USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 474 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 25 THR OG1 : rot 40:sc= -3.99! USER MOD Set 1.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 THR N :NH3+ -144:sc= 0.262 (180deg=0.0114) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.536) USER MOD Single : A 8 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.027 X(o=-0.027,f=-0.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0469 USER MOD Single : A 44 THR OG1 : rot 112:sc= 1.17 USER MOD Single : A 46 LYS NZ :NH3+ -137:sc= -1.17 (180deg=-3.63!) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 0.168 (180deg=0.146) USER MOD Single : A 51 THR OG1 : rot 38:sc= 0.209 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0141 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 21.581 12.603 12.296 1.00 0.00 N ATOM 2 CA THR A 1 20.664 13.651 12.813 1.00 0.00 C ATOM 3 C THR A 1 19.224 13.152 12.842 1.00 0.00 C ATOM 4 O THR A 1 18.534 13.257 13.855 1.00 0.00 O ATOM 5 CB THR A 1 20.777 14.885 11.916 1.00 0.00 C ATOM 6 OG1 THR A 1 20.975 14.505 10.564 1.00 0.00 O ATOM 7 CG2 THR A 1 21.913 15.808 12.312 1.00 0.00 C ATOM 0 H1 THR A 1 22.488 12.656 12.801 1.00 0.00 H new ATOM 0 H2 THR A 1 21.156 11.666 12.445 1.00 0.00 H new ATOM 0 H3 THR A 1 21.742 12.753 11.280 1.00 0.00 H new ATOM 0 HA THR A 1 20.947 13.904 13.835 1.00 0.00 H new ATOM 0 HB THR A 1 19.837 15.423 12.038 1.00 0.00 H new ATOM 0 HG1 THR A 1 21.043 15.307 10.005 1.00 0.00 H new ATOM 0 HG21 THR A 1 21.939 16.663 11.637 1.00 0.00 H new ATOM 0 HG22 THR A 1 21.760 16.156 13.333 1.00 0.00 H new ATOM 0 HG23 THR A 1 22.858 15.269 12.251 1.00 0.00 H new ATOM 17 N THR A 2 18.763 12.608 11.712 1.00 0.00 N ATOM 18 CA THR A 2 17.403 12.094 11.608 1.00 0.00 C ATOM 19 C THR A 2 17.410 10.576 11.475 1.00 0.00 C ATOM 20 O THR A 2 18.194 10.010 10.715 1.00 0.00 O ATOM 21 CB THR A 2 16.690 12.723 10.412 1.00 0.00 C ATOM 22 OG1 THR A 2 17.182 12.189 9.196 1.00 0.00 O ATOM 23 CG2 THR A 2 16.842 14.229 10.348 1.00 0.00 C ATOM 0 H THR A 2 19.315 12.514 10.859 1.00 0.00 H new ATOM 0 HA THR A 2 16.866 12.358 12.519 1.00 0.00 H new ATOM 0 HB THR A 2 15.635 12.486 10.548 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.712 12.603 8.443 1.00 0.00 H new ATOM 0 HG21 THR A 2 16.312 14.611 9.476 1.00 0.00 H new ATOM 0 HG22 THR A 2 16.425 14.675 11.251 1.00 0.00 H new ATOM 0 HG23 THR A 2 17.899 14.485 10.272 1.00 0.00 H new ATOM 31 N TYR A 3 16.519 9.921 12.213 1.00 0.00 N ATOM 32 CA TYR A 3 16.412 8.466 12.170 1.00 0.00 C ATOM 33 C TYR A 3 15.246 8.029 11.284 1.00 0.00 C ATOM 34 O TYR A 3 15.418 7.217 10.377 1.00 0.00 O ATOM 35 CB TYR A 3 16.236 7.909 13.586 1.00 0.00 C ATOM 36 CG TYR A 3 17.225 6.820 13.935 1.00 0.00 C ATOM 37 CD1 TYR A 3 18.528 7.129 14.313 1.00 0.00 C ATOM 38 CD2 TYR A 3 16.857 5.480 13.889 1.00 0.00 C ATOM 39 CE1 TYR A 3 19.429 6.136 14.629 1.00 0.00 C ATOM 40 CE2 TYR A 3 17.758 4.481 14.208 1.00 0.00 C ATOM 41 CZ TYR A 3 19.046 4.815 14.580 1.00 0.00 C ATOM 42 OH TYR A 3 19.946 3.825 14.898 1.00 0.00 O ATOM 0 H TYR A 3 15.861 10.374 12.847 1.00 0.00 H new ATOM 0 HA TYR A 3 17.332 8.069 11.742 1.00 0.00 H new ATOM 0 HB2 TYR A 3 16.337 8.724 14.303 1.00 0.00 H new ATOM 0 HB3 TYR A 3 15.224 7.517 13.690 1.00 0.00 H new ATOM 0 HD1 TYR A 3 18.838 8.163 14.359 1.00 0.00 H new ATOM 0 HD2 TYR A 3 15.851 5.215 13.599 1.00 0.00 H new ATOM 0 HE1 TYR A 3 20.438 6.395 14.916 1.00 0.00 H new ATOM 0 HE2 TYR A 3 17.457 3.445 14.167 1.00 0.00 H new ATOM 0 HH TYR A 3 19.513 2.950 14.813 1.00 0.00 H new ATOM 52 N LYS A 4 14.066 8.578 11.554 1.00 0.00 N ATOM 53 CA LYS A 4 12.873 8.247 10.781 1.00 0.00 C ATOM 54 C LYS A 4 12.504 9.391 9.850 1.00 0.00 C ATOM 55 O LYS A 4 13.296 10.312 9.640 1.00 0.00 O ATOM 56 CB LYS A 4 11.704 7.927 11.716 1.00 0.00 C ATOM 57 CG LYS A 4 12.069 6.955 12.830 1.00 0.00 C ATOM 58 CD LYS A 4 11.267 7.230 14.093 1.00 0.00 C ATOM 59 CE LYS A 4 12.072 6.926 15.342 1.00 0.00 C ATOM 60 NZ LYS A 4 13.101 7.972 15.610 1.00 0.00 N ATOM 0 H LYS A 4 13.910 9.254 12.302 1.00 0.00 H new ATOM 0 HA LYS A 4 13.089 7.366 10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.338 8.854 12.158 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.885 7.507 11.131 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.887 5.933 12.497 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.134 7.034 13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.954 8.274 14.106 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.360 6.626 14.088 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.400 6.850 16.197 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.559 5.957 15.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.922 7.539 16.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.402 8.401 14.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.697 8.706 16.226 1.00 0.00 H new ATOM 74 N LEU A 5 11.303 9.322 9.284 1.00 0.00 N ATOM 75 CA LEU A 5 10.846 10.351 8.364 1.00 0.00 C ATOM 76 C LEU A 5 9.386 10.127 7.964 1.00 0.00 C ATOM 77 O LEU A 5 9.063 9.167 7.268 1.00 0.00 O ATOM 78 CB LEU A 5 11.733 10.358 7.121 1.00 0.00 C ATOM 79 CG LEU A 5 12.151 11.747 6.629 1.00 0.00 C ATOM 80 CD1 LEU A 5 13.121 12.396 7.601 1.00 0.00 C ATOM 81 CD2 LEU A 5 12.760 11.652 5.236 1.00 0.00 C ATOM 0 H LEU A 5 10.635 8.569 9.446 1.00 0.00 H new ATOM 0 HA LEU A 5 10.913 11.316 8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 5 12.632 9.779 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.206 9.847 6.315 1.00 0.00 H new ATOM 0 HG LEU A 5 11.262 12.376 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 5 13.403 13.381 7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 5 12.645 12.498 8.576 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.012 11.775 7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.053 12.646 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 5 13.637 11.006 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.026 11.236 4.546 1.00 0.00 H new ATOM 93 N ILE A 6 8.517 11.028 8.409 1.00 0.00 N ATOM 94 CA ILE A 6 7.101 10.937 8.101 1.00 0.00 C ATOM 95 C ILE A 6 6.708 11.967 7.049 1.00 0.00 C ATOM 96 O ILE A 6 6.797 13.174 7.285 1.00 0.00 O ATOM 97 CB ILE A 6 6.233 11.145 9.357 1.00 0.00 C ATOM 98 CG1 ILE A 6 6.720 10.250 10.499 1.00 0.00 C ATOM 99 CG2 ILE A 6 4.771 10.865 9.043 1.00 0.00 C ATOM 100 CD1 ILE A 6 6.875 10.980 11.813 1.00 0.00 C ATOM 0 H ILE A 6 8.773 11.830 8.985 1.00 0.00 H new ATOM 0 HA ILE A 6 6.924 9.933 7.714 1.00 0.00 H new ATOM 0 HB ILE A 6 6.324 12.184 9.674 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.017 9.427 10.630 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.678 9.810 10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.171 11.016 9.940 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.431 11.543 8.260 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.663 9.835 8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.223 10.285 12.577 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.600 11.786 11.698 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.914 11.397 12.113 1.00 0.00 H new ATOM 112 N LEU A 7 6.279 11.490 5.886 1.00 0.00 N ATOM 113 CA LEU A 7 5.875 12.376 4.798 1.00 0.00 C ATOM 114 C LEU A 7 4.438 12.093 4.372 1.00 0.00 C ATOM 115 O LEU A 7 3.585 12.979 4.404 1.00 0.00 O ATOM 116 CB LEU A 7 6.811 12.233 3.588 1.00 0.00 C ATOM 117 CG LEU A 7 8.155 11.549 3.854 1.00 0.00 C ATOM 118 CD1 LEU A 7 8.867 12.227 5.010 1.00 0.00 C ATOM 119 CD2 LEU A 7 7.959 10.065 4.128 1.00 0.00 C ATOM 0 H LEU A 7 6.202 10.496 5.671 1.00 0.00 H new ATOM 0 HA LEU A 7 5.940 13.399 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.288 11.672 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.006 13.227 3.185 1.00 0.00 H new ATOM 0 HG LEU A 7 8.777 11.644 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.821 11.732 5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.042 13.275 4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.250 12.162 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.926 9.599 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.320 9.938 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.490 9.594 3.264 1.00 0.00 H new ATOM 131 N ASN A 8 4.180 10.854 3.968 1.00 0.00 N ATOM 132 CA ASN A 8 2.845 10.454 3.533 1.00 0.00 C ATOM 133 C ASN A 8 2.812 8.986 3.116 1.00 0.00 C ATOM 134 O ASN A 8 1.808 8.303 3.311 1.00 0.00 O ATOM 135 CB ASN A 8 2.382 11.339 2.369 1.00 0.00 C ATOM 136 CG ASN A 8 1.185 12.194 2.735 1.00 0.00 C ATOM 137 OD1 ASN A 8 0.062 11.701 2.833 1.00 0.00 O ATOM 138 ND2 ASN A 8 1.421 13.485 2.939 1.00 0.00 N ATOM 0 H ASN A 8 4.876 10.109 3.932 1.00 0.00 H new ATOM 0 HA ASN A 8 2.166 10.581 4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.204 11.983 2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.129 10.710 1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.655 14.110 3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.369 13.851 2.847 1.00 0.00 H new ATOM 145 N LEU A 9 3.917 8.503 2.557 1.00 0.00 N ATOM 146 CA LEU A 9 4.007 7.111 2.132 1.00 0.00 C ATOM 147 C LEU A 9 4.475 6.261 3.295 1.00 0.00 C ATOM 148 O LEU A 9 3.960 5.172 3.543 1.00 0.00 O ATOM 149 CB LEU A 9 4.967 6.960 0.953 1.00 0.00 C ATOM 150 CG LEU A 9 4.483 7.575 -0.360 1.00 0.00 C ATOM 151 CD1 LEU A 9 3.134 6.993 -0.757 1.00 0.00 C ATOM 152 CD2 LEU A 9 4.397 9.090 -0.237 1.00 0.00 C ATOM 0 H LEU A 9 4.760 9.053 2.388 1.00 0.00 H new ATOM 0 HA LEU A 9 3.021 6.779 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.920 7.416 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.155 5.899 0.791 1.00 0.00 H new ATOM 0 HG LEU A 9 5.204 7.333 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.805 7.443 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.226 5.914 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.403 7.205 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.051 9.513 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.697 9.351 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.382 9.492 0.001 1.00 0.00 H new ATOM 164 N LYS A 10 5.454 6.792 4.017 1.00 0.00 N ATOM 165 CA LYS A 10 6.011 6.130 5.181 1.00 0.00 C ATOM 166 C LYS A 10 4.895 5.604 6.075 1.00 0.00 C ATOM 167 O LYS A 10 5.000 4.527 6.664 1.00 0.00 O ATOM 168 CB LYS A 10 6.886 7.119 5.946 1.00 0.00 C ATOM 169 CG LYS A 10 8.272 6.587 6.270 1.00 0.00 C ATOM 170 CD LYS A 10 9.287 6.992 5.214 1.00 0.00 C ATOM 171 CE LYS A 10 10.532 6.127 5.279 1.00 0.00 C ATOM 172 NZ LYS A 10 11.643 6.681 4.453 1.00 0.00 N ATOM 0 H LYS A 10 5.882 7.694 3.809 1.00 0.00 H new ATOM 0 HA LYS A 10 6.617 5.282 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.985 8.032 5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.385 7.391 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.588 6.963 7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.237 5.500 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.837 6.910 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.561 8.038 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.859 6.041 6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 10 10.292 5.121 4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.473 6.059 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.341 6.740 3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.891 7.631 4.796 1.00 0.00 H new ATOM 186 N GLN A 11 3.820 6.378 6.155 1.00 0.00 N ATOM 187 CA GLN A 11 2.661 6.012 6.955 1.00 0.00 C ATOM 188 C GLN A 11 1.964 4.797 6.352 1.00 0.00 C ATOM 189 O GLN A 11 1.513 3.904 7.071 1.00 0.00 O ATOM 190 CB GLN A 11 1.695 7.197 7.036 1.00 0.00 C ATOM 191 CG GLN A 11 0.389 6.886 7.751 1.00 0.00 C ATOM 192 CD GLN A 11 0.406 7.311 9.206 1.00 0.00 C ATOM 193 OE1 GLN A 11 1.368 7.050 9.929 1.00 0.00 O ATOM 194 NE2 GLN A 11 -0.660 7.968 9.644 1.00 0.00 N ATOM 0 H GLN A 11 3.728 7.271 5.670 1.00 0.00 H new ATOM 0 HA GLN A 11 2.990 5.754 7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.190 8.021 7.549 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.471 7.539 6.026 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.430 7.390 7.239 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.192 5.816 7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.435 8.163 9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.705 8.278 10.615 1.00 0.00 H new ATOM 203 N ALA A 12 1.888 4.769 5.025 1.00 0.00 N ATOM 204 CA ALA A 12 1.256 3.662 4.316 1.00 0.00 C ATOM 205 C ALA A 12 2.178 2.448 4.278 1.00 0.00 C ATOM 206 O ALA A 12 1.744 1.320 4.505 1.00 0.00 O ATOM 207 CB ALA A 12 0.881 4.085 2.904 1.00 0.00 C ATOM 0 H ALA A 12 2.257 5.501 4.418 1.00 0.00 H new ATOM 0 HA ALA A 12 0.348 3.386 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.410 3.249 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.185 4.923 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.779 4.387 2.364 1.00 0.00 H new ATOM 213 N LYS A 13 3.455 2.691 3.992 1.00 0.00 N ATOM 214 CA LYS A 13 4.440 1.607 3.929 1.00 0.00 C ATOM 215 C LYS A 13 4.482 0.847 5.249 1.00 0.00 C ATOM 216 O LYS A 13 4.412 -0.381 5.274 1.00 0.00 O ATOM 217 CB LYS A 13 5.841 2.137 3.591 1.00 0.00 C ATOM 218 CG LYS A 13 6.887 1.038 3.475 1.00 0.00 C ATOM 219 CD LYS A 13 7.958 1.163 4.549 1.00 0.00 C ATOM 220 CE LYS A 13 9.282 1.630 3.965 1.00 0.00 C ATOM 221 NZ LYS A 13 10.429 1.293 4.852 1.00 0.00 N ATOM 0 H LYS A 13 3.832 3.619 3.801 1.00 0.00 H new ATOM 0 HA LYS A 13 4.130 0.930 3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.797 2.688 2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.150 2.844 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.403 0.065 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.353 1.081 2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.628 1.867 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.096 0.200 5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.431 1.169 2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.249 2.708 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.313 1.628 4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.300 1.753 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.476 0.262 4.982 1.00 0.00 H new ATOM 235 N GLU A 14 4.590 1.586 6.350 1.00 0.00 N ATOM 236 CA GLU A 14 4.632 0.978 7.676 1.00 0.00 C ATOM 237 C GLU A 14 3.324 0.253 7.970 1.00 0.00 C ATOM 238 O GLU A 14 3.308 -0.780 8.638 1.00 0.00 O ATOM 239 CB GLU A 14 4.900 2.033 8.754 1.00 0.00 C ATOM 240 CG GLU A 14 6.263 2.696 8.636 1.00 0.00 C ATOM 241 CD GLU A 14 7.093 2.553 9.899 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.891 1.562 10.632 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.942 3.431 10.151 1.00 0.00 O ATOM 0 H GLU A 14 4.650 2.604 6.350 1.00 0.00 H new ATOM 0 HA GLU A 14 5.449 0.256 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.127 2.800 8.699 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.817 1.566 9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.805 2.258 7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.130 3.754 8.411 1.00 0.00 H new ATOM 250 N GLU A 15 2.225 0.805 7.463 1.00 0.00 N ATOM 251 CA GLU A 15 0.910 0.214 7.664 1.00 0.00 C ATOM 252 C GLU A 15 0.744 -1.037 6.807 1.00 0.00 C ATOM 253 O GLU A 15 0.068 -1.989 7.200 1.00 0.00 O ATOM 254 CB GLU A 15 -0.185 1.230 7.327 1.00 0.00 C ATOM 255 CG GLU A 15 -0.837 1.852 8.551 1.00 0.00 C ATOM 256 CD GLU A 15 -2.352 1.842 8.475 1.00 0.00 C ATOM 257 OE1 GLU A 15 -2.909 0.897 7.880 1.00 0.00 O ATOM 258 OE2 GLU A 15 -2.978 2.777 9.015 1.00 0.00 O ATOM 0 H GLU A 15 2.222 1.662 6.910 1.00 0.00 H new ATOM 0 HA GLU A 15 0.819 -0.070 8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.243 2.022 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.952 0.740 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.518 1.311 9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.489 2.879 8.660 1.00 0.00 H new ATOM 265 N ALA A 16 1.366 -1.026 5.634 1.00 0.00 N ATOM 266 CA ALA A 16 1.290 -2.156 4.713 1.00 0.00 C ATOM 267 C ALA A 16 2.052 -3.365 5.252 1.00 0.00 C ATOM 268 O ALA A 16 1.634 -4.507 5.063 1.00 0.00 O ATOM 269 CB ALA A 16 1.828 -1.755 3.346 1.00 0.00 C ATOM 0 H ALA A 16 1.930 -0.246 5.297 1.00 0.00 H new ATOM 0 HA ALA A 16 0.243 -2.441 4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.767 -2.605 2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.236 -0.930 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.868 -1.442 3.442 1.00 0.00 H new ATOM 275 N ILE A 17 3.176 -3.109 5.915 1.00 0.00 N ATOM 276 CA ILE A 17 3.998 -4.179 6.469 1.00 0.00 C ATOM 277 C ILE A 17 3.342 -4.816 7.696 1.00 0.00 C ATOM 278 O ILE A 17 3.219 -6.036 7.778 1.00 0.00 O ATOM 279 CB ILE A 17 5.419 -3.682 6.838 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.218 -4.808 7.510 1.00 0.00 C ATOM 281 CG2 ILE A 17 5.353 -2.461 7.745 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.163 -6.107 6.743 1.00 0.00 C ATOM 0 H ILE A 17 3.538 -2.170 6.081 1.00 0.00 H new ATOM 0 HA ILE A 17 4.087 -4.934 5.688 1.00 0.00 H new ATOM 0 HB ILE A 17 5.927 -3.391 5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.258 -4.497 7.614 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.832 -4.970 8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.364 -2.133 7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.824 -1.657 7.234 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.824 -2.718 8.663 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.746 -6.864 7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.128 -6.438 6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.575 -5.958 5.745 1.00 0.00 H new ATOM 294 N LYS A 18 2.928 -3.983 8.643 1.00 0.00 N ATOM 295 CA LYS A 18 2.292 -4.456 9.867 1.00 0.00 C ATOM 296 C LYS A 18 1.042 -5.261 9.547 1.00 0.00 C ATOM 297 O LYS A 18 0.774 -6.278 10.187 1.00 0.00 O ATOM 298 CB LYS A 18 1.952 -3.286 10.797 1.00 0.00 C ATOM 299 CG LYS A 18 1.010 -2.259 10.192 1.00 0.00 C ATOM 300 CD LYS A 18 0.027 -1.729 11.223 1.00 0.00 C ATOM 301 CE LYS A 18 0.557 -0.480 11.907 1.00 0.00 C ATOM 302 NZ LYS A 18 -0.541 0.365 12.455 1.00 0.00 N ATOM 0 H LYS A 18 3.022 -2.969 8.586 1.00 0.00 H new ATOM 0 HA LYS A 18 2.999 -5.106 10.383 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.503 -3.681 11.709 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.877 -2.787 11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.588 -1.432 9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.463 -2.709 9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.924 -1.505 10.739 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.169 -2.499 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.231 -0.767 12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.142 0.103 11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.136 1.206 12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.170 0.661 11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.084 -0.182 13.153 1.00 0.00 H new ATOM 316 N GLU A 19 0.292 -4.826 8.538 1.00 0.00 N ATOM 317 CA GLU A 19 -0.904 -5.548 8.140 1.00 0.00 C ATOM 318 C GLU A 19 -0.498 -6.920 7.646 1.00 0.00 C ATOM 319 O GLU A 19 -1.109 -7.929 7.996 1.00 0.00 O ATOM 320 CB GLU A 19 -1.678 -4.793 7.055 1.00 0.00 C ATOM 321 CG GLU A 19 -2.212 -3.445 7.517 1.00 0.00 C ATOM 322 CD GLU A 19 -3.620 -3.536 8.067 1.00 0.00 C ATOM 323 OE1 GLU A 19 -3.821 -4.242 9.078 1.00 0.00 O ATOM 324 OE2 GLU A 19 -4.527 -2.901 7.485 1.00 0.00 O ATOM 0 H GLU A 19 0.490 -3.989 7.990 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.567 -5.642 9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.027 -4.641 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.512 -5.409 6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.552 -3.040 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.197 -2.746 6.681 1.00 0.00 H new ATOM 331 N LEU A 20 0.578 -6.957 6.868 1.00 0.00 N ATOM 332 CA LEU A 20 1.100 -8.211 6.382 1.00 0.00 C ATOM 333 C LEU A 20 1.620 -9.008 7.566 1.00 0.00 C ATOM 334 O LEU A 20 1.489 -10.230 7.624 1.00 0.00 O ATOM 335 CB LEU A 20 2.217 -7.960 5.380 1.00 0.00 C ATOM 336 CG LEU A 20 2.054 -8.712 4.066 1.00 0.00 C ATOM 337 CD1 LEU A 20 1.205 -7.889 3.116 1.00 0.00 C ATOM 338 CD2 LEU A 20 3.410 -9.030 3.458 1.00 0.00 C ATOM 0 H LEU A 20 1.098 -6.133 6.566 1.00 0.00 H new ATOM 0 HA LEU A 20 0.313 -8.772 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.269 -6.892 5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.167 -8.243 5.833 1.00 0.00 H new ATOM 0 HG LEU A 20 1.550 -9.660 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.087 -8.426 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.225 -7.717 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.692 -6.932 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.271 -9.567 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.950 -8.102 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.983 -9.649 4.149 1.00 0.00 H new ATOM 350 N VAL A 21 2.196 -8.283 8.522 1.00 0.00 N ATOM 351 CA VAL A 21 2.725 -8.893 9.733 1.00 0.00 C ATOM 352 C VAL A 21 1.591 -9.498 10.554 1.00 0.00 C ATOM 353 O VAL A 21 1.761 -10.536 11.191 1.00 0.00 O ATOM 354 CB VAL A 21 3.513 -7.893 10.611 1.00 0.00 C ATOM 355 CG1 VAL A 21 4.122 -8.605 11.812 1.00 0.00 C ATOM 356 CG2 VAL A 21 4.596 -7.201 9.794 1.00 0.00 C ATOM 0 H VAL A 21 2.307 -7.270 8.478 1.00 0.00 H new ATOM 0 HA VAL A 21 3.419 -9.671 9.415 1.00 0.00 H new ATOM 0 HB VAL A 21 2.821 -7.134 10.974 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.673 -7.887 12.420 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.329 -9.053 12.410 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.801 -9.385 11.467 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.140 -6.501 10.429 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.287 -7.946 9.401 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.137 -6.659 8.967 1.00 0.00 H new ATOM 366 N ASP A 22 0.433 -8.839 10.529 1.00 0.00 N ATOM 367 CA ASP A 22 -0.729 -9.316 11.270 1.00 0.00 C ATOM 368 C ASP A 22 -1.366 -10.526 10.587 1.00 0.00 C ATOM 369 O ASP A 22 -2.136 -11.261 11.205 1.00 0.00 O ATOM 370 CB ASP A 22 -1.760 -8.193 11.416 1.00 0.00 C ATOM 371 CG ASP A 22 -1.765 -7.591 12.807 1.00 0.00 C ATOM 372 OD1 ASP A 22 -2.493 -8.114 13.678 1.00 0.00 O ATOM 373 OD2 ASP A 22 -1.040 -6.598 13.028 1.00 0.00 O ATOM 0 H ASP A 22 0.277 -7.978 10.006 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.392 -9.625 12.259 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.548 -7.412 10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.752 -8.582 11.188 1.00 0.00 H new ATOM 378 N ALA A 23 -1.050 -10.728 9.308 1.00 0.00 N ATOM 379 CA ALA A 23 -1.603 -11.849 8.558 1.00 0.00 C ATOM 380 C ALA A 23 -0.528 -12.559 7.733 1.00 0.00 C ATOM 381 O ALA A 23 0.063 -13.540 8.184 1.00 0.00 O ATOM 382 CB ALA A 23 -2.738 -11.371 7.663 1.00 0.00 C ATOM 0 H ALA A 23 -0.417 -10.132 8.774 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.996 -12.572 9.273 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.144 -12.216 7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.523 -10.929 8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.360 -10.625 6.964 1.00 0.00 H new ATOM 388 N GLY A 24 -0.284 -12.063 6.522 1.00 0.00 N ATOM 389 CA GLY A 24 0.714 -12.669 5.656 1.00 0.00 C ATOM 390 C GLY A 24 0.468 -12.359 4.193 1.00 0.00 C ATOM 391 O GLY A 24 1.211 -11.594 3.583 1.00 0.00 O ATOM 0 H GLY A 24 -0.759 -11.253 6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.704 -12.311 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.711 -13.749 5.802 1.00 0.00 H new ATOM 395 N THR A 25 -0.585 -12.951 3.633 1.00 0.00 N ATOM 396 CA THR A 25 -0.947 -12.734 2.231 1.00 0.00 C ATOM 397 C THR A 25 0.279 -12.740 1.318 1.00 0.00 C ATOM 398 O THR A 25 1.363 -13.145 1.722 1.00 0.00 O ATOM 399 CB THR A 25 -1.705 -11.409 2.086 1.00 0.00 C ATOM 400 OG1 THR A 25 -2.451 -11.387 0.883 1.00 0.00 O ATOM 401 CG2 THR A 25 -0.806 -10.184 2.095 1.00 0.00 C ATOM 0 H THR A 25 -1.207 -13.588 4.131 1.00 0.00 H new ATOM 0 HA THR A 25 -1.590 -13.559 1.923 1.00 0.00 H new ATOM 0 HB THR A 25 -2.356 -11.360 2.959 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.854 -12.267 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.414 -9.286 1.988 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.258 -10.142 3.036 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.100 -10.245 1.267 1.00 0.00 H new ATOM 409 N ALA A 26 0.090 -12.271 0.088 1.00 0.00 N ATOM 410 CA ALA A 26 1.168 -12.202 -0.883 1.00 0.00 C ATOM 411 C ALA A 26 2.033 -10.974 -0.652 1.00 0.00 C ATOM 412 O ALA A 26 1.707 -9.880 -1.115 1.00 0.00 O ATOM 413 CB ALA A 26 0.603 -12.198 -2.294 1.00 0.00 C ATOM 0 H ALA A 26 -0.808 -11.932 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 26 1.797 -13.083 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.420 -12.146 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.031 -13.111 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.049 -11.334 -2.423 1.00 0.00 H new ATOM 419 N GLU A 27 3.136 -11.155 0.068 1.00 0.00 N ATOM 420 CA GLU A 27 4.047 -10.054 0.366 1.00 0.00 C ATOM 421 C GLU A 27 4.480 -9.339 -0.912 1.00 0.00 C ATOM 422 O GLU A 27 4.773 -8.144 -0.897 1.00 0.00 O ATOM 423 CB GLU A 27 5.282 -10.561 1.116 1.00 0.00 C ATOM 424 CG GLU A 27 4.972 -11.610 2.174 1.00 0.00 C ATOM 425 CD GLU A 27 5.551 -11.261 3.531 1.00 0.00 C ATOM 426 OE1 GLU A 27 6.744 -10.899 3.595 1.00 0.00 O ATOM 427 OE2 GLU A 27 4.809 -11.347 4.533 1.00 0.00 O ATOM 0 H GLU A 27 3.421 -12.054 0.456 1.00 0.00 H new ATOM 0 HA GLU A 27 3.512 -9.346 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.985 -10.981 0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.779 -9.715 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.891 -11.723 2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.367 -12.573 1.852 1.00 0.00 H new ATOM 434 N LYS A 28 4.523 -10.081 -2.015 1.00 0.00 N ATOM 435 CA LYS A 28 4.922 -9.524 -3.306 1.00 0.00 C ATOM 436 C LYS A 28 4.229 -8.190 -3.569 1.00 0.00 C ATOM 437 O LYS A 28 4.816 -7.278 -4.152 1.00 0.00 O ATOM 438 CB LYS A 28 4.599 -10.504 -4.430 1.00 0.00 C ATOM 439 CG LYS A 28 5.312 -11.847 -4.288 1.00 0.00 C ATOM 440 CD LYS A 28 4.341 -12.960 -3.929 1.00 0.00 C ATOM 441 CE LYS A 28 4.694 -14.256 -4.640 1.00 0.00 C ATOM 442 NZ LYS A 28 3.672 -15.313 -4.407 1.00 0.00 N ATOM 0 H LYS A 28 4.286 -11.073 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 28 5.998 -9.353 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.523 -10.674 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.874 -10.054 -5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.818 -12.092 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.081 -11.772 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.352 -13.120 -2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.328 -12.661 -4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.786 -14.070 -5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.666 -14.608 -4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.949 -16.181 -4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.602 -15.509 -3.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.750 -14.988 -4.761 1.00 0.00 H new ATOM 456 N TYR A 29 2.979 -8.075 -3.130 1.00 0.00 N ATOM 457 CA TYR A 29 2.231 -6.844 -3.322 1.00 0.00 C ATOM 458 C TYR A 29 2.879 -5.713 -2.534 1.00 0.00 C ATOM 459 O TYR A 29 2.949 -4.577 -3.001 1.00 0.00 O ATOM 460 CB TYR A 29 0.777 -7.028 -2.900 1.00 0.00 C ATOM 461 CG TYR A 29 -0.208 -6.737 -3.995 1.00 0.00 C ATOM 462 CD1 TYR A 29 -0.300 -5.478 -4.571 1.00 0.00 C ATOM 463 CD2 TYR A 29 -1.051 -7.734 -4.448 1.00 0.00 C ATOM 464 CE1 TYR A 29 -1.212 -5.227 -5.577 1.00 0.00 C ATOM 465 CE2 TYR A 29 -1.961 -7.494 -5.448 1.00 0.00 C ATOM 466 CZ TYR A 29 -2.041 -6.240 -6.013 1.00 0.00 C ATOM 467 OH TYR A 29 -2.952 -5.994 -7.014 1.00 0.00 O ATOM 0 H TYR A 29 2.470 -8.813 -2.644 1.00 0.00 H new ATOM 0 HA TYR A 29 2.246 -6.586 -4.381 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.634 -8.053 -2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.568 -6.376 -2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.349 -4.685 -4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.993 -8.719 -4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.276 -4.244 -6.020 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.612 -8.285 -5.790 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.457 -6.812 -7.205 1.00 0.00 H new ATOM 477 N ILE A 30 3.375 -6.039 -1.344 1.00 0.00 N ATOM 478 CA ILE A 30 4.046 -5.056 -0.504 1.00 0.00 C ATOM 479 C ILE A 30 5.282 -4.537 -1.213 1.00 0.00 C ATOM 480 O ILE A 30 5.657 -3.374 -1.075 1.00 0.00 O ATOM 481 CB ILE A 30 4.426 -5.646 0.868 1.00 0.00 C ATOM 482 CG1 ILE A 30 3.179 -6.209 1.559 1.00 0.00 C ATOM 483 CG2 ILE A 30 5.089 -4.590 1.740 1.00 0.00 C ATOM 484 CD1 ILE A 30 1.899 -5.484 1.190 1.00 0.00 C ATOM 0 H ILE A 30 3.324 -6.975 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 30 3.354 -4.233 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 30 5.139 -6.456 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.076 -7.263 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.318 -6.157 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.350 -5.026 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.992 -4.228 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.400 -3.759 1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.059 -5.937 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.981 -4.435 1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.736 -5.558 0.115 1.00 0.00 H new ATOM 496 N LYS A 31 5.888 -5.404 -2.009 1.00 0.00 N ATOM 497 CA LYS A 31 7.057 -5.026 -2.784 1.00 0.00 C ATOM 498 C LYS A 31 6.651 -3.969 -3.806 1.00 0.00 C ATOM 499 O LYS A 31 7.439 -3.093 -4.162 1.00 0.00 O ATOM 500 CB LYS A 31 7.656 -6.246 -3.487 1.00 0.00 C ATOM 501 CG LYS A 31 8.887 -5.925 -4.318 1.00 0.00 C ATOM 502 CD LYS A 31 8.914 -6.726 -5.610 1.00 0.00 C ATOM 503 CE LYS A 31 8.437 -5.897 -6.791 1.00 0.00 C ATOM 504 NZ LYS A 31 7.955 -6.749 -7.912 1.00 0.00 N ATOM 0 H LYS A 31 5.590 -6.371 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 31 7.817 -4.618 -2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.918 -6.994 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.899 -6.692 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.903 -4.860 -4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.785 -6.139 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.928 -7.080 -5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.283 -7.608 -5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.634 -5.234 -6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.252 -5.263 -7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.639 -6.144 -8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.728 -7.364 -8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.161 -7.336 -7.586 1.00 0.00 H new ATOM 518 N LEU A 32 5.399 -4.058 -4.257 1.00 0.00 N ATOM 519 CA LEU A 32 4.854 -3.112 -5.223 1.00 0.00 C ATOM 520 C LEU A 32 4.467 -1.800 -4.543 1.00 0.00 C ATOM 521 O LEU A 32 4.562 -0.730 -5.142 1.00 0.00 O ATOM 522 CB LEU A 32 3.623 -3.717 -5.917 1.00 0.00 C ATOM 523 CG LEU A 32 3.549 -3.474 -7.426 1.00 0.00 C ATOM 524 CD1 LEU A 32 2.733 -4.567 -8.100 1.00 0.00 C ATOM 525 CD2 LEU A 32 2.952 -2.106 -7.715 1.00 0.00 C ATOM 0 H LEU A 32 4.742 -4.782 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 32 5.624 -2.904 -5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.614 -4.792 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.725 -3.308 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 32 4.560 -3.500 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.690 -4.380 -9.173 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.201 -5.535 -7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.722 -4.571 -7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.907 -1.949 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.946 -2.052 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.574 -1.334 -7.262 1.00 0.00 H new ATOM 537 N ILE A 33 4.022 -1.892 -3.291 1.00 0.00 N ATOM 538 CA ILE A 33 3.612 -0.713 -2.536 1.00 0.00 C ATOM 539 C ILE A 33 4.812 0.152 -2.161 1.00 0.00 C ATOM 540 O ILE A 33 4.695 1.372 -2.037 1.00 0.00 O ATOM 541 CB ILE A 33 2.805 -1.094 -1.267 1.00 0.00 C ATOM 542 CG1 ILE A 33 3.727 -1.468 -0.100 1.00 0.00 C ATOM 543 CG2 ILE A 33 1.854 -2.239 -1.579 1.00 0.00 C ATOM 544 CD1 ILE A 33 3.770 -0.421 0.993 1.00 0.00 C ATOM 0 H ILE A 33 3.937 -2.771 -2.780 1.00 0.00 H new ATOM 0 HA ILE A 33 2.959 -0.132 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 33 2.228 -0.221 -0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.395 -2.414 0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.736 -1.627 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.292 -2.500 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.163 -1.934 -2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.425 -3.105 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.441 -0.751 1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.131 0.521 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.769 -0.279 1.400 1.00 0.00 H new ATOM 556 N ALA A 34 5.967 -0.483 -1.987 1.00 0.00 N ATOM 557 CA ALA A 34 7.188 0.235 -1.634 1.00 0.00 C ATOM 558 C ALA A 34 7.476 1.349 -2.637 1.00 0.00 C ATOM 559 O ALA A 34 8.121 2.343 -2.306 1.00 0.00 O ATOM 560 CB ALA A 34 8.363 -0.728 -1.559 1.00 0.00 C ATOM 0 H ALA A 34 6.084 -1.492 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 34 7.044 0.691 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.267 -0.179 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.164 -1.486 -0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.501 -1.210 -2.527 1.00 0.00 H new ATOM 566 N ASN A 35 6.990 1.176 -3.862 1.00 0.00 N ATOM 567 CA ASN A 35 7.191 2.166 -4.915 1.00 0.00 C ATOM 568 C ASN A 35 5.972 3.081 -5.055 1.00 0.00 C ATOM 569 O ASN A 35 5.981 4.017 -5.853 1.00 0.00 O ATOM 570 CB ASN A 35 7.477 1.469 -6.247 1.00 0.00 C ATOM 571 CG ASN A 35 8.862 1.786 -6.778 1.00 0.00 C ATOM 572 OD1 ASN A 35 9.295 2.939 -6.769 1.00 0.00 O ATOM 573 ND2 ASN A 35 9.565 0.763 -7.249 1.00 0.00 N ATOM 0 H ASN A 35 6.453 0.358 -4.151 1.00 0.00 H new ATOM 0 HA ASN A 35 8.048 2.781 -4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.378 0.391 -6.119 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.731 1.773 -6.981 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.502 0.917 -7.622 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.168 -0.177 -7.238 1.00 0.00 H new ATOM 580 N ALA A 36 4.926 2.806 -4.277 1.00 0.00 N ATOM 581 CA ALA A 36 3.708 3.608 -4.319 1.00 0.00 C ATOM 582 C ALA A 36 4.019 5.093 -4.162 1.00 0.00 C ATOM 583 O ALA A 36 4.787 5.487 -3.284 1.00 0.00 O ATOM 584 CB ALA A 36 2.737 3.153 -3.241 1.00 0.00 C ATOM 0 H ALA A 36 4.899 2.034 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 36 3.244 3.463 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.833 3.761 -3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.479 2.106 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.202 3.265 -2.262 1.00 0.00 H new ATOM 590 N LYS A 37 3.414 5.913 -5.015 1.00 0.00 N ATOM 591 CA LYS A 37 3.625 7.360 -4.962 1.00 0.00 C ATOM 592 C LYS A 37 2.446 8.045 -4.281 1.00 0.00 C ATOM 593 O LYS A 37 2.621 9.014 -3.541 1.00 0.00 O ATOM 594 CB LYS A 37 3.827 7.940 -6.364 1.00 0.00 C ATOM 595 CG LYS A 37 4.435 9.332 -6.354 1.00 0.00 C ATOM 596 CD LYS A 37 3.790 10.231 -7.401 1.00 0.00 C ATOM 597 CE LYS A 37 4.260 9.884 -8.804 1.00 0.00 C ATOM 598 NZ LYS A 37 5.047 10.993 -9.418 1.00 0.00 N ATOM 0 H LYS A 37 2.776 5.605 -5.749 1.00 0.00 H new ATOM 0 HA LYS A 37 4.529 7.545 -4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.472 7.273 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.866 7.974 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.313 9.776 -5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.506 9.263 -6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.706 10.134 -7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.029 11.272 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.870 8.982 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.397 9.661 -9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.349 10.717 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.457 11.847 -9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.885 11.189 -8.834 1.00 0.00 H new ATOM 612 N THR A 38 1.250 7.527 -4.527 1.00 0.00 N ATOM 613 CA THR A 38 0.041 8.080 -3.929 1.00 0.00 C ATOM 614 C THR A 38 -0.371 7.262 -2.712 1.00 0.00 C ATOM 615 O THR A 38 -0.372 6.031 -2.752 1.00 0.00 O ATOM 616 CB THR A 38 -1.096 8.104 -4.955 1.00 0.00 C ATOM 617 OG1 THR A 38 -0.877 7.143 -5.970 1.00 0.00 O ATOM 618 CG2 THR A 38 -1.264 9.451 -5.626 1.00 0.00 C ATOM 0 H THR A 38 1.091 6.725 -5.136 1.00 0.00 H new ATOM 0 HA THR A 38 0.249 9.101 -3.610 1.00 0.00 H new ATOM 0 HB THR A 38 -2.001 7.880 -4.390 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.615 7.173 -6.614 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.085 9.401 -6.341 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.484 10.208 -4.873 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.344 9.715 -6.148 1.00 0.00 H new ATOM 626 N VAL A 39 -0.714 7.948 -1.628 1.00 0.00 N ATOM 627 CA VAL A 39 -1.123 7.278 -0.395 1.00 0.00 C ATOM 628 C VAL A 39 -2.200 6.231 -0.665 1.00 0.00 C ATOM 629 O VAL A 39 -2.098 5.092 -0.209 1.00 0.00 O ATOM 630 CB VAL A 39 -1.651 8.284 0.646 1.00 0.00 C ATOM 631 CG1 VAL A 39 -0.508 9.110 1.218 1.00 0.00 C ATOM 632 CG2 VAL A 39 -2.714 9.186 0.032 1.00 0.00 C ATOM 0 H VAL A 39 -0.718 8.967 -1.576 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.235 6.787 0.003 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.110 7.725 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.900 9.815 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.213 8.449 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.017 9.658 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.073 9.889 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.284 9.738 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.546 8.578 -0.324 1.00 0.00 H new ATOM 642 N GLU A 40 -3.230 6.621 -1.408 1.00 0.00 N ATOM 643 CA GLU A 40 -4.322 5.712 -1.734 1.00 0.00 C ATOM 644 C GLU A 40 -3.807 4.482 -2.476 1.00 0.00 C ATOM 645 O GLU A 40 -4.296 3.371 -2.270 1.00 0.00 O ATOM 646 CB GLU A 40 -5.374 6.432 -2.582 1.00 0.00 C ATOM 647 CG GLU A 40 -6.805 6.101 -2.185 1.00 0.00 C ATOM 648 CD GLU A 40 -7.711 5.908 -3.384 1.00 0.00 C ATOM 649 OE1 GLU A 40 -8.201 6.921 -3.927 1.00 0.00 O ATOM 650 OE2 GLU A 40 -7.931 4.745 -3.782 1.00 0.00 O ATOM 0 H GLU A 40 -3.331 7.559 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.779 5.383 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.222 7.508 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.226 6.170 -3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.810 5.194 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.200 6.903 -1.561 1.00 0.00 H new ATOM 657 N GLY A 41 -2.819 4.688 -3.340 1.00 0.00 N ATOM 658 CA GLY A 41 -2.257 3.589 -4.099 1.00 0.00 C ATOM 659 C GLY A 41 -1.600 2.545 -3.218 1.00 0.00 C ATOM 660 O GLY A 41 -1.547 1.366 -3.573 1.00 0.00 O ATOM 0 H GLY A 41 -2.398 5.598 -3.528 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.045 3.118 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.522 3.978 -4.804 1.00 0.00 H new ATOM 664 N VAL A 42 -1.095 2.977 -2.067 1.00 0.00 N ATOM 665 CA VAL A 42 -0.435 2.066 -1.137 1.00 0.00 C ATOM 666 C VAL A 42 -1.458 1.302 -0.304 1.00 0.00 C ATOM 667 O VAL A 42 -1.408 0.074 -0.218 1.00 0.00 O ATOM 668 CB VAL A 42 0.545 2.804 -0.187 1.00 0.00 C ATOM 669 CG1 VAL A 42 1.748 1.928 0.144 1.00 0.00 C ATOM 670 CG2 VAL A 42 1.000 4.129 -0.787 1.00 0.00 C ATOM 0 H VAL A 42 -1.129 3.948 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 42 0.139 1.367 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 42 0.010 3.016 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.419 2.469 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.409 1.014 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.277 1.674 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.686 4.624 -0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.507 3.945 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.133 4.768 -0.957 1.00 0.00 H new ATOM 680 N TRP A 43 -2.388 2.033 0.304 1.00 0.00 N ATOM 681 CA TRP A 43 -3.425 1.413 1.123 1.00 0.00 C ATOM 682 C TRP A 43 -4.236 0.419 0.299 1.00 0.00 C ATOM 683 O TRP A 43 -4.716 -0.588 0.818 1.00 0.00 O ATOM 684 CB TRP A 43 -4.353 2.480 1.713 1.00 0.00 C ATOM 685 CG TRP A 43 -4.043 2.816 3.143 1.00 0.00 C ATOM 686 CD1 TRP A 43 -4.582 2.224 4.249 1.00 0.00 C ATOM 687 CD2 TRP A 43 -3.130 3.817 3.631 1.00 0.00 C ATOM 688 NE1 TRP A 43 -4.071 2.789 5.389 1.00 0.00 N ATOM 689 CE2 TRP A 43 -3.180 3.769 5.039 1.00 0.00 C ATOM 690 CE3 TRP A 43 -2.278 4.750 3.024 1.00 0.00 C ATOM 691 CZ2 TRP A 43 -2.414 4.610 5.843 1.00 0.00 C ATOM 692 CZ3 TRP A 43 -1.520 5.583 3.826 1.00 0.00 C ATOM 693 CH2 TRP A 43 -1.593 5.507 5.221 1.00 0.00 C ATOM 0 H TRP A 43 -2.445 3.050 0.246 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.939 0.879 1.939 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.282 3.386 1.111 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.384 2.132 1.645 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.308 1.424 4.229 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.315 2.523 6.343 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.215 4.817 1.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.467 4.555 6.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.860 6.305 3.368 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.987 6.172 5.819 1.00 0.00 H new ATOM 704 N THR A 44 -4.384 0.711 -0.990 1.00 0.00 N ATOM 705 CA THR A 44 -5.136 -0.157 -1.890 1.00 0.00 C ATOM 706 C THR A 44 -4.360 -1.436 -2.189 1.00 0.00 C ATOM 707 O THR A 44 -4.917 -2.532 -2.149 1.00 0.00 O ATOM 708 CB THR A 44 -5.453 0.577 -3.195 1.00 0.00 C ATOM 709 OG1 THR A 44 -6.105 1.807 -2.933 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.337 -0.221 -4.129 1.00 0.00 C ATOM 0 H THR A 44 -3.993 1.542 -1.434 1.00 0.00 H new ATOM 0 HA THR A 44 -6.070 -0.427 -1.396 1.00 0.00 H new ATOM 0 HB THR A 44 -4.489 0.736 -3.679 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.513 2.549 -3.176 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.524 0.356 -5.035 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.841 -1.156 -4.390 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.284 -0.439 -3.636 1.00 0.00 H new ATOM 718 N LEU A 45 -3.072 -1.289 -2.487 1.00 0.00 N ATOM 719 CA LEU A 45 -2.223 -2.437 -2.790 1.00 0.00 C ATOM 720 C LEU A 45 -2.303 -3.490 -1.681 1.00 0.00 C ATOM 721 O LEU A 45 -2.526 -4.670 -1.956 1.00 0.00 O ATOM 722 CB LEU A 45 -0.774 -1.991 -2.998 1.00 0.00 C ATOM 723 CG LEU A 45 -0.543 -1.113 -4.230 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.651 -0.195 -4.019 1.00 0.00 C ATOM 725 CD2 LEU A 45 -0.352 -1.970 -5.472 1.00 0.00 C ATOM 0 H LEU A 45 -2.594 -0.389 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.586 -2.890 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.446 -1.445 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.144 -2.877 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.427 -0.492 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.798 0.421 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.468 0.448 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.544 -0.794 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.189 -1.326 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.512 -2.620 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.242 -2.578 -5.635 1.00 0.00 H new ATOM 736 N LYS A 46 -2.138 -3.057 -0.431 1.00 0.00 N ATOM 737 CA LYS A 46 -2.204 -3.967 0.709 1.00 0.00 C ATOM 738 C LYS A 46 -3.611 -4.543 0.854 1.00 0.00 C ATOM 739 O LYS A 46 -3.792 -5.758 0.974 1.00 0.00 O ATOM 740 CB LYS A 46 -1.800 -3.242 1.995 1.00 0.00 C ATOM 741 CG LYS A 46 -2.672 -2.040 2.321 1.00 0.00 C ATOM 742 CD LYS A 46 -2.135 -1.268 3.514 1.00 0.00 C ATOM 743 CE LYS A 46 -3.253 -0.572 4.275 1.00 0.00 C ATOM 744 NZ LYS A 46 -3.840 -1.448 5.327 1.00 0.00 N ATOM 0 H LYS A 46 -1.958 -2.084 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.507 -4.786 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.842 -3.946 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.764 -2.914 1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.724 -1.381 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.689 -2.373 2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.607 -1.949 4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.409 -0.529 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.867 0.338 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.034 -0.270 3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.876 -1.361 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.573 -2.436 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.481 -1.159 6.259 1.00 0.00 H new ATOM 758 N ASP A 47 -4.606 -3.660 0.833 1.00 0.00 N ATOM 759 CA ASP A 47 -5.999 -4.070 0.954 1.00 0.00 C ATOM 760 C ASP A 47 -6.394 -4.985 -0.199 1.00 0.00 C ATOM 761 O ASP A 47 -7.324 -5.784 -0.083 1.00 0.00 O ATOM 762 CB ASP A 47 -6.912 -2.843 0.985 1.00 0.00 C ATOM 763 CG ASP A 47 -7.202 -2.373 2.396 1.00 0.00 C ATOM 764 OD1 ASP A 47 -7.951 -3.071 3.113 1.00 0.00 O ATOM 765 OD2 ASP A 47 -6.682 -1.307 2.787 1.00 0.00 O ATOM 0 H ASP A 47 -4.471 -2.654 0.733 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.113 -4.621 1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.446 -2.033 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.851 -3.079 0.484 1.00 0.00 H new ATOM 770 N GLU A 48 -5.680 -4.861 -1.313 1.00 0.00 N ATOM 771 CA GLU A 48 -5.952 -5.671 -2.493 1.00 0.00 C ATOM 772 C GLU A 48 -5.483 -7.105 -2.285 1.00 0.00 C ATOM 773 O GLU A 48 -6.061 -8.041 -2.838 1.00 0.00 O ATOM 774 CB GLU A 48 -5.264 -5.069 -3.720 1.00 0.00 C ATOM 775 CG GLU A 48 -6.173 -4.182 -4.552 1.00 0.00 C ATOM 776 CD GLU A 48 -5.403 -3.289 -5.506 1.00 0.00 C ATOM 777 OE1 GLU A 48 -4.553 -2.508 -5.032 1.00 0.00 O ATOM 778 OE2 GLU A 48 -5.650 -3.374 -6.728 1.00 0.00 O ATOM 0 H GLU A 48 -4.907 -4.205 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.029 -5.680 -2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.402 -4.487 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.885 -5.876 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.862 -4.806 -5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.777 -3.563 -3.889 1.00 0.00 H new ATOM 785 N ILE A 49 -4.438 -7.277 -1.481 1.00 0.00 N ATOM 786 CA ILE A 49 -3.914 -8.608 -1.207 1.00 0.00 C ATOM 787 C ILE A 49 -4.828 -9.352 -0.247 1.00 0.00 C ATOM 788 O ILE A 49 -5.047 -10.554 -0.389 1.00 0.00 O ATOM 789 CB ILE A 49 -2.490 -8.577 -0.608 1.00 0.00 C ATOM 790 CG1 ILE A 49 -1.770 -7.272 -0.943 1.00 0.00 C ATOM 791 CG2 ILE A 49 -1.682 -9.762 -1.112 1.00 0.00 C ATOM 792 CD1 ILE A 49 -0.660 -6.943 0.019 1.00 0.00 C ATOM 0 H ILE A 49 -3.942 -6.519 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.868 -9.122 -2.167 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.584 -8.640 0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.360 -7.339 -1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.493 -6.456 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.681 -9.729 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.173 -10.689 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.612 -9.719 -2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.190 -6.005 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.068 -6.845 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.082 -7.741 0.005 1.00 0.00 H new ATOM 804 N LYS A 50 -5.366 -8.628 0.730 1.00 0.00 N ATOM 805 CA LYS A 50 -6.265 -9.230 1.709 1.00 0.00 C ATOM 806 C LYS A 50 -7.583 -9.632 1.058 1.00 0.00 C ATOM 807 O LYS A 50 -8.255 -10.557 1.513 1.00 0.00 O ATOM 808 CB LYS A 50 -6.527 -8.263 2.865 1.00 0.00 C ATOM 809 CG LYS A 50 -5.472 -8.321 3.958 1.00 0.00 C ATOM 810 CD LYS A 50 -4.256 -7.482 3.605 1.00 0.00 C ATOM 811 CE LYS A 50 -3.478 -7.080 4.847 1.00 0.00 C ATOM 812 NZ LYS A 50 -3.103 -8.260 5.674 1.00 0.00 N ATOM 0 H LYS A 50 -5.197 -7.631 0.865 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.783 -10.126 2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.577 -7.247 2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.501 -8.485 3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.899 -7.967 4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.168 -9.356 4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.607 -8.044 2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.573 -6.588 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.577 -6.542 4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.078 -6.394 5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.422 -7.970 6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.953 -8.649 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.672 -8.986 5.067 1.00 0.00 H new ATOM 826 N THR A 51 -7.947 -8.929 -0.012 1.00 0.00 N ATOM 827 CA THR A 51 -9.184 -9.214 -0.727 1.00 0.00 C ATOM 828 C THR A 51 -9.019 -10.426 -1.638 1.00 0.00 C ATOM 829 O THR A 51 -9.981 -11.141 -1.917 1.00 0.00 O ATOM 830 CB THR A 51 -9.612 -7.997 -1.552 1.00 0.00 C ATOM 831 OG1 THR A 51 -8.482 -7.318 -2.065 1.00 0.00 O ATOM 832 CG2 THR A 51 -10.429 -6.998 -0.762 1.00 0.00 C ATOM 0 H THR A 51 -7.402 -8.159 -0.401 1.00 0.00 H new ATOM 0 HA THR A 51 -9.957 -9.437 0.009 1.00 0.00 H new ATOM 0 HB THR A 51 -10.232 -8.395 -2.356 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.802 -7.971 -2.334 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.700 -6.160 -1.405 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.334 -7.480 -0.393 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.842 -6.634 0.081 1.00 0.00 H new ATOM 840 N PHE A 52 -7.793 -10.652 -2.102 1.00 0.00 N ATOM 841 CA PHE A 52 -7.505 -11.777 -2.985 1.00 0.00 C ATOM 842 C PHE A 52 -6.564 -12.778 -2.316 1.00 0.00 C ATOM 843 O PHE A 52 -5.876 -13.542 -2.991 1.00 0.00 O ATOM 844 CB PHE A 52 -6.888 -11.281 -4.291 1.00 0.00 C ATOM 845 CG PHE A 52 -7.435 -11.963 -5.513 1.00 0.00 C ATOM 846 CD1 PHE A 52 -8.746 -11.756 -5.908 1.00 0.00 C ATOM 847 CD2 PHE A 52 -6.636 -12.811 -6.264 1.00 0.00 C ATOM 848 CE1 PHE A 52 -9.253 -12.382 -7.032 1.00 0.00 C ATOM 849 CE2 PHE A 52 -7.138 -13.441 -7.388 1.00 0.00 C ATOM 850 CZ PHE A 52 -8.447 -13.225 -7.771 1.00 0.00 C ATOM 0 H PHE A 52 -6.984 -10.071 -1.881 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.447 -12.282 -3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.057 -10.208 -4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.809 -11.432 -4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.380 -11.098 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.611 -12.981 -5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.277 -12.212 -7.331 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.507 -14.101 -7.965 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.840 -13.716 -8.649 1.00 0.00 H new ATOM 860 N THR A 53 -6.541 -12.769 -0.987 1.00 0.00 N ATOM 861 CA THR A 53 -5.682 -13.678 -0.233 1.00 0.00 C ATOM 862 C THR A 53 -6.292 -15.074 -0.164 1.00 0.00 C ATOM 863 O THR A 53 -5.615 -16.062 -0.403 1.00 0.00 O ATOM 864 CB THR A 53 -5.449 -13.141 1.182 1.00 0.00 C ATOM 865 OG1 THR A 53 -4.572 -13.990 1.900 1.00 0.00 O ATOM 866 CG2 THR A 53 -6.721 -13.006 1.990 1.00 0.00 C ATOM 0 H THR A 53 -7.105 -12.145 -0.411 1.00 0.00 H new ATOM 0 HA THR A 53 -4.725 -13.744 -0.751 1.00 0.00 H new ATOM 0 HB THR A 53 -5.018 -12.149 1.047 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.433 -13.631 2.801 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.483 -12.621 2.981 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.400 -12.318 1.487 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.197 -13.982 2.085 1.00 0.00 H new ATOM 874 N VAL A 54 -7.578 -15.138 0.167 1.00 0.00 N ATOM 875 CA VAL A 54 -8.280 -16.405 0.269 1.00 0.00 C ATOM 876 C VAL A 54 -9.607 -16.369 -0.478 1.00 0.00 C ATOM 877 O VAL A 54 -10.155 -15.296 -0.729 1.00 0.00 O ATOM 878 CB VAL A 54 -8.537 -16.797 1.738 1.00 0.00 C ATOM 879 CG1 VAL A 54 -9.138 -18.186 1.833 1.00 0.00 C ATOM 880 CG2 VAL A 54 -7.258 -16.698 2.552 1.00 0.00 C ATOM 0 H VAL A 54 -8.154 -14.321 0.369 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.633 -17.154 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.258 -16.094 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.309 -18.438 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.085 -18.210 1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.452 -18.910 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.462 -16.979 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.508 -17.370 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.885 -15.674 2.521 1.00 0.00 H new ATOM 890 N THR A 55 -10.122 -17.542 -0.830 1.00 0.00 N ATOM 891 CA THR A 55 -11.388 -17.638 -1.546 1.00 0.00 C ATOM 892 C THR A 55 -11.297 -16.964 -2.913 1.00 0.00 C ATOM 893 O THR A 55 -12.263 -16.386 -3.399 1.00 0.00 O ATOM 894 CB THR A 55 -12.514 -17.003 -0.730 1.00 0.00 C ATOM 895 OG1 THR A 55 -12.332 -17.254 0.652 1.00 0.00 O ATOM 896 CG2 THR A 55 -13.888 -17.503 -1.111 1.00 0.00 C ATOM 0 H THR A 55 -9.681 -18.440 -0.631 1.00 0.00 H new ATOM 0 HA THR A 55 -11.608 -18.695 -1.695 1.00 0.00 H new ATOM 0 HB THR A 55 -12.463 -15.936 -0.949 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.061 -16.839 1.159 1.00 0.00 H new ATOM 0 HG21 THR A 55 -14.639 -17.011 -0.493 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.079 -17.279 -2.161 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.939 -18.581 -0.955 1.00 0.00 H new ATOM 904 N GLU A 56 -10.121 -17.059 -3.532 1.00 0.00 N ATOM 905 CA GLU A 56 -9.902 -16.457 -4.843 1.00 0.00 C ATOM 906 C GLU A 56 -10.125 -14.956 -4.801 1.00 0.00 C ATOM 907 O GLU A 56 -9.130 -14.214 -4.654 1.00 0.00 O ATOM 908 CB GLU A 56 -10.829 -17.097 -5.878 1.00 0.00 C ATOM 909 CG GLU A 56 -10.182 -18.228 -6.657 1.00 0.00 C ATOM 910 CD GLU A 56 -10.914 -18.550 -7.948 1.00 0.00 C ATOM 911 OE1 GLU A 56 -10.959 -17.666 -8.836 1.00 0.00 O ATOM 912 OE2 GLU A 56 -11.447 -19.673 -8.069 1.00 0.00 O ATOM 913 OXT GLU A 56 -11.292 -14.529 -4.917 1.00 0.00 O ATOM 0 H GLU A 56 -9.310 -17.545 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.866 -16.638 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.717 -17.477 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.163 -16.330 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.151 -17.961 -6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.148 -19.120 -6.032 1.00 0.00 H new TER 920 GLU A 56