USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 515 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 17 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 22 MET CE :methyl -145:sc= -0.0347 (180deg=-0.316) USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= -0.245 (180deg=-1.12) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 110:sc= -0.0972 USER MOD Single : A 39 SER OG : rot 91:sc= 0.057 USER MOD Single : A 41 GLN : amide:sc= -1.65! X(o=-1.6!,f=-1.4) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -3.18! (180deg=-3.63!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -144:sc= -0.08 (180deg=-0.823) USER MOD Single : A 70 SER OG : rot -175:sc= -0.52 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0141 USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 16 0.312 4.111 -12.363 1.00 0.00 N ATOM 39 CA LEU A 16 1.737 4.382 -12.304 1.00 0.00 C ATOM 40 C LEU A 16 2.521 3.392 -13.158 1.00 0.00 C ATOM 41 O LEU A 16 1.947 2.521 -13.808 1.00 0.00 O ATOM 42 CB LEU A 16 2.221 4.302 -10.855 1.00 0.00 C ATOM 43 CG LEU A 16 1.940 5.618 -10.121 1.00 0.00 C ATOM 44 CD1 LEU A 16 2.414 5.496 -8.677 1.00 0.00 C ATOM 45 CD2 LEU A 16 2.708 6.765 -10.774 1.00 0.00 C ATOM 0 HA LEU A 16 1.907 5.385 -12.695 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.721 3.480 -10.343 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.290 4.088 -10.834 1.00 0.00 H new ATOM 0 HG LEU A 16 0.870 5.819 -10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.217 6.429 -8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.880 4.682 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.484 5.290 -8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.498 7.693 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.777 6.557 -10.733 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.397 6.865 -11.814 1.00 0.00 H new ATOM 57 N THR A 17 3.841 3.544 -13.153 1.00 0.00 N ATOM 58 CA THR A 17 4.708 2.668 -13.930 1.00 0.00 C ATOM 59 C THR A 17 4.851 1.315 -13.245 1.00 0.00 C ATOM 60 O THR A 17 3.982 0.899 -12.478 1.00 0.00 O ATOM 61 CB THR A 17 6.090 3.305 -14.106 1.00 0.00 C ATOM 62 OG1 THR A 17 6.768 3.320 -12.857 1.00 0.00 O ATOM 63 CG2 THR A 17 5.937 4.738 -14.624 1.00 0.00 C ATOM 0 H THR A 17 4.332 4.263 -12.621 1.00 0.00 H new ATOM 0 HA THR A 17 4.255 2.522 -14.911 1.00 0.00 H new ATOM 0 HB THR A 17 6.666 2.723 -14.825 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.653 3.726 -12.970 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.922 5.187 -14.748 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.421 4.725 -15.584 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.358 5.323 -13.909 1.00 0.00 H new ATOM 71 N GLN A 18 5.951 0.632 -13.531 1.00 0.00 N ATOM 72 CA GLN A 18 6.197 -0.674 -12.940 1.00 0.00 C ATOM 73 C GLN A 18 6.299 -0.559 -11.426 1.00 0.00 C ATOM 74 O GLN A 18 6.001 -1.509 -10.702 1.00 0.00 O ATOM 75 CB GLN A 18 7.494 -1.266 -13.494 1.00 0.00 C ATOM 76 CG GLN A 18 8.666 -0.347 -13.144 1.00 0.00 C ATOM 77 CD GLN A 18 9.963 -0.919 -13.706 1.00 0.00 C ATOM 78 OE1 GLN A 18 9.933 -1.812 -14.552 1.00 0.00 O ATOM 79 NE2 GLN A 18 11.108 -0.452 -13.286 1.00 0.00 N ATOM 0 H GLN A 18 6.681 0.958 -14.164 1.00 0.00 H new ATOM 0 HA GLN A 18 5.364 -1.329 -13.193 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.660 -2.259 -13.077 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.420 -1.383 -14.575 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.492 0.649 -13.551 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.745 -0.240 -12.062 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.130 0.288 -12.585 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.980 -0.828 -13.659 1.00 0.00 H new ATOM 88 N GLY A 19 6.729 0.605 -10.950 1.00 0.00 N ATOM 89 CA GLY A 19 6.869 0.814 -9.521 1.00 0.00 C ATOM 90 C GLY A 19 7.235 2.260 -9.205 1.00 0.00 C ATOM 91 O GLY A 19 8.151 2.517 -8.434 1.00 0.00 O ATOM 0 H GLY A 19 6.983 1.406 -11.528 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.936 0.555 -9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.637 0.148 -9.128 1.00 0.00 H new ATOM 95 N GLU A 20 6.513 3.197 -9.803 1.00 0.00 N ATOM 96 CA GLU A 20 6.767 4.611 -9.578 1.00 0.00 C ATOM 97 C GLU A 20 6.590 4.965 -8.107 1.00 0.00 C ATOM 98 O GLU A 20 7.063 6.004 -7.649 1.00 0.00 O ATOM 99 CB GLU A 20 5.821 5.445 -10.437 1.00 0.00 C ATOM 100 CG GLU A 20 6.635 6.439 -11.255 1.00 0.00 C ATOM 101 CD GLU A 20 5.711 7.385 -12.013 1.00 0.00 C ATOM 102 OE1 GLU A 20 5.024 8.158 -11.364 1.00 0.00 O ATOM 103 OE2 GLU A 20 5.702 7.325 -13.231 1.00 0.00 O ATOM 0 H GLU A 20 5.747 3.003 -10.448 1.00 0.00 H new ATOM 0 HA GLU A 20 7.797 4.830 -9.859 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.244 4.798 -11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.107 5.974 -9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.291 7.010 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.274 5.904 -11.957 1.00 0.00 H new ATOM 110 N LEU A 21 5.906 4.098 -7.372 1.00 0.00 N ATOM 111 CA LEU A 21 5.683 4.335 -5.953 1.00 0.00 C ATOM 112 C LEU A 21 6.365 3.258 -5.105 1.00 0.00 C ATOM 113 O LEU A 21 6.671 3.479 -3.929 1.00 0.00 O ATOM 114 CB LEU A 21 4.179 4.368 -5.654 1.00 0.00 C ATOM 115 CG LEU A 21 3.597 2.948 -5.719 1.00 0.00 C ATOM 116 CD1 LEU A 21 3.342 2.407 -4.307 1.00 0.00 C ATOM 117 CD2 LEU A 21 2.271 2.970 -6.477 1.00 0.00 C ATOM 0 H LEU A 21 5.500 3.234 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 21 6.119 5.300 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.006 4.796 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.671 5.011 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 21 4.315 2.306 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.930 1.400 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.280 2.380 -3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.635 3.056 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.861 1.961 -6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.568 3.625 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.437 3.339 -7.489 1.00 0.00 H new ATOM 129 N MET A 22 6.603 2.096 -5.714 1.00 0.00 N ATOM 130 CA MET A 22 7.241 0.981 -5.017 1.00 0.00 C ATOM 131 C MET A 22 8.649 1.328 -4.580 1.00 0.00 C ATOM 132 O MET A 22 8.974 1.279 -3.394 1.00 0.00 O ATOM 133 CB MET A 22 7.274 -0.246 -5.942 1.00 0.00 C ATOM 134 CG MET A 22 8.540 -1.064 -5.687 1.00 0.00 C ATOM 135 SD MET A 22 8.345 -2.727 -6.374 1.00 0.00 S ATOM 136 CE MET A 22 9.175 -2.422 -7.952 1.00 0.00 C ATOM 0 H MET A 22 6.364 1.903 -6.687 1.00 0.00 H new ATOM 0 HA MET A 22 6.658 0.762 -4.122 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.392 -0.864 -5.771 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.242 0.073 -6.984 1.00 0.00 H new ATOM 0 HG2 MET A 22 9.400 -0.572 -6.141 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.736 -1.124 -4.616 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.687 -2.999 -8.737 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.119 -1.361 -8.193 1.00 0.00 H new ATOM 0 HE3 MET A 22 10.220 -2.722 -7.877 1.00 0.00 H new ATOM 146 N LYS A 23 9.484 1.664 -5.535 1.00 0.00 N ATOM 147 CA LYS A 23 10.858 2.001 -5.225 1.00 0.00 C ATOM 148 C LYS A 23 10.933 3.402 -4.641 1.00 0.00 C ATOM 149 O LYS A 23 11.964 4.064 -4.727 1.00 0.00 O ATOM 150 CB LYS A 23 11.705 1.907 -6.495 1.00 0.00 C ATOM 151 CG LYS A 23 11.060 2.743 -7.609 1.00 0.00 C ATOM 152 CD LYS A 23 11.061 1.959 -8.923 1.00 0.00 C ATOM 153 CE LYS A 23 10.870 2.925 -10.095 1.00 0.00 C ATOM 154 NZ LYS A 23 12.025 3.864 -10.165 1.00 0.00 N ATOM 0 H LYS A 23 9.242 1.712 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 23 11.245 1.299 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.716 2.265 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.791 0.867 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.038 3.004 -7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.605 3.678 -7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.000 1.417 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.263 1.217 -8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.785 2.368 -11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.942 3.483 -9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.182 4.148 -11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.823 4.707 -9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.878 3.393 -9.801 1.00 0.00 H new ATOM 168 N LEU A 24 9.824 3.860 -4.073 1.00 0.00 N ATOM 169 CA LEU A 24 9.767 5.192 -3.497 1.00 0.00 C ATOM 170 C LEU A 24 9.461 5.125 -2.017 1.00 0.00 C ATOM 171 O LEU A 24 10.118 5.780 -1.215 1.00 0.00 O ATOM 172 CB LEU A 24 8.682 6.023 -4.178 1.00 0.00 C ATOM 173 CG LEU A 24 9.152 6.503 -5.557 1.00 0.00 C ATOM 174 CD1 LEU A 24 10.391 7.385 -5.405 1.00 0.00 C ATOM 175 CD2 LEU A 24 9.501 5.302 -6.430 1.00 0.00 C ATOM 0 H LEU A 24 8.956 3.329 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 24 10.741 5.657 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.775 5.428 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.430 6.881 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 24 8.350 7.075 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.720 7.723 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.149 8.249 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.189 6.813 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.834 5.648 -7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.298 4.728 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.621 4.671 -6.549 1.00 0.00 H new ATOM 187 N ILE A 25 8.448 4.348 -1.658 1.00 0.00 N ATOM 188 CA ILE A 25 8.067 4.247 -0.259 1.00 0.00 C ATOM 189 C ILE A 25 9.266 3.901 0.626 1.00 0.00 C ATOM 190 O ILE A 25 9.559 4.603 1.596 1.00 0.00 O ATOM 191 CB ILE A 25 6.994 3.167 -0.090 1.00 0.00 C ATOM 192 CG1 ILE A 25 7.213 2.057 -1.117 1.00 0.00 C ATOM 193 CG2 ILE A 25 5.606 3.767 -0.308 1.00 0.00 C ATOM 194 CD1 ILE A 25 6.666 0.741 -0.576 1.00 0.00 C ATOM 0 H ILE A 25 7.887 3.790 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 25 7.678 5.217 0.049 1.00 0.00 H new ATOM 0 HB ILE A 25 7.065 2.762 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.716 2.311 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.276 1.957 -1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.851 2.991 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.434 4.559 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.542 4.180 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.824 -0.048 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.183 0.485 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.599 0.844 -0.378 1.00 0.00 H new ATOM 206 N LYS A 26 9.958 2.826 0.294 1.00 0.00 N ATOM 207 CA LYS A 26 11.102 2.402 1.093 1.00 0.00 C ATOM 208 C LYS A 26 12.365 3.155 0.708 1.00 0.00 C ATOM 209 O LYS A 26 13.273 3.319 1.516 1.00 0.00 O ATOM 210 CB LYS A 26 11.320 0.896 0.919 1.00 0.00 C ATOM 211 CG LYS A 26 11.207 0.519 -0.565 1.00 0.00 C ATOM 212 CD LYS A 26 12.466 -0.227 -1.013 1.00 0.00 C ATOM 213 CE LYS A 26 13.615 0.766 -1.200 1.00 0.00 C ATOM 214 NZ LYS A 26 14.851 0.028 -1.584 1.00 0.00 N ATOM 0 H LYS A 26 9.755 2.235 -0.512 1.00 0.00 H new ATOM 0 HA LYS A 26 10.886 2.627 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.302 0.615 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.582 0.343 1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.328 -0.106 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.073 1.417 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.739 -0.978 -0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.274 -0.756 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.359 1.494 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.783 1.323 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.633 0.702 -1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.097 -0.650 -0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.687 -0.484 -2.474 1.00 0.00 H new ATOM 228 N GLU A 27 12.409 3.602 -0.528 1.00 0.00 N ATOM 229 CA GLU A 27 13.557 4.334 -1.038 1.00 0.00 C ATOM 230 C GLU A 27 13.631 5.716 -0.411 1.00 0.00 C ATOM 231 O GLU A 27 14.714 6.215 -0.134 1.00 0.00 O ATOM 232 CB GLU A 27 13.469 4.463 -2.556 1.00 0.00 C ATOM 233 CG GLU A 27 14.770 5.054 -3.100 1.00 0.00 C ATOM 234 CD GLU A 27 14.721 5.103 -4.623 1.00 0.00 C ATOM 235 OE1 GLU A 27 13.714 5.545 -5.151 1.00 0.00 O ATOM 236 OE2 GLU A 27 15.693 4.698 -5.241 1.00 0.00 O ATOM 0 H GLU A 27 11.658 3.472 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 27 14.459 3.780 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.287 3.486 -3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.627 5.100 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.919 6.057 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.618 4.451 -2.774 1.00 0.00 H new ATOM 243 N ILE A 28 12.470 6.335 -0.205 1.00 0.00 N ATOM 244 CA ILE A 28 12.424 7.667 0.379 1.00 0.00 C ATOM 245 C ILE A 28 12.358 7.579 1.899 1.00 0.00 C ATOM 246 O ILE A 28 12.953 8.397 2.603 1.00 0.00 O ATOM 247 CB ILE A 28 11.216 8.441 -0.160 1.00 0.00 C ATOM 248 CG1 ILE A 28 9.916 7.832 0.377 1.00 0.00 C ATOM 249 CG2 ILE A 28 11.212 8.369 -1.688 1.00 0.00 C ATOM 250 CD1 ILE A 28 9.384 8.691 1.522 1.00 0.00 C ATOM 0 H ILE A 28 11.559 5.937 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 28 13.334 8.199 0.101 1.00 0.00 H new ATOM 0 HB ILE A 28 11.284 9.479 0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.175 7.770 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.095 6.815 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.354 8.918 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 28 12.131 8.810 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.148 7.327 -2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.460 8.257 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.124 8.730 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.189 9.700 1.159 1.00 0.00 H new ATOM 262 N VAL A 29 11.638 6.581 2.404 1.00 0.00 N ATOM 263 CA VAL A 29 11.517 6.400 3.838 1.00 0.00 C ATOM 264 C VAL A 29 12.866 6.026 4.442 1.00 0.00 C ATOM 265 O VAL A 29 13.234 6.511 5.514 1.00 0.00 O ATOM 266 CB VAL A 29 10.489 5.313 4.141 1.00 0.00 C ATOM 267 CG1 VAL A 29 10.521 4.990 5.631 1.00 0.00 C ATOM 268 CG2 VAL A 29 9.095 5.816 3.759 1.00 0.00 C ATOM 0 H VAL A 29 11.135 5.893 1.843 1.00 0.00 H new ATOM 0 HA VAL A 29 11.185 7.338 4.282 1.00 0.00 H new ATOM 0 HB VAL A 29 10.723 4.416 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.788 4.214 5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.515 4.638 5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.283 5.887 6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.358 5.043 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.861 6.711 4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.073 6.053 2.695 1.00 0.00 H new ATOM 278 N GLU A 30 13.596 5.154 3.754 1.00 0.00 N ATOM 279 CA GLU A 30 14.899 4.720 4.251 1.00 0.00 C ATOM 280 C GLU A 30 15.939 5.813 4.056 1.00 0.00 C ATOM 281 O GLU A 30 17.085 5.675 4.484 1.00 0.00 O ATOM 282 CB GLU A 30 15.342 3.449 3.526 1.00 0.00 C ATOM 283 CG GLU A 30 14.412 2.297 3.912 1.00 0.00 C ATOM 284 CD GLU A 30 14.763 1.051 3.108 1.00 0.00 C ATOM 285 OE1 GLU A 30 14.085 0.051 3.276 1.00 0.00 O ATOM 286 OE2 GLU A 30 15.702 1.117 2.333 1.00 0.00 O ATOM 0 H GLU A 30 13.315 4.739 2.866 1.00 0.00 H new ATOM 0 HA GLU A 30 14.807 4.512 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.319 3.605 2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.371 3.205 3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.501 2.089 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.375 2.578 3.728 1.00 0.00 H new ATOM 293 N ASN A 31 15.539 6.893 3.399 1.00 0.00 N ATOM 294 CA ASN A 31 16.456 7.997 3.149 1.00 0.00 C ATOM 295 C ASN A 31 16.076 9.229 3.968 1.00 0.00 C ATOM 296 O ASN A 31 16.735 10.264 3.883 1.00 0.00 O ATOM 297 CB ASN A 31 16.449 8.344 1.661 1.00 0.00 C ATOM 298 CG ASN A 31 17.876 8.426 1.128 1.00 0.00 C ATOM 299 OD1 ASN A 31 18.346 9.507 0.774 1.00 0.00 O ATOM 300 ND2 ASN A 31 18.597 7.341 1.049 1.00 0.00 N ATOM 0 H ASN A 31 14.597 7.028 3.033 1.00 0.00 H new ATOM 0 HA ASN A 31 17.456 7.685 3.450 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.890 7.589 1.108 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.940 9.295 1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 31 19.552 7.388 0.693 1.00 0.00 H new ATOM 0 HD22 ASN A 31 18.206 6.446 1.343 1.00 0.00 H new ATOM 307 N GLU A 32 15.010 9.117 4.754 1.00 0.00 N ATOM 308 CA GLU A 32 14.560 10.230 5.574 1.00 0.00 C ATOM 309 C GLU A 32 14.937 10.021 7.032 1.00 0.00 C ATOM 310 O GLU A 32 16.114 10.051 7.391 1.00 0.00 O ATOM 311 CB GLU A 32 13.045 10.373 5.453 1.00 0.00 C ATOM 312 CG GLU A 32 12.695 11.033 4.122 1.00 0.00 C ATOM 313 CD GLU A 32 13.014 12.524 4.191 1.00 0.00 C ATOM 314 OE1 GLU A 32 13.311 12.995 5.276 1.00 0.00 O ATOM 315 OE2 GLU A 32 12.958 13.171 3.158 1.00 0.00 O ATOM 0 H GLU A 32 14.446 8.271 4.839 1.00 0.00 H new ATOM 0 HA GLU A 32 15.048 11.138 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.571 9.394 5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.659 10.971 6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.259 10.567 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.638 10.887 3.899 1.00 0.00 H new ATOM 322 N ASP A 33 13.931 9.812 7.871 1.00 0.00 N ATOM 323 CA ASP A 33 14.175 9.604 9.285 1.00 0.00 C ATOM 324 C ASP A 33 13.998 8.139 9.651 1.00 0.00 C ATOM 325 O ASP A 33 12.879 7.658 9.826 1.00 0.00 O ATOM 326 CB ASP A 33 13.213 10.458 10.112 1.00 0.00 C ATOM 327 CG ASP A 33 13.574 11.934 9.980 1.00 0.00 C ATOM 328 OD1 ASP A 33 14.605 12.223 9.395 1.00 0.00 O ATOM 329 OD2 ASP A 33 12.812 12.754 10.465 1.00 0.00 O ATOM 0 H ASP A 33 12.949 9.783 7.597 1.00 0.00 H new ATOM 0 HA ASP A 33 15.202 9.898 9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.189 10.295 9.776 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.256 10.158 11.159 1.00 0.00 H new ATOM 334 N LYS A 34 15.114 7.440 9.779 1.00 0.00 N ATOM 335 CA LYS A 34 15.085 6.028 10.141 1.00 0.00 C ATOM 336 C LYS A 34 14.470 5.849 11.527 1.00 0.00 C ATOM 337 O LYS A 34 13.748 4.884 11.778 1.00 0.00 O ATOM 338 CB LYS A 34 16.500 5.444 10.124 1.00 0.00 C ATOM 339 CG LYS A 34 17.015 5.393 8.684 1.00 0.00 C ATOM 340 CD LYS A 34 18.425 4.797 8.664 1.00 0.00 C ATOM 341 CE LYS A 34 18.933 4.737 7.222 1.00 0.00 C ATOM 342 NZ LYS A 34 20.310 4.168 7.204 1.00 0.00 N ATOM 0 H LYS A 34 16.049 7.823 9.639 1.00 0.00 H new ATOM 0 HA LYS A 34 14.474 5.498 9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.164 6.054 10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.497 4.443 10.556 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.346 4.791 8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.027 6.395 8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.096 5.403 9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.415 3.798 9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.267 4.124 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.935 5.735 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.656 4.127 6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.942 4.770 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.295 3.209 7.606 1.00 0.00 H new ATOM 356 N ARG A 35 14.771 6.784 12.425 1.00 0.00 N ATOM 357 CA ARG A 35 14.255 6.724 13.790 1.00 0.00 C ATOM 358 C ARG A 35 12.786 7.132 13.826 1.00 0.00 C ATOM 359 O ARG A 35 12.126 7.029 14.859 1.00 0.00 O ATOM 360 CB ARG A 35 15.065 7.653 14.695 1.00 0.00 C ATOM 361 CG ARG A 35 16.551 7.547 14.341 1.00 0.00 C ATOM 362 CD ARG A 35 16.999 6.090 14.451 1.00 0.00 C ATOM 363 NE ARG A 35 18.446 5.988 14.298 1.00 0.00 N ATOM 364 CZ ARG A 35 19.006 4.965 13.652 1.00 0.00 C ATOM 365 NH1 ARG A 35 18.262 4.021 13.140 1.00 0.00 N ATOM 366 NH2 ARG A 35 20.303 4.904 13.532 1.00 0.00 N ATOM 0 H ARG A 35 15.367 7.589 12.233 1.00 0.00 H new ATOM 0 HA ARG A 35 14.345 5.698 14.147 1.00 0.00 H new ATOM 0 HB2 ARG A 35 14.725 8.682 14.575 1.00 0.00 H new ATOM 0 HB3 ARG A 35 14.910 7.385 15.740 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.722 7.916 13.330 1.00 0.00 H new ATOM 0 HG3 ARG A 35 17.141 8.172 15.012 1.00 0.00 H new ATOM 0 HD2 ARG A 35 16.700 5.683 15.417 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.503 5.492 13.686 1.00 0.00 H new ATOM 0 HE ARG A 35 19.042 6.715 14.694 1.00 0.00 H new ATOM 0 HH11 ARG A 35 17.247 4.064 13.233 1.00 0.00 H new ATOM 0 HH12 ARG A 35 18.696 3.241 12.647 1.00 0.00 H new ATOM 0 HH21 ARG A 35 20.887 5.638 13.932 1.00 0.00 H new ATOM 0 HH22 ARG A 35 20.733 4.122 13.038 1.00 0.00 H new ATOM 380 N LYS A 36 12.286 7.594 12.689 1.00 0.00 N ATOM 381 CA LYS A 36 10.897 8.018 12.586 1.00 0.00 C ATOM 382 C LYS A 36 10.294 7.524 11.270 1.00 0.00 C ATOM 383 O LYS A 36 10.248 8.264 10.286 1.00 0.00 O ATOM 384 CB LYS A 36 10.808 9.543 12.656 1.00 0.00 C ATOM 385 CG LYS A 36 11.798 10.057 13.701 1.00 0.00 C ATOM 386 CD LYS A 36 11.602 11.560 13.897 1.00 0.00 C ATOM 387 CE LYS A 36 12.318 12.002 15.174 1.00 0.00 C ATOM 388 NZ LYS A 36 12.099 13.461 15.382 1.00 0.00 N ATOM 0 H LYS A 36 12.821 7.685 11.825 1.00 0.00 H new ATOM 0 HA LYS A 36 10.337 7.590 13.417 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.031 9.977 11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.795 9.848 12.916 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.649 9.534 14.646 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.820 9.852 13.381 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.996 12.104 13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.539 11.794 13.963 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.941 11.441 16.029 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.384 11.790 15.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.585 13.765 16.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.479 13.988 14.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.080 13.650 15.471 1.00 0.00 H new ATOM 402 N PRO A 37 9.842 6.294 11.227 1.00 0.00 N ATOM 403 CA PRO A 37 9.243 5.699 9.999 1.00 0.00 C ATOM 404 C PRO A 37 7.861 6.266 9.685 1.00 0.00 C ATOM 405 O PRO A 37 7.147 6.722 10.576 1.00 0.00 O ATOM 406 CB PRO A 37 9.182 4.205 10.316 1.00 0.00 C ATOM 407 CG PRO A 37 9.068 4.134 11.796 1.00 0.00 C ATOM 408 CD PRO A 37 9.836 5.333 12.346 1.00 0.00 C ATOM 0 HA PRO A 37 9.829 5.922 9.108 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.328 3.732 9.831 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.075 3.689 9.963 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.024 4.166 12.107 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.484 3.200 12.173 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.349 5.749 13.228 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.848 5.058 12.642 1.00 0.00 H new ATOM 416 N TYR A 38 7.497 6.239 8.409 1.00 0.00 N ATOM 417 CA TYR A 38 6.205 6.755 7.982 1.00 0.00 C ATOM 418 C TYR A 38 5.149 5.664 8.087 1.00 0.00 C ATOM 419 O TYR A 38 5.448 4.529 8.456 1.00 0.00 O ATOM 420 CB TYR A 38 6.285 7.258 6.537 1.00 0.00 C ATOM 421 CG TYR A 38 7.329 8.346 6.443 1.00 0.00 C ATOM 422 CD1 TYR A 38 6.937 9.678 6.263 1.00 0.00 C ATOM 423 CD2 TYR A 38 8.689 8.024 6.545 1.00 0.00 C ATOM 424 CE1 TYR A 38 7.906 10.687 6.180 1.00 0.00 C ATOM 425 CE2 TYR A 38 9.657 9.030 6.460 1.00 0.00 C ATOM 426 CZ TYR A 38 9.266 10.363 6.278 1.00 0.00 C ATOM 427 OH TYR A 38 10.221 11.357 6.198 1.00 0.00 O ATOM 0 H TYR A 38 8.076 5.867 7.656 1.00 0.00 H new ATOM 0 HA TYR A 38 5.930 7.586 8.631 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.539 6.436 5.867 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.315 7.641 6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.889 9.928 6.188 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.990 6.997 6.690 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.605 11.715 6.040 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.705 8.779 6.535 1.00 0.00 H new ATOM 0 HH TYR A 38 10.637 11.482 7.076 1.00 0.00 H new ATOM 437 N SER A 39 3.914 6.013 7.758 1.00 0.00 N ATOM 438 CA SER A 39 2.821 5.053 7.816 1.00 0.00 C ATOM 439 C SER A 39 2.063 5.053 6.503 1.00 0.00 C ATOM 440 O SER A 39 1.746 6.113 5.981 1.00 0.00 O ATOM 441 CB SER A 39 1.873 5.415 8.953 1.00 0.00 C ATOM 442 OG SER A 39 1.776 6.830 9.048 1.00 0.00 O ATOM 0 H SER A 39 3.644 6.947 7.450 1.00 0.00 H new ATOM 0 HA SER A 39 3.232 4.059 7.993 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.889 4.982 8.774 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.237 5.000 9.893 1.00 0.00 H new ATOM 0 HG SER A 39 1.035 7.145 8.490 1.00 0.00 H new ATOM 448 N ASP A 40 1.784 3.859 5.979 1.00 0.00 N ATOM 449 CA ASP A 40 1.067 3.723 4.711 1.00 0.00 C ATOM 450 C ASP A 40 0.247 4.976 4.404 1.00 0.00 C ATOM 451 O ASP A 40 0.304 5.508 3.299 1.00 0.00 O ATOM 452 CB ASP A 40 0.143 2.508 4.765 1.00 0.00 C ATOM 453 CG ASP A 40 -0.884 2.687 5.878 1.00 0.00 C ATOM 454 OD1 ASP A 40 -1.879 1.983 5.859 1.00 0.00 O ATOM 455 OD2 ASP A 40 -0.658 3.526 6.734 1.00 0.00 O ATOM 0 H ASP A 40 2.043 2.973 6.413 1.00 0.00 H new ATOM 0 HA ASP A 40 1.803 3.591 3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.363 2.382 3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.726 1.604 4.938 1.00 0.00 H new ATOM 460 N GLN A 41 -0.495 5.459 5.390 1.00 0.00 N ATOM 461 CA GLN A 41 -1.301 6.655 5.203 1.00 0.00 C ATOM 462 C GLN A 41 -0.431 7.887 4.959 1.00 0.00 C ATOM 463 O GLN A 41 -0.663 8.646 4.016 1.00 0.00 O ATOM 464 CB GLN A 41 -2.178 6.870 6.439 1.00 0.00 C ATOM 465 CG GLN A 41 -2.828 8.250 6.369 1.00 0.00 C ATOM 466 CD GLN A 41 -3.553 8.413 5.041 1.00 0.00 C ATOM 467 OE1 GLN A 41 -4.581 7.777 4.810 1.00 0.00 O ATOM 468 NE2 GLN A 41 -3.054 9.208 4.135 1.00 0.00 N ATOM 0 H GLN A 41 -0.555 5.045 6.320 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.926 6.514 4.321 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.945 6.097 6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.576 6.785 7.344 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.530 8.374 7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.069 9.025 6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.202 9.733 4.331 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.516 9.304 3.231 1.00 0.00 H new ATOM 477 N GLU A 42 0.564 8.091 5.813 1.00 0.00 N ATOM 478 CA GLU A 42 1.441 9.241 5.673 1.00 0.00 C ATOM 479 C GLU A 42 2.229 9.184 4.372 1.00 0.00 C ATOM 480 O GLU A 42 2.274 10.159 3.623 1.00 0.00 O ATOM 481 CB GLU A 42 2.410 9.286 6.858 1.00 0.00 C ATOM 482 CG GLU A 42 1.823 10.122 8.001 1.00 0.00 C ATOM 483 CD GLU A 42 0.658 9.386 8.653 1.00 0.00 C ATOM 484 OE1 GLU A 42 0.292 8.334 8.156 1.00 0.00 O ATOM 485 OE2 GLU A 42 0.151 9.884 9.645 1.00 0.00 O ATOM 0 H GLU A 42 0.781 7.481 6.601 1.00 0.00 H new ATOM 0 HA GLU A 42 0.826 10.141 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.613 8.274 7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.362 9.711 6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.594 10.326 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.485 11.085 7.619 1.00 0.00 H new ATOM 492 N ILE A 43 2.832 8.037 4.103 1.00 0.00 N ATOM 493 CA ILE A 43 3.613 7.864 2.884 1.00 0.00 C ATOM 494 C ILE A 43 2.738 8.130 1.680 1.00 0.00 C ATOM 495 O ILE A 43 3.161 8.765 0.720 1.00 0.00 O ATOM 496 CB ILE A 43 4.185 6.446 2.795 1.00 0.00 C ATOM 497 CG1 ILE A 43 3.702 5.638 3.991 1.00 0.00 C ATOM 498 CG2 ILE A 43 5.714 6.509 2.806 1.00 0.00 C ATOM 499 CD1 ILE A 43 4.249 4.211 3.921 1.00 0.00 C ATOM 0 H ILE A 43 2.798 7.215 4.707 1.00 0.00 H new ATOM 0 HA ILE A 43 4.443 8.571 2.905 1.00 0.00 H new ATOM 0 HB ILE A 43 3.851 5.973 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.027 6.115 4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.612 5.617 4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.120 5.500 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.060 7.094 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.052 6.979 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.896 3.643 4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.902 3.733 3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.339 4.238 3.926 1.00 0.00 H new ATOM 511 N ALA A 44 1.509 7.654 1.741 1.00 0.00 N ATOM 512 CA ALA A 44 0.584 7.869 0.639 1.00 0.00 C ATOM 513 C ALA A 44 0.264 9.352 0.509 1.00 0.00 C ATOM 514 O ALA A 44 0.044 9.857 -0.593 1.00 0.00 O ATOM 515 CB ALA A 44 -0.710 7.080 0.848 1.00 0.00 C ATOM 0 H ALA A 44 1.130 7.125 2.526 1.00 0.00 H new ATOM 0 HA ALA A 44 1.060 7.518 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.384 7.258 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.481 6.016 0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.188 7.403 1.773 1.00 0.00 H new ATOM 521 N ASN A 45 0.216 10.042 1.646 1.00 0.00 N ATOM 522 CA ASN A 45 -0.103 11.471 1.641 1.00 0.00 C ATOM 523 C ASN A 45 0.983 12.287 0.953 1.00 0.00 C ATOM 524 O ASN A 45 0.701 13.097 0.072 1.00 0.00 O ATOM 525 CB ASN A 45 -0.281 11.967 3.076 1.00 0.00 C ATOM 526 CG ASN A 45 -0.537 13.471 3.090 1.00 0.00 C ATOM 527 OD1 ASN A 45 -1.239 13.993 2.224 1.00 0.00 O ATOM 528 ND2 ASN A 45 -0.002 14.203 4.030 1.00 0.00 N ATOM 0 H ASN A 45 0.390 9.645 2.569 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.030 11.603 1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.114 11.445 3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.610 11.738 3.660 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.165 15.210 4.048 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.579 13.768 4.746 1.00 0.00 H new ATOM 535 N ILE A 46 2.219 12.068 1.359 1.00 0.00 N ATOM 536 CA ILE A 46 3.346 12.785 0.778 1.00 0.00 C ATOM 537 C ILE A 46 3.523 12.402 -0.690 1.00 0.00 C ATOM 538 O ILE A 46 3.840 13.241 -1.527 1.00 0.00 O ATOM 539 CB ILE A 46 4.616 12.476 1.563 1.00 0.00 C ATOM 540 CG1 ILE A 46 4.376 12.775 3.045 1.00 0.00 C ATOM 541 CG2 ILE A 46 5.756 13.354 1.055 1.00 0.00 C ATOM 542 CD1 ILE A 46 4.874 11.601 3.879 1.00 0.00 C ATOM 0 H ILE A 46 2.472 11.401 2.088 1.00 0.00 H new ATOM 0 HA ILE A 46 3.148 13.855 0.832 1.00 0.00 H new ATOM 0 HB ILE A 46 4.878 11.426 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.897 13.688 3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.314 12.942 3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.664 13.133 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.926 13.154 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.494 14.404 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.706 11.808 4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.333 10.698 3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.940 11.456 3.703 1.00 0.00 H new ATOM 554 N LEU A 47 3.317 11.123 -0.984 1.00 0.00 N ATOM 555 CA LEU A 47 3.450 10.605 -2.341 1.00 0.00 C ATOM 556 C LEU A 47 2.451 11.264 -3.274 1.00 0.00 C ATOM 557 O LEU A 47 2.709 11.425 -4.469 1.00 0.00 O ATOM 558 CB LEU A 47 3.258 9.086 -2.337 1.00 0.00 C ATOM 559 CG LEU A 47 4.618 8.376 -2.227 1.00 0.00 C ATOM 560 CD1 LEU A 47 5.519 9.058 -1.190 1.00 0.00 C ATOM 561 CD2 LEU A 47 4.392 6.923 -1.815 1.00 0.00 C ATOM 0 H LEU A 47 3.055 10.420 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 47 4.451 10.837 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.620 8.796 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.750 8.774 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 47 5.112 8.426 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.473 8.533 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.691 10.094 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.034 9.032 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.352 6.414 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.884 6.893 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.778 6.424 -2.564 1.00 0.00 H new ATOM 573 N LYS A 48 1.315 11.649 -2.729 1.00 0.00 N ATOM 574 CA LYS A 48 0.296 12.297 -3.535 1.00 0.00 C ATOM 575 C LYS A 48 0.674 13.746 -3.805 1.00 0.00 C ATOM 576 O LYS A 48 0.065 14.408 -4.645 1.00 0.00 O ATOM 577 CB LYS A 48 -1.047 12.226 -2.807 1.00 0.00 C ATOM 578 CG LYS A 48 -1.385 13.589 -2.195 1.00 0.00 C ATOM 579 CD LYS A 48 -2.594 13.443 -1.278 1.00 0.00 C ATOM 580 CE LYS A 48 -2.930 14.806 -0.674 1.00 0.00 C ATOM 581 NZ LYS A 48 -4.101 14.676 0.237 1.00 0.00 N ATOM 0 H LYS A 48 1.074 11.528 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 48 0.215 11.782 -4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.831 11.926 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.006 11.467 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.532 13.970 -1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.597 14.312 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.447 13.059 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.382 12.723 -0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.071 15.193 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.151 15.521 -1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.327 15.605 0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.920 14.325 -0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.874 14.007 1.000 1.00 0.00 H new ATOM 595 N GLU A 49 1.669 14.242 -3.080 1.00 0.00 N ATOM 596 CA GLU A 49 2.095 15.622 -3.250 1.00 0.00 C ATOM 597 C GLU A 49 3.130 15.741 -4.363 1.00 0.00 C ATOM 598 O GLU A 49 3.372 16.832 -4.880 1.00 0.00 O ATOM 599 CB GLU A 49 2.690 16.146 -1.941 1.00 0.00 C ATOM 600 CG GLU A 49 1.596 16.225 -0.873 1.00 0.00 C ATOM 601 CD GLU A 49 2.191 16.701 0.449 1.00 0.00 C ATOM 602 OE1 GLU A 49 1.438 16.833 1.401 1.00 0.00 O ATOM 603 OE2 GLU A 49 3.389 16.925 0.492 1.00 0.00 O ATOM 0 H GLU A 49 2.189 13.716 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 49 1.223 16.217 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.492 15.489 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.130 17.131 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.811 16.909 -1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.133 15.247 -0.742 1.00 0.00 H new ATOM 610 N LYS A 50 3.756 14.623 -4.709 1.00 0.00 N ATOM 611 CA LYS A 50 4.781 14.626 -5.738 1.00 0.00 C ATOM 612 C LYS A 50 4.154 14.382 -7.098 1.00 0.00 C ATOM 613 O LYS A 50 4.113 15.271 -7.951 1.00 0.00 O ATOM 614 CB LYS A 50 5.778 13.506 -5.452 1.00 0.00 C ATOM 615 CG LYS A 50 5.996 13.376 -3.943 1.00 0.00 C ATOM 616 CD LYS A 50 6.846 14.535 -3.418 1.00 0.00 C ATOM 617 CE LYS A 50 6.695 14.622 -1.900 1.00 0.00 C ATOM 618 NZ LYS A 50 7.805 15.443 -1.337 1.00 0.00 N ATOM 0 H LYS A 50 3.572 13.710 -4.294 1.00 0.00 H new ATOM 0 HA LYS A 50 5.284 15.593 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.407 12.565 -5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.726 13.715 -5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.034 13.363 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.487 12.429 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.892 14.383 -3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.532 15.471 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.733 15.067 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.710 13.623 -1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.703 15.503 -0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.717 15.000 -1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.770 16.399 -1.744 1.00 0.00 H new ATOM 632 N GLY A 51 3.666 13.164 -7.290 1.00 0.00 N ATOM 633 CA GLY A 51 3.041 12.808 -8.560 1.00 0.00 C ATOM 634 C GLY A 51 2.725 11.322 -8.622 1.00 0.00 C ATOM 635 O GLY A 51 2.699 10.730 -9.701 1.00 0.00 O ATOM 0 H GLY A 51 3.689 12.416 -6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.124 13.383 -8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.705 13.076 -9.382 1.00 0.00 H new ATOM 639 N PHE A 52 2.484 10.720 -7.466 1.00 0.00 N ATOM 640 CA PHE A 52 2.174 9.300 -7.422 1.00 0.00 C ATOM 641 C PHE A 52 0.705 9.084 -7.089 1.00 0.00 C ATOM 642 O PHE A 52 0.183 7.984 -7.265 1.00 0.00 O ATOM 643 CB PHE A 52 3.020 8.620 -6.356 1.00 0.00 C ATOM 644 CG PHE A 52 4.475 8.919 -6.591 1.00 0.00 C ATOM 645 CD1 PHE A 52 5.142 8.332 -7.669 1.00 0.00 C ATOM 646 CD2 PHE A 52 5.161 9.782 -5.726 1.00 0.00 C ATOM 647 CE1 PHE A 52 6.491 8.606 -7.889 1.00 0.00 C ATOM 648 CE2 PHE A 52 6.516 10.057 -5.948 1.00 0.00 C ATOM 649 CZ PHE A 52 7.181 9.469 -7.030 1.00 0.00 C ATOM 0 H PHE A 52 2.497 11.185 -6.558 1.00 0.00 H new ATOM 0 HA PHE A 52 2.390 8.873 -8.401 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.723 8.968 -5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.853 7.543 -6.378 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.612 7.665 -8.333 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.646 10.234 -4.891 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.004 8.152 -8.724 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.048 10.723 -5.284 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.226 9.681 -7.202 1.00 0.00 H new ATOM 659 N LYS A 53 0.051 10.157 -6.634 1.00 0.00 N ATOM 660 CA LYS A 53 -1.361 10.120 -6.288 1.00 0.00 C ATOM 661 C LYS A 53 -1.823 8.694 -6.042 1.00 0.00 C ATOM 662 O LYS A 53 -2.861 8.260 -6.544 1.00 0.00 O ATOM 663 CB LYS A 53 -2.184 10.781 -7.399 1.00 0.00 C ATOM 664 CG LYS A 53 -1.461 10.674 -8.755 1.00 0.00 C ATOM 665 CD LYS A 53 -1.799 9.327 -9.403 1.00 0.00 C ATOM 666 CE LYS A 53 -3.285 9.277 -9.778 1.00 0.00 C ATOM 667 NZ LYS A 53 -3.856 10.653 -9.788 1.00 0.00 N ATOM 0 H LYS A 53 0.489 11.068 -6.498 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.511 10.677 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.162 10.305 -7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.356 11.829 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.766 11.492 -9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.384 10.763 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.187 9.180 -10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.563 8.515 -8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.405 8.818 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.827 8.655 -9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.772 10.645 -10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.991 10.980 -8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.204 11.296 -10.281 1.00 0.00 H new ATOM 681 N VAL A 54 -1.029 7.959 -5.270 1.00 0.00 N ATOM 682 CA VAL A 54 -1.364 6.576 -4.977 1.00 0.00 C ATOM 683 C VAL A 54 -2.155 6.477 -3.678 1.00 0.00 C ATOM 684 O VAL A 54 -1.868 7.172 -2.705 1.00 0.00 O ATOM 685 CB VAL A 54 -0.094 5.737 -4.881 1.00 0.00 C ATOM 686 CG1 VAL A 54 0.872 6.395 -3.898 1.00 0.00 C ATOM 687 CG2 VAL A 54 -0.459 4.328 -4.405 1.00 0.00 C ATOM 0 H VAL A 54 -0.165 8.293 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.983 6.193 -5.788 1.00 0.00 H new ATOM 0 HB VAL A 54 0.386 5.670 -5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.781 5.798 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.122 7.396 -4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.403 6.461 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.445 3.722 -4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.934 4.386 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.147 3.871 -5.116 1.00 0.00 H new ATOM 697 N ALA A 55 -3.156 5.606 -3.681 1.00 0.00 N ATOM 698 CA ALA A 55 -4.001 5.408 -2.512 1.00 0.00 C ATOM 699 C ALA A 55 -3.270 4.603 -1.443 1.00 0.00 C ATOM 700 O ALA A 55 -2.378 3.797 -1.743 1.00 0.00 O ATOM 701 CB ALA A 55 -5.292 4.688 -2.904 1.00 0.00 C ATOM 0 H ALA A 55 -3.402 5.025 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.246 6.389 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.913 4.547 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.834 5.286 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.050 3.717 -3.336 1.00 0.00 H new ATOM 707 N ARG A 56 -3.662 4.823 -0.195 1.00 0.00 N ATOM 708 CA ARG A 56 -3.050 4.118 0.918 1.00 0.00 C ATOM 709 C ARG A 56 -3.263 2.616 0.773 1.00 0.00 C ATOM 710 O ARG A 56 -2.525 1.810 1.335 1.00 0.00 O ATOM 711 CB ARG A 56 -3.663 4.600 2.237 1.00 0.00 C ATOM 712 CG ARG A 56 -3.127 3.749 3.386 1.00 0.00 C ATOM 713 CD ARG A 56 -4.184 2.730 3.815 1.00 0.00 C ATOM 714 NE ARG A 56 -5.361 3.413 4.332 1.00 0.00 N ATOM 715 CZ ARG A 56 -5.382 3.898 5.567 1.00 0.00 C ATOM 716 NH1 ARG A 56 -4.334 3.774 6.335 1.00 0.00 N ATOM 717 NH2 ARG A 56 -6.449 4.501 6.010 1.00 0.00 N ATOM 0 H ARG A 56 -4.396 5.480 0.069 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.980 4.325 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.419 5.649 2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.750 4.529 2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.218 3.234 3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.860 4.387 4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.461 2.104 2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.774 2.069 4.578 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.182 3.520 3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.499 3.304 5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.350 4.147 7.284 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.266 4.600 5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.467 4.874 6.959 1.00 0.00 H new ATOM 731 N ARG A 57 -4.279 2.249 0.016 1.00 0.00 N ATOM 732 CA ARG A 57 -4.589 0.850 -0.194 1.00 0.00 C ATOM 733 C ARG A 57 -3.480 0.154 -0.972 1.00 0.00 C ATOM 734 O ARG A 57 -3.135 -0.987 -0.685 1.00 0.00 O ATOM 735 CB ARG A 57 -5.898 0.738 -0.967 1.00 0.00 C ATOM 736 CG ARG A 57 -7.063 1.175 -0.069 1.00 0.00 C ATOM 737 CD ARG A 57 -8.372 1.134 -0.859 1.00 0.00 C ATOM 738 NE ARG A 57 -9.471 1.632 -0.037 1.00 0.00 N ATOM 739 CZ ARG A 57 -9.760 2.931 0.001 1.00 0.00 C ATOM 740 NH1 ARG A 57 -9.044 3.775 -0.691 1.00 0.00 N ATOM 741 NH2 ARG A 57 -10.752 3.364 0.730 1.00 0.00 N ATOM 0 H ARG A 57 -4.902 2.899 -0.463 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.682 0.365 0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.860 1.362 -1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.048 -0.288 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.131 0.519 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.886 2.183 0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.280 1.738 -1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.581 0.113 -1.179 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.024 0.977 0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.266 3.439 -1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.262 4.771 -0.664 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.310 2.706 1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.969 4.360 0.756 1.00 0.00 H new ATOM 755 N THR A 58 -2.932 0.841 -1.965 1.00 0.00 N ATOM 756 CA THR A 58 -1.885 0.275 -2.773 1.00 0.00 C ATOM 757 C THR A 58 -0.549 0.414 -2.080 1.00 0.00 C ATOM 758 O THR A 58 0.279 -0.496 -2.095 1.00 0.00 O ATOM 759 CB THR A 58 -1.839 0.998 -4.109 1.00 0.00 C ATOM 760 OG1 THR A 58 -3.164 1.238 -4.554 1.00 0.00 O ATOM 761 CG2 THR A 58 -1.107 0.136 -5.129 1.00 0.00 C ATOM 0 H THR A 58 -3.202 1.790 -2.223 1.00 0.00 H new ATOM 0 HA THR A 58 -2.090 -0.784 -2.928 1.00 0.00 H new ATOM 0 HB THR A 58 -1.313 1.946 -3.995 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.140 1.706 -5.415 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.074 0.655 -6.087 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.091 -0.053 -4.783 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.632 -0.812 -5.248 1.00 0.00 H new ATOM 769 N VAL A 59 -0.336 1.581 -1.494 1.00 0.00 N ATOM 770 CA VAL A 59 0.917 1.846 -0.825 1.00 0.00 C ATOM 771 C VAL A 59 1.121 0.869 0.328 1.00 0.00 C ATOM 772 O VAL A 59 2.247 0.475 0.627 1.00 0.00 O ATOM 773 CB VAL A 59 0.942 3.286 -0.305 1.00 0.00 C ATOM 774 CG1 VAL A 59 0.436 3.326 1.133 1.00 0.00 C ATOM 775 CG2 VAL A 59 2.373 3.830 -0.338 1.00 0.00 C ATOM 0 H VAL A 59 -1.008 2.348 -1.470 1.00 0.00 H new ATOM 0 HA VAL A 59 1.728 1.714 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 59 0.301 3.897 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.456 4.353 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.586 2.948 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.075 2.706 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.381 4.855 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.012 3.211 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.745 3.812 -1.362 1.00 0.00 H new ATOM 785 N ALA A 60 0.022 0.485 0.973 1.00 0.00 N ATOM 786 CA ALA A 60 0.083 -0.445 2.091 1.00 0.00 C ATOM 787 C ALA A 60 0.426 -1.852 1.610 1.00 0.00 C ATOM 788 O ALA A 60 1.200 -2.570 2.243 1.00 0.00 O ATOM 789 CB ALA A 60 -1.262 -0.467 2.816 1.00 0.00 C ATOM 0 H ALA A 60 -0.918 0.804 0.739 1.00 0.00 H new ATOM 0 HA ALA A 60 0.865 -0.112 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.213 -1.164 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.491 0.531 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.043 -0.784 2.125 1.00 0.00 H new ATOM 795 N LYS A 61 -0.161 -2.234 0.483 1.00 0.00 N ATOM 796 CA LYS A 61 0.076 -3.545 -0.098 1.00 0.00 C ATOM 797 C LYS A 61 1.506 -3.656 -0.606 1.00 0.00 C ATOM 798 O LYS A 61 2.131 -4.714 -0.519 1.00 0.00 O ATOM 799 CB LYS A 61 -0.918 -3.788 -1.235 1.00 0.00 C ATOM 800 CG LYS A 61 -2.318 -3.996 -0.651 1.00 0.00 C ATOM 801 CD LYS A 61 -3.306 -4.262 -1.787 1.00 0.00 C ATOM 802 CE LYS A 61 -4.714 -4.423 -1.214 1.00 0.00 C ATOM 803 NZ LYS A 61 -5.678 -4.663 -2.325 1.00 0.00 N ATOM 0 H LYS A 61 -0.807 -1.650 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.068 -4.305 0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.920 -2.939 -1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.619 -4.663 -1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.313 -4.834 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.624 -3.115 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.285 -3.439 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.018 -5.162 -2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.739 -5.255 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.997 -3.528 -0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.636 -4.773 -1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.661 -3.855 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.411 -5.529 -2.836 1.00 0.00 H new ATOM 817 N TYR A 62 2.006 -2.558 -1.157 1.00 0.00 N ATOM 818 CA TYR A 62 3.358 -2.535 -1.706 1.00 0.00 C ATOM 819 C TYR A 62 4.406 -2.686 -0.610 1.00 0.00 C ATOM 820 O TYR A 62 5.199 -3.625 -0.624 1.00 0.00 O ATOM 821 CB TYR A 62 3.587 -1.218 -2.449 1.00 0.00 C ATOM 822 CG TYR A 62 3.128 -1.357 -3.880 1.00 0.00 C ATOM 823 CD1 TYR A 62 2.029 -2.165 -4.202 1.00 0.00 C ATOM 824 CD2 TYR A 62 3.823 -0.689 -4.889 1.00 0.00 C ATOM 825 CE1 TYR A 62 1.634 -2.304 -5.540 1.00 0.00 C ATOM 826 CE2 TYR A 62 3.428 -0.820 -6.223 1.00 0.00 C ATOM 827 CZ TYR A 62 2.336 -1.630 -6.552 1.00 0.00 C ATOM 828 OH TYR A 62 1.951 -1.762 -7.871 1.00 0.00 O ATOM 0 H TYR A 62 1.500 -1.676 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 62 3.458 -3.376 -2.393 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.041 -0.412 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.643 -0.951 -2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.488 -2.679 -3.421 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.670 -0.068 -4.638 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.790 -2.929 -5.792 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.966 -0.296 -7.000 1.00 0.00 H new ATOM 0 HH TYR A 62 2.544 -1.228 -8.440 1.00 0.00 H new ATOM 838 N ARG A 63 4.409 -1.770 0.344 1.00 0.00 N ATOM 839 CA ARG A 63 5.380 -1.840 1.422 1.00 0.00 C ATOM 840 C ARG A 63 5.517 -3.274 1.923 1.00 0.00 C ATOM 841 O ARG A 63 6.573 -3.672 2.414 1.00 0.00 O ATOM 842 CB ARG A 63 4.955 -0.922 2.567 1.00 0.00 C ATOM 843 CG ARG A 63 3.550 -1.317 3.025 1.00 0.00 C ATOM 844 CD ARG A 63 3.211 -0.637 4.354 1.00 0.00 C ATOM 845 NE ARG A 63 2.331 -1.496 5.135 1.00 0.00 N ATOM 846 CZ ARG A 63 2.758 -2.665 5.601 1.00 0.00 C ATOM 847 NH1 ARG A 63 3.972 -3.067 5.344 1.00 0.00 N ATOM 848 NH2 ARG A 63 1.963 -3.410 6.314 1.00 0.00 N ATOM 0 H ARG A 63 3.762 -0.983 0.395 1.00 0.00 H new ATOM 0 HA ARG A 63 6.348 -1.511 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.658 -1.003 3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.966 0.118 2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.820 -1.032 2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.488 -2.399 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.125 -0.432 4.912 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.728 0.323 4.170 1.00 0.00 H new ATOM 0 HE ARG A 63 1.375 -1.196 5.327 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.595 -2.484 4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.299 -3.964 5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.013 -3.096 6.514 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.290 -4.307 6.672 1.00 0.00 H new ATOM 862 N GLU A 64 4.444 -4.044 1.792 1.00 0.00 N ATOM 863 CA GLU A 64 4.457 -5.433 2.228 1.00 0.00 C ATOM 864 C GLU A 64 5.032 -6.333 1.140 1.00 0.00 C ATOM 865 O GLU A 64 5.640 -7.363 1.430 1.00 0.00 O ATOM 866 CB GLU A 64 3.038 -5.884 2.576 1.00 0.00 C ATOM 867 CG GLU A 64 3.075 -7.315 3.117 1.00 0.00 C ATOM 868 CD GLU A 64 1.681 -7.737 3.567 1.00 0.00 C ATOM 869 OE1 GLU A 64 1.580 -8.748 4.243 1.00 0.00 O ATOM 870 OE2 GLU A 64 0.736 -7.044 3.230 1.00 0.00 O ATOM 0 H GLU A 64 3.560 -3.732 1.390 1.00 0.00 H new ATOM 0 HA GLU A 64 5.088 -5.511 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.604 -5.214 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.402 -5.834 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.439 -7.995 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.771 -7.379 3.953 1.00 0.00 H new ATOM 877 N MET A 65 4.833 -5.939 -0.114 1.00 0.00 N ATOM 878 CA MET A 65 5.333 -6.717 -1.236 1.00 0.00 C ATOM 879 C MET A 65 6.842 -6.572 -1.375 1.00 0.00 C ATOM 880 O MET A 65 7.547 -7.543 -1.652 1.00 0.00 O ATOM 881 CB MET A 65 4.624 -6.273 -2.525 1.00 0.00 C ATOM 882 CG MET A 65 5.479 -5.252 -3.289 1.00 0.00 C ATOM 883 SD MET A 65 4.556 -4.654 -4.727 1.00 0.00 S ATOM 884 CE MET A 65 4.642 -6.179 -5.700 1.00 0.00 C ATOM 0 H MET A 65 4.332 -5.090 -0.375 1.00 0.00 H new ATOM 0 HA MET A 65 5.120 -7.770 -1.054 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.432 -7.140 -3.157 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.656 -5.835 -2.281 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.739 -4.418 -2.637 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.415 -5.711 -3.608 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.742 -5.931 -6.757 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.504 -6.766 -5.381 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.732 -6.759 -5.548 1.00 0.00 H new ATOM 894 N LEU A 66 7.330 -5.351 -1.204 1.00 0.00 N ATOM 895 CA LEU A 66 8.758 -5.090 -1.335 1.00 0.00 C ATOM 896 C LEU A 66 9.549 -5.883 -0.313 1.00 0.00 C ATOM 897 O LEU A 66 10.456 -6.640 -0.658 1.00 0.00 O ATOM 898 CB LEU A 66 9.005 -3.596 -1.111 1.00 0.00 C ATOM 899 CG LEU A 66 8.802 -2.815 -2.435 1.00 0.00 C ATOM 900 CD1 LEU A 66 7.804 -1.651 -2.242 1.00 0.00 C ATOM 901 CD2 LEU A 66 10.156 -2.259 -2.926 1.00 0.00 C ATOM 0 H LEU A 66 6.765 -4.533 -0.977 1.00 0.00 H new ATOM 0 HA LEU A 66 9.083 -5.390 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.324 -3.218 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.018 -3.439 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 66 8.395 -3.501 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.679 -1.119 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.841 -2.047 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.187 -0.965 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.008 -1.711 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.569 -1.589 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.848 -3.084 -3.097 1.00 0.00 H new ATOM 913 N GLY A 67 9.191 -5.717 0.943 1.00 0.00 N ATOM 914 CA GLY A 67 9.871 -6.433 2.004 1.00 0.00 C ATOM 915 C GLY A 67 9.827 -5.658 3.311 1.00 0.00 C ATOM 916 O GLY A 67 10.771 -5.710 4.097 1.00 0.00 O ATOM 0 H GLY A 67 8.441 -5.099 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.407 -7.409 2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.908 -6.611 1.719 1.00 0.00 H new ATOM 920 N ILE A 68 8.730 -4.944 3.544 1.00 0.00 N ATOM 921 CA ILE A 68 8.596 -4.173 4.770 1.00 0.00 C ATOM 922 C ILE A 68 7.257 -4.472 5.459 1.00 0.00 C ATOM 923 O ILE A 68 6.210 -4.437 4.818 1.00 0.00 O ATOM 924 CB ILE A 68 8.687 -2.684 4.461 1.00 0.00 C ATOM 925 CG1 ILE A 68 9.982 -2.408 3.705 1.00 0.00 C ATOM 926 CG2 ILE A 68 8.690 -1.884 5.761 1.00 0.00 C ATOM 927 CD1 ILE A 68 9.646 -2.103 2.253 1.00 0.00 C ATOM 0 H ILE A 68 7.934 -4.885 2.910 1.00 0.00 H new ATOM 0 HA ILE A 68 9.406 -4.457 5.442 1.00 0.00 H new ATOM 0 HB ILE A 68 7.830 -2.389 3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.510 -1.567 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.646 -3.270 3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.755 -0.820 5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.770 -2.081 6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.547 -2.178 6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 68 10.565 -1.904 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 68 9.135 -2.958 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.997 -1.228 2.206 1.00 0.00 H new ATOM 939 N PRO A 69 7.268 -4.770 6.739 1.00 0.00 N ATOM 940 CA PRO A 69 6.019 -5.077 7.502 1.00 0.00 C ATOM 941 C PRO A 69 5.172 -3.830 7.738 1.00 0.00 C ATOM 942 O PRO A 69 3.956 -3.848 7.561 1.00 0.00 O ATOM 943 CB PRO A 69 6.535 -5.649 8.822 1.00 0.00 C ATOM 944 CG PRO A 69 7.894 -5.059 9.004 1.00 0.00 C ATOM 945 CD PRO A 69 8.462 -4.841 7.602 1.00 0.00 C ATOM 0 HA PRO A 69 5.365 -5.763 6.964 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.877 -5.383 9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.580 -6.738 8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.839 -4.118 9.551 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.533 -5.727 9.582 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.049 -3.924 7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.120 -5.658 7.307 1.00 0.00 H new ATOM 953 N SER A 70 5.834 -2.749 8.135 1.00 0.00 N ATOM 954 CA SER A 70 5.147 -1.482 8.389 1.00 0.00 C ATOM 955 C SER A 70 6.141 -0.351 8.640 1.00 0.00 C ATOM 956 O SER A 70 5.766 0.724 9.106 1.00 0.00 O ATOM 957 CB SER A 70 4.228 -1.615 9.596 1.00 0.00 C ATOM 958 OG SER A 70 4.993 -1.469 10.787 1.00 0.00 O ATOM 0 H SER A 70 6.842 -2.721 8.288 1.00 0.00 H new ATOM 0 HA SER A 70 4.561 -1.242 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.446 -0.857 9.557 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.732 -2.586 9.585 1.00 0.00 H new ATOM 0 HG SER A 70 4.420 -1.631 11.566 1.00 0.00 H new ATOM 964 N SER A 71 7.404 -0.602 8.332 1.00 0.00 N ATOM 965 CA SER A 71 8.449 0.395 8.528 1.00 0.00 C ATOM 966 C SER A 71 8.569 0.774 10.002 1.00 0.00 C ATOM 967 O SER A 71 9.492 1.486 10.394 1.00 0.00 O ATOM 968 CB SER A 71 8.137 1.642 7.703 1.00 0.00 C ATOM 969 OG SER A 71 7.617 1.252 6.439 1.00 0.00 O ATOM 0 H SER A 71 7.732 -1.487 7.945 1.00 0.00 H new ATOM 0 HA SER A 71 9.397 -0.033 8.201 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.416 2.268 8.228 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.039 2.239 7.569 1.00 0.00 H new ATOM 0 HG SER A 71 7.414 2.050 5.908 1.00 0.00 H new ATOM 975 N ARG A 72 7.636 0.290 10.814 1.00 0.00 N ATOM 976 CA ARG A 72 7.652 0.578 12.237 1.00 0.00 C ATOM 977 C ARG A 72 8.533 -0.429 12.966 1.00 0.00 C ATOM 978 O ARG A 72 9.203 -0.094 13.943 1.00 0.00 O ATOM 979 CB ARG A 72 6.229 0.532 12.798 1.00 0.00 C ATOM 980 CG ARG A 72 6.248 0.941 14.271 1.00 0.00 C ATOM 981 CD ARG A 72 4.827 0.887 14.836 1.00 0.00 C ATOM 982 NE ARG A 72 4.804 1.420 16.194 1.00 0.00 N ATOM 983 CZ ARG A 72 3.763 1.214 16.994 1.00 0.00 C ATOM 984 NH1 ARG A 72 2.744 0.518 16.571 1.00 0.00 N ATOM 985 NH2 ARG A 72 3.761 1.706 18.203 1.00 0.00 N ATOM 0 H ARG A 72 6.863 -0.301 10.509 1.00 0.00 H new ATOM 0 HA ARG A 72 8.060 1.577 12.389 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.582 1.202 12.232 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.818 -0.472 12.694 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.900 0.275 14.836 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.654 1.947 14.374 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.153 1.462 14.201 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.466 -0.142 14.835 1.00 0.00 H new ATOM 0 HE ARG A 72 5.600 1.959 16.535 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.747 0.132 15.627 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.945 0.360 17.185 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.559 2.249 18.534 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.962 1.548 18.817 1.00 0.00 H new ATOM 999 N GLU A 73 8.512 -1.670 12.489 1.00 0.00 N ATOM 1000 CA GLU A 73 9.304 -2.727 13.113 1.00 0.00 C ATOM 1001 C GLU A 73 10.785 -2.509 12.868 1.00 0.00 C ATOM 1002 O GLU A 73 11.613 -2.742 13.748 1.00 0.00 O ATOM 1003 CB GLU A 73 8.900 -4.092 12.567 1.00 0.00 C ATOM 1004 CG GLU A 73 7.387 -4.132 12.415 1.00 0.00 C ATOM 1005 CD GLU A 73 6.944 -5.508 11.936 1.00 0.00 C ATOM 1006 OE1 GLU A 73 5.748 -5.733 11.871 1.00 0.00 O ATOM 1007 OE2 GLU A 73 7.809 -6.318 11.645 1.00 0.00 O ATOM 0 H GLU A 73 7.963 -1.967 11.682 1.00 0.00 H new ATOM 0 HA GLU A 73 9.112 -2.695 14.186 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.381 -4.271 11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.232 -4.881 13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.912 -3.900 13.368 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.065 -3.370 11.705 1.00 0.00 H new ATOM 1014 N ARG A 74 11.114 -2.066 11.664 1.00 0.00 N ATOM 1015 CA ARG A 74 12.503 -1.826 11.314 1.00 0.00 C ATOM 1016 C ARG A 74 13.105 -0.752 12.206 1.00 0.00 C ATOM 1017 O ARG A 74 14.265 -0.850 12.608 1.00 0.00 O ATOM 1018 CB ARG A 74 12.619 -1.396 9.851 1.00 0.00 C ATOM 1019 CG ARG A 74 12.338 -2.591 8.939 1.00 0.00 C ATOM 1020 CD ARG A 74 12.460 -2.150 7.479 1.00 0.00 C ATOM 1021 NE ARG A 74 12.333 -3.298 6.588 1.00 0.00 N ATOM 1022 CZ ARG A 74 12.672 -3.214 5.304 1.00 0.00 C ATOM 1023 NH1 ARG A 74 13.097 -2.082 4.812 1.00 0.00 N ATOM 1024 NH2 ARG A 74 12.583 -4.265 4.535 1.00 0.00 N ATOM 0 H ARG A 74 10.445 -1.867 10.920 1.00 0.00 H new ATOM 0 HA ARG A 74 13.051 -2.757 11.460 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.913 -0.592 9.641 1.00 0.00 H new ATOM 0 HB3 ARG A 74 13.617 -1.003 9.655 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.042 -3.397 9.148 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.339 -2.983 9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.688 -1.416 7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.422 -1.662 7.319 1.00 0.00 H new ATOM 0 HE ARG A 74 11.978 -4.181 6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 74 13.170 -1.260 5.412 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.357 -2.019 3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.254 -5.151 4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.843 -4.200 3.551 1.00 0.00 H new