USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 468 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 Single : A 6 LYS NZ :NH3+ 158:sc= 1.01 (180deg=0.5) USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= 1.29 (180deg=0.992) USER MOD Single : A 11 LYS NZ :NH3+ -144:sc= 1.26 (180deg=0.413) USER MOD Single : A 12 THR OG1 : rot -85:sc= 1.15 USER MOD Single : A 16 LYS NZ :NH3+ 134:sc= 1.22 (180deg=0.287) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc=-0.00935 (180deg=-0.133) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 1.14 (180deg=0.912) USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 0.366 (180deg=-0.349) USER MOD Single : A 46 THR OG1 : rot -72:sc= -0.718 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.0562 K(o=-0.056,f=-0.86) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 2.49 (180deg=2.43) USER MOD Single : A 58 TYR OH : rot -130:sc= -0.316 USER MOD ----------------------------------------------------------------- ATOM 71 N LYS A 6 -2.813 4.416 6.214 1.00 0.00 N ATOM 72 CA LYS A 6 -1.985 3.885 7.230 1.00 0.00 C ATOM 73 C LYS A 6 -0.601 4.250 6.750 1.00 0.00 C ATOM 74 O LYS A 6 -0.142 3.707 5.749 1.00 0.00 O ATOM 75 CB LYS A 6 -2.144 2.338 7.393 1.00 0.00 C ATOM 76 CG LYS A 6 -1.532 1.755 8.701 1.00 0.00 C ATOM 77 CD LYS A 6 -0.013 1.912 8.768 1.00 0.00 C ATOM 78 CE LYS A 6 0.554 1.595 10.139 1.00 0.00 C ATOM 79 NZ LYS A 6 2.014 1.864 10.200 1.00 0.00 N ATOM 0 HA LYS A 6 -2.228 4.279 8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.205 2.090 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.677 1.847 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.982 2.253 9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.787 0.698 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.448 1.256 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.254 2.934 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.041 2.192 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.365 0.549 10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.300 2.002 11.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.533 1.057 9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.232 2.722 9.654 1.00 0.00 H new ATOM 93 N PRO A 7 0.016 5.252 7.359 1.00 0.00 N ATOM 94 CA PRO A 7 1.332 5.694 6.961 1.00 0.00 C ATOM 95 C PRO A 7 2.443 4.851 7.587 1.00 0.00 C ATOM 96 O PRO A 7 2.289 4.296 8.701 1.00 0.00 O ATOM 97 CB PRO A 7 1.378 7.138 7.455 1.00 0.00 C ATOM 98 CG PRO A 7 0.485 7.167 8.654 1.00 0.00 C ATOM 99 CD PRO A 7 -0.517 6.048 8.487 1.00 0.00 C ATOM 0 HA PRO A 7 1.496 5.600 5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.395 7.434 7.713 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.030 7.829 6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.063 7.034 9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.021 8.129 8.734 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.600 5.449 9.394 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.513 6.434 8.267 1.00 0.00 H new ATOM 107 N VAL A 8 3.528 4.730 6.878 1.00 0.00 N ATOM 108 CA VAL A 8 4.663 3.985 7.341 1.00 0.00 C ATOM 109 C VAL A 8 5.867 4.913 7.381 1.00 0.00 C ATOM 110 O VAL A 8 5.962 5.840 6.562 1.00 0.00 O ATOM 111 CB VAL A 8 4.952 2.746 6.409 1.00 0.00 C ATOM 112 CG1 VAL A 8 5.291 3.163 4.990 1.00 0.00 C ATOM 113 CG2 VAL A 8 6.033 1.836 6.981 1.00 0.00 C ATOM 0 H VAL A 8 3.651 5.148 5.956 1.00 0.00 H new ATOM 0 HA VAL A 8 4.456 3.598 8.339 1.00 0.00 H new ATOM 0 HB VAL A 8 4.026 2.173 6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.482 2.276 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.455 3.719 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.180 3.794 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.198 0.997 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.960 2.398 7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.716 1.461 7.954 1.00 0.00 H new ATOM 123 N LYS A 9 6.739 4.724 8.351 1.00 0.00 N ATOM 124 CA LYS A 9 7.955 5.471 8.408 1.00 0.00 C ATOM 125 C LYS A 9 8.860 4.931 7.328 1.00 0.00 C ATOM 126 O LYS A 9 9.362 3.795 7.417 1.00 0.00 O ATOM 127 CB LYS A 9 8.610 5.318 9.786 1.00 0.00 C ATOM 128 CG LYS A 9 7.806 5.935 10.910 1.00 0.00 C ATOM 129 CD LYS A 9 8.438 5.702 12.268 1.00 0.00 C ATOM 130 CE LYS A 9 7.648 6.391 13.388 1.00 0.00 C ATOM 131 NZ LYS A 9 6.233 5.933 13.478 1.00 0.00 N ATOM 0 H LYS A 9 6.616 4.053 9.109 1.00 0.00 H new ATOM 0 HA LYS A 9 7.765 6.533 8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.756 4.258 9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.598 5.777 9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.708 7.007 10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.799 5.518 10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.491 4.631 12.466 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.462 6.076 12.262 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.144 6.205 14.341 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.664 7.469 13.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.824 6.246 14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.686 6.338 12.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.200 4.895 13.424 1.00 0.00 H new ATOM 145 N VAL A 10 9.043 5.694 6.311 1.00 0.00 N ATOM 146 CA VAL A 10 9.790 5.255 5.176 1.00 0.00 C ATOM 147 C VAL A 10 10.975 6.162 4.921 1.00 0.00 C ATOM 148 O VAL A 10 10.901 7.377 5.128 1.00 0.00 O ATOM 149 CB VAL A 10 8.866 5.137 3.915 1.00 0.00 C ATOM 150 CG1 VAL A 10 8.212 6.459 3.566 1.00 0.00 C ATOM 151 CG2 VAL A 10 9.606 4.571 2.712 1.00 0.00 C ATOM 0 H VAL A 10 8.680 6.644 6.237 1.00 0.00 H new ATOM 0 HA VAL A 10 10.184 4.261 5.389 1.00 0.00 H new ATOM 0 HB VAL A 10 8.078 4.433 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.581 6.332 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.602 6.796 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.982 7.201 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.925 4.508 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.442 5.223 2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.981 3.576 2.951 1.00 0.00 H new ATOM 161 N LYS A 11 12.076 5.553 4.535 1.00 0.00 N ATOM 162 CA LYS A 11 13.276 6.265 4.192 1.00 0.00 C ATOM 163 C LYS A 11 13.098 6.808 2.787 1.00 0.00 C ATOM 164 O LYS A 11 12.908 6.042 1.838 1.00 0.00 O ATOM 165 CB LYS A 11 14.490 5.322 4.256 1.00 0.00 C ATOM 166 CG LYS A 11 14.659 4.625 5.604 1.00 0.00 C ATOM 167 CD LYS A 11 15.855 3.692 5.617 1.00 0.00 C ATOM 168 CE LYS A 11 15.977 2.935 6.937 1.00 0.00 C ATOM 169 NZ LYS A 11 16.142 3.835 8.101 1.00 0.00 N ATOM 0 H LYS A 11 12.158 4.540 4.452 1.00 0.00 H new ATOM 0 HA LYS A 11 13.454 7.080 4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.393 4.566 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.393 5.892 4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.775 5.374 6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.756 4.060 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.767 2.979 4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.765 4.267 5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.088 2.320 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.829 2.257 6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.785 3.396 8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.541 4.742 7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.217 4.000 8.546 1.00 0.00 H new ATOM 183 N THR A 12 13.112 8.088 2.668 1.00 0.00 N ATOM 184 CA THR A 12 12.877 8.753 1.412 1.00 0.00 C ATOM 185 C THR A 12 14.184 8.877 0.597 1.00 0.00 C ATOM 186 O THR A 12 15.279 8.601 1.125 1.00 0.00 O ATOM 187 CB THR A 12 12.297 10.158 1.693 1.00 0.00 C ATOM 188 OG1 THR A 12 13.183 10.878 2.571 1.00 0.00 O ATOM 189 CG2 THR A 12 10.927 10.056 2.345 1.00 0.00 C ATOM 0 H THR A 12 13.289 8.723 3.446 1.00 0.00 H new ATOM 0 HA THR A 12 12.171 8.165 0.826 1.00 0.00 H new ATOM 0 HB THR A 12 12.198 10.685 0.744 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.978 10.649 3.502 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.538 11.057 2.534 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.247 9.522 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.012 9.516 3.288 1.00 0.00 H new ATOM 197 N PRO A 13 14.101 9.273 -0.704 1.00 0.00 N ATOM 198 CA PRO A 13 15.277 9.543 -1.536 1.00 0.00 C ATOM 199 C PRO A 13 16.087 10.717 -0.980 1.00 0.00 C ATOM 200 O PRO A 13 17.290 10.854 -1.249 1.00 0.00 O ATOM 201 CB PRO A 13 14.687 9.909 -2.900 1.00 0.00 C ATOM 202 CG PRO A 13 13.325 9.343 -2.885 1.00 0.00 C ATOM 203 CD PRO A 13 12.867 9.446 -1.470 1.00 0.00 C ATOM 0 HA PRO A 13 15.958 8.693 -1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.665 10.989 -3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.280 9.491 -3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.663 9.895 -3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.327 8.307 -3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.400 10.410 -1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.132 8.678 -1.228 1.00 0.00 H new ATOM 211 N ALA A 14 15.418 11.557 -0.191 1.00 0.00 N ATOM 212 CA ALA A 14 16.067 12.656 0.491 1.00 0.00 C ATOM 213 C ALA A 14 16.947 12.137 1.634 1.00 0.00 C ATOM 214 O ALA A 14 17.762 12.865 2.174 1.00 0.00 O ATOM 215 CB ALA A 14 15.036 13.626 1.018 1.00 0.00 C ATOM 0 H ALA A 14 14.416 11.488 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 14 16.705 13.178 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 14 15.537 14.448 1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 14 14.448 14.019 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.377 13.112 1.718 1.00 0.00 H new ATOM 221 N GLY A 15 16.748 10.877 2.008 1.00 0.00 N ATOM 222 CA GLY A 15 17.583 10.248 3.008 1.00 0.00 C ATOM 223 C GLY A 15 17.006 10.328 4.398 1.00 0.00 C ATOM 224 O GLY A 15 17.627 9.896 5.363 1.00 0.00 O ATOM 0 H GLY A 15 16.015 10.277 1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 15 17.731 9.201 2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.565 10.720 3.001 1.00 0.00 H new ATOM 228 N LYS A 16 15.822 10.849 4.507 1.00 0.00 N ATOM 229 CA LYS A 16 15.206 11.022 5.800 1.00 0.00 C ATOM 230 C LYS A 16 13.969 10.163 5.903 1.00 0.00 C ATOM 231 O LYS A 16 13.435 9.715 4.891 1.00 0.00 O ATOM 232 CB LYS A 16 14.876 12.496 6.014 1.00 0.00 C ATOM 233 CG LYS A 16 13.863 13.058 5.031 1.00 0.00 C ATOM 234 CD LYS A 16 13.882 14.573 5.004 1.00 0.00 C ATOM 235 CE LYS A 16 13.521 15.212 6.336 1.00 0.00 C ATOM 236 NZ LYS A 16 13.650 16.689 6.274 1.00 0.00 N ATOM 0 H LYS A 16 15.257 11.164 3.718 1.00 0.00 H new ATOM 0 HA LYS A 16 15.898 10.707 6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.494 12.628 7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.796 13.077 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.074 12.674 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.865 12.712 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.875 14.910 4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.185 14.923 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.499 14.944 6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.171 14.820 7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.811 17.129 6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.501 16.985 6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.728 16.989 5.281 1.00 0.00 H new ATOM 250 N GLU A 17 13.526 9.915 7.087 1.00 0.00 N ATOM 251 CA GLU A 17 12.352 9.115 7.277 1.00 0.00 C ATOM 252 C GLU A 17 11.173 9.980 7.587 1.00 0.00 C ATOM 253 O GLU A 17 11.270 10.936 8.355 1.00 0.00 O ATOM 254 CB GLU A 17 12.555 8.074 8.362 1.00 0.00 C ATOM 255 CG GLU A 17 13.667 7.112 8.044 1.00 0.00 C ATOM 256 CD GLU A 17 13.857 6.060 9.091 1.00 0.00 C ATOM 257 OE1 GLU A 17 14.253 6.400 10.224 1.00 0.00 O ATOM 258 OE2 GLU A 17 13.677 4.859 8.778 1.00 0.00 O ATOM 0 H GLU A 17 13.957 10.254 7.947 1.00 0.00 H new ATOM 0 HA GLU A 17 12.158 8.583 6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.773 8.576 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.628 7.518 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.459 6.630 7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.597 7.669 7.925 1.00 0.00 H new ATOM 265 N ALA A 18 10.088 9.681 6.959 1.00 0.00 N ATOM 266 CA ALA A 18 8.856 10.368 7.176 1.00 0.00 C ATOM 267 C ALA A 18 7.761 9.351 7.109 1.00 0.00 C ATOM 268 O ALA A 18 7.947 8.289 6.502 1.00 0.00 O ATOM 269 CB ALA A 18 8.648 11.449 6.119 1.00 0.00 C ATOM 0 H ALA A 18 10.029 8.936 6.265 1.00 0.00 H new ATOM 0 HA ALA A 18 8.862 10.863 8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.703 11.961 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.466 12.168 6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.626 10.991 5.130 1.00 0.00 H new ATOM 275 N GLU A 19 6.655 9.624 7.736 1.00 0.00 N ATOM 276 CA GLU A 19 5.546 8.718 7.678 1.00 0.00 C ATOM 277 C GLU A 19 4.694 9.080 6.512 1.00 0.00 C ATOM 278 O GLU A 19 3.976 10.082 6.537 1.00 0.00 O ATOM 279 CB GLU A 19 4.728 8.729 8.950 1.00 0.00 C ATOM 280 CG GLU A 19 5.488 8.279 10.156 1.00 0.00 C ATOM 281 CD GLU A 19 4.613 8.149 11.356 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.162 9.163 11.900 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.362 7.014 11.789 1.00 0.00 O ATOM 0 H GLU A 19 6.497 10.464 8.292 1.00 0.00 H new ATOM 0 HA GLU A 19 5.935 7.706 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.354 9.738 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.858 8.085 8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.962 7.320 9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.287 8.990 10.366 1.00 0.00 H new ATOM 290 N LEU A 20 4.787 8.300 5.506 1.00 0.00 N ATOM 291 CA LEU A 20 4.089 8.545 4.294 1.00 0.00 C ATOM 292 C LEU A 20 3.120 7.422 4.053 1.00 0.00 C ATOM 293 O LEU A 20 3.424 6.253 4.345 1.00 0.00 O ATOM 294 CB LEU A 20 5.087 8.629 3.131 1.00 0.00 C ATOM 295 CG LEU A 20 6.129 9.758 3.181 1.00 0.00 C ATOM 296 CD1 LEU A 20 7.138 9.588 2.064 1.00 0.00 C ATOM 297 CD2 LEU A 20 5.460 11.112 3.053 1.00 0.00 C ATOM 0 H LEU A 20 5.359 7.456 5.495 1.00 0.00 H new ATOM 0 HA LEU A 20 3.547 9.488 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.620 7.680 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.520 8.733 2.206 1.00 0.00 H new ATOM 0 HG LEU A 20 6.639 9.705 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.871 10.394 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.645 8.629 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.625 9.618 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.216 11.896 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.928 11.167 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.754 11.248 3.873 1.00 0.00 H new ATOM 309 N VAL A 21 1.945 7.756 3.620 1.00 0.00 N ATOM 310 CA VAL A 21 1.018 6.767 3.215 1.00 0.00 C ATOM 311 C VAL A 21 1.143 6.583 1.704 1.00 0.00 C ATOM 312 O VAL A 21 1.039 7.556 0.937 1.00 0.00 O ATOM 313 CB VAL A 21 -0.444 7.081 3.661 1.00 0.00 C ATOM 314 CG1 VAL A 21 -0.932 8.439 3.181 1.00 0.00 C ATOM 315 CG2 VAL A 21 -1.395 5.970 3.234 1.00 0.00 C ATOM 0 H VAL A 21 1.610 8.716 3.541 1.00 0.00 H new ATOM 0 HA VAL A 21 1.258 5.830 3.717 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.434 7.127 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.955 8.600 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.288 9.220 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.904 8.472 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.407 6.213 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.374 5.871 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.085 5.030 3.690 1.00 0.00 H new ATOM 325 N PRO A 22 1.443 5.362 1.263 1.00 0.00 N ATOM 326 CA PRO A 22 1.662 5.072 -0.147 1.00 0.00 C ATOM 327 C PRO A 22 0.430 5.361 -1.018 1.00 0.00 C ATOM 328 O PRO A 22 -0.712 5.098 -0.621 1.00 0.00 O ATOM 329 CB PRO A 22 2.030 3.581 -0.177 1.00 0.00 C ATOM 330 CG PRO A 22 1.606 3.029 1.147 1.00 0.00 C ATOM 331 CD PRO A 22 1.591 4.166 2.114 1.00 0.00 C ATOM 0 HA PRO A 22 2.441 5.710 -0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.522 3.069 -0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.100 3.446 -0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.619 2.572 1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.294 2.251 1.478 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.767 4.076 2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.510 4.204 2.698 1.00 0.00 H new ATOM 339 N GLU A 23 0.690 5.905 -2.195 1.00 0.00 N ATOM 340 CA GLU A 23 -0.328 6.260 -3.167 1.00 0.00 C ATOM 341 C GLU A 23 -0.961 4.988 -3.708 1.00 0.00 C ATOM 342 O GLU A 23 -2.184 4.873 -3.865 1.00 0.00 O ATOM 343 CB GLU A 23 0.340 6.986 -4.332 1.00 0.00 C ATOM 344 CG GLU A 23 1.132 8.233 -3.964 1.00 0.00 C ATOM 345 CD GLU A 23 0.286 9.317 -3.361 1.00 0.00 C ATOM 346 OE1 GLU A 23 -0.642 9.805 -4.036 1.00 0.00 O ATOM 347 OE2 GLU A 23 0.527 9.706 -2.196 1.00 0.00 O ATOM 0 H GLU A 23 1.638 6.117 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.082 6.892 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.009 6.288 -4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.430 7.266 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.918 7.961 -3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.624 8.619 -4.857 1.00 0.00 H new ATOM 354 N LYS A 24 -0.108 4.048 -3.991 1.00 0.00 N ATOM 355 CA LYS A 24 -0.476 2.778 -4.534 1.00 0.00 C ATOM 356 C LYS A 24 0.343 1.709 -3.836 1.00 0.00 C ATOM 357 O LYS A 24 1.532 1.927 -3.567 1.00 0.00 O ATOM 358 CB LYS A 24 -0.183 2.769 -6.052 1.00 0.00 C ATOM 359 CG LYS A 24 -0.396 1.423 -6.722 1.00 0.00 C ATOM 360 CD LYS A 24 -0.030 1.450 -8.198 1.00 0.00 C ATOM 361 CE LYS A 24 -0.052 0.049 -8.791 1.00 0.00 C ATOM 362 NZ LYS A 24 0.139 0.064 -10.245 1.00 0.00 N ATOM 0 H LYS A 24 0.896 4.150 -3.844 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.538 2.587 -4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.820 3.508 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.848 3.083 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.204 0.668 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.439 1.127 -6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.729 2.088 -8.738 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.961 1.886 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.731 -0.552 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.003 -0.429 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.117 -0.910 -10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.622 0.616 -10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.057 0.497 -10.470 1.00 0.00 H new ATOM 376 N VAL A 25 -0.285 0.600 -3.502 1.00 0.00 N ATOM 377 CA VAL A 25 0.400 -0.531 -2.890 1.00 0.00 C ATOM 378 C VAL A 25 0.190 -1.773 -3.735 1.00 0.00 C ATOM 379 O VAL A 25 -0.878 -1.932 -4.368 1.00 0.00 O ATOM 380 CB VAL A 25 -0.082 -0.818 -1.432 1.00 0.00 C ATOM 381 CG1 VAL A 25 0.237 0.334 -0.515 1.00 0.00 C ATOM 382 CG2 VAL A 25 -1.573 -1.132 -1.383 1.00 0.00 C ATOM 0 H VAL A 25 -1.284 0.453 -3.645 1.00 0.00 H new ATOM 0 HA VAL A 25 1.457 -0.270 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 25 0.460 -1.698 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.111 0.104 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.314 0.498 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.262 1.234 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.870 -1.326 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.137 -0.283 -1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.780 -2.012 -1.992 1.00 0.00 H new ATOM 392 N TRP A 26 1.195 -2.609 -3.801 1.00 0.00 N ATOM 393 CA TRP A 26 1.106 -3.863 -4.506 1.00 0.00 C ATOM 394 C TRP A 26 2.057 -4.865 -3.886 1.00 0.00 C ATOM 395 O TRP A 26 2.968 -4.483 -3.142 1.00 0.00 O ATOM 396 CB TRP A 26 1.344 -3.701 -6.032 1.00 0.00 C ATOM 397 CG TRP A 26 2.684 -3.135 -6.451 1.00 0.00 C ATOM 398 CD1 TRP A 26 3.742 -3.828 -6.964 1.00 0.00 C ATOM 399 CD2 TRP A 26 3.094 -1.764 -6.409 1.00 0.00 C ATOM 400 NE1 TRP A 26 4.774 -2.968 -7.254 1.00 0.00 N ATOM 401 CE2 TRP A 26 4.396 -1.697 -6.918 1.00 0.00 C ATOM 402 CE3 TRP A 26 2.481 -0.595 -5.994 1.00 0.00 C ATOM 403 CZ2 TRP A 26 5.088 -0.497 -7.018 1.00 0.00 C ATOM 404 CZ3 TRP A 26 3.165 0.592 -6.090 1.00 0.00 C ATOM 405 CH2 TRP A 26 4.451 0.638 -6.600 1.00 0.00 C ATOM 0 H TRP A 26 2.102 -2.439 -3.366 1.00 0.00 H new ATOM 0 HA TRP A 26 0.088 -4.240 -4.405 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.224 -4.678 -6.501 1.00 0.00 H new ATOM 0 HB3 TRP A 26 0.561 -3.057 -6.433 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.765 -4.897 -7.119 1.00 0.00 H new ATOM 0 HE1 TRP A 26 5.674 -3.234 -7.654 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.476 -0.616 -5.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 6.093 -0.462 -7.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.691 1.505 -5.762 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.960 1.588 -6.669 1.00 0.00 H new ATOM 416 N ALA A 27 1.843 -6.126 -4.156 1.00 0.00 N ATOM 417 CA ALA A 27 2.663 -7.164 -3.581 1.00 0.00 C ATOM 418 C ALA A 27 3.072 -8.181 -4.615 1.00 0.00 C ATOM 419 O ALA A 27 2.232 -8.723 -5.354 1.00 0.00 O ATOM 420 CB ALA A 27 1.947 -7.845 -2.425 1.00 0.00 C ATOM 0 H ALA A 27 1.104 -6.462 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 27 3.567 -6.690 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.586 -8.624 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.721 -7.110 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.019 -8.291 -2.784 1.00 0.00 H new ATOM 426 N LEU A 28 4.343 -8.431 -4.678 1.00 0.00 N ATOM 427 CA LEU A 28 4.890 -9.408 -5.564 1.00 0.00 C ATOM 428 C LEU A 28 5.012 -10.720 -4.829 1.00 0.00 C ATOM 429 O LEU A 28 5.952 -10.941 -4.058 1.00 0.00 O ATOM 430 CB LEU A 28 6.270 -8.992 -6.128 1.00 0.00 C ATOM 431 CG LEU A 28 6.332 -7.781 -7.085 1.00 0.00 C ATOM 432 CD1 LEU A 28 5.982 -6.478 -6.391 1.00 0.00 C ATOM 433 CD2 LEU A 28 7.706 -7.687 -7.712 1.00 0.00 C ATOM 0 H LEU A 28 5.040 -7.954 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 28 4.215 -9.504 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.926 -8.783 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.689 -9.852 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 28 5.585 -7.942 -7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.040 -5.658 -7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.970 -6.539 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.684 -6.300 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.741 -6.830 -8.385 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.455 -7.565 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.913 -8.598 -8.273 1.00 0.00 H new ATOM 445 N ALA A 29 4.023 -11.537 -4.978 1.00 0.00 N ATOM 446 CA ALA A 29 4.035 -12.838 -4.396 1.00 0.00 C ATOM 447 C ALA A 29 4.250 -13.842 -5.504 1.00 0.00 C ATOM 448 O ALA A 29 3.406 -13.962 -6.391 1.00 0.00 O ATOM 449 CB ALA A 29 2.728 -13.103 -3.673 1.00 0.00 C ATOM 0 H ALA A 29 3.180 -11.320 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 29 4.837 -12.919 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.751 -14.100 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.591 -12.362 -2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.901 -13.037 -4.380 1.00 0.00 H new ATOM 455 N PRO A 30 5.421 -14.491 -5.546 1.00 0.00 N ATOM 456 CA PRO A 30 5.713 -15.507 -6.557 1.00 0.00 C ATOM 457 C PRO A 30 4.773 -16.710 -6.432 1.00 0.00 C ATOM 458 O PRO A 30 3.903 -16.912 -7.281 1.00 0.00 O ATOM 459 CB PRO A 30 7.167 -15.913 -6.273 1.00 0.00 C ATOM 460 CG PRO A 30 7.721 -14.807 -5.436 1.00 0.00 C ATOM 461 CD PRO A 30 6.568 -14.263 -4.651 1.00 0.00 C ATOM 0 HA PRO A 30 5.572 -15.131 -7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.215 -16.867 -5.748 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.732 -16.029 -7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.505 -15.175 -4.774 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.168 -14.033 -6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.447 -14.781 -3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.698 -13.205 -4.423 1.00 0.00 H new ATOM 469 N LYS A 31 4.931 -17.475 -5.364 1.00 0.00 N ATOM 470 CA LYS A 31 4.097 -18.633 -5.093 1.00 0.00 C ATOM 471 C LYS A 31 4.257 -19.066 -3.646 1.00 0.00 C ATOM 472 O LYS A 31 5.359 -19.430 -3.227 1.00 0.00 O ATOM 473 CB LYS A 31 4.419 -19.806 -6.057 1.00 0.00 C ATOM 474 CG LYS A 31 5.901 -20.189 -6.142 1.00 0.00 C ATOM 475 CD LYS A 31 6.133 -21.371 -7.077 1.00 0.00 C ATOM 476 CE LYS A 31 5.549 -22.671 -6.529 1.00 0.00 C ATOM 477 NZ LYS A 31 6.214 -23.111 -5.275 1.00 0.00 N ATOM 0 H LYS A 31 5.647 -17.308 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 31 3.059 -18.348 -5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.851 -20.681 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.070 -19.542 -7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.477 -19.332 -6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.269 -20.437 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.686 -21.156 -8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.203 -21.497 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.483 -22.537 -6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.645 -23.454 -7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.916 -24.081 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.246 -23.087 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.946 -22.474 -4.498 1.00 0.00 H new ATOM 491 N GLY A 32 3.186 -18.967 -2.885 1.00 0.00 N ATOM 492 CA GLY A 32 3.189 -19.401 -1.492 1.00 0.00 C ATOM 493 C GLY A 32 4.168 -18.624 -0.640 1.00 0.00 C ATOM 494 O GLY A 32 4.916 -19.203 0.144 1.00 0.00 O ATOM 0 H GLY A 32 2.295 -18.588 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.186 -19.290 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.436 -20.462 -1.447 1.00 0.00 H new ATOM 498 N ARG A 33 4.169 -17.325 -0.798 1.00 0.00 N ATOM 499 CA ARG A 33 5.087 -16.466 -0.079 1.00 0.00 C ATOM 500 C ARG A 33 4.294 -15.379 0.622 1.00 0.00 C ATOM 501 O ARG A 33 3.108 -15.213 0.345 1.00 0.00 O ATOM 502 CB ARG A 33 6.121 -15.853 -1.051 1.00 0.00 C ATOM 503 CG ARG A 33 7.052 -16.868 -1.748 1.00 0.00 C ATOM 504 CD ARG A 33 8.208 -17.377 -0.861 1.00 0.00 C ATOM 505 NE ARG A 33 7.777 -17.976 0.414 1.00 0.00 N ATOM 506 CZ ARG A 33 8.093 -19.210 0.850 1.00 0.00 C ATOM 507 NH1 ARG A 33 8.719 -20.074 0.053 1.00 0.00 N ATOM 508 NH2 ARG A 33 7.736 -19.586 2.073 1.00 0.00 N ATOM 0 H ARG A 33 3.536 -16.830 -1.426 1.00 0.00 H new ATOM 0 HA ARG A 33 5.633 -17.048 0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.587 -15.290 -1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.735 -15.140 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.459 -17.721 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.471 -16.406 -2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.781 -18.116 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.881 -16.546 -0.649 1.00 0.00 H new ATOM 0 HE ARG A 33 7.187 -17.406 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.964 -19.804 -0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.953 -21.006 0.395 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.225 -18.941 2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.973 -20.520 2.409 1.00 0.00 H new ATOM 522 N LYS A 34 4.936 -14.658 1.531 1.00 0.00 N ATOM 523 CA LYS A 34 4.276 -13.581 2.266 1.00 0.00 C ATOM 524 C LYS A 34 3.977 -12.435 1.300 1.00 0.00 C ATOM 525 O LYS A 34 2.950 -11.744 1.415 1.00 0.00 O ATOM 526 CB LYS A 34 5.162 -13.103 3.432 1.00 0.00 C ATOM 527 CG LYS A 34 4.532 -12.053 4.350 1.00 0.00 C ATOM 528 CD LYS A 34 3.304 -12.583 5.092 1.00 0.00 C ATOM 529 CE LYS A 34 2.706 -11.511 6.003 1.00 0.00 C ATOM 530 NZ LYS A 34 1.521 -11.989 6.754 1.00 0.00 N ATOM 0 H LYS A 34 5.915 -14.798 1.779 1.00 0.00 H new ATOM 0 HA LYS A 34 3.341 -13.945 2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.438 -13.969 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.085 -12.694 3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.274 -11.717 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.247 -11.182 3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.555 -12.912 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.582 -13.455 5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.466 -11.175 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.425 -10.646 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.158 -11.221 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.782 -12.284 6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.791 -12.797 7.351 1.00 0.00 H new ATOM 544 N GLY A 35 4.872 -12.245 0.356 1.00 0.00 N ATOM 545 CA GLY A 35 4.659 -11.281 -0.680 1.00 0.00 C ATOM 546 C GLY A 35 5.487 -10.054 -0.489 1.00 0.00 C ATOM 547 O GLY A 35 5.364 -9.374 0.543 1.00 0.00 O ATOM 0 H GLY A 35 5.755 -12.752 0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.895 -11.730 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.605 -11.005 -0.706 1.00 0.00 H new ATOM 551 N VAL A 36 6.323 -9.766 -1.468 1.00 0.00 N ATOM 552 CA VAL A 36 7.176 -8.599 -1.442 1.00 0.00 C ATOM 553 C VAL A 36 6.324 -7.386 -1.759 1.00 0.00 C ATOM 554 O VAL A 36 5.927 -7.166 -2.900 1.00 0.00 O ATOM 555 CB VAL A 36 8.333 -8.706 -2.473 1.00 0.00 C ATOM 556 CG1 VAL A 36 9.259 -7.496 -2.395 1.00 0.00 C ATOM 557 CG2 VAL A 36 9.117 -9.999 -2.282 1.00 0.00 C ATOM 0 H VAL A 36 6.428 -10.338 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 36 7.628 -8.515 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 36 7.887 -8.722 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.058 -7.601 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.691 -6.589 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.690 -7.432 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.921 -10.049 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.541 -10.023 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.451 -10.851 -2.415 1.00 0.00 H new ATOM 567 N LYS A 37 6.011 -6.654 -0.749 1.00 0.00 N ATOM 568 CA LYS A 37 5.134 -5.522 -0.851 1.00 0.00 C ATOM 569 C LYS A 37 5.911 -4.297 -1.224 1.00 0.00 C ATOM 570 O LYS A 37 7.000 -4.087 -0.718 1.00 0.00 O ATOM 571 CB LYS A 37 4.425 -5.331 0.477 1.00 0.00 C ATOM 572 CG LYS A 37 3.555 -6.515 0.837 1.00 0.00 C ATOM 573 CD LYS A 37 2.967 -6.399 2.218 1.00 0.00 C ATOM 574 CE LYS A 37 2.002 -7.541 2.485 1.00 0.00 C ATOM 575 NZ LYS A 37 2.651 -8.870 2.356 1.00 0.00 N ATOM 0 H LYS A 37 6.360 -6.822 0.195 1.00 0.00 H new ATOM 0 HA LYS A 37 4.393 -5.696 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.165 -5.174 1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.811 -4.431 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.749 -6.604 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.146 -7.429 0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.765 -6.408 2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.448 -5.446 2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.589 -7.437 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.167 -7.478 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.972 -9.614 2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.963 -9.010 1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.473 -8.918 2.991 1.00 0.00 H new ATOM 589 N ILE A 38 5.378 -3.521 -2.125 1.00 0.00 N ATOM 590 CA ILE A 38 6.007 -2.300 -2.570 1.00 0.00 C ATOM 591 C ILE A 38 4.945 -1.228 -2.651 1.00 0.00 C ATOM 592 O ILE A 38 3.790 -1.511 -3.002 1.00 0.00 O ATOM 593 CB ILE A 38 6.716 -2.473 -3.966 1.00 0.00 C ATOM 594 CG1 ILE A 38 7.725 -3.635 -3.915 1.00 0.00 C ATOM 595 CG2 ILE A 38 7.425 -1.180 -4.388 1.00 0.00 C ATOM 596 CD1 ILE A 38 8.416 -3.938 -5.224 1.00 0.00 C ATOM 0 H ILE A 38 4.486 -3.716 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 38 6.784 -2.022 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 38 5.949 -2.701 -4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.483 -3.406 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.206 -4.533 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.906 -1.328 -5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.696 -0.374 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.178 -0.919 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.106 -4.770 -5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.672 -4.203 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.969 -3.059 -5.556 1.00 0.00 H new ATOM 608 N GLY A 39 5.298 -0.040 -2.273 1.00 0.00 N ATOM 609 CA GLY A 39 4.388 1.042 -2.334 1.00 0.00 C ATOM 610 C GLY A 39 5.013 2.216 -3.002 1.00 0.00 C ATOM 611 O GLY A 39 6.236 2.410 -2.916 1.00 0.00 O ATOM 0 H GLY A 39 6.223 0.199 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.493 0.741 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.072 1.315 -1.327 1.00 0.00 H new ATOM 615 N LEU A 40 4.216 2.971 -3.695 1.00 0.00 N ATOM 616 CA LEU A 40 4.681 4.166 -4.340 1.00 0.00 C ATOM 617 C LEU A 40 4.396 5.337 -3.433 1.00 0.00 C ATOM 618 O LEU A 40 3.257 5.541 -3.007 1.00 0.00 O ATOM 619 CB LEU A 40 4.017 4.355 -5.709 1.00 0.00 C ATOM 620 CG LEU A 40 4.427 5.602 -6.499 1.00 0.00 C ATOM 621 CD1 LEU A 40 5.886 5.533 -6.896 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.573 5.757 -7.722 1.00 0.00 C ATOM 0 H LEU A 40 3.224 2.778 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 40 5.754 4.090 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.235 3.478 -6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.937 4.382 -5.564 1.00 0.00 H new ATOM 0 HG LEU A 40 4.282 6.469 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.154 6.429 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.504 5.466 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.053 4.654 -7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.880 6.648 -8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.689 4.881 -8.360 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.528 5.854 -7.426 1.00 0.00 H new ATOM 634 N PHE A 41 5.409 6.062 -3.121 1.00 0.00 N ATOM 635 CA PHE A 41 5.327 7.175 -2.224 1.00 0.00 C ATOM 636 C PHE A 41 5.724 8.430 -2.939 1.00 0.00 C ATOM 637 O PHE A 41 6.243 8.385 -4.046 1.00 0.00 O ATOM 638 CB PHE A 41 6.317 6.997 -1.082 1.00 0.00 C ATOM 639 CG PHE A 41 6.104 5.816 -0.195 1.00 0.00 C ATOM 640 CD1 PHE A 41 5.274 5.906 0.896 1.00 0.00 C ATOM 641 CD2 PHE A 41 6.766 4.624 -0.434 1.00 0.00 C ATOM 642 CE1 PHE A 41 5.095 4.835 1.734 1.00 0.00 C ATOM 643 CE2 PHE A 41 6.589 3.545 0.398 1.00 0.00 C ATOM 644 CZ PHE A 41 5.752 3.653 1.487 1.00 0.00 C ATOM 0 H PHE A 41 6.347 5.899 -3.488 1.00 0.00 H new ATOM 0 HA PHE A 41 4.304 7.234 -1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.319 6.929 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.292 7.896 -0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.756 6.832 1.096 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.428 4.541 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.438 4.920 2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.104 2.617 0.199 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.612 2.809 2.146 1.00 0.00 H new ATOM 654 N LYS A 42 5.504 9.529 -2.303 1.00 0.00 N ATOM 655 CA LYS A 42 5.962 10.789 -2.783 1.00 0.00 C ATOM 656 C LYS A 42 6.943 11.351 -1.776 1.00 0.00 C ATOM 657 O LYS A 42 6.623 11.459 -0.587 1.00 0.00 O ATOM 658 CB LYS A 42 4.808 11.769 -2.970 1.00 0.00 C ATOM 659 CG LYS A 42 5.279 13.173 -3.296 1.00 0.00 C ATOM 660 CD LYS A 42 4.157 14.172 -3.247 1.00 0.00 C ATOM 661 CE LYS A 42 4.705 15.584 -3.202 1.00 0.00 C ATOM 662 NZ LYS A 42 5.562 15.798 -2.001 1.00 0.00 N ATOM 0 H LYS A 42 4.993 9.579 -1.422 1.00 0.00 H new ATOM 0 HA LYS A 42 6.437 10.647 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.160 11.412 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.207 11.794 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.056 13.467 -2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.729 13.182 -4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.517 14.052 -4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.537 13.988 -2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.285 15.779 -4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.880 16.296 -3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.615 16.815 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.152 15.296 -1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.518 15.433 -2.187 1.00 0.00 H new ATOM 676 N ASP A 43 8.118 11.693 -2.235 1.00 0.00 N ATOM 677 CA ASP A 43 9.131 12.292 -1.384 1.00 0.00 C ATOM 678 C ASP A 43 8.680 13.702 -1.004 1.00 0.00 C ATOM 679 O ASP A 43 8.195 14.459 -1.864 1.00 0.00 O ATOM 680 CB ASP A 43 10.487 12.324 -2.103 1.00 0.00 C ATOM 681 CG ASP A 43 11.584 12.958 -1.277 1.00 0.00 C ATOM 682 OD1 ASP A 43 11.760 14.172 -1.383 1.00 0.00 O ATOM 683 OD2 ASP A 43 12.289 12.257 -0.559 1.00 0.00 O ATOM 0 H ASP A 43 8.406 11.568 -3.205 1.00 0.00 H new ATOM 0 HA ASP A 43 9.254 11.696 -0.480 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.778 11.306 -2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.382 12.873 -3.039 1.00 0.00 H new ATOM 688 N PRO A 44 8.757 14.065 0.271 1.00 0.00 N ATOM 689 CA PRO A 44 8.294 15.361 0.734 1.00 0.00 C ATOM 690 C PRO A 44 9.300 16.500 0.523 1.00 0.00 C ATOM 691 O PRO A 44 8.938 17.674 0.632 1.00 0.00 O ATOM 692 CB PRO A 44 8.050 15.124 2.222 1.00 0.00 C ATOM 693 CG PRO A 44 9.045 14.080 2.608 1.00 0.00 C ATOM 694 CD PRO A 44 9.264 13.228 1.385 1.00 0.00 C ATOM 0 HA PRO A 44 7.417 15.690 0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.193 16.039 2.797 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.030 14.787 2.407 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.979 14.536 2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.675 13.479 3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.318 12.983 1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.723 12.284 1.454 1.00 0.00 H new ATOM 702 N GLU A 45 10.528 16.176 0.200 1.00 0.00 N ATOM 703 CA GLU A 45 11.549 17.191 0.074 1.00 0.00 C ATOM 704 C GLU A 45 11.728 17.585 -1.388 1.00 0.00 C ATOM 705 O GLU A 45 11.694 18.768 -1.733 1.00 0.00 O ATOM 706 CB GLU A 45 12.864 16.676 0.647 1.00 0.00 C ATOM 707 CG GLU A 45 12.765 16.154 2.078 1.00 0.00 C ATOM 708 CD GLU A 45 12.428 17.207 3.111 1.00 0.00 C ATOM 709 OE1 GLU A 45 11.235 17.470 3.368 1.00 0.00 O ATOM 710 OE2 GLU A 45 13.364 17.754 3.739 1.00 0.00 O ATOM 0 H GLU A 45 10.845 15.223 0.020 1.00 0.00 H new ATOM 0 HA GLU A 45 11.240 18.074 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.238 15.877 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.600 17.480 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.006 15.373 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.714 15.690 2.348 1.00 0.00 H new ATOM 717 N THR A 46 11.905 16.602 -2.233 1.00 0.00 N ATOM 718 CA THR A 46 12.118 16.811 -3.646 1.00 0.00 C ATOM 719 C THR A 46 10.785 16.868 -4.385 1.00 0.00 C ATOM 720 O THR A 46 10.609 17.659 -5.324 1.00 0.00 O ATOM 721 CB THR A 46 13.006 15.690 -4.241 1.00 0.00 C ATOM 722 OG1 THR A 46 12.433 14.403 -3.944 1.00 0.00 O ATOM 723 CG2 THR A 46 14.420 15.758 -3.678 1.00 0.00 C ATOM 0 H THR A 46 11.906 15.620 -1.957 1.00 0.00 H new ATOM 0 HA THR A 46 12.632 17.764 -3.772 1.00 0.00 H new ATOM 0 HB THR A 46 13.055 15.831 -5.321 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.552 14.204 -2.992 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.023 14.960 -4.112 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.864 16.723 -3.924 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.386 15.640 -2.595 1.00 0.00 H new ATOM 731 N GLY A 47 9.846 16.041 -3.947 1.00 0.00 N ATOM 732 CA GLY A 47 8.545 16.018 -4.533 1.00 0.00 C ATOM 733 C GLY A 47 8.337 14.871 -5.494 1.00 0.00 C ATOM 734 O GLY A 47 7.220 14.657 -5.972 1.00 0.00 O ATOM 0 H GLY A 47 9.978 15.379 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.799 15.957 -3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.375 16.958 -5.059 1.00 0.00 H new ATOM 738 N LYS A 48 9.376 14.109 -5.753 1.00 0.00 N ATOM 739 CA LYS A 48 9.286 13.031 -6.722 1.00 0.00 C ATOM 740 C LYS A 48 8.655 11.779 -6.115 1.00 0.00 C ATOM 741 O LYS A 48 8.736 11.549 -4.904 1.00 0.00 O ATOM 742 CB LYS A 48 10.659 12.714 -7.349 1.00 0.00 C ATOM 743 CG LYS A 48 11.731 12.255 -6.366 1.00 0.00 C ATOM 744 CD LYS A 48 13.031 11.939 -7.092 1.00 0.00 C ATOM 745 CE LYS A 48 14.122 11.485 -6.133 1.00 0.00 C ATOM 746 NZ LYS A 48 15.370 11.117 -6.843 1.00 0.00 N ATOM 0 H LYS A 48 10.290 14.212 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 48 8.630 13.375 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.526 11.939 -8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.019 13.604 -7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.905 13.032 -5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.385 11.371 -5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.852 11.160 -7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.368 12.823 -7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.332 12.282 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.766 10.630 -5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.086 10.814 -6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.176 10.339 -7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.725 11.940 -7.371 1.00 0.00 H new ATOM 760 N TYR A 49 8.018 10.996 -6.948 1.00 0.00 N ATOM 761 CA TYR A 49 7.385 9.767 -6.523 1.00 0.00 C ATOM 762 C TYR A 49 8.363 8.617 -6.616 1.00 0.00 C ATOM 763 O TYR A 49 8.944 8.368 -7.683 1.00 0.00 O ATOM 764 CB TYR A 49 6.125 9.475 -7.354 1.00 0.00 C ATOM 765 CG TYR A 49 4.967 10.409 -7.084 1.00 0.00 C ATOM 766 CD1 TYR A 49 4.889 11.659 -7.691 1.00 0.00 C ATOM 767 CD2 TYR A 49 3.946 10.036 -6.220 1.00 0.00 C ATOM 768 CE1 TYR A 49 3.828 12.509 -7.438 1.00 0.00 C ATOM 769 CE2 TYR A 49 2.881 10.881 -5.964 1.00 0.00 C ATOM 770 CZ TYR A 49 2.827 12.114 -6.574 1.00 0.00 C ATOM 771 OH TYR A 49 1.768 12.963 -6.312 1.00 0.00 O ATOM 0 H TYR A 49 7.922 11.191 -7.945 1.00 0.00 H new ATOM 0 HA TYR A 49 7.078 9.884 -5.484 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.382 9.531 -8.412 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.804 8.452 -7.157 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.669 11.970 -8.370 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.984 9.070 -5.740 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.783 13.477 -7.914 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.096 10.575 -5.289 1.00 0.00 H new ATOM 0 HH TYR A 49 1.151 12.532 -5.684 1.00 0.00 H new ATOM 781 N PHE A 50 8.540 7.919 -5.523 1.00 0.00 N ATOM 782 CA PHE A 50 9.482 6.825 -5.452 1.00 0.00 C ATOM 783 C PHE A 50 8.781 5.590 -4.931 1.00 0.00 C ATOM 784 O PHE A 50 7.917 5.685 -4.063 1.00 0.00 O ATOM 785 CB PHE A 50 10.669 7.187 -4.524 1.00 0.00 C ATOM 786 CG PHE A 50 10.321 7.332 -3.041 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.693 8.473 -2.557 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.632 6.317 -2.141 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.385 8.597 -1.211 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.327 6.438 -0.798 1.00 0.00 C ATOM 791 CZ PHE A 50 9.703 7.579 -0.332 1.00 0.00 C ATOM 0 H PHE A 50 8.035 8.092 -4.654 1.00 0.00 H new ATOM 0 HA PHE A 50 9.872 6.631 -6.451 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.436 6.419 -4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.107 8.123 -4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.442 9.273 -3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.119 5.421 -2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.896 9.490 -0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.576 5.641 -0.113 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.464 7.675 0.717 1.00 0.00 H new ATOM 801 N ARG A 51 9.095 4.453 -5.471 1.00 0.00 N ATOM 802 CA ARG A 51 8.539 3.247 -4.983 1.00 0.00 C ATOM 803 C ARG A 51 9.555 2.540 -4.106 1.00 0.00 C ATOM 804 O ARG A 51 10.744 2.474 -4.442 1.00 0.00 O ATOM 805 CB ARG A 51 8.049 2.372 -6.124 1.00 0.00 C ATOM 806 CG ARG A 51 9.111 1.859 -7.080 1.00 0.00 C ATOM 807 CD ARG A 51 8.453 1.074 -8.180 1.00 0.00 C ATOM 808 NE ARG A 51 9.393 0.351 -9.017 1.00 0.00 N ATOM 809 CZ ARG A 51 9.050 -0.332 -10.111 1.00 0.00 C ATOM 810 NH1 ARG A 51 7.823 -0.213 -10.623 1.00 0.00 N ATOM 811 NH2 ARG A 51 9.940 -1.102 -10.708 1.00 0.00 N ATOM 0 H ARG A 51 9.739 4.344 -6.255 1.00 0.00 H new ATOM 0 HA ARG A 51 7.665 3.471 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.528 1.514 -5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.315 2.937 -6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.673 2.694 -7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.824 1.231 -6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.751 0.366 -7.740 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.872 1.754 -8.803 1.00 0.00 H new ATOM 0 HE ARG A 51 10.378 0.366 -8.752 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.142 0.402 -10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.566 -0.737 -11.459 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.886 -1.173 -10.333 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.682 -1.626 -11.544 1.00 0.00 H new ATOM 825 N HIS A 52 9.105 2.038 -3.002 1.00 0.00 N ATOM 826 CA HIS A 52 9.973 1.417 -2.028 1.00 0.00 C ATOM 827 C HIS A 52 9.273 0.194 -1.499 1.00 0.00 C ATOM 828 O HIS A 52 8.037 0.203 -1.375 1.00 0.00 O ATOM 829 CB HIS A 52 10.249 2.418 -0.880 1.00 0.00 C ATOM 830 CG HIS A 52 11.203 1.938 0.182 1.00 0.00 C ATOM 831 ND1 HIS A 52 10.801 1.542 1.439 1.00 0.00 N ATOM 832 CD2 HIS A 52 12.546 1.831 0.180 1.00 0.00 C ATOM 833 CE1 HIS A 52 11.853 1.218 2.153 1.00 0.00 C ATOM 834 NE2 HIS A 52 12.919 1.382 1.417 1.00 0.00 N ATOM 0 H HIS A 52 8.119 2.042 -2.740 1.00 0.00 H new ATOM 0 HA HIS A 52 10.925 1.134 -2.477 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.645 3.338 -1.310 1.00 0.00 H new ATOM 0 HB3 HIS A 52 9.301 2.670 -0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 52 13.205 2.058 -0.645 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.840 0.874 3.177 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.877 1.204 1.717 1.00 0.00 H new ATOM 843 N LYS A 53 10.017 -0.862 -1.222 1.00 0.00 N ATOM 844 CA LYS A 53 9.407 -2.047 -0.689 1.00 0.00 C ATOM 845 C LYS A 53 8.951 -1.793 0.747 1.00 0.00 C ATOM 846 O LYS A 53 9.632 -1.109 1.516 1.00 0.00 O ATOM 847 CB LYS A 53 10.314 -3.317 -0.861 1.00 0.00 C ATOM 848 CG LYS A 53 11.567 -3.433 0.030 1.00 0.00 C ATOM 849 CD LYS A 53 11.260 -3.997 1.420 1.00 0.00 C ATOM 850 CE LYS A 53 10.765 -5.446 1.358 1.00 0.00 C ATOM 851 NZ LYS A 53 10.348 -5.941 2.685 1.00 0.00 N ATOM 0 H LYS A 53 11.027 -0.916 -1.357 1.00 0.00 H new ATOM 0 HA LYS A 53 8.515 -2.279 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.695 -4.197 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.638 -3.359 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.299 -4.073 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.024 -2.449 0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.157 -3.947 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.505 -3.377 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.927 -5.514 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.556 -6.084 0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.036 -6.930 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.150 -5.884 3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.564 -5.358 3.042 1.00 0.00 H new ATOM 865 N LEU A 54 7.808 -2.295 1.076 1.00 0.00 N ATOM 866 CA LEU A 54 7.204 -2.098 2.374 1.00 0.00 C ATOM 867 C LEU A 54 7.606 -3.283 3.251 1.00 0.00 C ATOM 868 O LEU A 54 8.249 -4.211 2.755 1.00 0.00 O ATOM 869 CB LEU A 54 5.668 -2.087 2.233 1.00 0.00 C ATOM 870 CG LEU A 54 5.067 -1.249 1.104 1.00 0.00 C ATOM 871 CD1 LEU A 54 3.561 -1.433 1.045 1.00 0.00 C ATOM 872 CD2 LEU A 54 5.398 0.206 1.295 1.00 0.00 C ATOM 0 H LEU A 54 7.247 -2.867 0.445 1.00 0.00 H new ATOM 0 HA LEU A 54 7.533 -1.154 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.335 -3.117 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.247 -1.734 3.174 1.00 0.00 H new ATOM 0 HG LEU A 54 5.499 -1.588 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.152 -0.829 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.329 -2.483 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.119 -1.120 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.963 0.788 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.991 0.550 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.480 0.336 1.295 1.00 0.00 H new ATOM 884 N PRO A 55 7.261 -3.293 4.546 1.00 0.00 N ATOM 885 CA PRO A 55 7.527 -4.443 5.387 1.00 0.00 C ATOM 886 C PRO A 55 6.703 -5.615 4.865 1.00 0.00 C ATOM 887 O PRO A 55 5.557 -5.430 4.439 1.00 0.00 O ATOM 888 CB PRO A 55 7.043 -4.002 6.783 1.00 0.00 C ATOM 889 CG PRO A 55 6.956 -2.513 6.698 1.00 0.00 C ATOM 890 CD PRO A 55 6.590 -2.222 5.281 1.00 0.00 C ATOM 0 HA PRO A 55 8.571 -4.756 5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.076 -4.443 7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.739 -4.315 7.561 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.206 -2.123 7.386 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.905 -2.047 6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.511 -2.242 5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.937 -1.237 4.968 1.00 0.00 H new ATOM 898 N ASP A 56 7.263 -6.796 4.883 1.00 0.00 N ATOM 899 CA ASP A 56 6.605 -7.970 4.309 1.00 0.00 C ATOM 900 C ASP A 56 5.326 -8.298 5.059 1.00 0.00 C ATOM 901 O ASP A 56 4.380 -8.863 4.497 1.00 0.00 O ATOM 902 CB ASP A 56 7.534 -9.200 4.294 1.00 0.00 C ATOM 903 CG ASP A 56 8.811 -9.006 3.490 1.00 0.00 C ATOM 904 OD1 ASP A 56 8.842 -8.177 2.555 1.00 0.00 O ATOM 905 OD2 ASP A 56 9.827 -9.672 3.801 1.00 0.00 O ATOM 0 H ASP A 56 8.180 -6.984 5.289 1.00 0.00 H new ATOM 0 HA ASP A 56 6.358 -7.721 3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.799 -9.454 5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.987 -10.050 3.886 1.00 0.00 H new ATOM 910 N ASP A 57 5.283 -7.903 6.310 1.00 0.00 N ATOM 911 CA ASP A 57 4.132 -8.146 7.166 1.00 0.00 C ATOM 912 C ASP A 57 3.238 -6.918 7.291 1.00 0.00 C ATOM 913 O ASP A 57 2.346 -6.886 8.141 1.00 0.00 O ATOM 914 CB ASP A 57 4.571 -8.622 8.561 1.00 0.00 C ATOM 915 CG ASP A 57 5.140 -10.020 8.562 1.00 0.00 C ATOM 916 OD1 ASP A 57 4.363 -10.992 8.718 1.00 0.00 O ATOM 917 OD2 ASP A 57 6.365 -10.173 8.406 1.00 0.00 O ATOM 0 H ASP A 57 6.044 -7.403 6.769 1.00 0.00 H new ATOM 0 HA ASP A 57 3.549 -8.935 6.690 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.318 -7.933 8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.716 -8.584 9.236 1.00 0.00 H new ATOM 922 N TYR A 58 3.460 -5.924 6.453 1.00 0.00 N ATOM 923 CA TYR A 58 2.663 -4.702 6.470 1.00 0.00 C ATOM 924 C TYR A 58 1.278 -5.010 5.897 1.00 0.00 C ATOM 925 O TYR A 58 1.176 -5.584 4.817 1.00 0.00 O ATOM 926 CB TYR A 58 3.374 -3.656 5.621 1.00 0.00 C ATOM 927 CG TYR A 58 2.892 -2.230 5.749 1.00 0.00 C ATOM 928 CD1 TYR A 58 3.056 -1.534 6.936 1.00 0.00 C ATOM 929 CD2 TYR A 58 2.319 -1.564 4.673 1.00 0.00 C ATOM 930 CE1 TYR A 58 2.659 -0.224 7.053 1.00 0.00 C ATOM 931 CE2 TYR A 58 1.929 -0.240 4.779 1.00 0.00 C ATOM 932 CZ TYR A 58 2.101 0.420 5.975 1.00 0.00 C ATOM 933 OH TYR A 58 1.739 1.737 6.094 1.00 0.00 O ATOM 0 H TYR A 58 4.192 -5.935 5.743 1.00 0.00 H new ATOM 0 HA TYR A 58 2.547 -4.323 7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.435 -3.679 5.871 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.287 -3.951 4.575 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.504 -2.030 7.784 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.176 -2.087 3.739 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.785 0.298 7.990 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.494 0.270 3.932 1.00 0.00 H new ATOM 0 HH TYR A 58 0.820 1.854 5.775 1.00 0.00 H new ATOM 943 N PRO A 59 0.206 -4.659 6.605 1.00 0.00 N ATOM 944 CA PRO A 59 -1.132 -4.985 6.167 1.00 0.00 C ATOM 945 C PRO A 59 -1.642 -4.078 5.045 1.00 0.00 C ATOM 946 O PRO A 59 -1.997 -2.907 5.267 1.00 0.00 O ATOM 947 CB PRO A 59 -1.983 -4.843 7.431 1.00 0.00 C ATOM 948 CG PRO A 59 -1.240 -3.883 8.305 1.00 0.00 C ATOM 949 CD PRO A 59 0.209 -3.915 7.881 1.00 0.00 C ATOM 0 HA PRO A 59 -1.172 -5.984 5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.979 -4.468 7.194 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.114 -5.805 7.927 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.647 -2.877 8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.339 -4.163 9.354 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.607 -2.908 7.752 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.830 -4.410 8.628 1.00 0.00 H new ATOM 957 N ILE A 60 -1.634 -4.602 3.849 1.00 0.00 N ATOM 958 CA ILE A 60 -2.163 -3.916 2.703 1.00 0.00 C ATOM 959 C ILE A 60 -3.320 -4.715 2.161 1.00 0.00 C ATOM 960 O ILE A 60 -3.155 -5.932 1.926 1.00 0.00 O ATOM 961 CB ILE A 60 -1.112 -3.614 1.581 1.00 0.00 C ATOM 962 CG1 ILE A 60 -0.439 -4.891 1.050 1.00 0.00 C ATOM 963 CG2 ILE A 60 -0.067 -2.629 2.088 1.00 0.00 C ATOM 964 CD1 ILE A 60 0.480 -4.651 -0.134 1.00 0.00 C ATOM 965 OXT ILE A 60 -4.416 -4.158 1.998 1.00 0.00 O ATOM 0 H ILE A 60 -1.256 -5.526 3.642 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.490 -2.932 3.039 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.650 -3.167 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.134 -5.351 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.211 -5.604 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.657 -2.428 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.555 -1.699 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.446 -3.054 2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.918 -5.597 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.091 -4.220 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.274 -3.963 0.156 1.00 0.00 H new