ATOM 807 N ASP A 55 -0.893 -27.412 1.497 1.00 0.00 N ATOM 808 CA ASP A 55 -0.454 -27.396 2.887 1.00 0.00 C ATOM 809 C ASP A 55 -1.523 -26.785 3.788 1.00 0.00 C ATOM 810 O ASP A 55 -1.243 -26.387 4.918 1.00 0.00 O ATOM 811 CB ASP A 55 0.853 -26.614 3.022 1.00 0.00 C ATOM 812 CG ASP A 55 0.917 -25.426 2.082 1.00 0.00 C ATOM 813 OD1 ASP A 55 0.477 -24.328 2.483 1.00 0.00 O ATOM 814 OD2 ASP A 55 1.407 -25.594 0.946 1.00 0.00 O ATOM 0 H ASP A 55 -0.925 -26.494 1.054 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.286 -28.426 3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.961 -26.267 4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.693 -27.279 2.821 1.00 0.00 H new TER 819 ASP A 55 HETATM 820 ZN ZN A 201 0.163 1.834 3.053 1.00 0.00 ZN