USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 150:sc= -0.634 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.12 K(o=1.1,f=-0.24) USER MOD Single : A 22 GLN : amide:sc= -2.59 K(o=-2.6,f=-6.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.16) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.924 K(o=-0.92,f=-2.6!) USER MOD Single : A 62 SER OG : rot 92:sc= 1.09 USER MOD Single : A 67 GLN : amide:sc= 0.645 K(o=0.64,f=-1.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 48 N GLU A 4 8.360 0.371 3.881 1.00 0.00 N ATOM 49 CA GLU A 4 8.558 1.267 5.007 1.00 0.00 C ATOM 50 C GLU A 4 7.221 1.866 5.449 1.00 0.00 C ATOM 51 O GLU A 4 6.931 1.933 6.643 1.00 0.00 O ATOM 52 CB GLU A 4 9.564 2.367 4.663 1.00 0.00 C ATOM 53 CG GLU A 4 10.682 2.433 5.705 1.00 0.00 C ATOM 54 CD GLU A 4 10.402 3.523 6.742 1.00 0.00 C ATOM 55 OE1 GLU A 4 9.594 3.245 7.654 1.00 0.00 O ATOM 56 OE2 GLU A 4 11.003 4.610 6.598 1.00 0.00 O ATOM 0 HA GLU A 4 8.969 0.691 5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.991 2.179 3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.053 3.329 4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.777 1.468 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.633 2.632 5.211 1.00 0.00 H new ATOM 63 N GLU A 5 6.443 2.287 4.463 1.00 0.00 N ATOM 64 CA GLU A 5 5.144 2.878 4.735 1.00 0.00 C ATOM 65 C GLU A 5 4.183 1.820 5.281 1.00 0.00 C ATOM 66 O GLU A 5 3.410 2.093 6.199 1.00 0.00 O ATOM 67 CB GLU A 5 4.571 3.545 3.483 1.00 0.00 C ATOM 68 CG GLU A 5 3.682 2.574 2.703 1.00 0.00 C ATOM 69 CD GLU A 5 2.992 3.281 1.534 1.00 0.00 C ATOM 70 OE1 GLU A 5 3.121 4.522 1.466 1.00 0.00 O ATOM 71 OE2 GLU A 5 2.352 2.563 0.735 1.00 0.00 O ATOM 0 H GLU A 5 6.687 2.231 3.474 1.00 0.00 H new ATOM 0 HA GLU A 5 5.271 3.651 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.993 4.425 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.385 3.891 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.283 1.746 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.932 2.147 3.369 1.00 0.00 H new ATOM 78 N LEU A 6 4.262 0.635 4.694 1.00 0.00 N ATOM 79 CA LEU A 6 3.409 -0.465 5.110 1.00 0.00 C ATOM 80 C LEU A 6 3.519 -0.645 6.626 1.00 0.00 C ATOM 81 O LEU A 6 2.515 -0.859 7.304 1.00 0.00 O ATOM 82 CB LEU A 6 3.740 -1.730 4.315 1.00 0.00 C ATOM 83 CG LEU A 6 2.850 -2.012 3.103 1.00 0.00 C ATOM 84 CD1 LEU A 6 3.454 -3.108 2.223 1.00 0.00 C ATOM 85 CD2 LEU A 6 1.422 -2.347 3.538 1.00 0.00 C ATOM 0 H LEU A 6 4.904 0.413 3.933 1.00 0.00 H new ATOM 0 HA LEU A 6 2.365 -0.242 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.773 -1.661 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.683 -2.584 4.989 1.00 0.00 H new ATOM 0 HG LEU A 6 2.798 -1.106 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.802 -3.289 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.435 -2.791 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.556 -4.025 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.810 -2.543 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.434 -3.231 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.003 -1.506 4.091 1.00 0.00 H new ATOM 97 N LYS A 7 4.748 -0.552 7.113 1.00 0.00 N ATOM 98 CA LYS A 7 5.002 -0.702 8.536 1.00 0.00 C ATOM 99 C LYS A 7 4.333 0.447 9.293 1.00 0.00 C ATOM 100 O LYS A 7 3.579 0.217 10.237 1.00 0.00 O ATOM 101 CB LYS A 7 6.504 -0.821 8.802 1.00 0.00 C ATOM 102 CG LYS A 7 6.782 -1.793 9.951 1.00 0.00 C ATOM 103 CD LYS A 7 8.228 -1.672 10.434 1.00 0.00 C ATOM 104 CE LYS A 7 8.288 -1.528 11.956 1.00 0.00 C ATOM 105 NZ LYS A 7 8.234 -0.101 12.344 1.00 0.00 N ATOM 0 H LYS A 7 5.578 -0.375 6.548 1.00 0.00 H new ATOM 0 HA LYS A 7 4.561 -1.628 8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.011 -1.164 7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.913 0.160 9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.101 -1.589 10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.589 -2.814 9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.793 -2.552 10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.701 -0.809 9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.457 -2.066 12.411 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.205 -1.979 12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.276 -0.021 13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.041 0.403 11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.347 0.319 12.000 1.00 0.00 H new ATOM 119 N GLY A 8 4.633 1.659 8.850 1.00 0.00 N ATOM 120 CA GLY A 8 4.069 2.845 9.473 1.00 0.00 C ATOM 121 C GLY A 8 2.541 2.782 9.489 1.00 0.00 C ATOM 122 O GLY A 8 1.924 2.864 10.550 1.00 0.00 O ATOM 0 H GLY A 8 5.259 1.846 8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.443 2.937 10.493 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.394 3.734 8.932 1.00 0.00 H new ATOM 126 N ILE A 9 1.974 2.637 8.301 1.00 0.00 N ATOM 127 CA ILE A 9 0.529 2.563 8.165 1.00 0.00 C ATOM 128 C ILE A 9 -0.008 1.456 9.074 1.00 0.00 C ATOM 129 O ILE A 9 -0.964 1.669 9.819 1.00 0.00 O ATOM 130 CB ILE A 9 0.137 2.395 6.695 1.00 0.00 C ATOM 131 CG1 ILE A 9 0.297 3.711 5.932 1.00 0.00 C ATOM 132 CG2 ILE A 9 -1.277 1.826 6.566 1.00 0.00 C ATOM 133 CD1 ILE A 9 -0.233 3.584 4.502 1.00 0.00 C ATOM 0 H ILE A 9 2.489 2.569 7.423 1.00 0.00 H new ATOM 0 HA ILE A 9 0.068 3.496 8.490 1.00 0.00 H new ATOM 0 HB ILE A 9 0.816 1.674 6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.238 4.505 6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.349 3.997 5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.530 1.717 5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.323 0.852 7.053 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.987 2.503 7.041 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.107 4.534 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.321 2.806 3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.291 3.322 4.528 1.00 0.00 H new ATOM 145 N PHE A 10 0.630 0.298 8.984 1.00 0.00 N ATOM 146 CA PHE A 10 0.228 -0.842 9.790 1.00 0.00 C ATOM 147 C PHE A 10 0.121 -0.459 11.267 1.00 0.00 C ATOM 148 O PHE A 10 -0.919 -0.664 11.892 1.00 0.00 O ATOM 149 CB PHE A 10 1.314 -1.908 9.629 1.00 0.00 C ATOM 150 CG PHE A 10 1.367 -2.920 10.776 1.00 0.00 C ATOM 151 CD1 PHE A 10 2.090 -2.642 11.895 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.693 -4.096 10.677 1.00 0.00 C ATOM 153 CE1 PHE A 10 2.140 -3.581 12.959 1.00 0.00 C ATOM 154 CE2 PHE A 10 0.743 -5.035 11.742 1.00 0.00 C ATOM 155 CZ PHE A 10 1.465 -4.757 12.860 1.00 0.00 C ATOM 0 H PHE A 10 1.422 0.125 8.365 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.748 -1.202 9.465 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.148 -2.443 8.694 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.283 -1.416 9.547 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.626 -1.707 11.974 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.119 -4.317 9.789 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.714 -3.361 13.847 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.208 -5.970 11.664 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.502 -5.471 13.670 1.00 0.00 H new ATOM 165 N GLU A 11 1.210 0.090 11.784 1.00 0.00 N ATOM 166 CA GLU A 11 1.252 0.504 13.176 1.00 0.00 C ATOM 167 C GLU A 11 0.202 1.585 13.440 1.00 0.00 C ATOM 168 O GLU A 11 -0.423 1.604 14.499 1.00 0.00 O ATOM 169 CB GLU A 11 2.650 0.990 13.562 1.00 0.00 C ATOM 170 CG GLU A 11 3.217 0.167 14.720 1.00 0.00 C ATOM 171 CD GLU A 11 3.830 1.073 15.790 1.00 0.00 C ATOM 172 OE1 GLU A 11 4.855 1.713 15.471 1.00 0.00 O ATOM 173 OE2 GLU A 11 3.259 1.105 16.901 1.00 0.00 O ATOM 0 H GLU A 11 2.071 0.258 11.263 1.00 0.00 H new ATOM 0 HA GLU A 11 1.020 -0.360 13.799 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.314 0.918 12.701 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.608 2.042 13.845 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.426 -0.439 15.162 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.974 -0.522 14.345 1.00 0.00 H new ATOM 180 N LYS A 12 0.041 2.461 12.459 1.00 0.00 N ATOM 181 CA LYS A 12 -0.921 3.543 12.572 1.00 0.00 C ATOM 182 C LYS A 12 -2.318 2.957 12.785 1.00 0.00 C ATOM 183 O LYS A 12 -3.183 3.604 13.374 1.00 0.00 O ATOM 184 CB LYS A 12 -0.824 4.475 11.362 1.00 0.00 C ATOM 185 CG LYS A 12 -1.349 5.872 11.702 1.00 0.00 C ATOM 186 CD LYS A 12 -1.918 6.561 10.461 1.00 0.00 C ATOM 187 CE LYS A 12 -1.655 8.067 10.500 1.00 0.00 C ATOM 188 NZ LYS A 12 -2.373 8.748 9.400 1.00 0.00 N ATOM 0 H LYS A 12 0.561 2.443 11.582 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.698 4.162 13.441 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.213 4.543 11.033 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.396 4.060 10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.122 5.798 12.467 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.543 6.475 12.120 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.468 6.133 9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.991 6.377 10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.977 8.473 11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.585 8.257 10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.183 9.770 9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.046 8.372 8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.395 8.582 9.497 1.00 0.00 H new ATOM 202 N TYR A 13 -2.495 1.739 12.295 1.00 0.00 N ATOM 203 CA TYR A 13 -3.773 1.058 12.425 1.00 0.00 C ATOM 204 C TYR A 13 -3.778 0.129 13.640 1.00 0.00 C ATOM 205 O TYR A 13 -4.763 0.067 14.375 1.00 0.00 O ATOM 206 CB TYR A 13 -3.934 0.219 11.156 1.00 0.00 C ATOM 207 CG TYR A 13 -4.639 0.951 10.012 1.00 0.00 C ATOM 208 CD1 TYR A 13 -5.980 1.262 10.114 1.00 0.00 C ATOM 209 CD2 TYR A 13 -3.934 1.300 8.878 1.00 0.00 C ATOM 210 CE1 TYR A 13 -6.643 1.951 9.037 1.00 0.00 C ATOM 211 CE2 TYR A 13 -4.597 1.988 7.801 1.00 0.00 C ATOM 212 CZ TYR A 13 -5.919 2.280 7.933 1.00 0.00 C ATOM 213 OH TYR A 13 -6.545 2.930 6.916 1.00 0.00 O ATOM 0 H TYR A 13 -1.775 1.206 11.807 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.580 1.778 12.556 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.949 -0.101 10.817 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.496 -0.683 11.398 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.532 0.989 11.001 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.885 1.057 8.798 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.692 2.201 9.104 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.057 2.266 6.908 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.902 3.505 6.451 1.00 0.00 H new ATOM 223 N ALA A 14 -2.666 -0.570 13.815 1.00 0.00 N ATOM 224 CA ALA A 14 -2.530 -1.493 14.929 1.00 0.00 C ATOM 225 C ALA A 14 -2.526 -0.706 16.241 1.00 0.00 C ATOM 226 O ALA A 14 -2.870 -1.243 17.292 1.00 0.00 O ATOM 227 CB ALA A 14 -1.262 -2.330 14.747 1.00 0.00 C ATOM 0 H ALA A 14 -1.851 -0.516 13.204 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.374 -2.182 14.961 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.160 -3.022 15.583 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.328 -2.893 13.816 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.394 -1.672 14.713 1.00 0.00 H new ATOM 233 N ALA A 15 -2.133 0.555 16.136 1.00 0.00 N ATOM 234 CA ALA A 15 -2.079 1.422 17.301 1.00 0.00 C ATOM 235 C ALA A 15 -3.475 1.983 17.577 1.00 0.00 C ATOM 236 O ALA A 15 -3.769 2.402 18.696 1.00 0.00 O ATOM 237 CB ALA A 15 -1.043 2.523 17.070 1.00 0.00 C ATOM 0 H ALA A 15 -1.849 0.997 15.262 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.768 0.862 18.183 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.002 3.173 17.944 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.064 2.073 16.907 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.323 3.109 16.194 1.00 0.00 H new ATOM 243 N LYS A 16 -4.299 1.974 16.539 1.00 0.00 N ATOM 244 CA LYS A 16 -5.657 2.477 16.657 1.00 0.00 C ATOM 245 C LYS A 16 -6.362 1.765 17.813 1.00 0.00 C ATOM 246 O LYS A 16 -6.701 2.389 18.817 1.00 0.00 O ATOM 247 CB LYS A 16 -6.391 2.355 15.320 1.00 0.00 C ATOM 248 CG LYS A 16 -7.010 3.693 14.911 1.00 0.00 C ATOM 249 CD LYS A 16 -8.010 3.507 13.768 1.00 0.00 C ATOM 250 CE LYS A 16 -9.136 4.540 13.851 1.00 0.00 C ATOM 251 NZ LYS A 16 -9.122 5.418 12.659 1.00 0.00 N ATOM 0 H LYS A 16 -4.052 1.626 15.612 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.650 3.541 16.895 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.697 2.020 14.549 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.171 1.598 15.397 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.511 4.143 15.768 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.224 4.383 14.603 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.496 3.600 12.811 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.430 2.502 13.807 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.098 4.033 13.925 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.021 5.140 14.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.892 6.113 12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.210 5.916 12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.254 4.843 11.803 1.00 0.00 H new ATOM 265 N GLU A 17 -6.562 0.467 17.632 1.00 0.00 N ATOM 266 CA GLU A 17 -7.221 -0.337 18.648 1.00 0.00 C ATOM 267 C GLU A 17 -6.245 -1.363 19.228 1.00 0.00 C ATOM 268 O GLU A 17 -5.588 -2.089 18.484 1.00 0.00 O ATOM 269 CB GLU A 17 -8.466 -1.023 18.082 1.00 0.00 C ATOM 270 CG GLU A 17 -9.647 -0.053 18.023 1.00 0.00 C ATOM 271 CD GLU A 17 -10.898 -0.674 18.647 1.00 0.00 C ATOM 272 OE1 GLU A 17 -11.066 -1.902 18.481 1.00 0.00 O ATOM 273 OE2 GLU A 17 -11.659 0.092 19.277 1.00 0.00 O ATOM 0 H GLU A 17 -6.279 -0.047 16.798 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.545 0.323 19.453 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.253 -1.404 17.083 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.726 -1.881 18.702 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.393 0.867 18.549 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.849 0.217 16.986 1.00 0.00 H new ATOM 280 N GLY A 18 -6.182 -1.390 20.551 1.00 0.00 N ATOM 281 CA GLY A 18 -5.297 -2.315 21.239 1.00 0.00 C ATOM 282 C GLY A 18 -3.834 -2.039 20.887 1.00 0.00 C ATOM 283 O GLY A 18 -3.538 -1.124 20.119 1.00 0.00 O ATOM 0 H GLY A 18 -6.729 -0.786 21.165 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.439 -2.226 22.316 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.553 -3.339 20.967 1.00 0.00 H new ATOM 287 N ASP A 19 -2.957 -2.846 21.467 1.00 0.00 N ATOM 288 CA ASP A 19 -1.532 -2.700 21.224 1.00 0.00 C ATOM 289 C ASP A 19 -1.259 -2.824 19.724 1.00 0.00 C ATOM 290 O ASP A 19 -1.824 -3.688 19.056 1.00 0.00 O ATOM 291 CB ASP A 19 -0.737 -3.792 21.941 1.00 0.00 C ATOM 292 CG ASP A 19 0.670 -3.384 22.384 1.00 0.00 C ATOM 293 OD1 ASP A 19 1.543 -3.299 21.493 1.00 0.00 O ATOM 294 OD2 ASP A 19 0.840 -3.165 23.603 1.00 0.00 O ATOM 0 H ASP A 19 -3.206 -3.603 22.104 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.224 -1.724 21.599 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.299 -4.113 22.818 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.657 -4.655 21.280 1.00 0.00 H new ATOM 299 N PRO A 20 -0.370 -1.924 19.225 1.00 0.00 N ATOM 300 CA PRO A 20 -0.015 -1.924 17.816 1.00 0.00 C ATOM 301 C PRO A 20 0.925 -3.086 17.488 1.00 0.00 C ATOM 302 O PRO A 20 1.341 -3.248 16.342 1.00 0.00 O ATOM 303 CB PRO A 20 0.615 -0.563 17.569 1.00 0.00 C ATOM 304 CG PRO A 20 1.012 -0.032 18.937 1.00 0.00 C ATOM 305 CD PRO A 20 0.319 -0.885 19.987 1.00 0.00 C ATOM 0 HA PRO A 20 -0.876 -2.073 17.165 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.484 -0.648 16.916 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.088 0.110 17.078 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.094 -0.075 19.064 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.720 1.013 19.040 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.037 -1.316 20.684 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.383 -0.295 20.576 1.00 0.00 H new ATOM 313 N ASN A 21 1.231 -3.866 18.514 1.00 0.00 N ATOM 314 CA ASN A 21 2.114 -5.008 18.349 1.00 0.00 C ATOM 315 C ASN A 21 1.282 -6.241 17.990 1.00 0.00 C ATOM 316 O ASN A 21 1.827 -7.328 17.801 1.00 0.00 O ATOM 317 CB ASN A 21 2.872 -5.310 19.643 1.00 0.00 C ATOM 318 CG ASN A 21 4.119 -4.432 19.765 1.00 0.00 C ATOM 319 OD1 ASN A 21 5.224 -4.828 19.434 1.00 0.00 O ATOM 320 ND2 ASN A 21 3.881 -3.220 20.259 1.00 0.00 N ATOM 0 H ASN A 21 0.883 -3.730 19.463 1.00 0.00 H new ATOM 0 HA ASN A 21 2.828 -4.772 17.560 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.219 -5.141 20.499 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.159 -6.361 19.664 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.648 -2.559 20.380 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.931 -2.952 20.516 1.00 0.00 H new ATOM 327 N GLN A 22 -0.023 -6.032 17.906 1.00 0.00 N ATOM 328 CA GLN A 22 -0.935 -7.113 17.573 1.00 0.00 C ATOM 329 C GLN A 22 -2.141 -6.572 16.802 1.00 0.00 C ATOM 330 O GLN A 22 -2.810 -5.647 17.259 1.00 0.00 O ATOM 331 CB GLN A 22 -1.379 -7.863 18.830 1.00 0.00 C ATOM 332 CG GLN A 22 -1.474 -6.916 20.029 1.00 0.00 C ATOM 333 CD GLN A 22 -0.275 -7.094 20.963 1.00 0.00 C ATOM 334 OE1 GLN A 22 0.845 -7.325 20.541 1.00 0.00 O ATOM 335 NE2 GLN A 22 -0.574 -6.972 22.254 1.00 0.00 N ATOM 0 H GLN A 22 -0.471 -5.129 18.063 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.409 -7.822 16.934 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -2.347 -8.332 18.655 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.672 -8.663 19.049 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.518 -5.884 19.680 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.397 -7.107 20.576 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.534 -6.778 22.539 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.157 -7.073 22.958 1.00 0.00 H new ATOM 344 N LEU A 23 -2.381 -7.173 15.646 1.00 0.00 N ATOM 345 CA LEU A 23 -3.495 -6.762 14.807 1.00 0.00 C ATOM 346 C LEU A 23 -4.751 -7.531 15.224 1.00 0.00 C ATOM 347 O LEU A 23 -4.660 -8.577 15.863 1.00 0.00 O ATOM 348 CB LEU A 23 -3.139 -6.922 13.328 1.00 0.00 C ATOM 349 CG LEU A 23 -2.305 -5.795 12.714 1.00 0.00 C ATOM 350 CD1 LEU A 23 -3.196 -4.634 12.268 1.00 0.00 C ATOM 351 CD2 LEU A 23 -1.207 -5.339 13.676 1.00 0.00 C ATOM 0 H LEU A 23 -1.824 -7.941 15.270 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.707 -5.702 14.947 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.595 -7.859 13.205 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.065 -7.014 12.760 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.811 -6.182 11.823 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.578 -3.847 11.835 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.908 -4.988 11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.737 -4.239 13.128 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.629 -4.538 13.215 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.659 -4.976 14.599 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.549 -6.178 13.901 1.00 0.00 H new ATOM 363 N SER A 24 -5.895 -6.981 14.844 1.00 0.00 N ATOM 364 CA SER A 24 -7.168 -7.601 15.169 1.00 0.00 C ATOM 365 C SER A 24 -8.110 -7.526 13.966 1.00 0.00 C ATOM 366 O SER A 24 -7.820 -6.838 12.989 1.00 0.00 O ATOM 367 CB SER A 24 -7.810 -6.935 16.388 1.00 0.00 C ATOM 368 OG SER A 24 -7.018 -7.095 17.562 1.00 0.00 O ATOM 0 H SER A 24 -5.967 -6.113 14.314 1.00 0.00 H new ATOM 0 HA SER A 24 -6.985 -8.647 15.414 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.952 -5.873 16.188 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.798 -7.363 16.556 1.00 0.00 H new ATOM 0 HG SER A 24 -7.460 -6.655 18.318 1.00 0.00 H new ATOM 374 N LYS A 25 -9.219 -8.243 14.077 1.00 0.00 N ATOM 375 CA LYS A 25 -10.205 -8.266 13.010 1.00 0.00 C ATOM 376 C LYS A 25 -10.678 -6.839 12.728 1.00 0.00 C ATOM 377 O LYS A 25 -10.576 -6.359 11.600 1.00 0.00 O ATOM 378 CB LYS A 25 -11.340 -9.234 13.351 1.00 0.00 C ATOM 379 CG LYS A 25 -12.230 -9.485 12.132 1.00 0.00 C ATOM 380 CD LYS A 25 -13.693 -9.655 12.547 1.00 0.00 C ATOM 381 CE LYS A 25 -13.898 -10.965 13.311 1.00 0.00 C ATOM 382 NZ LYS A 25 -14.332 -10.693 14.699 1.00 0.00 N ATOM 0 H LYS A 25 -9.456 -8.812 14.889 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.761 -8.643 12.089 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.924 -10.178 13.703 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.939 -8.826 14.165 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.141 -8.652 11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.891 -10.378 11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.998 -8.815 13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.329 -9.643 11.662 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.645 -11.576 12.803 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.970 -11.537 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.466 -11.593 15.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.606 -10.129 15.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.229 -10.166 14.685 1.00 0.00 H new ATOM 396 N GLU A 26 -11.185 -6.200 13.772 1.00 0.00 N ATOM 397 CA GLU A 26 -11.674 -4.837 13.651 1.00 0.00 C ATOM 398 C GLU A 26 -10.561 -3.918 13.143 1.00 0.00 C ATOM 399 O GLU A 26 -10.783 -3.106 12.246 1.00 0.00 O ATOM 400 CB GLU A 26 -12.235 -4.335 14.983 1.00 0.00 C ATOM 401 CG GLU A 26 -13.628 -3.730 14.798 1.00 0.00 C ATOM 402 CD GLU A 26 -13.568 -2.201 14.813 1.00 0.00 C ATOM 403 OE1 GLU A 26 -13.438 -1.649 15.926 1.00 0.00 O ATOM 404 OE2 GLU A 26 -13.653 -1.619 13.710 1.00 0.00 O ATOM 0 H GLU A 26 -11.268 -6.601 14.706 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.487 -4.826 12.926 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.284 -5.159 15.695 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.563 -3.588 15.406 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.054 -4.072 13.855 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.289 -4.079 15.592 1.00 0.00 H new ATOM 411 N GLU A 27 -9.388 -4.076 13.738 1.00 0.00 N ATOM 412 CA GLU A 27 -8.241 -3.270 13.357 1.00 0.00 C ATOM 413 C GLU A 27 -7.906 -3.488 11.881 1.00 0.00 C ATOM 414 O GLU A 27 -7.889 -2.540 11.097 1.00 0.00 O ATOM 415 CB GLU A 27 -7.034 -3.579 14.245 1.00 0.00 C ATOM 416 CG GLU A 27 -6.981 -2.634 15.447 1.00 0.00 C ATOM 417 CD GLU A 27 -5.542 -2.444 15.932 1.00 0.00 C ATOM 418 OE1 GLU A 27 -4.813 -3.458 15.955 1.00 0.00 O ATOM 419 OE2 GLU A 27 -5.205 -1.288 16.268 1.00 0.00 O ATOM 0 H GLU A 27 -9.207 -4.751 14.481 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.496 -2.220 13.500 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.088 -4.611 14.591 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.117 -3.485 13.664 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.407 -1.669 15.174 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.591 -3.035 16.256 1.00 0.00 H new ATOM 426 N LEU A 28 -7.646 -4.744 11.545 1.00 0.00 N ATOM 427 CA LEU A 28 -7.312 -5.099 10.177 1.00 0.00 C ATOM 428 C LEU A 28 -8.419 -4.607 9.242 1.00 0.00 C ATOM 429 O LEU A 28 -8.138 -4.035 8.189 1.00 0.00 O ATOM 430 CB LEU A 28 -7.035 -6.599 10.065 1.00 0.00 C ATOM 431 CG LEU A 28 -6.025 -7.017 8.994 1.00 0.00 C ATOM 432 CD1 LEU A 28 -4.893 -5.994 8.879 1.00 0.00 C ATOM 433 CD2 LEU A 28 -5.496 -8.428 9.259 1.00 0.00 C ATOM 0 H LEU A 28 -7.660 -5.528 12.198 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.391 -4.604 9.870 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.678 -6.955 11.031 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.978 -7.108 9.866 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.538 -7.041 8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.189 -6.315 8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.307 -5.022 8.609 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.376 -5.915 9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.780 -8.700 8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.005 -8.456 10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.326 -9.135 9.251 1.00 0.00 H new ATOM 445 N LYS A 29 -9.653 -4.846 9.660 1.00 0.00 N ATOM 446 CA LYS A 29 -10.803 -4.434 8.874 1.00 0.00 C ATOM 447 C LYS A 29 -10.534 -3.055 8.269 1.00 0.00 C ATOM 448 O LYS A 29 -10.594 -2.884 7.052 1.00 0.00 O ATOM 449 CB LYS A 29 -12.079 -4.498 9.716 1.00 0.00 C ATOM 450 CG LYS A 29 -13.306 -4.128 8.881 1.00 0.00 C ATOM 451 CD LYS A 29 -14.556 -4.845 9.395 1.00 0.00 C ATOM 452 CE LYS A 29 -15.764 -4.546 8.505 1.00 0.00 C ATOM 453 NZ LYS A 29 -15.670 -5.298 7.233 1.00 0.00 N ATOM 0 H LYS A 29 -9.882 -5.320 10.534 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.962 -5.122 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.201 -5.502 10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.994 -3.819 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.461 -3.050 8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.134 -4.393 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.377 -5.920 9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.766 -4.530 10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.683 -4.815 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.816 -3.477 8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.856 -4.656 6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.716 -5.701 7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.372 -6.065 7.231 1.00 0.00 H new ATOM 467 N LEU A 30 -10.243 -2.106 9.146 1.00 0.00 N ATOM 468 CA LEU A 30 -9.965 -0.747 8.713 1.00 0.00 C ATOM 469 C LEU A 30 -8.858 -0.769 7.658 1.00 0.00 C ATOM 470 O LEU A 30 -9.053 -0.298 6.539 1.00 0.00 O ATOM 471 CB LEU A 30 -9.650 0.145 9.917 1.00 0.00 C ATOM 472 CG LEU A 30 -10.724 0.206 11.005 1.00 0.00 C ATOM 473 CD1 LEU A 30 -10.558 1.458 11.868 1.00 0.00 C ATOM 474 CD2 LEU A 30 -12.126 0.110 10.398 1.00 0.00 C ATOM 0 H LEU A 30 -10.194 -2.251 10.154 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.845 -0.309 8.243 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.722 -0.204 10.370 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.468 1.157 9.556 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.597 -0.656 11.660 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.334 1.478 12.634 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.578 1.444 12.345 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.644 2.346 11.242 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.871 0.156 11.193 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.281 0.939 9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.226 -0.833 9.861 1.00 0.00 H new ATOM 486 N LEU A 31 -7.719 -1.320 8.052 1.00 0.00 N ATOM 487 CA LEU A 31 -6.580 -1.410 7.154 1.00 0.00 C ATOM 488 C LEU A 31 -7.036 -1.996 5.816 1.00 0.00 C ATOM 489 O LEU A 31 -6.978 -1.324 4.788 1.00 0.00 O ATOM 490 CB LEU A 31 -5.440 -2.190 7.811 1.00 0.00 C ATOM 491 CG LEU A 31 -4.033 -1.887 7.291 1.00 0.00 C ATOM 492 CD1 LEU A 31 -3.075 -1.588 8.446 1.00 0.00 C ATOM 493 CD2 LEU A 31 -3.522 -3.020 6.400 1.00 0.00 C ATOM 0 H LEU A 31 -7.561 -1.709 8.982 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.178 -0.418 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.460 -1.991 8.883 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.633 -3.255 7.681 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.082 -0.990 6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.082 -1.376 8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.435 -0.723 9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.024 -2.451 9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.520 -2.779 6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.491 -3.947 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.190 -3.142 5.548 1.00 0.00 H new ATOM 505 N LEU A 32 -7.480 -3.243 5.874 1.00 0.00 N ATOM 506 CA LEU A 32 -7.946 -3.927 4.679 1.00 0.00 C ATOM 507 C LEU A 32 -8.907 -3.014 3.916 1.00 0.00 C ATOM 508 O LEU A 32 -9.092 -3.171 2.710 1.00 0.00 O ATOM 509 CB LEU A 32 -8.547 -5.287 5.041 1.00 0.00 C ATOM 510 CG LEU A 32 -7.650 -6.221 5.856 1.00 0.00 C ATOM 511 CD1 LEU A 32 -8.472 -7.322 6.527 1.00 0.00 C ATOM 512 CD2 LEU A 32 -6.524 -6.792 4.992 1.00 0.00 C ATOM 0 H LEU A 32 -7.527 -3.797 6.729 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.111 -4.140 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.466 -5.118 5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.825 -5.796 4.118 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.182 -5.639 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.811 -7.972 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.206 -6.872 7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.986 -7.908 5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.901 -7.452 5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.952 -7.355 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.916 -5.976 4.602 1.00 0.00 H new ATOM 524 N GLN A 33 -9.493 -2.079 4.649 1.00 0.00 N ATOM 525 CA GLN A 33 -10.431 -1.140 4.056 1.00 0.00 C ATOM 526 C GLN A 33 -9.694 -0.162 3.139 1.00 0.00 C ATOM 527 O GLN A 33 -9.920 -0.150 1.930 1.00 0.00 O ATOM 528 CB GLN A 33 -11.216 -0.393 5.136 1.00 0.00 C ATOM 529 CG GLN A 33 -12.700 -0.308 4.775 1.00 0.00 C ATOM 530 CD GLN A 33 -13.472 0.506 5.815 1.00 0.00 C ATOM 531 OE1 GLN A 33 -13.616 1.713 5.714 1.00 0.00 O ATOM 532 NE2 GLN A 33 -13.959 -0.220 6.817 1.00 0.00 N ATOM 0 H GLN A 33 -9.337 -1.951 5.649 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.147 -1.702 3.456 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.099 -0.902 6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.809 0.611 5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.813 0.150 3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.120 -1.312 4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -13.802 -1.228 6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.490 0.231 7.562 1.00 0.00 H new ATOM 541 N THR A 34 -8.827 0.633 3.748 1.00 0.00 N ATOM 542 CA THR A 34 -8.056 1.612 3.001 1.00 0.00 C ATOM 543 C THR A 34 -6.868 0.940 2.310 1.00 0.00 C ATOM 544 O THR A 34 -6.659 1.122 1.111 1.00 0.00 O ATOM 545 CB THR A 34 -7.646 2.726 3.966 1.00 0.00 C ATOM 546 OG1 THR A 34 -8.535 3.797 3.657 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.259 3.292 3.652 1.00 0.00 C ATOM 0 H THR A 34 -8.641 0.619 4.751 1.00 0.00 H new ATOM 0 HA THR A 34 -8.649 2.056 2.201 1.00 0.00 H new ATOM 0 HB THR A 34 -7.660 2.345 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.340 4.562 4.238 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.017 4.079 4.366 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.517 2.497 3.723 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.254 3.704 2.643 1.00 0.00 H new ATOM 555 N GLU A 35 -6.122 0.176 3.095 1.00 0.00 N ATOM 556 CA GLU A 35 -4.960 -0.524 2.573 1.00 0.00 C ATOM 557 C GLU A 35 -5.311 -1.228 1.260 1.00 0.00 C ATOM 558 O GLU A 35 -4.733 -0.928 0.217 1.00 0.00 O ATOM 559 CB GLU A 35 -4.412 -1.518 3.599 1.00 0.00 C ATOM 560 CG GLU A 35 -3.250 -2.324 3.015 1.00 0.00 C ATOM 561 CD GLU A 35 -1.909 -1.821 3.554 1.00 0.00 C ATOM 562 OE1 GLU A 35 -1.684 -0.595 3.462 1.00 0.00 O ATOM 563 OE2 GLU A 35 -1.140 -2.675 4.045 1.00 0.00 O ATOM 0 H GLU A 35 -6.300 0.026 4.088 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.178 0.208 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.077 -0.982 4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.206 -2.195 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.373 -3.378 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.260 -2.249 1.928 1.00 0.00 H new ATOM 570 N PHE A 36 -6.256 -2.152 1.355 1.00 0.00 N ATOM 571 CA PHE A 36 -6.690 -2.901 0.189 1.00 0.00 C ATOM 572 C PHE A 36 -8.148 -3.345 0.333 1.00 0.00 C ATOM 573 O PHE A 36 -8.422 -4.433 0.837 1.00 0.00 O ATOM 574 CB PHE A 36 -5.799 -4.141 0.096 1.00 0.00 C ATOM 575 CG PHE A 36 -4.415 -3.869 -0.496 1.00 0.00 C ATOM 576 CD1 PHE A 36 -4.287 -3.562 -1.815 1.00 0.00 C ATOM 577 CD2 PHE A 36 -3.311 -3.935 0.297 1.00 0.00 C ATOM 578 CE1 PHE A 36 -3.002 -3.310 -2.364 1.00 0.00 C ATOM 579 CE2 PHE A 36 -2.026 -3.683 -0.253 1.00 0.00 C ATOM 580 CZ PHE A 36 -1.899 -3.376 -1.571 1.00 0.00 C ATOM 0 H PHE A 36 -6.733 -2.399 2.222 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.614 -2.278 -0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.680 -4.566 1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.302 -4.893 -0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.163 -3.510 -2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.412 -4.179 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.900 -3.066 -3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.150 -3.735 0.376 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.922 -3.184 -1.989 1.00 0.00 H new ATOM 590 N PRO A 37 -9.067 -2.457 -0.130 1.00 0.00 N ATOM 591 CA PRO A 37 -10.490 -2.746 -0.057 1.00 0.00 C ATOM 592 C PRO A 37 -10.895 -3.772 -1.117 1.00 0.00 C ATOM 593 O PRO A 37 -11.973 -4.359 -1.037 1.00 0.00 O ATOM 594 CB PRO A 37 -11.174 -1.401 -0.239 1.00 0.00 C ATOM 595 CG PRO A 37 -10.136 -0.486 -0.868 1.00 0.00 C ATOM 596 CD PRO A 37 -8.779 -1.159 -0.733 1.00 0.00 C ATOM 0 HA PRO A 37 -10.780 -3.200 0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.052 -1.493 -0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.516 -1.004 0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.371 -0.307 -1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.132 0.485 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.295 -1.272 -1.703 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.107 -0.572 -0.107 1.00 0.00 H new ATOM 604 N SER A 38 -10.010 -3.956 -2.086 1.00 0.00 N ATOM 605 CA SER A 38 -10.263 -4.901 -3.160 1.00 0.00 C ATOM 606 C SER A 38 -10.129 -6.334 -2.640 1.00 0.00 C ATOM 607 O SER A 38 -10.800 -7.241 -3.130 1.00 0.00 O ATOM 608 CB SER A 38 -9.307 -4.671 -4.332 1.00 0.00 C ATOM 609 OG SER A 38 -9.988 -4.205 -5.494 1.00 0.00 O ATOM 0 H SER A 38 -9.117 -3.467 -2.150 1.00 0.00 H new ATOM 0 HA SER A 38 -11.280 -4.745 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.547 -3.946 -4.042 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.788 -5.601 -4.564 1.00 0.00 H new ATOM 0 HG SER A 38 -9.343 -4.069 -6.219 1.00 0.00 H new ATOM 615 N LEU A 39 -9.259 -6.492 -1.653 1.00 0.00 N ATOM 616 CA LEU A 39 -9.030 -7.799 -1.061 1.00 0.00 C ATOM 617 C LEU A 39 -10.288 -8.243 -0.312 1.00 0.00 C ATOM 618 O LEU A 39 -10.512 -9.437 -0.121 1.00 0.00 O ATOM 619 CB LEU A 39 -7.771 -7.779 -0.191 1.00 0.00 C ATOM 620 CG LEU A 39 -6.700 -8.815 -0.537 1.00 0.00 C ATOM 621 CD1 LEU A 39 -5.467 -8.647 0.352 1.00 0.00 C ATOM 622 CD2 LEU A 39 -7.268 -10.234 -0.468 1.00 0.00 C ATOM 0 H LEU A 39 -8.705 -5.737 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.842 -8.541 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.324 -6.787 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.069 -7.926 0.847 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.380 -8.646 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.721 -9.396 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.048 -7.651 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.751 -8.774 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.486 -10.951 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.632 -10.431 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.090 -10.332 -1.177 1.00 0.00 H new ATOM 634 N LEU A 40 -11.076 -7.258 0.093 1.00 0.00 N ATOM 635 CA LEU A 40 -12.305 -7.532 0.817 1.00 0.00 C ATOM 636 C LEU A 40 -13.362 -8.051 -0.160 1.00 0.00 C ATOM 637 O LEU A 40 -14.261 -8.795 0.230 1.00 0.00 O ATOM 638 CB LEU A 40 -12.749 -6.298 1.605 1.00 0.00 C ATOM 639 CG LEU A 40 -11.833 -5.870 2.754 1.00 0.00 C ATOM 640 CD1 LEU A 40 -12.087 -4.413 3.143 1.00 0.00 C ATOM 641 CD2 LEU A 40 -11.974 -6.815 3.948 1.00 0.00 C ATOM 0 H LEU A 40 -10.887 -6.269 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.144 -8.314 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.843 -5.463 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.743 -6.489 2.011 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.800 -5.936 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.423 -4.134 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.896 -3.769 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.123 -4.296 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.313 -6.489 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.005 -6.804 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.705 -7.827 3.645 1.00 0.00 H new ATOM 653 N LYS A 41 -13.220 -7.637 -1.411 1.00 0.00 N ATOM 654 CA LYS A 41 -14.151 -8.051 -2.446 1.00 0.00 C ATOM 655 C LYS A 41 -13.917 -9.526 -2.777 1.00 0.00 C ATOM 656 O LYS A 41 -14.859 -10.253 -3.090 1.00 0.00 O ATOM 657 CB LYS A 41 -14.049 -7.125 -3.660 1.00 0.00 C ATOM 658 CG LYS A 41 -14.491 -5.704 -3.305 1.00 0.00 C ATOM 659 CD LYS A 41 -15.268 -5.067 -4.459 1.00 0.00 C ATOM 660 CE LYS A 41 -16.580 -4.455 -3.965 1.00 0.00 C ATOM 661 NZ LYS A 41 -17.592 -4.457 -5.046 1.00 0.00 N ATOM 0 H LYS A 41 -12.474 -7.019 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.178 -7.963 -2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.022 -7.110 -4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.669 -7.511 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.114 -5.726 -2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.618 -5.096 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.658 -4.297 -4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.477 -5.819 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.952 -5.019 -3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.406 -3.435 -3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.477 -4.038 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.241 -3.900 -5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.770 -5.435 -5.353 1.00 0.00 H new ATOM 675 N GLY A 42 -12.656 -9.925 -2.696 1.00 0.00 N ATOM 676 CA GLY A 42 -12.287 -11.301 -2.982 1.00 0.00 C ATOM 677 C GLY A 42 -13.279 -12.278 -2.349 1.00 0.00 C ATOM 678 O GLY A 42 -14.120 -11.881 -1.544 1.00 0.00 O ATOM 0 H GLY A 42 -11.877 -9.320 -2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.256 -11.456 -4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.284 -11.499 -2.603 1.00 0.00 H new ATOM 682 N MET A 43 -13.149 -13.538 -2.737 1.00 0.00 N ATOM 683 CA MET A 43 -14.023 -14.576 -2.218 1.00 0.00 C ATOM 684 C MET A 43 -13.727 -14.855 -0.743 1.00 0.00 C ATOM 685 O MET A 43 -14.429 -15.636 -0.102 1.00 0.00 O ATOM 686 CB MET A 43 -13.832 -15.859 -3.029 1.00 0.00 C ATOM 687 CG MET A 43 -14.144 -15.624 -4.508 1.00 0.00 C ATOM 688 SD MET A 43 -15.907 -15.696 -4.779 1.00 0.00 S ATOM 689 CE MET A 43 -15.952 -15.588 -6.560 1.00 0.00 C ATOM 0 H MET A 43 -12.451 -13.864 -3.405 1.00 0.00 H new ATOM 0 HA MET A 43 -15.054 -14.232 -2.304 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.806 -16.212 -2.922 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.481 -16.642 -2.637 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.759 -14.653 -4.819 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.643 -16.376 -5.118 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.987 -15.619 -6.900 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.493 -14.652 -6.879 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.404 -16.426 -6.989 1.00 0.00 H new ATOM 699 N SER A 44 -12.687 -14.201 -0.247 1.00 0.00 N ATOM 700 CA SER A 44 -12.289 -14.370 1.140 1.00 0.00 C ATOM 701 C SER A 44 -12.923 -13.276 2.002 1.00 0.00 C ATOM 702 O SER A 44 -12.415 -12.158 2.067 1.00 0.00 O ATOM 703 CB SER A 44 -10.766 -14.342 1.284 1.00 0.00 C ATOM 704 OG SER A 44 -10.125 -15.195 0.339 1.00 0.00 O ATOM 0 H SER A 44 -12.108 -13.553 -0.781 1.00 0.00 H new ATOM 0 HA SER A 44 -12.641 -15.344 1.481 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.408 -13.321 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.492 -14.648 2.293 1.00 0.00 H new ATOM 0 HG SER A 44 -9.154 -15.148 0.462 1.00 0.00 H new ATOM 710 N THR A 45 -14.025 -13.638 2.644 1.00 0.00 N ATOM 711 CA THR A 45 -14.734 -12.702 3.500 1.00 0.00 C ATOM 712 C THR A 45 -13.823 -12.218 4.630 1.00 0.00 C ATOM 713 O THR A 45 -12.733 -12.753 4.827 1.00 0.00 O ATOM 714 CB THR A 45 -16.008 -13.388 3.997 1.00 0.00 C ATOM 715 OG1 THR A 45 -15.532 -14.456 4.812 1.00 0.00 O ATOM 716 CG2 THR A 45 -16.773 -14.089 2.873 1.00 0.00 C ATOM 0 H THR A 45 -14.444 -14.566 2.588 1.00 0.00 H new ATOM 0 HA THR A 45 -15.024 -11.805 2.952 1.00 0.00 H new ATOM 0 HB THR A 45 -16.656 -12.650 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.293 -14.953 5.177 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.668 -14.559 3.280 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.059 -13.358 2.117 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.138 -14.850 2.420 1.00 0.00 H new ATOM 724 N LEU A 46 -14.304 -11.210 5.343 1.00 0.00 N ATOM 725 CA LEU A 46 -13.547 -10.647 6.449 1.00 0.00 C ATOM 726 C LEU A 46 -13.099 -11.775 7.380 1.00 0.00 C ATOM 727 O LEU A 46 -11.903 -12.017 7.537 1.00 0.00 O ATOM 728 CB LEU A 46 -14.356 -9.555 7.151 1.00 0.00 C ATOM 729 CG LEU A 46 -13.544 -8.491 7.893 1.00 0.00 C ATOM 730 CD1 LEU A 46 -13.146 -8.979 9.287 1.00 0.00 C ATOM 731 CD2 LEU A 46 -12.329 -8.056 7.070 1.00 0.00 C ATOM 0 H LEU A 46 -15.208 -10.769 5.177 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.645 -10.157 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -14.978 -9.056 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -15.030 -10.031 7.863 1.00 0.00 H new ATOM 0 HG LEU A 46 -14.174 -7.612 8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.570 -8.204 9.793 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -14.043 -9.200 9.865 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.541 -9.881 9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.769 -7.299 7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.688 -8.918 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.663 -7.640 6.119 1.00 0.00 H new ATOM 743 N ASP A 47 -14.082 -12.435 7.974 1.00 0.00 N ATOM 744 CA ASP A 47 -13.804 -13.532 8.886 1.00 0.00 C ATOM 745 C ASP A 47 -12.732 -14.437 8.276 1.00 0.00 C ATOM 746 O ASP A 47 -11.761 -14.792 8.942 1.00 0.00 O ATOM 747 CB ASP A 47 -15.056 -14.378 9.129 1.00 0.00 C ATOM 748 CG ASP A 47 -15.821 -14.047 10.412 1.00 0.00 C ATOM 749 OD1 ASP A 47 -16.705 -13.167 10.335 1.00 0.00 O ATOM 750 OD2 ASP A 47 -15.504 -14.682 11.441 1.00 0.00 O ATOM 0 H ASP A 47 -15.073 -12.231 7.842 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.468 -13.107 9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.729 -14.256 8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.767 -15.428 9.157 1.00 0.00 H new ATOM 755 N GLU A 48 -12.945 -14.786 7.015 1.00 0.00 N ATOM 756 CA GLU A 48 -12.009 -15.643 6.308 1.00 0.00 C ATOM 757 C GLU A 48 -10.600 -15.051 6.364 1.00 0.00 C ATOM 758 O GLU A 48 -9.634 -15.762 6.636 1.00 0.00 O ATOM 759 CB GLU A 48 -12.454 -15.864 4.861 1.00 0.00 C ATOM 760 CG GLU A 48 -12.911 -17.308 4.641 1.00 0.00 C ATOM 761 CD GLU A 48 -12.671 -17.745 3.195 1.00 0.00 C ATOM 762 OE1 GLU A 48 -11.488 -17.751 2.792 1.00 0.00 O ATOM 763 OE2 GLU A 48 -13.677 -18.062 2.524 1.00 0.00 O ATOM 0 H GLU A 48 -13.752 -14.491 6.465 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.993 -16.615 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.268 -15.181 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.631 -15.632 4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.373 -17.971 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.970 -17.398 4.881 1.00 0.00 H new ATOM 770 N LEU A 49 -10.526 -13.754 6.102 1.00 0.00 N ATOM 771 CA LEU A 49 -9.251 -13.058 6.119 1.00 0.00 C ATOM 772 C LEU A 49 -8.691 -13.064 7.543 1.00 0.00 C ATOM 773 O LEU A 49 -7.496 -13.274 7.743 1.00 0.00 O ATOM 774 CB LEU A 49 -9.397 -11.657 5.521 1.00 0.00 C ATOM 775 CG LEU A 49 -8.302 -11.228 4.543 1.00 0.00 C ATOM 776 CD1 LEU A 49 -8.681 -11.587 3.104 1.00 0.00 C ATOM 777 CD2 LEU A 49 -7.981 -9.740 4.697 1.00 0.00 C ATOM 0 H LEU A 49 -11.329 -13.167 5.877 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.527 -13.574 5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.357 -11.601 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.429 -10.936 6.338 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.393 -11.780 4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.886 -11.271 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.820 -12.665 3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.608 -11.081 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.199 -9.461 3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.877 -9.152 4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.638 -9.545 5.713 1.00 0.00 H new ATOM 789 N PHE A 50 -9.582 -12.831 8.496 1.00 0.00 N ATOM 790 CA PHE A 50 -9.191 -12.807 9.895 1.00 0.00 C ATOM 791 C PHE A 50 -8.575 -14.143 10.316 1.00 0.00 C ATOM 792 O PHE A 50 -7.474 -14.178 10.863 1.00 0.00 O ATOM 793 CB PHE A 50 -10.463 -12.566 10.710 1.00 0.00 C ATOM 794 CG PHE A 50 -10.212 -12.333 12.202 1.00 0.00 C ATOM 795 CD1 PHE A 50 -9.152 -11.582 12.603 1.00 0.00 C ATOM 796 CD2 PHE A 50 -11.049 -12.878 13.125 1.00 0.00 C ATOM 797 CE1 PHE A 50 -8.919 -11.366 13.987 1.00 0.00 C ATOM 798 CE2 PHE A 50 -10.816 -12.662 14.509 1.00 0.00 C ATOM 799 CZ PHE A 50 -9.755 -11.910 14.911 1.00 0.00 C ATOM 0 H PHE A 50 -10.573 -12.657 8.327 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.447 -12.027 10.060 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.986 -11.702 10.301 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.125 -13.424 10.593 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.488 -11.150 11.869 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.891 -13.475 12.806 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -8.077 -10.769 14.306 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -11.480 -13.094 15.242 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.577 -11.746 15.964 1.00 0.00 H new ATOM 809 N GLU A 51 -9.313 -15.210 10.045 1.00 0.00 N ATOM 810 CA GLU A 51 -8.853 -16.545 10.388 1.00 0.00 C ATOM 811 C GLU A 51 -7.639 -16.923 9.538 1.00 0.00 C ATOM 812 O GLU A 51 -6.666 -17.474 10.050 1.00 0.00 O ATOM 813 CB GLU A 51 -9.977 -17.570 10.226 1.00 0.00 C ATOM 814 CG GLU A 51 -10.567 -17.956 11.584 1.00 0.00 C ATOM 815 CD GLU A 51 -11.808 -18.835 11.413 1.00 0.00 C ATOM 816 OE1 GLU A 51 -12.852 -18.272 11.018 1.00 0.00 O ATOM 817 OE2 GLU A 51 -11.684 -20.049 11.681 1.00 0.00 O ATOM 0 H GLU A 51 -10.226 -15.177 9.592 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.552 -16.547 11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.760 -17.159 9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.594 -18.459 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.819 -18.488 12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.828 -17.056 12.140 1.00 0.00 H new ATOM 824 N GLU A 52 -7.736 -16.612 8.253 1.00 0.00 N ATOM 825 CA GLU A 52 -6.657 -16.912 7.327 1.00 0.00 C ATOM 826 C GLU A 52 -5.379 -16.184 7.747 1.00 0.00 C ATOM 827 O GLU A 52 -4.346 -16.815 7.969 1.00 0.00 O ATOM 828 CB GLU A 52 -7.049 -16.549 5.893 1.00 0.00 C ATOM 829 CG GLU A 52 -5.974 -16.998 4.901 1.00 0.00 C ATOM 830 CD GLU A 52 -6.397 -16.698 3.462 1.00 0.00 C ATOM 831 OE1 GLU A 52 -7.205 -17.491 2.931 1.00 0.00 O ATOM 832 OE2 GLU A 52 -5.904 -15.683 2.925 1.00 0.00 O ATOM 0 H GLU A 52 -8.545 -16.155 7.832 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.467 -17.985 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.000 -17.019 5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.195 -15.472 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.035 -16.490 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.792 -18.067 5.015 1.00 0.00 H new ATOM 839 N LEU A 53 -5.490 -14.868 7.844 1.00 0.00 N ATOM 840 CA LEU A 53 -4.355 -14.048 8.233 1.00 0.00 C ATOM 841 C LEU A 53 -3.763 -14.589 9.536 1.00 0.00 C ATOM 842 O LEU A 53 -2.579 -14.919 9.594 1.00 0.00 O ATOM 843 CB LEU A 53 -4.760 -12.574 8.308 1.00 0.00 C ATOM 844 CG LEU A 53 -5.327 -11.968 7.023 1.00 0.00 C ATOM 845 CD1 LEU A 53 -6.395 -10.918 7.336 1.00 0.00 C ATOM 846 CD2 LEU A 53 -4.210 -11.405 6.142 1.00 0.00 C ATOM 0 H LEU A 53 -6.348 -14.349 7.660 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.570 -14.102 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.503 -12.462 9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.887 -11.993 8.606 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.813 -12.763 6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.781 -10.503 6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.210 -11.382 7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.956 -10.120 7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.641 -10.980 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.673 -10.628 6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.519 -12.205 5.875 1.00 0.00 H new ATOM 858 N ASP A 54 -4.614 -14.665 10.549 1.00 0.00 N ATOM 859 CA ASP A 54 -4.190 -15.161 11.847 1.00 0.00 C ATOM 860 C ASP A 54 -3.914 -16.663 11.749 1.00 0.00 C ATOM 861 O ASP A 54 -4.648 -17.471 12.315 1.00 0.00 O ATOM 862 CB ASP A 54 -5.278 -14.949 12.901 1.00 0.00 C ATOM 863 CG ASP A 54 -4.767 -14.777 14.333 1.00 0.00 C ATOM 864 OD1 ASP A 54 -3.853 -15.544 14.705 1.00 0.00 O ATOM 865 OD2 ASP A 54 -5.303 -13.883 15.023 1.00 0.00 O ATOM 0 H ASP A 54 -5.595 -14.391 10.497 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.293 -14.615 12.139 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.858 -14.067 12.630 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.959 -15.799 12.874 1.00 0.00 H new ATOM 870 N LYS A 55 -2.853 -16.992 11.026 1.00 0.00 N ATOM 871 CA LYS A 55 -2.471 -18.382 10.846 1.00 0.00 C ATOM 872 C LYS A 55 -2.106 -18.986 12.204 1.00 0.00 C ATOM 873 O LYS A 55 -2.112 -20.205 12.367 1.00 0.00 O ATOM 874 CB LYS A 55 -1.360 -18.502 9.801 1.00 0.00 C ATOM 875 CG LYS A 55 -1.127 -19.964 9.414 1.00 0.00 C ATOM 876 CD LYS A 55 -1.777 -20.285 8.067 1.00 0.00 C ATOM 877 CE LYS A 55 -2.106 -21.775 7.958 1.00 0.00 C ATOM 878 NZ LYS A 55 -3.431 -22.057 8.555 1.00 0.00 N ATOM 0 H LYS A 55 -2.246 -16.319 10.558 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.308 -18.959 10.454 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.625 -17.925 8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.438 -18.075 10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.057 -20.164 9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.536 -20.617 10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.688 -19.698 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.106 -19.997 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.100 -22.080 6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.340 -22.361 8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.640 -23.073 8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.425 -21.785 9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.161 -21.512 8.053 1.00 0.00 H new ATOM 892 N ASN A 56 -1.797 -18.104 13.144 1.00 0.00 N ATOM 893 CA ASN A 56 -1.430 -18.535 14.482 1.00 0.00 C ATOM 894 C ASN A 56 -2.699 -18.750 15.310 1.00 0.00 C ATOM 895 O ASN A 56 -3.805 -18.499 14.834 1.00 0.00 O ATOM 896 CB ASN A 56 -0.579 -17.477 15.187 1.00 0.00 C ATOM 897 CG ASN A 56 0.837 -17.438 14.610 1.00 0.00 C ATOM 898 OD1 ASN A 56 1.179 -16.600 13.792 1.00 0.00 O ATOM 899 ND2 ASN A 56 1.639 -18.390 15.080 1.00 0.00 N ATOM 0 H ASN A 56 -1.793 -17.094 13.005 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.858 -19.458 14.394 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.046 -16.498 15.079 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.535 -17.693 16.254 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.604 -18.449 14.756 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.288 -19.060 15.764 1.00 0.00 H new ATOM 906 N GLY A 57 -2.496 -19.212 16.535 1.00 0.00 N ATOM 907 CA GLY A 57 -3.610 -19.464 17.433 1.00 0.00 C ATOM 908 C GLY A 57 -3.534 -18.563 18.667 1.00 0.00 C ATOM 909 O GLY A 57 -3.552 -19.049 19.797 1.00 0.00 O ATOM 0 H GLY A 57 -1.577 -19.418 16.927 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.550 -19.291 16.909 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.604 -20.510 17.741 1.00 0.00 H new ATOM 913 N ASP A 58 -3.449 -17.266 18.409 1.00 0.00 N ATOM 914 CA ASP A 58 -3.370 -16.293 19.485 1.00 0.00 C ATOM 915 C ASP A 58 -4.494 -15.268 19.324 1.00 0.00 C ATOM 916 O ASP A 58 -5.257 -15.026 20.259 1.00 0.00 O ATOM 917 CB ASP A 58 -2.037 -15.541 19.451 1.00 0.00 C ATOM 918 CG ASP A 58 -0.822 -16.396 19.085 1.00 0.00 C ATOM 919 OD1 ASP A 58 -0.433 -17.223 19.938 1.00 0.00 O ATOM 920 OD2 ASP A 58 -0.310 -16.203 17.962 1.00 0.00 O ATOM 0 H ASP A 58 -3.433 -16.867 17.471 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.459 -16.828 20.430 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.116 -14.723 18.734 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.865 -15.092 20.429 1.00 0.00 H new ATOM 925 N GLY A 59 -4.563 -14.694 18.132 1.00 0.00 N ATOM 926 CA GLY A 59 -5.582 -13.701 17.837 1.00 0.00 C ATOM 927 C GLY A 59 -4.951 -12.402 17.331 1.00 0.00 C ATOM 928 O GLY A 59 -5.659 -11.454 16.996 1.00 0.00 O ATOM 0 H GLY A 59 -3.930 -14.898 17.359 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.270 -14.092 17.087 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.169 -13.500 18.733 1.00 0.00 H new ATOM 932 N GLU A 60 -3.627 -12.400 17.292 1.00 0.00 N ATOM 933 CA GLU A 60 -2.893 -11.234 16.833 1.00 0.00 C ATOM 934 C GLU A 60 -2.364 -11.463 15.416 1.00 0.00 C ATOM 935 O GLU A 60 -1.669 -12.445 15.160 1.00 0.00 O ATOM 936 CB GLU A 60 -1.753 -10.889 17.794 1.00 0.00 C ATOM 937 CG GLU A 60 -2.227 -10.942 19.248 1.00 0.00 C ATOM 938 CD GLU A 60 -1.975 -12.323 19.857 1.00 0.00 C ATOM 939 OE1 GLU A 60 -0.791 -12.725 19.880 1.00 0.00 O ATOM 940 OE2 GLU A 60 -2.970 -12.945 20.286 1.00 0.00 O ATOM 0 H GLU A 60 -3.043 -13.188 17.571 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.576 -10.385 16.812 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.928 -11.587 17.651 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.371 -9.893 17.568 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.707 -10.183 19.832 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.290 -10.708 19.296 1.00 0.00 H new ATOM 947 N VAL A 61 -2.715 -10.540 14.531 1.00 0.00 N ATOM 948 CA VAL A 61 -2.284 -10.629 13.146 1.00 0.00 C ATOM 949 C VAL A 61 -1.102 -9.685 12.922 1.00 0.00 C ATOM 950 O VAL A 61 -1.091 -8.915 11.963 1.00 0.00 O ATOM 951 CB VAL A 61 -3.463 -10.344 12.213 1.00 0.00 C ATOM 952 CG1 VAL A 61 -2.989 -10.181 10.767 1.00 0.00 C ATOM 953 CG2 VAL A 61 -4.526 -11.439 12.322 1.00 0.00 C ATOM 0 H VAL A 61 -3.293 -9.727 14.747 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.941 -11.638 12.916 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.918 -9.404 12.525 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.846 -9.979 10.124 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.286 -9.350 10.706 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.497 -11.097 10.440 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.353 -11.212 11.649 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.089 -12.399 12.049 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.895 -11.487 13.346 1.00 0.00 H new ATOM 963 N SER A 62 -0.135 -9.774 13.824 1.00 0.00 N ATOM 964 CA SER A 62 1.049 -8.937 13.737 1.00 0.00 C ATOM 965 C SER A 62 1.543 -8.878 12.290 1.00 0.00 C ATOM 966 O SER A 62 1.153 -9.701 11.463 1.00 0.00 O ATOM 967 CB SER A 62 2.158 -9.454 14.655 1.00 0.00 C ATOM 968 OG SER A 62 1.741 -10.589 15.409 1.00 0.00 O ATOM 0 H SER A 62 -0.148 -10.413 14.619 1.00 0.00 H new ATOM 0 HA SER A 62 0.782 -7.932 14.065 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.031 -9.717 14.057 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.465 -8.660 15.335 1.00 0.00 H new ATOM 0 HG SER A 62 1.971 -11.408 14.922 1.00 0.00 H new ATOM 974 N PHE A 63 2.394 -7.896 12.028 1.00 0.00 N ATOM 975 CA PHE A 63 2.945 -7.719 10.695 1.00 0.00 C ATOM 976 C PHE A 63 3.490 -9.040 10.148 1.00 0.00 C ATOM 977 O PHE A 63 3.454 -9.277 8.941 1.00 0.00 O ATOM 978 CB PHE A 63 4.095 -6.717 10.816 1.00 0.00 C ATOM 979 CG PHE A 63 4.666 -6.260 9.473 1.00 0.00 C ATOM 980 CD1 PHE A 63 3.832 -5.807 8.498 1.00 0.00 C ATOM 981 CD2 PHE A 63 6.007 -6.308 9.252 1.00 0.00 C ATOM 982 CE1 PHE A 63 4.362 -5.383 7.251 1.00 0.00 C ATOM 983 CE2 PHE A 63 6.537 -5.884 8.005 1.00 0.00 C ATOM 984 CZ PHE A 63 5.703 -5.430 7.031 1.00 0.00 C ATOM 0 H PHE A 63 2.715 -7.215 12.716 1.00 0.00 H new ATOM 0 HA PHE A 63 2.169 -7.367 10.015 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.746 -5.844 11.367 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.894 -7.167 11.405 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.767 -5.770 8.673 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.669 -6.669 10.025 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.700 -5.023 6.477 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.602 -5.922 7.830 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.106 -5.107 6.083 1.00 0.00 H new ATOM 994 N GLU A 64 3.982 -9.864 11.061 1.00 0.00 N ATOM 995 CA GLU A 64 4.535 -11.154 10.684 1.00 0.00 C ATOM 996 C GLU A 64 3.542 -11.921 9.808 1.00 0.00 C ATOM 997 O GLU A 64 3.885 -12.359 8.711 1.00 0.00 O ATOM 998 CB GLU A 64 4.918 -11.969 11.921 1.00 0.00 C ATOM 999 CG GLU A 64 3.909 -11.756 13.052 1.00 0.00 C ATOM 1000 CD GLU A 64 3.399 -13.095 13.590 1.00 0.00 C ATOM 1001 OE1 GLU A 64 4.111 -14.100 13.379 1.00 0.00 O ATOM 1002 OE2 GLU A 64 2.307 -13.083 14.199 1.00 0.00 O ATOM 0 H GLU A 64 4.009 -9.664 12.061 1.00 0.00 H new ATOM 0 HA GLU A 64 5.443 -10.983 10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.963 -13.027 11.664 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.914 -11.680 12.258 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.375 -11.190 13.858 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.070 -11.162 12.689 1.00 0.00 H new ATOM 1009 N GLU A 65 2.330 -12.061 10.326 1.00 0.00 N ATOM 1010 CA GLU A 65 1.285 -12.767 9.605 1.00 0.00 C ATOM 1011 C GLU A 65 0.818 -11.943 8.404 1.00 0.00 C ATOM 1012 O GLU A 65 0.361 -12.497 7.405 1.00 0.00 O ATOM 1013 CB GLU A 65 0.112 -13.103 10.529 1.00 0.00 C ATOM 1014 CG GLU A 65 0.553 -14.039 11.656 1.00 0.00 C ATOM 1015 CD GLU A 65 -0.656 -14.607 12.401 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -1.436 -13.784 12.929 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -0.775 -15.851 12.427 1.00 0.00 O ATOM 0 H GLU A 65 2.049 -11.697 11.237 1.00 0.00 H new ATOM 0 HA GLU A 65 1.696 -13.707 9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.297 -12.185 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.686 -13.572 9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.147 -14.855 11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.193 -13.498 12.353 1.00 0.00 H new ATOM 1024 N PHE A 66 0.949 -10.631 8.540 1.00 0.00 N ATOM 1025 CA PHE A 66 0.546 -9.725 7.478 1.00 0.00 C ATOM 1026 C PHE A 66 1.314 -10.016 6.188 1.00 0.00 C ATOM 1027 O PHE A 66 0.772 -9.874 5.093 1.00 0.00 O ATOM 1028 CB PHE A 66 0.881 -8.308 7.949 1.00 0.00 C ATOM 1029 CG PHE A 66 0.128 -7.208 7.198 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -1.228 -7.254 7.105 1.00 0.00 C ATOM 1031 CD2 PHE A 66 0.815 -6.185 6.622 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -1.927 -6.233 6.408 1.00 0.00 C ATOM 1033 CE2 PHE A 66 0.116 -5.164 5.925 1.00 0.00 C ATOM 1034 CZ PHE A 66 -1.240 -5.210 5.832 1.00 0.00 C ATOM 0 H PHE A 66 1.328 -10.174 9.369 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.517 -9.844 7.270 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.656 -8.227 9.012 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.952 -8.143 7.836 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.773 -8.067 7.561 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.892 -6.149 6.695 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.004 -6.269 6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.661 -4.351 5.469 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.771 -4.434 5.301 1.00 0.00 H new ATOM 1044 N GLN A 67 2.565 -10.417 6.359 1.00 0.00 N ATOM 1045 CA GLN A 67 3.414 -10.730 5.222 1.00 0.00 C ATOM 1046 C GLN A 67 2.805 -11.870 4.403 1.00 0.00 C ATOM 1047 O GLN A 67 3.214 -12.111 3.268 1.00 0.00 O ATOM 1048 CB GLN A 67 4.833 -11.077 5.675 1.00 0.00 C ATOM 1049 CG GLN A 67 5.458 -9.919 6.456 1.00 0.00 C ATOM 1050 CD GLN A 67 6.928 -9.730 6.073 1.00 0.00 C ATOM 1051 OE1 GLN A 67 7.557 -10.592 5.481 1.00 0.00 O ATOM 1052 NE2 GLN A 67 7.437 -8.558 6.442 1.00 0.00 N ATOM 0 H GLN A 67 3.012 -10.532 7.269 1.00 0.00 H new ATOM 0 HA GLN A 67 3.478 -9.846 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.811 -11.971 6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 67 5.449 -11.309 4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.905 -9.001 6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.379 -10.112 7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.854 -7.881 6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.410 -8.336 6.232 1.00 0.00 H new ATOM 1061 N VAL A 68 1.838 -12.541 5.010 1.00 0.00 N ATOM 1062 CA VAL A 68 1.169 -13.650 4.352 1.00 0.00 C ATOM 1063 C VAL A 68 0.184 -13.104 3.316 1.00 0.00 C ATOM 1064 O VAL A 68 0.018 -13.684 2.245 1.00 0.00 O ATOM 1065 CB VAL A 68 0.502 -14.552 5.393 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -0.194 -15.739 4.724 1.00 0.00 C ATOM 1067 CG2 VAL A 68 1.516 -15.027 6.436 1.00 0.00 C ATOM 0 H VAL A 68 1.501 -12.338 5.951 1.00 0.00 H new ATOM 0 HA VAL A 68 1.891 -14.269 3.820 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.258 -13.965 5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.660 -16.364 5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.958 -15.373 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.539 -16.326 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.017 -15.666 7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.309 -15.589 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.946 -14.164 6.945 1.00 0.00 H new ATOM 1077 N LEU A 69 -0.445 -11.993 3.673 1.00 0.00 N ATOM 1078 CA LEU A 69 -1.409 -11.361 2.788 1.00 0.00 C ATOM 1079 C LEU A 69 -0.664 -10.625 1.672 1.00 0.00 C ATOM 1080 O LEU A 69 -1.149 -10.546 0.545 1.00 0.00 O ATOM 1081 CB LEU A 69 -2.363 -10.469 3.584 1.00 0.00 C ATOM 1082 CG LEU A 69 -3.760 -10.282 2.990 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -4.476 -11.626 2.841 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -4.578 -9.285 3.814 1.00 0.00 C ATOM 0 H LEU A 69 -0.306 -11.515 4.563 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.038 -12.112 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.469 -10.887 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.903 -9.487 3.695 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.653 -9.861 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.467 -11.465 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.899 -12.274 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.572 -12.097 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.567 -9.171 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.679 -9.653 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.071 -8.320 3.825 1.00 0.00 H new ATOM 1096 N VAL A 70 0.501 -10.104 2.026 1.00 0.00 N ATOM 1097 CA VAL A 70 1.317 -9.377 1.069 1.00 0.00 C ATOM 1098 C VAL A 70 1.465 -10.210 -0.206 1.00 0.00 C ATOM 1099 O VAL A 70 1.695 -9.665 -1.285 1.00 0.00 O ATOM 1100 CB VAL A 70 2.661 -9.007 1.700 1.00 0.00 C ATOM 1101 CG1 VAL A 70 3.752 -8.881 0.635 1.00 0.00 C ATOM 1102 CG2 VAL A 70 2.546 -7.722 2.522 1.00 0.00 C ATOM 0 H VAL A 70 0.900 -10.171 2.963 1.00 0.00 H new ATOM 0 HA VAL A 70 0.835 -8.440 0.791 1.00 0.00 H new ATOM 0 HB VAL A 70 2.946 -9.813 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.696 -8.617 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.862 -9.831 0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.476 -8.104 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.515 -7.482 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.227 -6.904 1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.814 -7.863 3.317 1.00 0.00 H new ATOM 1112 N LYS A 71 1.326 -11.517 -0.040 1.00 0.00 N ATOM 1113 CA LYS A 71 1.441 -12.430 -1.164 1.00 0.00 C ATOM 1114 C LYS A 71 0.229 -12.258 -2.082 1.00 0.00 C ATOM 1115 O LYS A 71 0.371 -12.213 -3.303 1.00 0.00 O ATOM 1116 CB LYS A 71 1.640 -13.865 -0.671 1.00 0.00 C ATOM 1117 CG LYS A 71 2.732 -14.574 -1.473 1.00 0.00 C ATOM 1118 CD LYS A 71 2.251 -15.940 -1.966 1.00 0.00 C ATOM 1119 CE LYS A 71 2.876 -17.071 -1.146 1.00 0.00 C ATOM 1120 NZ LYS A 71 3.125 -18.254 -2.000 1.00 0.00 N ATOM 0 H LYS A 71 1.135 -11.965 0.856 1.00 0.00 H new ATOM 0 HA LYS A 71 2.326 -12.195 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.908 -13.856 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.704 -14.416 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.021 -13.958 -2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.620 -14.699 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.165 -15.994 -1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.510 -16.063 -3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.812 -16.732 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.213 -17.341 -0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.549 -19.012 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.226 -18.586 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.775 -17.996 -2.770 1.00 0.00 H new ATOM 1134 N LYS A 72 -0.937 -12.166 -1.458 1.00 0.00 N ATOM 1135 CA LYS A 72 -2.173 -12.000 -2.204 1.00 0.00 C ATOM 1136 C LYS A 72 -2.205 -10.601 -2.825 1.00 0.00 C ATOM 1137 O LYS A 72 -2.746 -10.414 -3.913 1.00 0.00 O ATOM 1138 CB LYS A 72 -3.380 -12.305 -1.315 1.00 0.00 C ATOM 1139 CG LYS A 72 -3.404 -13.781 -0.912 1.00 0.00 C ATOM 1140 CD LYS A 72 -3.827 -14.664 -2.087 1.00 0.00 C ATOM 1141 CE LYS A 72 -4.734 -15.804 -1.619 1.00 0.00 C ATOM 1142 NZ LYS A 72 -5.888 -15.956 -2.532 1.00 0.00 N ATOM 0 H LYS A 72 -1.051 -12.203 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.221 -12.715 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.346 -11.681 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.299 -12.054 -1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.416 -14.082 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.093 -13.923 -0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.349 -14.061 -2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.943 -15.075 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.168 -16.735 -1.581 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.087 -15.604 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.493 -16.734 -2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.437 -15.073 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.546 -16.169 -3.491 1.00 0.00 H new ATOM 1156 N ILE A 73 -1.618 -9.656 -2.105 1.00 0.00 N ATOM 1157 CA ILE A 73 -1.573 -8.281 -2.572 1.00 0.00 C ATOM 1158 C ILE A 73 -0.537 -8.160 -3.692 1.00 0.00 C ATOM 1159 O ILE A 73 -0.455 -7.130 -4.358 1.00 0.00 O ATOM 1160 CB ILE A 73 -1.327 -7.326 -1.402 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -2.587 -7.168 -0.548 1.00 0.00 C ATOM 1162 CG2 ILE A 73 -0.797 -5.978 -1.896 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -2.230 -6.809 0.895 1.00 0.00 C ATOM 0 H ILE A 73 -1.170 -9.815 -1.203 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.535 -7.991 -2.994 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.558 -7.760 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.223 -6.392 -0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.160 -8.095 -0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.631 -5.318 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.143 -6.129 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.525 -5.525 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.143 -6.703 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.614 -7.599 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.678 -5.869 0.910 1.00 0.00 H new ATOM 1175 N SER A 74 0.227 -9.229 -3.864 1.00 0.00 N ATOM 1176 CA SER A 74 1.254 -9.256 -4.892 1.00 0.00 C ATOM 1177 C SER A 74 0.671 -9.795 -6.200 1.00 0.00 C ATOM 1178 O SER A 74 0.929 -9.248 -7.271 1.00 0.00 O ATOM 1179 CB SER A 74 2.449 -10.104 -4.454 1.00 0.00 C ATOM 1180 OG SER A 74 3.690 -9.507 -4.820 1.00 0.00 O ATOM 0 H SER A 74 0.156 -10.082 -3.309 1.00 0.00 H new ATOM 0 HA SER A 74 1.606 -8.237 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.418 -10.243 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.376 -11.094 -4.905 1.00 0.00 H new ATOM 0 HG SER A 74 4.428 -10.078 -4.521 1.00 0.00 H new ATOM 1186 N GLN A 75 -0.103 -10.863 -6.070 1.00 0.00 N ATOM 1187 CA GLN A 75 -0.725 -11.482 -7.228 1.00 0.00 C ATOM 1188 C GLN A 75 -1.818 -10.573 -7.793 1.00 0.00 C ATOM 1189 O GLN A 75 -1.623 -9.927 -8.821 1.00 0.00 O ATOM 1190 CB GLN A 75 -1.285 -12.862 -6.877 1.00 0.00 C ATOM 1191 CG GLN A 75 -0.796 -13.920 -7.867 1.00 0.00 C ATOM 1192 CD GLN A 75 0.582 -14.451 -7.467 1.00 0.00 C ATOM 1193 OE1 GLN A 75 1.544 -14.379 -8.213 1.00 0.00 O ATOM 1194 NE2 GLN A 75 0.623 -14.987 -6.250 1.00 0.00 N ATOM 0 H GLN A 75 -0.313 -11.315 -5.180 1.00 0.00 H new ATOM 0 HA GLN A 75 0.037 -11.620 -7.995 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.980 -13.136 -5.867 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.374 -12.829 -6.884 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.509 -14.743 -7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.748 -13.492 -8.868 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.220 -15.015 -5.677 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.498 -15.369 -5.890 1.00 0.00 H new