USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 670 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 9 SER OG : rot 57:sc=-0.00269 USER MOD Set 1.2: A 29 MET CE :methyl -115:sc= -0.793 (180deg=-1.09!) USER MOD Set 2.1: A 10 SER OG : rot -31:sc= 1.32 USER MOD Set 2.2: A 14 THR OG1 : rot -85:sc= 1.89 USER MOD Set 2.3: A 19 THR OG1 : rot -170:sc= -1.25! USER MOD Single : A 1 GLY N :NH3+ -168:sc= -0.0287 (180deg=-0.269) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -128:sc= -11.7! USER MOD Single : A 13 LYS NZ :NH3+ -150:sc= -0.813 (180deg=-1.83) USER MOD Single : A 15 TYR OH : rot 165:sc= -7.46! USER MOD Single : A 16 CYS SG : rot 150:sc= -1.91! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -59:sc= 0.995 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 76:sc= 0.00123 USER MOD Single : A 34 GLN : amide:sc= -1.87 K(o=-1.9,f=-3.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -1.43 USER MOD Single : A 43 SER OG : rot 180:sc= -2.22! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 142:sc= -11.4! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.81! C(o=-1.8!,f=-2.3!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= -0.786 (180deg=-2.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.766 -6.010 11.513 1.00 0.00 N ATOM 2 CA GLY A 1 11.581 -6.683 11.010 1.00 0.00 C ATOM 3 C GLY A 1 10.318 -5.877 11.321 1.00 0.00 C ATOM 4 O GLY A 1 9.360 -5.894 10.549 1.00 0.00 O ATOM 0 H1 GLY A 1 13.616 -6.462 11.119 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.744 -5.010 11.230 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.788 -6.075 12.551 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.669 -6.826 9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.504 -7.674 11.458 1.00 0.00 H new ATOM 8 N GLU A 2 10.357 -5.189 12.453 1.00 0.00 N ATOM 9 CA GLU A 2 9.227 -4.379 12.877 1.00 0.00 C ATOM 10 C GLU A 2 8.857 -3.375 11.783 1.00 0.00 C ATOM 11 O GLU A 2 7.808 -2.734 11.853 1.00 0.00 O ATOM 12 CB GLU A 2 9.529 -3.667 14.196 1.00 0.00 C ATOM 13 CG GLU A 2 8.846 -4.372 15.369 1.00 0.00 C ATOM 14 CD GLU A 2 7.598 -3.608 15.818 1.00 0.00 C ATOM 15 OE1 GLU A 2 6.564 -3.653 15.136 1.00 0.00 O ATOM 16 OE2 GLU A 2 7.730 -2.949 16.919 1.00 0.00 O ATOM 0 H GLU A 2 11.154 -5.176 13.090 1.00 0.00 H new ATOM 0 HA GLU A 2 8.374 -5.036 13.045 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.606 -3.640 14.361 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.189 -2.633 14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.571 -5.386 15.078 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.543 -4.458 16.202 1.00 0.00 H new ATOM 24 N ALA A 3 9.736 -3.269 10.797 1.00 0.00 N ATOM 25 CA ALA A 3 9.513 -2.353 9.692 1.00 0.00 C ATOM 26 C ALA A 3 8.678 -3.053 8.617 1.00 0.00 C ATOM 27 O ALA A 3 7.820 -2.433 7.991 1.00 0.00 O ATOM 28 CB ALA A 3 10.859 -1.864 9.155 1.00 0.00 C ATOM 0 H ALA A 3 10.604 -3.802 10.741 1.00 0.00 H new ATOM 0 HA ALA A 3 8.957 -1.477 10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.692 -1.177 8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.402 -1.350 9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.443 -2.716 8.808 1.00 0.00 H new ATOM 34 N VAL A 4 8.957 -4.335 8.437 1.00 0.00 N ATOM 35 CA VAL A 4 8.241 -5.126 7.448 1.00 0.00 C ATOM 36 C VAL A 4 6.741 -4.844 7.566 1.00 0.00 C ATOM 37 O VAL A 4 6.008 -4.955 6.586 1.00 0.00 O ATOM 38 CB VAL A 4 8.586 -6.607 7.615 1.00 0.00 C ATOM 39 CG1 VAL A 4 7.416 -7.378 8.231 1.00 0.00 C ATOM 40 CG2 VAL A 4 9.008 -7.224 6.280 1.00 0.00 C ATOM 0 H VAL A 4 9.669 -4.847 8.959 1.00 0.00 H new ATOM 0 HA VAL A 4 8.546 -4.846 6.440 1.00 0.00 H new ATOM 0 HB VAL A 4 9.431 -6.679 8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.688 -8.428 8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.182 -6.962 9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.544 -7.294 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.248 -8.277 6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.192 -7.134 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.885 -6.701 5.899 1.00 0.00 H new ATOM 50 N ILE A 5 6.332 -4.485 8.774 1.00 0.00 N ATOM 51 CA ILE A 5 4.934 -4.186 9.031 1.00 0.00 C ATOM 52 C ILE A 5 4.694 -2.687 8.848 1.00 0.00 C ATOM 53 O ILE A 5 3.981 -2.275 7.934 1.00 0.00 O ATOM 54 CB ILE A 5 4.518 -4.712 10.406 1.00 0.00 C ATOM 55 CG1 ILE A 5 5.434 -5.853 10.858 1.00 0.00 C ATOM 56 CG2 ILE A 5 3.045 -5.123 10.415 1.00 0.00 C ATOM 57 CD1 ILE A 5 6.905 -5.451 10.748 1.00 0.00 C ATOM 0 H ILE A 5 6.944 -4.395 9.585 1.00 0.00 H new ATOM 0 HA ILE A 5 4.297 -4.700 8.312 1.00 0.00 H new ATOM 0 HB ILE A 5 4.630 -3.903 11.128 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.203 -6.123 11.889 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.248 -6.737 10.248 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.777 -5.493 11.405 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.425 -4.261 10.170 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.882 -5.909 9.677 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.534 -6.279 11.075 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.139 -5.205 9.712 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.093 -4.582 11.378 1.00 0.00 H new ATOM 69 N LYS A 6 5.304 -1.910 9.732 1.00 0.00 N ATOM 70 CA LYS A 6 5.166 -0.465 9.679 1.00 0.00 C ATOM 71 C LYS A 6 5.471 0.020 8.260 1.00 0.00 C ATOM 72 O LYS A 6 5.088 1.127 7.883 1.00 0.00 O ATOM 73 CB LYS A 6 6.033 0.196 10.754 1.00 0.00 C ATOM 74 CG LYS A 6 5.317 1.396 11.374 1.00 0.00 C ATOM 75 CD LYS A 6 4.205 0.942 12.324 1.00 0.00 C ATOM 76 CE LYS A 6 4.659 1.036 13.783 1.00 0.00 C ATOM 77 NZ LYS A 6 3.914 0.070 14.621 1.00 0.00 N ATOM 0 H LYS A 6 5.895 -2.255 10.489 1.00 0.00 H new ATOM 0 HA LYS A 6 4.141 -0.172 9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.272 -0.530 11.531 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.978 0.518 10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.035 2.011 11.916 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.895 2.019 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.319 1.559 12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.921 -0.085 12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.728 0.836 13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.500 2.048 14.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.234 0.147 15.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.896 0.279 14.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.087 -0.895 14.275 1.00 0.00 H new ATOM 90 N VAL A 7 6.156 -0.830 7.512 1.00 0.00 N ATOM 91 CA VAL A 7 6.517 -0.502 6.143 1.00 0.00 C ATOM 92 C VAL A 7 5.246 -0.410 5.295 1.00 0.00 C ATOM 93 O VAL A 7 4.824 0.684 4.922 1.00 0.00 O ATOM 94 CB VAL A 7 7.520 -1.524 5.607 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.946 -2.941 5.669 1.00 0.00 C ATOM 96 CG2 VAL A 7 7.955 -1.171 4.183 1.00 0.00 C ATOM 0 H VAL A 7 6.472 -1.747 7.828 1.00 0.00 H new ATOM 0 HA VAL A 7 7.009 0.469 6.099 1.00 0.00 H new ATOM 0 HB VAL A 7 8.403 -1.492 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.680 -3.648 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.710 -3.193 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.039 -2.993 5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.668 -1.914 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.084 -1.161 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.423 -0.187 4.179 1.00 0.00 H new ATOM 106 N ILE A 8 4.675 -1.571 5.015 1.00 0.00 N ATOM 107 CA ILE A 8 3.461 -1.635 4.218 1.00 0.00 C ATOM 108 C ILE A 8 2.490 -0.548 4.686 1.00 0.00 C ATOM 109 O ILE A 8 1.816 0.082 3.872 1.00 0.00 O ATOM 110 CB ILE A 8 2.870 -3.045 4.252 1.00 0.00 C ATOM 111 CG1 ILE A 8 2.564 -3.547 2.841 1.00 0.00 C ATOM 112 CG2 ILE A 8 1.639 -3.101 5.160 1.00 0.00 C ATOM 113 CD1 ILE A 8 1.367 -4.501 2.844 1.00 0.00 C ATOM 0 H ILE A 8 5.030 -2.476 5.325 1.00 0.00 H new ATOM 0 HA ILE A 8 3.683 -1.434 3.170 1.00 0.00 H new ATOM 0 HB ILE A 8 3.616 -3.717 4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.356 -2.700 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.438 -4.056 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.238 -4.114 5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.921 -2.816 6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.880 -2.413 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.172 -4.843 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.587 -5.359 3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.489 -3.982 3.227 1.00 0.00 H new ATOM 125 N SER A 9 2.449 -0.363 5.998 1.00 0.00 N ATOM 126 CA SER A 9 1.572 0.636 6.585 1.00 0.00 C ATOM 127 C SER A 9 2.131 2.038 6.330 1.00 0.00 C ATOM 128 O SER A 9 1.567 2.802 5.548 1.00 0.00 O ATOM 129 CB SER A 9 1.395 0.400 8.086 1.00 0.00 C ATOM 130 OG SER A 9 2.002 -0.818 8.510 1.00 0.00 O ATOM 0 H SER A 9 3.009 -0.888 6.670 1.00 0.00 H new ATOM 0 HA SER A 9 0.593 0.551 6.114 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.830 1.233 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.332 0.378 8.327 1.00 0.00 H new ATOM 0 HG SER A 9 2.954 -0.808 8.276 1.00 0.00 H new ATOM 136 N SER A 10 3.232 2.332 7.005 1.00 0.00 N ATOM 137 CA SER A 10 3.874 3.628 6.863 1.00 0.00 C ATOM 138 C SER A 10 4.171 3.906 5.388 1.00 0.00 C ATOM 139 O SER A 10 3.918 5.004 4.895 1.00 0.00 O ATOM 140 CB SER A 10 5.162 3.699 7.686 1.00 0.00 C ATOM 141 OG SER A 10 5.320 4.965 8.322 1.00 0.00 O ATOM 0 H SER A 10 3.696 1.695 7.652 1.00 0.00 H new ATOM 0 HA SER A 10 3.192 4.390 7.240 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.154 2.913 8.441 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.017 3.510 7.038 1.00 0.00 H new ATOM 0 HG SER A 10 4.913 5.663 7.767 1.00 0.00 H new ATOM 147 N ALA A 11 4.703 2.890 4.723 1.00 0.00 N ATOM 148 CA ALA A 11 5.036 3.010 3.314 1.00 0.00 C ATOM 149 C ALA A 11 3.819 3.530 2.548 1.00 0.00 C ATOM 150 O ALA A 11 3.891 4.568 1.892 1.00 0.00 O ATOM 151 CB ALA A 11 5.524 1.659 2.788 1.00 0.00 C ATOM 0 H ALA A 11 4.911 1.980 5.134 1.00 0.00 H new ATOM 0 HA ALA A 11 5.845 3.727 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.774 1.749 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.408 1.350 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.738 0.914 2.913 1.00 0.00 H new ATOM 157 N CYS A 12 2.729 2.786 2.658 1.00 0.00 N ATOM 158 CA CYS A 12 1.497 3.158 1.984 1.00 0.00 C ATOM 159 C CYS A 12 1.409 4.685 1.953 1.00 0.00 C ATOM 160 O CYS A 12 1.203 5.277 0.894 1.00 0.00 O ATOM 161 CB CYS A 12 0.273 2.529 2.653 1.00 0.00 C ATOM 162 SG CYS A 12 -1.260 3.199 1.911 1.00 0.00 S ATOM 0 H CYS A 12 2.673 1.926 3.204 1.00 0.00 H new ATOM 0 HA CYS A 12 1.508 2.775 0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.300 1.446 2.535 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.288 2.734 3.724 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.047 3.626 2.853 1.00 0.00 H new ATOM 168 N LYS A 13 1.569 5.279 3.126 1.00 0.00 N ATOM 169 CA LYS A 13 1.510 6.726 3.247 1.00 0.00 C ATOM 170 C LYS A 13 2.930 7.295 3.202 1.00 0.00 C ATOM 171 O LYS A 13 3.282 8.021 2.273 1.00 0.00 O ATOM 172 CB LYS A 13 0.726 7.128 4.497 1.00 0.00 C ATOM 173 CG LYS A 13 -0.173 8.334 4.216 1.00 0.00 C ATOM 174 CD LYS A 13 0.053 9.438 5.251 1.00 0.00 C ATOM 175 CE LYS A 13 0.204 8.851 6.656 1.00 0.00 C ATOM 176 NZ LYS A 13 1.570 9.089 7.172 1.00 0.00 N ATOM 0 H LYS A 13 1.740 4.785 4.002 1.00 0.00 H new ATOM 0 HA LYS A 13 0.966 7.157 2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.119 6.288 4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.419 7.366 5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.031 8.720 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.218 8.025 4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.947 10.006 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.784 10.135 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.528 9.302 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.002 7.781 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.835 8.321 7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.241 9.118 6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.596 9.996 7.680 1.00 0.00 H new ATOM 189 N THR A 14 3.707 6.942 4.215 1.00 0.00 N ATOM 190 CA THR A 14 5.080 7.410 4.302 1.00 0.00 C ATOM 191 C THR A 14 5.791 7.232 2.958 1.00 0.00 C ATOM 192 O THR A 14 6.645 8.037 2.592 1.00 0.00 O ATOM 193 CB THR A 14 5.761 6.665 5.452 1.00 0.00 C ATOM 194 OG1 THR A 14 4.855 6.809 6.542 1.00 0.00 O ATOM 195 CG2 THR A 14 7.034 7.365 5.932 1.00 0.00 C ATOM 0 H THR A 14 3.412 6.338 4.982 1.00 0.00 H new ATOM 0 HA THR A 14 5.121 8.478 4.517 1.00 0.00 H new ATOM 0 HB THR A 14 6.003 5.651 5.134 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.020 7.663 6.994 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.477 6.795 6.748 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.745 7.432 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.788 8.368 6.281 1.00 0.00 H new ATOM 203 N TYR A 15 5.410 6.171 2.260 1.00 0.00 N ATOM 204 CA TYR A 15 6.000 5.878 0.966 1.00 0.00 C ATOM 205 C TYR A 15 5.754 7.021 -0.021 1.00 0.00 C ATOM 206 O TYR A 15 6.676 7.761 -0.361 1.00 0.00 O ATOM 207 CB TYR A 15 5.295 4.620 0.457 1.00 0.00 C ATOM 208 CG TYR A 15 6.150 3.760 -0.477 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.170 4.338 -1.205 1.00 0.00 C ATOM 210 CD2 TYR A 15 5.902 2.408 -0.589 1.00 0.00 C ATOM 211 CE1 TYR A 15 7.975 3.529 -2.083 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.708 1.598 -1.468 1.00 0.00 C ATOM 213 CZ TYR A 15 7.705 2.199 -2.171 1.00 0.00 C ATOM 214 OH TYR A 15 8.466 1.436 -3.000 1.00 0.00 O ATOM 0 H TYR A 15 4.701 5.505 2.567 1.00 0.00 H new ATOM 0 HA TYR A 15 7.078 5.746 1.057 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.990 4.016 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.385 4.913 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.364 5.397 -1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.104 1.956 -0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.776 3.969 -2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.524 0.538 -1.566 1.00 0.00 H new ATOM 0 HH TYR A 15 8.329 0.489 -2.790 1.00 0.00 H new ATOM 224 N CYS A 16 4.507 7.128 -0.454 1.00 0.00 N ATOM 225 CA CYS A 16 4.126 8.168 -1.395 1.00 0.00 C ATOM 226 C CYS A 16 3.363 9.252 -0.631 1.00 0.00 C ATOM 227 O CYS A 16 3.680 10.435 -0.742 1.00 0.00 O ATOM 228 CB CYS A 16 3.310 7.606 -2.559 1.00 0.00 C ATOM 229 SG CYS A 16 2.007 8.798 -3.041 1.00 0.00 S ATOM 0 H CYS A 16 3.746 6.511 -0.170 1.00 0.00 H new ATOM 0 HA CYS A 16 5.020 8.603 -1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.963 7.405 -3.408 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.858 6.656 -2.272 1.00 0.00 H new ATOM 0 HG CYS A 16 1.757 8.678 -4.311 1.00 0.00 H new ATOM 235 N GLY A 17 2.371 8.809 0.127 1.00 0.00 N ATOM 236 CA GLY A 17 1.559 9.726 0.909 1.00 0.00 C ATOM 237 C GLY A 17 2.418 10.494 1.916 1.00 0.00 C ATOM 238 O GLY A 17 1.963 11.477 2.501 1.00 0.00 O ATOM 0 H GLY A 17 2.111 7.827 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.055 10.428 0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.782 9.172 1.436 1.00 0.00 H new ATOM 242 N LYS A 18 3.642 10.020 2.087 1.00 0.00 N ATOM 243 CA LYS A 18 4.567 10.651 3.013 1.00 0.00 C ATOM 244 C LYS A 18 4.041 10.490 4.441 1.00 0.00 C ATOM 245 O LYS A 18 3.063 9.782 4.671 1.00 0.00 O ATOM 246 CB LYS A 18 4.822 12.105 2.610 1.00 0.00 C ATOM 247 CG LYS A 18 6.319 12.414 2.588 1.00 0.00 C ATOM 248 CD LYS A 18 6.593 13.747 1.888 1.00 0.00 C ATOM 249 CE LYS A 18 7.833 14.427 2.471 1.00 0.00 C ATOM 250 NZ LYS A 18 7.531 15.829 2.835 1.00 0.00 N ATOM 0 H LYS A 18 4.016 9.206 1.600 1.00 0.00 H new ATOM 0 HA LYS A 18 5.539 10.160 2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.394 12.293 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.320 12.773 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.702 12.449 3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.852 11.613 2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.734 13.579 0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.729 14.403 1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.174 13.882 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.645 14.400 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.383 16.277 3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.227 16.350 1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.771 15.847 3.544 1.00 0.00 H new ATOM 263 N THR A 19 4.714 11.164 5.363 1.00 0.00 N ATOM 264 CA THR A 19 4.326 11.106 6.762 1.00 0.00 C ATOM 265 C THR A 19 3.673 12.422 7.190 1.00 0.00 C ATOM 266 O THR A 19 3.493 12.671 8.381 1.00 0.00 O ATOM 267 CB THR A 19 5.568 10.750 7.582 1.00 0.00 C ATOM 268 OG1 THR A 19 5.549 9.325 7.638 1.00 0.00 O ATOM 269 CG2 THR A 19 5.448 11.181 9.046 1.00 0.00 C ATOM 0 H THR A 19 5.524 11.752 5.168 1.00 0.00 H new ATOM 0 HA THR A 19 3.574 10.336 6.932 1.00 0.00 H new ATOM 0 HB THR A 19 6.444 11.220 7.136 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.223 9.014 8.278 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.356 10.905 9.582 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.311 12.261 9.097 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.592 10.685 9.502 1.00 0.00 H new ATOM 277 N SER A 20 3.337 13.230 6.195 1.00 0.00 N ATOM 278 CA SER A 20 2.707 14.513 6.453 1.00 0.00 C ATOM 279 C SER A 20 1.192 14.339 6.571 1.00 0.00 C ATOM 280 O SER A 20 0.615 14.597 7.626 1.00 0.00 O ATOM 281 CB SER A 20 3.042 15.522 5.353 1.00 0.00 C ATOM 282 OG SER A 20 3.874 16.576 5.830 1.00 0.00 O ATOM 0 H SER A 20 3.489 13.021 5.208 1.00 0.00 H new ATOM 0 HA SER A 20 3.095 14.901 7.395 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.542 15.009 4.531 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.119 15.942 4.953 1.00 0.00 H new ATOM 0 HG SER A 20 4.066 17.198 5.097 1.00 0.00 H new ATOM 288 N PRO A 21 0.576 13.893 5.444 1.00 0.00 N ATOM 289 CA PRO A 21 -0.861 13.681 5.411 1.00 0.00 C ATOM 290 C PRO A 21 -1.247 12.408 6.167 1.00 0.00 C ATOM 291 O PRO A 21 -0.395 11.760 6.772 1.00 0.00 O ATOM 292 CB PRO A 21 -1.217 13.624 3.934 1.00 0.00 C ATOM 293 CG PRO A 21 0.085 13.340 3.203 1.00 0.00 C ATOM 294 CD PRO A 21 1.228 13.578 4.176 1.00 0.00 C ATOM 0 HA PRO A 21 -1.414 14.477 5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.953 12.844 3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.655 14.565 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.102 12.313 2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.183 13.989 2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.862 12.696 4.265 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.866 14.397 3.845 1.00 0.00 H new ATOM 302 N SER A 22 -2.531 12.089 6.110 1.00 0.00 N ATOM 303 CA SER A 22 -3.039 10.905 6.781 1.00 0.00 C ATOM 304 C SER A 22 -4.243 10.346 6.018 1.00 0.00 C ATOM 305 O SER A 22 -5.034 9.584 6.573 1.00 0.00 O ATOM 306 CB SER A 22 -3.426 11.218 8.228 1.00 0.00 C ATOM 307 OG SER A 22 -4.234 10.191 8.799 1.00 0.00 O ATOM 0 H SER A 22 -3.236 12.630 5.609 1.00 0.00 H new ATOM 0 HA SER A 22 -2.249 10.155 6.798 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.523 11.343 8.826 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.965 12.165 8.262 1.00 0.00 H new ATOM 0 HG SER A 22 -5.054 10.089 8.272 1.00 0.00 H new ATOM 313 N LYS A 23 -4.342 10.745 4.760 1.00 0.00 N ATOM 314 CA LYS A 23 -5.436 10.294 3.916 1.00 0.00 C ATOM 315 C LYS A 23 -5.209 8.830 3.536 1.00 0.00 C ATOM 316 O LYS A 23 -4.161 8.480 2.995 1.00 0.00 O ATOM 317 CB LYS A 23 -5.602 11.223 2.712 1.00 0.00 C ATOM 318 CG LYS A 23 -7.068 11.614 2.519 1.00 0.00 C ATOM 319 CD LYS A 23 -7.508 12.630 3.576 1.00 0.00 C ATOM 320 CE LYS A 23 -8.772 12.158 4.297 1.00 0.00 C ATOM 321 NZ LYS A 23 -9.283 13.219 5.195 1.00 0.00 N ATOM 0 H LYS A 23 -3.683 11.376 4.304 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.381 10.341 4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.999 12.120 2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.232 10.729 1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.208 12.036 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.696 10.725 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.706 12.778 4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.693 13.595 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.536 11.892 3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.555 11.259 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.141 12.883 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.558 13.454 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.509 14.067 4.637 1.00 0.00 H new ATOM 334 N LYS A 24 -6.209 8.012 3.833 1.00 0.00 N ATOM 335 CA LYS A 24 -6.132 6.594 3.530 1.00 0.00 C ATOM 336 C LYS A 24 -4.690 6.115 3.714 1.00 0.00 C ATOM 337 O LYS A 24 -4.132 5.464 2.833 1.00 0.00 O ATOM 338 CB LYS A 24 -6.700 6.313 2.136 1.00 0.00 C ATOM 339 CG LYS A 24 -8.031 7.038 1.931 1.00 0.00 C ATOM 340 CD LYS A 24 -7.912 8.104 0.839 1.00 0.00 C ATOM 341 CE LYS A 24 -9.243 8.295 0.112 1.00 0.00 C ATOM 342 NZ LYS A 24 -10.050 9.346 0.773 1.00 0.00 N ATOM 0 H LYS A 24 -7.077 8.306 4.281 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.749 6.022 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.986 6.634 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.842 5.240 2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.803 6.318 1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.344 7.503 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.596 9.049 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.142 7.813 0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.060 8.568 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.796 7.356 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.951 9.462 0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.240 9.070 1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.527 10.245 0.760 1.00 0.00 H new ATOM 355 N GLU A 25 -4.130 6.455 4.866 1.00 0.00 N ATOM 356 CA GLU A 25 -2.765 6.068 5.177 1.00 0.00 C ATOM 357 C GLU A 25 -2.688 4.564 5.442 1.00 0.00 C ATOM 358 O GLU A 25 -2.726 3.762 4.510 1.00 0.00 O ATOM 359 CB GLU A 25 -2.227 6.863 6.368 1.00 0.00 C ATOM 360 CG GLU A 25 -3.294 7.011 7.455 1.00 0.00 C ATOM 361 CD GLU A 25 -2.657 7.052 8.845 1.00 0.00 C ATOM 362 OE1 GLU A 25 -2.127 8.097 9.253 1.00 0.00 O ATOM 363 OE2 GLU A 25 -2.728 5.950 9.512 1.00 0.00 O ATOM 0 H GLU A 25 -4.597 6.994 5.595 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.138 6.298 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.351 6.361 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.903 7.849 6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.866 7.923 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.996 6.179 7.397 1.00 0.00 H new ATOM 371 N ILE A 26 -2.580 4.225 6.719 1.00 0.00 N ATOM 372 CA ILE A 26 -2.497 2.830 7.119 1.00 0.00 C ATOM 373 C ILE A 26 -3.639 2.049 6.467 1.00 0.00 C ATOM 374 O ILE A 26 -3.488 0.869 6.153 1.00 0.00 O ATOM 375 CB ILE A 26 -2.464 2.712 8.643 1.00 0.00 C ATOM 376 CG1 ILE A 26 -1.255 3.449 9.224 1.00 0.00 C ATOM 377 CG2 ILE A 26 -2.505 1.246 9.080 1.00 0.00 C ATOM 378 CD1 ILE A 26 -1.456 3.744 10.713 1.00 0.00 C ATOM 0 H ILE A 26 -2.548 4.892 7.490 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.565 2.387 6.767 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.357 3.193 9.042 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.357 2.847 9.087 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.099 4.382 8.683 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.480 1.190 10.168 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.421 0.783 8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.643 0.720 8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.583 4.268 11.101 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.341 4.367 10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.588 2.807 11.255 1.00 0.00 H new ATOM 390 N GLY A 27 -4.756 2.738 6.281 1.00 0.00 N ATOM 391 CA GLY A 27 -5.923 2.122 5.673 1.00 0.00 C ATOM 392 C GLY A 27 -5.554 1.435 4.356 1.00 0.00 C ATOM 393 O GLY A 27 -5.665 0.216 4.236 1.00 0.00 O ATOM 0 H GLY A 27 -4.877 3.717 6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.354 1.393 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.686 2.879 5.492 1.00 0.00 H new ATOM 397 N ALA A 28 -5.128 2.248 3.401 1.00 0.00 N ATOM 398 CA ALA A 28 -4.743 1.734 2.097 1.00 0.00 C ATOM 399 C ALA A 28 -3.797 0.544 2.281 1.00 0.00 C ATOM 400 O ALA A 28 -3.967 -0.492 1.641 1.00 0.00 O ATOM 401 CB ALA A 28 -4.114 2.857 1.271 1.00 0.00 C ATOM 0 H ALA A 28 -5.041 3.259 3.504 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.617 1.379 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.825 2.472 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.836 3.664 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.232 3.237 1.786 1.00 0.00 H new ATOM 407 N MET A 29 -2.823 0.734 3.159 1.00 0.00 N ATOM 408 CA MET A 29 -1.851 -0.310 3.435 1.00 0.00 C ATOM 409 C MET A 29 -2.540 -1.661 3.639 1.00 0.00 C ATOM 410 O MET A 29 -2.194 -2.643 2.984 1.00 0.00 O ATOM 411 CB MET A 29 -1.056 0.052 4.690 1.00 0.00 C ATOM 412 CG MET A 29 -0.767 -1.190 5.535 1.00 0.00 C ATOM 413 SD MET A 29 -1.736 -1.151 7.033 1.00 0.00 S ATOM 414 CE MET A 29 -0.718 -2.167 8.089 1.00 0.00 C ATOM 0 H MET A 29 -2.686 1.595 3.688 1.00 0.00 H new ATOM 0 HA MET A 29 -1.180 -0.391 2.580 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.118 0.529 4.405 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.615 0.777 5.282 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.000 -2.089 4.965 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.294 -1.234 5.780 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.258 -3.078 8.348 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.202 -2.427 7.566 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.475 -1.618 8.999 1.00 0.00 H new ATOM 424 N LEU A 30 -3.503 -1.667 4.549 1.00 0.00 N ATOM 425 CA LEU A 30 -4.242 -2.880 4.848 1.00 0.00 C ATOM 426 C LEU A 30 -5.333 -3.080 3.792 1.00 0.00 C ATOM 427 O LEU A 30 -5.362 -4.105 3.111 1.00 0.00 O ATOM 428 CB LEU A 30 -4.775 -2.846 6.280 1.00 0.00 C ATOM 429 CG LEU A 30 -3.994 -3.672 7.306 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.268 -3.180 8.729 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.292 -5.164 7.148 1.00 0.00 C ATOM 0 H LEU A 30 -3.788 -0.850 5.089 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.584 -3.747 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.793 -1.809 6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.807 -3.196 6.271 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.929 -3.534 7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.701 -3.783 9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.966 -2.136 8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.332 -3.269 8.946 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.725 -5.729 7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.358 -5.340 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.006 -5.488 6.147 1.00 0.00 H new ATOM 443 N SER A 31 -6.201 -2.086 3.689 1.00 0.00 N ATOM 444 CA SER A 31 -7.291 -2.139 2.729 1.00 0.00 C ATOM 445 C SER A 31 -6.748 -2.489 1.341 1.00 0.00 C ATOM 446 O SER A 31 -7.458 -3.071 0.523 1.00 0.00 O ATOM 447 CB SER A 31 -8.049 -0.810 2.682 1.00 0.00 C ATOM 448 OG SER A 31 -8.662 -0.502 3.930 1.00 0.00 O ATOM 0 H SER A 31 -6.172 -1.238 4.255 1.00 0.00 H new ATOM 0 HA SER A 31 -7.989 -2.914 3.046 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.361 -0.010 2.408 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.812 -0.855 1.905 1.00 0.00 H new ATOM 0 HG SER A 31 -7.979 -0.197 4.563 1.00 0.00 H new ATOM 454 N LEU A 32 -5.495 -2.121 1.122 1.00 0.00 N ATOM 455 CA LEU A 32 -4.849 -2.389 -0.153 1.00 0.00 C ATOM 456 C LEU A 32 -4.566 -3.888 -0.270 1.00 0.00 C ATOM 457 O LEU A 32 -5.181 -4.577 -1.084 1.00 0.00 O ATOM 458 CB LEU A 32 -3.605 -1.514 -0.317 1.00 0.00 C ATOM 459 CG LEU A 32 -3.779 -0.253 -1.165 1.00 0.00 C ATOM 460 CD1 LEU A 32 -3.848 -0.599 -2.655 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.997 0.552 -0.707 1.00 0.00 C ATOM 0 H LEU A 32 -4.909 -1.640 1.805 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.509 -2.123 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.261 -1.217 0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.815 -2.120 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.903 0.379 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.972 0.315 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.927 -1.098 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.695 -1.261 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.098 1.443 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.894 -0.060 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.868 0.847 0.334 1.00 0.00 H new ATOM 473 N LEU A 33 -3.637 -4.350 0.554 1.00 0.00 N ATOM 474 CA LEU A 33 -3.265 -5.753 0.552 1.00 0.00 C ATOM 475 C LEU A 33 -4.361 -6.567 1.245 1.00 0.00 C ATOM 476 O LEU A 33 -4.775 -7.611 0.743 1.00 0.00 O ATOM 477 CB LEU A 33 -1.877 -5.942 1.168 1.00 0.00 C ATOM 478 CG LEU A 33 -0.740 -5.161 0.507 1.00 0.00 C ATOM 479 CD1 LEU A 33 -0.143 -5.946 -0.663 1.00 0.00 C ATOM 480 CD2 LEU A 33 -1.206 -3.767 0.083 1.00 0.00 C ATOM 0 H LEU A 33 -3.131 -3.776 1.228 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.187 -6.124 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.925 -5.656 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.629 -7.003 1.137 1.00 0.00 H new ATOM 0 HG LEU A 33 0.053 -5.026 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.663 -5.368 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.250 -6.896 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.917 -6.134 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.378 -3.233 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.027 -3.858 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.546 -3.215 0.959 1.00 0.00 H new ATOM 492 N GLN A 34 -4.798 -6.059 2.388 1.00 0.00 N ATOM 493 CA GLN A 34 -5.838 -6.726 3.154 1.00 0.00 C ATOM 494 C GLN A 34 -7.177 -6.639 2.420 1.00 0.00 C ATOM 495 O GLN A 34 -8.182 -7.171 2.890 1.00 0.00 O ATOM 496 CB GLN A 34 -5.945 -6.133 4.562 1.00 0.00 C ATOM 497 CG GLN A 34 -5.903 -7.235 5.624 1.00 0.00 C ATOM 498 CD GLN A 34 -7.034 -7.061 6.638 1.00 0.00 C ATOM 499 OE1 GLN A 34 -7.441 -5.961 6.973 1.00 0.00 O ATOM 500 NE2 GLN A 34 -7.519 -8.206 7.108 1.00 0.00 N ATOM 0 H GLN A 34 -4.451 -5.194 2.802 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.570 -7.778 3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.128 -5.431 4.728 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.873 -5.569 4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.986 -8.210 5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.942 -7.213 6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.133 -9.094 6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.277 -8.197 7.791 1.00 0.00 H new ATOM 509 N LYS A 35 -7.148 -5.965 1.280 1.00 0.00 N ATOM 510 CA LYS A 35 -8.347 -5.802 0.476 1.00 0.00 C ATOM 511 C LYS A 35 -8.032 -6.153 -0.980 1.00 0.00 C ATOM 512 O LYS A 35 -8.699 -5.674 -1.896 1.00 0.00 O ATOM 513 CB LYS A 35 -8.928 -4.398 0.658 1.00 0.00 C ATOM 514 CG LYS A 35 -10.440 -4.456 0.894 1.00 0.00 C ATOM 515 CD LYS A 35 -11.198 -4.560 -0.432 1.00 0.00 C ATOM 516 CE LYS A 35 -11.913 -5.908 -0.549 1.00 0.00 C ATOM 517 NZ LYS A 35 -13.381 -5.715 -0.570 1.00 0.00 N ATOM 0 H LYS A 35 -6.313 -5.525 0.894 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.125 -6.489 0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.443 -3.907 1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.717 -3.796 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.681 -5.313 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.762 -3.565 1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.925 -3.751 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.503 -4.439 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.594 -6.418 -1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.636 -6.547 0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.852 -6.639 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.682 -5.248 0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.642 -5.122 -1.384 1.00 0.00 H new ATOM 530 N GLU A 36 -7.015 -6.987 -1.148 1.00 0.00 N ATOM 531 CA GLU A 36 -6.604 -7.407 -2.475 1.00 0.00 C ATOM 532 C GLU A 36 -6.402 -8.923 -2.514 1.00 0.00 C ATOM 533 O GLU A 36 -5.963 -9.469 -3.525 1.00 0.00 O ATOM 534 CB GLU A 36 -5.335 -6.673 -2.914 1.00 0.00 C ATOM 535 CG GLU A 36 -5.674 -5.471 -3.797 1.00 0.00 C ATOM 536 CD GLU A 36 -6.748 -5.831 -4.826 1.00 0.00 C ATOM 537 OE1 GLU A 36 -7.762 -5.127 -4.936 1.00 0.00 O ATOM 538 OE2 GLU A 36 -6.499 -6.884 -5.527 1.00 0.00 O ATOM 0 H GLU A 36 -6.464 -7.382 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.396 -7.148 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.782 -6.339 -2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.685 -7.357 -3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.023 -4.646 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.776 -5.127 -4.309 1.00 0.00 H new ATOM 546 N GLY A 37 -6.729 -9.559 -1.398 1.00 0.00 N ATOM 547 CA GLY A 37 -6.590 -11.002 -1.292 1.00 0.00 C ATOM 548 C GLY A 37 -5.262 -11.470 -1.890 1.00 0.00 C ATOM 549 O GLY A 37 -5.115 -12.637 -2.251 1.00 0.00 O ATOM 0 H GLY A 37 -7.089 -9.102 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.647 -11.301 -0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.417 -11.490 -1.808 1.00 0.00 H new ATOM 553 N LEU A 38 -4.326 -10.535 -1.980 1.00 0.00 N ATOM 554 CA LEU A 38 -3.016 -10.836 -2.528 1.00 0.00 C ATOM 555 C LEU A 38 -1.945 -10.532 -1.477 1.00 0.00 C ATOM 556 O LEU A 38 -0.811 -10.200 -1.820 1.00 0.00 O ATOM 557 CB LEU A 38 -2.806 -10.097 -3.851 1.00 0.00 C ATOM 558 CG LEU A 38 -1.358 -9.749 -4.203 1.00 0.00 C ATOM 559 CD1 LEU A 38 -1.150 -9.739 -5.719 1.00 0.00 C ATOM 560 CD2 LEU A 38 -0.939 -8.427 -3.558 1.00 0.00 C ATOM 0 H LEU A 38 -4.451 -9.568 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.938 -11.897 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.218 -10.708 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.384 -9.174 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.711 -10.525 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.113 -9.489 -5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.381 -10.724 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.808 -8.997 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.094 -8.204 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.587 -7.627 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.025 -8.507 -2.474 1.00 0.00 H new ATOM 572 N LEU A 39 -2.344 -10.656 -0.220 1.00 0.00 N ATOM 573 CA LEU A 39 -1.433 -10.399 0.882 1.00 0.00 C ATOM 574 C LEU A 39 -1.115 -11.717 1.594 1.00 0.00 C ATOM 575 O LEU A 39 -1.921 -12.645 1.577 1.00 0.00 O ATOM 576 CB LEU A 39 -2.003 -9.322 1.808 1.00 0.00 C ATOM 577 CG LEU A 39 -0.987 -8.589 2.688 1.00 0.00 C ATOM 578 CD1 LEU A 39 -0.698 -9.377 3.965 1.00 0.00 C ATOM 579 CD2 LEU A 39 0.289 -8.275 1.905 1.00 0.00 C ATOM 0 H LEU A 39 -3.286 -10.931 0.060 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.489 -10.001 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.524 -8.585 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.748 -9.784 2.455 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.421 -7.636 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.027 -8.834 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.621 -9.505 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.293 -10.355 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.994 -7.754 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.737 -9.204 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.046 -7.643 1.051 1.00 0.00 H new ATOM 591 N MET A 40 0.061 -11.755 2.202 1.00 0.00 N ATOM 592 CA MET A 40 0.495 -12.942 2.918 1.00 0.00 C ATOM 593 C MET A 40 1.167 -12.570 4.242 1.00 0.00 C ATOM 594 O MET A 40 1.243 -13.389 5.156 1.00 0.00 O ATOM 595 CB MET A 40 1.478 -13.731 2.051 1.00 0.00 C ATOM 596 CG MET A 40 1.155 -15.226 2.078 1.00 0.00 C ATOM 597 SD MET A 40 0.949 -15.834 0.412 1.00 0.00 S ATOM 598 CE MET A 40 1.087 -17.590 0.704 1.00 0.00 C ATOM 0 H MET A 40 0.727 -10.983 2.214 1.00 0.00 H new ATOM 0 HA MET A 40 -0.382 -13.552 3.136 1.00 0.00 H new ATOM 0 HB2 MET A 40 1.438 -13.365 1.025 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.495 -13.568 2.408 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.956 -15.771 2.577 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.245 -15.400 2.653 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.981 -18.125 -0.240 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.062 -17.811 1.139 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.303 -17.907 1.391 1.00 0.00 H new ATOM 608 N SER A 41 1.637 -11.332 4.302 1.00 0.00 N ATOM 609 CA SER A 41 2.299 -10.841 5.499 1.00 0.00 C ATOM 610 C SER A 41 3.053 -9.548 5.187 1.00 0.00 C ATOM 611 O SER A 41 3.206 -9.179 4.022 1.00 0.00 O ATOM 612 CB SER A 41 3.256 -11.890 6.069 1.00 0.00 C ATOM 613 OG SER A 41 4.582 -11.384 6.204 1.00 0.00 O ATOM 0 H SER A 41 1.572 -10.655 3.542 1.00 0.00 H new ATOM 0 HA SER A 41 1.537 -10.637 6.252 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.893 -12.221 7.042 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.266 -12.764 5.418 1.00 0.00 H new ATOM 0 HG SER A 41 5.163 -12.082 6.572 1.00 0.00 H new ATOM 619 N PRO A 42 3.518 -8.875 6.273 1.00 0.00 N ATOM 620 CA PRO A 42 4.254 -7.632 6.126 1.00 0.00 C ATOM 621 C PRO A 42 5.679 -7.892 5.634 1.00 0.00 C ATOM 622 O PRO A 42 6.564 -7.057 5.818 1.00 0.00 O ATOM 623 CB PRO A 42 4.207 -6.982 7.499 1.00 0.00 C ATOM 624 CG PRO A 42 3.854 -8.094 8.473 1.00 0.00 C ATOM 625 CD PRO A 42 3.356 -9.281 7.667 1.00 0.00 C ATOM 0 HA PRO A 42 3.820 -6.973 5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.167 -6.532 7.751 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.464 -6.185 7.529 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.726 -8.374 9.065 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.088 -7.759 9.172 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.932 -10.180 7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.314 -9.506 7.896 1.00 0.00 H new ATOM 633 N SER A 43 5.856 -9.051 5.021 1.00 0.00 N ATOM 634 CA SER A 43 7.159 -9.432 4.501 1.00 0.00 C ATOM 635 C SER A 43 7.508 -8.574 3.285 1.00 0.00 C ATOM 636 O SER A 43 8.676 -8.466 2.912 1.00 0.00 O ATOM 637 CB SER A 43 7.193 -10.917 4.132 1.00 0.00 C ATOM 638 OG SER A 43 8.383 -11.266 3.431 1.00 0.00 O ATOM 0 H SER A 43 5.119 -9.740 4.872 1.00 0.00 H new ATOM 0 HA SER A 43 7.901 -9.263 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.117 -11.518 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.326 -11.158 3.517 1.00 0.00 H new ATOM 0 HG SER A 43 8.367 -12.222 3.215 1.00 0.00 H new ATOM 644 N ASP A 44 6.476 -7.987 2.699 1.00 0.00 N ATOM 645 CA ASP A 44 6.659 -7.141 1.531 1.00 0.00 C ATOM 646 C ASP A 44 7.922 -6.296 1.712 1.00 0.00 C ATOM 647 O ASP A 44 8.543 -5.885 0.733 1.00 0.00 O ATOM 648 CB ASP A 44 5.475 -6.189 1.348 1.00 0.00 C ATOM 649 CG ASP A 44 5.264 -5.687 -0.082 1.00 0.00 C ATOM 650 OD1 ASP A 44 4.388 -6.180 -0.808 1.00 0.00 O ATOM 651 OD2 ASP A 44 6.055 -4.736 -0.447 1.00 0.00 O ATOM 0 H ASP A 44 5.509 -8.080 3.011 1.00 0.00 H new ATOM 0 HA ASP A 44 6.740 -7.787 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.567 -6.695 1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.616 -5.328 2.002 1.00 0.00 H new ATOM 657 N LEU A 45 8.263 -6.061 2.970 1.00 0.00 N ATOM 658 CA LEU A 45 9.440 -5.273 3.292 1.00 0.00 C ATOM 659 C LEU A 45 10.663 -6.190 3.350 1.00 0.00 C ATOM 660 O LEU A 45 11.766 -5.783 2.988 1.00 0.00 O ATOM 661 CB LEU A 45 9.213 -4.469 4.574 1.00 0.00 C ATOM 662 CG LEU A 45 10.472 -4.035 5.326 1.00 0.00 C ATOM 663 CD1 LEU A 45 10.208 -2.779 6.160 1.00 0.00 C ATOM 664 CD2 LEU A 45 11.027 -5.181 6.176 1.00 0.00 C ATOM 0 H LEU A 45 7.744 -6.403 3.779 1.00 0.00 H new ATOM 0 HA LEU A 45 9.630 -4.537 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.638 -3.577 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.598 -5.065 5.249 1.00 0.00 H new ATOM 0 HG LEU A 45 11.236 -3.779 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.120 -2.492 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.895 -1.966 5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.421 -2.983 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.922 -4.845 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.276 -5.492 6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.279 -6.023 5.531 1.00 0.00 H new ATOM 676 N TYR A 46 10.427 -7.410 3.807 1.00 0.00 N ATOM 677 CA TYR A 46 11.496 -8.389 3.918 1.00 0.00 C ATOM 678 C TYR A 46 12.214 -8.568 2.580 1.00 0.00 C ATOM 679 O TYR A 46 13.292 -9.161 2.523 1.00 0.00 O ATOM 680 CB TYR A 46 10.822 -9.708 4.302 1.00 0.00 C ATOM 681 CG TYR A 46 10.395 -9.783 5.769 1.00 0.00 C ATOM 682 CD1 TYR A 46 10.965 -8.937 6.699 1.00 0.00 C ATOM 683 CD2 TYR A 46 9.439 -10.698 6.162 1.00 0.00 C ATOM 684 CE1 TYR A 46 10.562 -9.009 8.078 1.00 0.00 C ATOM 685 CE2 TYR A 46 9.036 -10.770 7.544 1.00 0.00 C ATOM 686 CZ TYR A 46 9.618 -9.921 8.433 1.00 0.00 C ATOM 687 OH TYR A 46 9.238 -9.989 9.737 1.00 0.00 O ATOM 0 H TYR A 46 9.511 -7.744 4.105 1.00 0.00 H new ATOM 0 HA TYR A 46 12.236 -8.069 4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.945 -9.854 3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.507 -10.529 4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.713 -8.221 6.391 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.993 -11.360 5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.000 -8.353 8.816 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.290 -11.481 7.866 1.00 0.00 H new ATOM 0 HH TYR A 46 8.556 -10.685 9.843 1.00 0.00 H new ATOM 697 N SER A 47 11.589 -8.045 1.533 1.00 0.00 N ATOM 698 CA SER A 47 12.157 -8.141 0.199 1.00 0.00 C ATOM 699 C SER A 47 11.748 -6.922 -0.632 1.00 0.00 C ATOM 700 O SER A 47 10.579 -6.541 -0.645 1.00 0.00 O ATOM 701 CB SER A 47 11.714 -9.429 -0.497 1.00 0.00 C ATOM 702 OG SER A 47 12.465 -9.682 -1.682 1.00 0.00 O ATOM 0 H SER A 47 10.696 -7.554 1.583 1.00 0.00 H new ATOM 0 HA SER A 47 13.243 -8.164 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.826 -10.269 0.189 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.655 -9.360 -0.747 1.00 0.00 H new ATOM 0 HG SER A 47 12.153 -10.514 -2.096 1.00 0.00 H new ATOM 708 N PRO A 48 12.760 -6.331 -1.320 1.00 0.00 N ATOM 709 CA PRO A 48 12.518 -5.162 -2.151 1.00 0.00 C ATOM 710 C PRO A 48 11.814 -5.553 -3.452 1.00 0.00 C ATOM 711 O PRO A 48 12.259 -6.457 -4.156 1.00 0.00 O ATOM 712 CB PRO A 48 13.890 -4.550 -2.378 1.00 0.00 C ATOM 713 CG PRO A 48 14.894 -5.647 -2.061 1.00 0.00 C ATOM 714 CD PRO A 48 14.157 -6.756 -1.326 1.00 0.00 C ATOM 0 HA PRO A 48 11.849 -4.441 -1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.999 -4.206 -3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.042 -3.683 -1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 48 15.343 -6.030 -2.977 1.00 0.00 H new ATOM 0 HG3 PRO A 48 15.705 -5.256 -1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 48 14.277 -7.714 -1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 48 14.538 -6.880 -0.312 1.00 0.00 H new ATOM 722 N GLY A 49 10.725 -4.849 -3.731 1.00 0.00 N ATOM 723 CA GLY A 49 9.956 -5.110 -4.936 1.00 0.00 C ATOM 724 C GLY A 49 8.880 -6.167 -4.680 1.00 0.00 C ATOM 725 O GLY A 49 8.957 -7.278 -5.204 1.00 0.00 O ATOM 0 H GLY A 49 10.358 -4.100 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.490 -4.187 -5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.621 -5.448 -5.731 1.00 0.00 H new ATOM 729 N SER A 50 7.900 -5.785 -3.874 1.00 0.00 N ATOM 730 CA SER A 50 6.809 -6.686 -3.542 1.00 0.00 C ATOM 731 C SER A 50 5.473 -5.946 -3.633 1.00 0.00 C ATOM 732 O SER A 50 4.444 -6.459 -3.195 1.00 0.00 O ATOM 733 CB SER A 50 6.992 -7.281 -2.144 1.00 0.00 C ATOM 734 OG SER A 50 7.357 -8.657 -2.193 1.00 0.00 O ATOM 0 H SER A 50 7.839 -4.864 -3.441 1.00 0.00 H new ATOM 0 HA SER A 50 6.812 -7.506 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.759 -6.721 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.066 -7.171 -1.579 1.00 0.00 H new ATOM 0 HG SER A 50 7.466 -8.999 -1.281 1.00 0.00 H new ATOM 740 N TRP A 51 5.532 -4.752 -4.205 1.00 0.00 N ATOM 741 CA TRP A 51 4.339 -3.937 -4.360 1.00 0.00 C ATOM 742 C TRP A 51 3.782 -4.175 -5.765 1.00 0.00 C ATOM 743 O TRP A 51 2.749 -3.617 -6.130 1.00 0.00 O ATOM 744 CB TRP A 51 4.641 -2.464 -4.078 1.00 0.00 C ATOM 745 CG TRP A 51 4.759 -2.126 -2.590 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.670 -2.568 -1.713 1.00 0.00 C ATOM 747 CD2 TRP A 51 3.893 -1.251 -1.837 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.455 -2.044 -0.454 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.342 -1.217 -0.532 1.00 0.00 C ATOM 750 CE3 TRP A 51 2.769 -0.510 -2.246 1.00 0.00 C ATOM 751 CZ2 TRP A 51 3.725 -0.460 0.471 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.164 0.240 -1.231 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.603 0.285 0.087 1.00 0.00 C ATOM 0 H TRP A 51 6.387 -4.330 -4.567 1.00 0.00 H new ATOM 0 HA TRP A 51 3.580 -4.223 -3.632 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.572 -2.193 -4.576 1.00 0.00 H new ATOM 0 HB3 TRP A 51 3.854 -1.852 -4.518 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.472 -3.248 -1.960 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.011 -2.230 0.380 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.402 -0.519 -3.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.094 -0.451 1.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.294 0.825 -1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.081 0.892 0.812 1.00 0.00 H new ATOM 764 N ASP A 52 4.494 -5.004 -6.516 1.00 0.00 N ATOM 765 CA ASP A 52 4.082 -5.322 -7.872 1.00 0.00 C ATOM 766 C ASP A 52 2.872 -6.259 -7.829 1.00 0.00 C ATOM 767 O ASP A 52 2.122 -6.355 -8.799 1.00 0.00 O ATOM 768 CB ASP A 52 5.202 -6.034 -8.634 1.00 0.00 C ATOM 769 CG ASP A 52 5.391 -5.578 -10.082 1.00 0.00 C ATOM 770 OD1 ASP A 52 5.444 -6.400 -11.009 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.487 -4.302 -10.243 1.00 0.00 O ATOM 0 H ASP A 52 5.352 -5.464 -6.211 1.00 0.00 H new ATOM 0 HA ASP A 52 3.837 -4.388 -8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.138 -5.884 -8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.000 -7.105 -8.630 1.00 0.00 H new ATOM 777 N PRO A 53 2.715 -6.940 -6.662 1.00 0.00 N ATOM 778 CA PRO A 53 1.609 -7.865 -6.480 1.00 0.00 C ATOM 779 C PRO A 53 0.296 -7.111 -6.255 1.00 0.00 C ATOM 780 O PRO A 53 -0.731 -7.458 -6.837 1.00 0.00 O ATOM 781 CB PRO A 53 2.009 -8.726 -5.293 1.00 0.00 C ATOM 782 CG PRO A 53 3.103 -7.957 -4.569 1.00 0.00 C ATOM 783 CD PRO A 53 3.583 -6.850 -5.492 1.00 0.00 C ATOM 0 HA PRO A 53 1.427 -8.482 -7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.158 -8.905 -4.636 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.369 -9.701 -5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.723 -7.539 -3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.927 -8.621 -4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.503 -5.874 -5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.630 -6.987 -5.764 1.00 0.00 H new ATOM 791 N ILE A 54 0.372 -6.093 -5.411 1.00 0.00 N ATOM 792 CA ILE A 54 -0.797 -5.288 -5.102 1.00 0.00 C ATOM 793 C ILE A 54 -1.142 -4.414 -6.310 1.00 0.00 C ATOM 794 O ILE A 54 -2.282 -3.974 -6.457 1.00 0.00 O ATOM 795 CB ILE A 54 -0.576 -4.494 -3.813 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.861 -4.425 -2.985 1.00 0.00 C ATOM 797 CG2 ILE A 54 -0.012 -3.103 -4.114 1.00 0.00 C ATOM 798 CD1 ILE A 54 -2.226 -2.975 -2.659 1.00 0.00 C ATOM 0 H ILE A 54 1.226 -5.807 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.660 -5.927 -4.912 1.00 0.00 H new ATOM 0 HB ILE A 54 0.167 -5.019 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.677 -4.895 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.733 -4.988 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.135 -2.560 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.942 -3.201 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.712 -2.555 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.143 -2.954 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.418 -2.516 -2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.377 -2.421 -3.585 1.00 0.00 H new ATOM 810 N THR A 55 -0.138 -4.190 -7.144 1.00 0.00 N ATOM 811 CA THR A 55 -0.321 -3.377 -8.334 1.00 0.00 C ATOM 812 C THR A 55 -1.368 -4.007 -9.254 1.00 0.00 C ATOM 813 O THR A 55 -2.368 -3.372 -9.589 1.00 0.00 O ATOM 814 CB THR A 55 1.045 -3.200 -9.002 1.00 0.00 C ATOM 815 OG1 THR A 55 1.559 -2.000 -8.429 1.00 0.00 O ATOM 816 CG2 THR A 55 0.933 -2.883 -10.494 1.00 0.00 C ATOM 0 H THR A 55 0.805 -4.557 -7.019 1.00 0.00 H new ATOM 0 HA THR A 55 -0.706 -2.389 -8.082 1.00 0.00 H new ATOM 0 HB THR A 55 1.633 -4.108 -8.869 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.523 -2.095 -8.281 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.931 -2.768 -10.917 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.416 -3.697 -11.001 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.373 -1.958 -10.628 1.00 0.00 H new ATOM 824 N ALA A 56 -1.103 -5.248 -9.637 1.00 0.00 N ATOM 825 CA ALA A 56 -2.012 -5.970 -10.511 1.00 0.00 C ATOM 826 C ALA A 56 -3.201 -6.482 -9.696 1.00 0.00 C ATOM 827 O ALA A 56 -4.209 -6.902 -10.259 1.00 0.00 O ATOM 828 CB ALA A 56 -1.255 -7.101 -11.210 1.00 0.00 C ATOM 0 H ALA A 56 -0.273 -5.771 -9.358 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.404 -5.310 -11.285 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.936 -7.643 -11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.439 -6.683 -11.800 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.850 -7.784 -10.463 1.00 0.00 H new ATOM 834 N ALA A 57 -3.044 -6.426 -8.382 1.00 0.00 N ATOM 835 CA ALA A 57 -4.092 -6.877 -7.483 1.00 0.00 C ATOM 836 C ALA A 57 -5.364 -6.068 -7.743 1.00 0.00 C ATOM 837 O ALA A 57 -6.306 -6.565 -8.358 1.00 0.00 O ATOM 838 CB ALA A 57 -3.610 -6.757 -6.035 1.00 0.00 C ATOM 0 H ALA A 57 -2.206 -6.075 -7.918 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.326 -7.926 -7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.397 -7.095 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.722 -7.373 -5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.368 -5.717 -5.817 1.00 0.00 H new ATOM 844 N LEU A 58 -5.352 -4.834 -7.260 1.00 0.00 N ATOM 845 CA LEU A 58 -6.494 -3.951 -7.433 1.00 0.00 C ATOM 846 C LEU A 58 -6.794 -3.799 -8.924 1.00 0.00 C ATOM 847 O LEU A 58 -7.951 -3.862 -9.339 1.00 0.00 O ATOM 848 CB LEU A 58 -6.256 -2.622 -6.715 1.00 0.00 C ATOM 849 CG LEU A 58 -5.692 -2.717 -5.296 1.00 0.00 C ATOM 850 CD1 LEU A 58 -4.163 -2.685 -5.309 1.00 0.00 C ATOM 851 CD2 LEU A 58 -6.280 -1.625 -4.398 1.00 0.00 C ATOM 0 H LEU A 58 -4.570 -4.425 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.382 -4.382 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.572 -2.024 -7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.201 -2.080 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.990 -3.677 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.789 -2.754 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.786 -3.526 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.822 -1.752 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.863 -1.715 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.033 -0.645 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.363 -1.736 -4.352 1.00 0.00 H new ATOM 863 N SER A 59 -5.732 -3.604 -9.693 1.00 0.00 N ATOM 864 CA SER A 59 -5.868 -3.443 -11.131 1.00 0.00 C ATOM 865 C SER A 59 -6.660 -4.614 -11.716 1.00 0.00 C ATOM 866 O SER A 59 -7.452 -4.432 -12.640 1.00 0.00 O ATOM 867 CB SER A 59 -4.498 -3.339 -11.804 1.00 0.00 C ATOM 868 OG SER A 59 -4.569 -2.661 -13.056 1.00 0.00 O ATOM 0 H SER A 59 -4.774 -3.554 -9.347 1.00 0.00 H new ATOM 0 HA SER A 59 -6.409 -2.516 -11.323 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.809 -2.811 -11.144 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.092 -4.339 -11.956 1.00 0.00 H new ATOM 0 HG SER A 59 -3.674 -2.613 -13.453 1.00 0.00 H new ATOM 874 N GLN A 60 -6.421 -5.788 -11.154 1.00 0.00 N ATOM 875 CA GLN A 60 -7.102 -6.988 -11.608 1.00 0.00 C ATOM 876 C GLN A 60 -8.564 -6.973 -11.155 1.00 0.00 C ATOM 877 O GLN A 60 -9.415 -7.617 -11.767 1.00 0.00 O ATOM 878 CB GLN A 60 -6.388 -8.247 -11.111 1.00 0.00 C ATOM 879 CG GLN A 60 -7.337 -9.446 -11.094 1.00 0.00 C ATOM 880 CD GLN A 60 -7.903 -9.718 -12.490 1.00 0.00 C ATOM 881 OE1 GLN A 60 -7.283 -9.439 -13.503 1.00 0.00 O ATOM 882 NE2 GLN A 60 -9.109 -10.276 -12.486 1.00 0.00 N ATOM 0 H GLN A 60 -5.764 -5.935 -10.387 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.079 -7.003 -12.698 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.535 -8.463 -11.754 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.996 -8.075 -10.109 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.808 -10.328 -10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.154 -9.258 -10.397 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.572 -10.483 -11.601 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.572 -10.497 -13.368 1.00 0.00 H new ATOM 891 N ARG A 61 -8.810 -6.231 -10.086 1.00 0.00 N ATOM 892 CA ARG A 61 -10.155 -6.122 -9.544 1.00 0.00 C ATOM 893 C ARG A 61 -10.273 -4.875 -8.666 1.00 0.00 C ATOM 894 O ARG A 61 -10.432 -4.980 -7.450 1.00 0.00 O ATOM 895 CB ARG A 61 -10.514 -7.357 -8.715 1.00 0.00 C ATOM 896 CG ARG A 61 -11.082 -8.467 -9.603 1.00 0.00 C ATOM 897 CD ARG A 61 -12.237 -9.190 -8.907 1.00 0.00 C ATOM 898 NE ARG A 61 -12.056 -10.655 -9.015 1.00 0.00 N ATOM 899 CZ ARG A 61 -11.317 -11.390 -8.158 1.00 0.00 C ATOM 900 NH1 ARG A 61 -10.682 -10.804 -7.121 1.00 0.00 N ATOM 901 NH2 ARG A 61 -11.224 -12.694 -8.349 1.00 0.00 N ATOM 0 H ARG A 61 -8.102 -5.699 -9.580 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.847 -6.047 -10.383 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.628 -7.720 -8.195 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.244 -7.088 -7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.429 -8.042 -10.545 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.295 -9.181 -9.846 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.281 -8.897 -7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.185 -8.898 -9.359 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.518 -11.139 -9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.758 -9.797 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.126 -11.368 -6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.707 -13.130 -9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.670 -13.265 -7.711 1.00 0.00 H new ATOM 913 N ALA A 62 -10.193 -3.722 -9.315 1.00 0.00 N ATOM 914 CA ALA A 62 -10.290 -2.456 -8.609 1.00 0.00 C ATOM 915 C ALA A 62 -11.684 -2.327 -7.993 1.00 0.00 C ATOM 916 O ALA A 62 -11.888 -1.543 -7.068 1.00 0.00 O ATOM 917 CB ALA A 62 -9.967 -1.310 -9.568 1.00 0.00 C ATOM 0 H ALA A 62 -10.062 -3.639 -10.323 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.565 -2.413 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.040 -0.360 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.955 -1.433 -9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.675 -1.318 -10.396 1.00 0.00 H new ATOM 923 N MET A 63 -12.609 -3.108 -8.531 1.00 0.00 N ATOM 924 CA MET A 63 -13.979 -3.091 -8.047 1.00 0.00 C ATOM 925 C MET A 63 -14.084 -3.766 -6.677 1.00 0.00 C ATOM 926 O MET A 63 -15.166 -3.832 -6.095 1.00 0.00 O ATOM 927 CB MET A 63 -14.884 -3.817 -9.045 1.00 0.00 C ATOM 928 CG MET A 63 -14.819 -3.156 -10.423 1.00 0.00 C ATOM 929 SD MET A 63 -15.979 -1.801 -10.506 1.00 0.00 S ATOM 930 CE MET A 63 -15.576 -1.146 -12.116 1.00 0.00 C ATOM 0 H MET A 63 -12.436 -3.757 -9.298 1.00 0.00 H new ATOM 0 HA MET A 63 -14.296 -2.053 -7.946 1.00 0.00 H new ATOM 0 HB2 MET A 63 -14.581 -4.861 -9.124 1.00 0.00 H new ATOM 0 HB3 MET A 63 -15.912 -3.810 -8.682 1.00 0.00 H new ATOM 0 HG2 MET A 63 -13.809 -2.793 -10.614 1.00 0.00 H new ATOM 0 HG3 MET A 63 -15.046 -3.888 -11.198 1.00 0.00 H new ATOM 0 HE1 MET A 63 -16.213 -0.287 -12.329 1.00 0.00 H new ATOM 0 HE2 MET A 63 -14.531 -0.836 -12.132 1.00 0.00 H new ATOM 0 HE3 MET A 63 -15.738 -1.914 -12.872 1.00 0.00 H new ATOM 940 N ILE A 64 -12.946 -4.249 -6.200 1.00 0.00 N ATOM 941 CA ILE A 64 -12.897 -4.915 -4.912 1.00 0.00 C ATOM 942 C ILE A 64 -11.848 -4.235 -4.030 1.00 0.00 C ATOM 943 O ILE A 64 -11.136 -4.901 -3.280 1.00 0.00 O ATOM 944 CB ILE A 64 -12.666 -6.418 -5.094 1.00 0.00 C ATOM 945 CG1 ILE A 64 -13.841 -7.066 -5.828 1.00 0.00 C ATOM 946 CG2 ILE A 64 -12.384 -7.095 -3.752 1.00 0.00 C ATOM 947 CD1 ILE A 64 -13.876 -6.639 -7.296 1.00 0.00 C ATOM 0 H ILE A 64 -12.050 -4.192 -6.684 1.00 0.00 H new ATOM 0 HA ILE A 64 -13.854 -4.822 -4.399 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.782 -6.556 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.760 -8.151 -5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.776 -6.786 -5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -12.224 -8.162 -3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.493 -6.656 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -13.234 -6.950 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -14.721 -7.115 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.981 -5.556 -7.357 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.950 -6.942 -7.785 1.00 0.00 H new ATOM 959 N LEU A 65 -11.786 -2.918 -4.149 1.00 0.00 N ATOM 960 CA LEU A 65 -10.836 -2.139 -3.372 1.00 0.00 C ATOM 961 C LEU A 65 -11.576 -1.421 -2.242 1.00 0.00 C ATOM 962 O LEU A 65 -12.802 -1.468 -2.170 1.00 0.00 O ATOM 963 CB LEU A 65 -10.042 -1.200 -4.282 1.00 0.00 C ATOM 964 CG LEU A 65 -9.487 0.064 -3.622 1.00 0.00 C ATOM 965 CD1 LEU A 65 -8.139 -0.214 -2.953 1.00 0.00 C ATOM 966 CD2 LEU A 65 -9.403 1.215 -4.625 1.00 0.00 C ATOM 0 H LEU A 65 -12.378 -2.369 -4.772 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.098 -2.792 -2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.209 -1.759 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.684 -0.901 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.178 0.372 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.766 0.700 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.263 -0.981 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.426 -0.559 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.005 2.101 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.746 0.933 -5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.398 1.432 -5.014 1.00 0.00 H new ATOM 978 N GLY A 66 -10.798 -0.773 -1.387 1.00 0.00 N ATOM 979 CA GLY A 66 -11.364 -0.045 -0.264 1.00 0.00 C ATOM 980 C GLY A 66 -12.575 0.782 -0.699 1.00 0.00 C ATOM 981 O GLY A 66 -13.608 0.774 -0.035 1.00 0.00 O ATOM 0 H GLY A 66 -9.781 -0.737 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.660 -0.746 0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.607 0.611 0.167 1.00 0.00 H new ATOM 985 N LYS A 67 -12.405 1.477 -1.816 1.00 0.00 N ATOM 986 CA LYS A 67 -13.471 2.308 -2.349 1.00 0.00 C ATOM 987 C LYS A 67 -13.862 1.799 -3.736 1.00 0.00 C ATOM 988 O LYS A 67 -13.007 1.368 -4.507 1.00 0.00 O ATOM 989 CB LYS A 67 -13.061 3.783 -2.326 1.00 0.00 C ATOM 990 CG LYS A 67 -14.290 4.694 -2.398 1.00 0.00 C ATOM 991 CD LYS A 67 -14.623 5.272 -1.021 1.00 0.00 C ATOM 992 CE LYS A 67 -15.384 6.594 -1.152 1.00 0.00 C ATOM 993 NZ LYS A 67 -16.812 6.342 -1.447 1.00 0.00 N ATOM 0 H LYS A 67 -11.546 1.481 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.360 2.238 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.500 3.994 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.398 3.993 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.106 5.505 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.143 4.131 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.223 4.557 -0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.704 5.431 -0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.293 7.166 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.943 7.197 -1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.314 7.249 -1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.894 5.815 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.233 5.785 -0.676 1.00 0.00 H new ATOM 1006 N SER A 68 -15.157 1.868 -4.013 1.00 0.00 N ATOM 1007 CA SER A 68 -15.673 1.419 -5.295 1.00 0.00 C ATOM 1008 C SER A 68 -15.314 2.431 -6.386 1.00 0.00 C ATOM 1009 O SER A 68 -15.553 2.185 -7.567 1.00 0.00 O ATOM 1010 CB SER A 68 -17.188 1.215 -5.238 1.00 0.00 C ATOM 1011 OG SER A 68 -17.894 2.452 -5.259 1.00 0.00 O ATOM 0 H SER A 68 -15.863 2.228 -3.371 1.00 0.00 H new ATOM 0 HA SER A 68 -15.213 0.459 -5.532 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.503 0.603 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.446 0.666 -4.333 1.00 0.00 H new ATOM 0 HG SER A 68 -18.858 2.279 -5.223 1.00 0.00 H new ATOM 1017 N GLY A 69 -14.746 3.545 -5.952 1.00 0.00 N ATOM 1018 CA GLY A 69 -14.352 4.594 -6.877 1.00 0.00 C ATOM 1019 C GLY A 69 -13.611 4.013 -8.082 1.00 0.00 C ATOM 1020 O GLY A 69 -14.235 3.614 -9.065 1.00 0.00 O ATOM 0 H GLY A 69 -14.549 3.745 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.235 5.136 -7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.713 5.314 -6.365 1.00 0.00 H new ATOM 1024 N GLU A 70 -12.292 3.983 -7.968 1.00 0.00 N ATOM 1025 CA GLU A 70 -11.460 3.455 -9.036 1.00 0.00 C ATOM 1026 C GLU A 70 -10.223 2.767 -8.456 1.00 0.00 C ATOM 1027 O GLU A 70 -10.121 1.542 -8.480 1.00 0.00 O ATOM 1028 CB GLU A 70 -11.063 4.561 -10.017 1.00 0.00 C ATOM 1029 CG GLU A 70 -10.530 3.969 -11.323 1.00 0.00 C ATOM 1030 CD GLU A 70 -11.168 4.650 -12.535 1.00 0.00 C ATOM 1031 OE1 GLU A 70 -12.304 5.140 -12.444 1.00 0.00 O ATOM 1032 OE2 GLU A 70 -10.441 4.663 -13.600 1.00 0.00 O ATOM 0 H GLU A 70 -11.778 4.316 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.038 2.713 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.926 5.194 -10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.302 5.198 -9.565 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.447 4.086 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.736 2.899 -11.352 1.00 0.00 H new ATOM 1040 N LEU A 71 -9.314 3.586 -7.946 1.00 0.00 N ATOM 1041 CA LEU A 71 -8.089 3.070 -7.360 1.00 0.00 C ATOM 1042 C LEU A 71 -7.179 4.240 -6.981 1.00 0.00 C ATOM 1043 O LEU A 71 -5.963 4.167 -7.151 1.00 0.00 O ATOM 1044 CB LEU A 71 -7.429 2.059 -8.300 1.00 0.00 C ATOM 1045 CG LEU A 71 -7.037 0.719 -7.675 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.261 0.004 -7.100 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.283 -0.155 -8.678 1.00 0.00 C ATOM 0 H LEU A 71 -9.402 4.602 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.307 2.523 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.110 1.865 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.534 2.516 -8.722 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.358 0.915 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.955 -0.946 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.719 0.627 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.983 -0.180 -7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.016 -1.101 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.918 -0.346 -9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.377 0.359 -8.999 1.00 0.00 H new ATOM 1059 N LYS A 72 -7.803 5.294 -6.473 1.00 0.00 N ATOM 1060 CA LYS A 72 -7.065 6.478 -6.068 1.00 0.00 C ATOM 1061 C LYS A 72 -6.081 6.105 -4.958 1.00 0.00 C ATOM 1062 O LYS A 72 -4.880 6.341 -5.083 1.00 0.00 O ATOM 1063 CB LYS A 72 -8.028 7.603 -5.685 1.00 0.00 C ATOM 1064 CG LYS A 72 -7.498 8.960 -6.152 1.00 0.00 C ATOM 1065 CD LYS A 72 -6.730 9.666 -5.034 1.00 0.00 C ATOM 1066 CE LYS A 72 -5.345 10.104 -5.510 1.00 0.00 C ATOM 1067 NZ LYS A 72 -5.412 11.440 -6.143 1.00 0.00 N ATOM 0 H LYS A 72 -8.812 5.352 -6.333 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.475 6.864 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.005 7.417 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.167 7.615 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.846 8.822 -7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.329 9.586 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.293 10.535 -4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.630 8.997 -4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.655 10.129 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.952 9.378 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.463 11.722 -6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.054 11.405 -6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.767 12.133 -5.454 1.00 0.00 H new ATOM 1080 N THR A 73 -6.625 5.531 -3.896 1.00 0.00 N ATOM 1081 CA THR A 73 -5.812 5.124 -2.765 1.00 0.00 C ATOM 1082 C THR A 73 -4.653 4.238 -3.232 1.00 0.00 C ATOM 1083 O THR A 73 -3.529 4.380 -2.755 1.00 0.00 O ATOM 1084 CB THR A 73 -6.725 4.440 -1.745 1.00 0.00 C ATOM 1085 OG1 THR A 73 -8.025 4.937 -2.055 1.00 0.00 O ATOM 1086 CG2 THR A 73 -6.473 4.923 -0.316 1.00 0.00 C ATOM 0 H THR A 73 -7.622 5.338 -3.795 1.00 0.00 H new ATOM 0 HA THR A 73 -5.349 5.985 -2.282 1.00 0.00 H new ATOM 0 HB THR A 73 -6.579 3.361 -1.794 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.680 4.543 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.147 4.406 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.441 4.711 -0.037 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.651 5.997 -0.258 1.00 0.00 H new ATOM 1094 N TRP A 74 -4.969 3.345 -4.158 1.00 0.00 N ATOM 1095 CA TRP A 74 -3.970 2.438 -4.694 1.00 0.00 C ATOM 1096 C TRP A 74 -2.852 3.279 -5.313 1.00 0.00 C ATOM 1097 O TRP A 74 -1.695 2.862 -5.334 1.00 0.00 O ATOM 1098 CB TRP A 74 -4.598 1.457 -5.686 1.00 0.00 C ATOM 1099 CG TRP A 74 -3.584 0.552 -6.392 1.00 0.00 C ATOM 1100 CD1 TRP A 74 -2.789 -0.378 -5.848 1.00 0.00 C ATOM 1101 CD2 TRP A 74 -3.288 0.532 -7.805 1.00 0.00 C ATOM 1102 NE1 TRP A 74 -2.005 -0.994 -6.802 1.00 0.00 N ATOM 1103 CE2 TRP A 74 -2.319 -0.423 -8.030 1.00 0.00 C ATOM 1104 CE3 TRP A 74 -3.824 1.295 -8.857 1.00 0.00 C ATOM 1105 CZ2 TRP A 74 -1.800 -0.704 -9.300 1.00 0.00 C ATOM 1106 CZ3 TRP A 74 -3.294 1.003 -10.121 1.00 0.00 C ATOM 1107 CH2 TRP A 74 -2.318 0.044 -10.363 1.00 0.00 C ATOM 0 H TRP A 74 -5.903 3.231 -4.551 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.544 1.821 -3.903 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.320 0.834 -5.158 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.152 2.020 -6.437 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.764 -0.616 -4.795 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.321 -1.732 -6.637 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.584 2.047 -8.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -1.041 -1.457 -9.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.670 1.562 -10.965 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.960 -0.123 -11.368 1.00 0.00 H new ATOM 1118 N GLY A 75 -3.236 4.449 -5.801 1.00 0.00 N ATOM 1119 CA GLY A 75 -2.280 5.354 -6.418 1.00 0.00 C ATOM 1120 C GLY A 75 -1.211 5.789 -5.414 1.00 0.00 C ATOM 1121 O GLY A 75 -0.017 5.648 -5.674 1.00 0.00 O ATOM 0 H GLY A 75 -4.196 4.792 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.807 4.864 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.800 6.231 -6.804 1.00 0.00 H new ATOM 1125 N LEU A 76 -1.678 6.310 -4.290 1.00 0.00 N ATOM 1126 CA LEU A 76 -0.777 6.766 -3.245 1.00 0.00 C ATOM 1127 C LEU A 76 -0.012 5.569 -2.676 1.00 0.00 C ATOM 1128 O LEU A 76 1.208 5.616 -2.537 1.00 0.00 O ATOM 1129 CB LEU A 76 -1.541 7.566 -2.189 1.00 0.00 C ATOM 1130 CG LEU A 76 -1.134 7.319 -0.736 1.00 0.00 C ATOM 1131 CD1 LEU A 76 -1.333 8.578 0.111 1.00 0.00 C ATOM 1132 CD2 LEU A 76 -1.876 6.115 -0.154 1.00 0.00 C ATOM 0 H LEU A 76 -2.669 6.427 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.036 7.451 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.416 8.627 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.603 7.343 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.070 7.081 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.036 8.375 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.722 9.387 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.383 8.870 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.567 5.962 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.950 6.298 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.640 5.225 -0.738 1.00 0.00 H new ATOM 1144 N VAL A 77 -0.765 4.523 -2.362 1.00 0.00 N ATOM 1145 CA VAL A 77 -0.174 3.316 -1.812 1.00 0.00 C ATOM 1146 C VAL A 77 0.761 2.691 -2.849 1.00 0.00 C ATOM 1147 O VAL A 77 1.940 2.473 -2.576 1.00 0.00 O ATOM 1148 CB VAL A 77 -1.274 2.360 -1.346 1.00 0.00 C ATOM 1149 CG1 VAL A 77 -1.968 1.701 -2.540 1.00 0.00 C ATOM 1150 CG2 VAL A 77 -0.716 1.307 -0.387 1.00 0.00 C ATOM 0 H VAL A 77 -1.778 4.488 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 77 0.427 3.552 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.019 2.944 -0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.746 1.026 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.416 2.469 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.237 1.137 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.519 0.641 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.058 0.729 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.289 1.800 0.486 1.00 0.00 H new ATOM 1160 N LEU A 78 0.199 2.420 -4.018 1.00 0.00 N ATOM 1161 CA LEU A 78 0.968 1.826 -5.098 1.00 0.00 C ATOM 1162 C LEU A 78 1.974 2.850 -5.628 1.00 0.00 C ATOM 1163 O LEU A 78 3.178 2.602 -5.624 1.00 0.00 O ATOM 1164 CB LEU A 78 0.036 1.266 -6.175 1.00 0.00 C ATOM 1165 CG LEU A 78 0.583 0.095 -6.993 1.00 0.00 C ATOM 1166 CD1 LEU A 78 1.805 0.521 -7.809 1.00 0.00 C ATOM 1167 CD2 LEU A 78 0.882 -1.108 -6.098 1.00 0.00 C ATOM 0 H LEU A 78 -0.780 2.601 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 78 1.542 0.975 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.890 0.948 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.221 2.074 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.185 -0.215 -7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.175 -0.330 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.525 1.324 -8.491 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.587 0.873 -7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.270 -1.926 -6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.623 -0.829 -5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.034 -1.428 -5.600 1.00 0.00 H new ATOM 1179 N GLY A 79 1.441 3.980 -6.071 1.00 0.00 N ATOM 1180 CA GLY A 79 2.278 5.042 -6.601 1.00 0.00 C ATOM 1181 C GLY A 79 3.574 5.174 -5.800 1.00 0.00 C ATOM 1182 O GLY A 79 4.602 5.583 -6.339 1.00 0.00 O ATOM 0 H GLY A 79 0.441 4.182 -6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.512 4.838 -7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.733 5.986 -6.575 1.00 0.00 H new ATOM 1186 N ALA A 80 3.485 4.814 -4.528 1.00 0.00 N ATOM 1187 CA ALA A 80 4.639 4.887 -3.647 1.00 0.00 C ATOM 1188 C ALA A 80 5.699 3.890 -4.122 1.00 0.00 C ATOM 1189 O ALA A 80 6.873 4.239 -4.241 1.00 0.00 O ATOM 1190 CB ALA A 80 4.198 4.626 -2.206 1.00 0.00 C ATOM 0 H ALA A 80 2.632 4.471 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 80 5.084 5.882 -3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.063 4.681 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.466 5.376 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.750 3.635 -2.136 1.00 0.00 H new ATOM 1196 N LEU A 81 5.248 2.673 -4.382 1.00 0.00 N ATOM 1197 CA LEU A 81 6.143 1.625 -4.841 1.00 0.00 C ATOM 1198 C LEU A 81 6.944 2.132 -6.042 1.00 0.00 C ATOM 1199 O LEU A 81 8.149 1.907 -6.129 1.00 0.00 O ATOM 1200 CB LEU A 81 5.363 0.338 -5.121 1.00 0.00 C ATOM 1201 CG LEU A 81 5.887 -0.527 -6.269 1.00 0.00 C ATOM 1202 CD1 LEU A 81 7.173 -1.250 -5.867 1.00 0.00 C ATOM 1203 CD2 LEU A 81 4.810 -1.498 -6.759 1.00 0.00 C ATOM 0 H LEU A 81 4.273 2.388 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 81 6.862 1.372 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.356 -0.264 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.328 0.603 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 81 6.134 0.127 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.524 -1.858 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.936 -0.517 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.976 -1.891 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.208 -2.101 -7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.508 -2.150 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.946 -0.935 -7.112 1.00 0.00 H new ATOM 1215 N LYS A 82 6.240 2.809 -6.936 1.00 0.00 N ATOM 1216 CA LYS A 82 6.869 3.353 -8.129 1.00 0.00 C ATOM 1217 C LYS A 82 7.847 4.457 -7.726 1.00 0.00 C ATOM 1218 O LYS A 82 8.796 4.747 -8.454 1.00 0.00 O ATOM 1219 CB LYS A 82 5.809 3.806 -9.135 1.00 0.00 C ATOM 1220 CG LYS A 82 5.393 2.654 -10.051 1.00 0.00 C ATOM 1221 CD LYS A 82 4.102 1.998 -9.555 1.00 0.00 C ATOM 1222 CE LYS A 82 4.333 0.525 -9.211 1.00 0.00 C ATOM 1223 NZ LYS A 82 5.448 -0.026 -10.013 1.00 0.00 N ATOM 0 H LYS A 82 5.240 2.994 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 82 7.449 2.584 -8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.937 4.185 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.199 4.629 -9.734 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.250 3.025 -11.066 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.190 1.911 -10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.735 2.527 -8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.331 2.080 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.557 0.424 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.424 -0.046 -9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.335 -1.056 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.443 0.408 -10.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.351 0.182 -9.541 1.00 0.00 H new ATOM 1236 N ALA A 83 7.583 5.044 -6.568 1.00 0.00 N ATOM 1237 CA ALA A 83 8.430 6.111 -6.059 1.00 0.00 C ATOM 1238 C ALA A 83 9.788 5.531 -5.662 1.00 0.00 C ATOM 1239 O ALA A 83 10.822 6.167 -5.866 1.00 0.00 O ATOM 1240 CB ALA A 83 7.728 6.805 -4.891 1.00 0.00 C ATOM 0 H ALA A 83 6.795 4.802 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 83 8.605 6.864 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.362 7.605 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.781 7.224 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.539 6.081 -4.098 1.00 0.00 H new ATOM 1246 N ALA A 84 9.745 4.332 -5.101 1.00 0.00 N ATOM 1247 CA ALA A 84 10.959 3.660 -4.673 1.00 0.00 C ATOM 1248 C ALA A 84 11.860 3.421 -5.887 1.00 0.00 C ATOM 1249 O ALA A 84 13.053 3.717 -5.848 1.00 0.00 O ATOM 1250 CB ALA A 84 10.597 2.361 -3.950 1.00 0.00 C ATOM 0 H ALA A 84 8.886 3.808 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 84 11.513 4.281 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.509 1.857 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.982 2.588 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.042 1.711 -4.626 1.00 0.00 H new ATOM 1256 N ARG A 85 11.252 2.886 -6.938 1.00 0.00 N ATOM 1257 CA ARG A 85 11.984 2.603 -8.160 1.00 0.00 C ATOM 1258 C ARG A 85 12.301 3.903 -8.901 1.00 0.00 C ATOM 1259 O ARG A 85 13.148 3.921 -9.795 1.00 0.00 O ATOM 1260 CB ARG A 85 11.182 1.681 -9.081 1.00 0.00 C ATOM 1261 CG ARG A 85 11.995 0.442 -9.459 1.00 0.00 C ATOM 1262 CD ARG A 85 12.004 -0.577 -8.317 1.00 0.00 C ATOM 1263 NE ARG A 85 13.390 -1.019 -8.045 1.00 0.00 N ATOM 1264 CZ ARG A 85 13.708 -2.070 -7.259 1.00 0.00 C ATOM 1265 NH1 ARG A 85 12.741 -2.794 -6.659 1.00 0.00 N ATOM 1266 NH2 ARG A 85 14.980 -2.376 -7.085 1.00 0.00 N ATOM 0 H ARG A 85 10.262 2.642 -6.967 1.00 0.00 H new ATOM 0 HA ARG A 85 12.912 2.103 -7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.260 1.378 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.896 2.222 -9.983 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.574 -0.014 -10.355 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.017 0.733 -9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.572 -0.134 -7.420 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.385 -1.435 -8.579 1.00 0.00 H new ATOM 0 HE ARG A 85 14.152 -0.497 -8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.761 -2.549 -6.797 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.990 -3.586 -6.067 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.705 -1.822 -7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.238 -3.167 -6.495 1.00 0.00 H new ATOM 1278 N GLU A 86 11.606 4.958 -8.504 1.00 0.00 N ATOM 1279 CA GLU A 86 11.803 6.260 -9.120 1.00 0.00 C ATOM 1280 C GLU A 86 12.952 7.004 -8.434 1.00 0.00 C ATOM 1281 O GLU A 86 13.938 7.359 -9.076 1.00 0.00 O ATOM 1282 CB GLU A 86 10.516 7.086 -9.083 1.00 0.00 C ATOM 1283 CG GLU A 86 10.745 8.485 -9.656 1.00 0.00 C ATOM 1284 CD GLU A 86 9.426 9.253 -9.768 1.00 0.00 C ATOM 1285 OE1 GLU A 86 8.529 9.071 -8.931 1.00 0.00 O ATOM 1286 OE2 GLU A 86 9.352 10.066 -10.768 1.00 0.00 O ATOM 0 H GLU A 86 10.905 4.939 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 86 12.067 6.108 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.738 6.579 -9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.159 7.164 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.437 9.035 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.210 8.408 -10.639 1.00 0.00 H new ATOM 1294 N GLU A 87 12.783 7.216 -7.136 1.00 0.00 N ATOM 1295 CA GLU A 87 13.792 7.911 -6.356 1.00 0.00 C ATOM 1296 C GLU A 87 13.988 7.220 -5.005 1.00 0.00 C ATOM 1297 O GLU A 87 13.134 6.450 -4.568 1.00 0.00 O ATOM 1298 CB GLU A 87 13.425 9.385 -6.170 1.00 0.00 C ATOM 1299 CG GLU A 87 14.610 10.182 -5.623 1.00 0.00 C ATOM 1300 CD GLU A 87 15.525 10.651 -6.755 1.00 0.00 C ATOM 1301 OE1 GLU A 87 15.922 9.842 -7.606 1.00 0.00 O ATOM 1302 OE2 GLU A 87 15.819 11.907 -6.733 1.00 0.00 O ATOM 0 H GLU A 87 11.963 6.919 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 87 14.734 7.872 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.108 9.807 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.580 9.469 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.246 11.044 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.176 9.565 -4.925 1.00 0.00 H new TER 1310 GLU A 87