USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 444 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 NoAdj-H: A 152 HIS HD1 : A 152 HIS ND1 : A 182 ZNZN :(H bumps) USER MOD Set 1.1: A 146 HIS : no HE2:sc= -1.15 K(o=-0.82,f=-2.5!) USER MOD Set 1.2: A 172 SER OG : rot -108:sc= 0.335 USER MOD Set 2.1: A 143 HIS : no HE2:sc= 0.648 K(o=1.7,f=-3.8) USER MOD Set 2.2: A 153 SER OG : rot 171:sc= 1.1 USER MOD Single : A 126 CYS SG : rot -8:sc= 0.127 USER MOD Single : A 128 GLN : amide:sc= -1.16 K(o=-1.2,f=-3) USER MOD Single : A 131 ASN : amide:sc= -0.0441 X(o=-0.044,f=-0.2) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ -159:sc= -0.0697 (180deg=-0.421) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0.0419 USER MOD Single : A 164 MET CE :methyl -155:sc= 0 (180deg=-0.689) USER MOD Single : A 165 GLN : amide:sc= -1.28 K(o=-1.3,f=-7.3!) USER MOD Single : A 168 CYS SG : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.7) USER MOD Single : A 170 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 171 CYS SG : rot 180:sc= 0 USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 2.008 15.502 -6.059 1.00 0.00 N ATOM 2 CA ALA A 124 1.502 14.688 -4.923 1.00 0.00 C ATOM 3 C ALA A 124 0.624 13.545 -5.417 1.00 0.00 C ATOM 4 O ALA A 124 -0.384 13.768 -6.089 1.00 0.00 O ATOM 5 CB ALA A 124 0.727 15.565 -3.951 1.00 0.00 C ATOM 0 HA ALA A 124 2.360 14.258 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.362 14.957 -3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.381 16.347 -3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -0.118 16.021 -4.467 1.00 0.00 H new ATOM 11 N ILE A 125 1.012 12.320 -5.081 1.00 0.00 N ATOM 12 CA ILE A 125 0.260 11.139 -5.491 1.00 0.00 C ATOM 13 C ILE A 125 -0.622 10.629 -4.355 1.00 0.00 C ATOM 14 O ILE A 125 -0.312 10.822 -3.181 1.00 0.00 O ATOM 15 CB ILE A 125 1.198 10.005 -5.945 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.232 10.536 -6.939 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.394 8.869 -6.563 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.281 9.515 -7.322 1.00 0.00 C ATOM 0 H ILE A 125 1.843 12.118 -4.525 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.368 11.439 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 125 1.726 9.618 -5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.719 10.873 -7.840 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.725 11.407 -6.508 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.070 8.075 -6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.307 8.477 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.157 9.241 -7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.981 9.960 -8.029 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.820 9.195 -6.430 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.799 8.653 -7.783 1.00 0.00 H new ATOM 30 N CYS A 126 -1.724 9.978 -4.715 1.00 0.00 N ATOM 31 CA CYS A 126 -2.650 9.440 -3.726 1.00 0.00 C ATOM 32 C CYS A 126 -2.568 7.918 -3.675 1.00 0.00 C ATOM 33 O CYS A 126 -2.193 7.273 -4.653 1.00 0.00 O ATOM 34 CB CYS A 126 -4.081 9.874 -4.050 1.00 0.00 C ATOM 35 SG CYS A 126 -5.089 10.241 -2.594 1.00 0.00 S ATOM 0 H CYS A 126 -1.997 9.811 -5.684 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.369 9.834 -2.749 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.046 10.758 -4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.567 9.086 -4.626 1.00 0.00 H new ATOM 0 HG CYS A 126 -4.439 9.904 -1.520 1.00 0.00 H new ATOM 41 N CYS A 127 -2.921 7.350 -2.525 1.00 0.00 N ATOM 42 CA CYS A 127 -2.886 5.903 -2.345 1.00 0.00 C ATOM 43 C CYS A 127 -3.796 5.206 -3.352 1.00 0.00 C ATOM 44 O CYS A 127 -4.922 5.643 -3.591 1.00 0.00 O ATOM 45 CB CYS A 127 -3.306 5.536 -0.921 1.00 0.00 C ATOM 46 SG CYS A 127 -2.966 3.818 -0.473 1.00 0.00 S ATOM 0 H CYS A 127 -3.234 7.870 -1.705 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.863 5.566 -2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.790 6.192 -0.220 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.373 5.726 -0.808 1.00 0.00 H new ATOM 51 N GLN A 128 -3.301 4.121 -3.935 1.00 0.00 N ATOM 52 CA GLN A 128 -4.070 3.361 -4.915 1.00 0.00 C ATOM 53 C GLN A 128 -5.172 2.555 -4.235 1.00 0.00 C ATOM 54 O GLN A 128 -6.215 2.284 -4.832 1.00 0.00 O ATOM 55 CB GLN A 128 -3.151 2.425 -5.702 1.00 0.00 C ATOM 56 CG GLN A 128 -2.501 1.350 -4.846 1.00 0.00 C ATOM 57 CD GLN A 128 -1.567 0.459 -5.641 1.00 0.00 C ATOM 58 OE1 GLN A 128 -2.001 -0.489 -6.295 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.273 0.757 -5.586 1.00 0.00 N ATOM 0 H GLN A 128 -2.371 3.747 -3.747 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.533 4.068 -5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.726 1.948 -6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -2.371 3.015 -6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -1.945 1.822 -4.036 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -3.277 0.738 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 128 0.044 1.552 -5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 128 0.403 0.191 -6.098 1.00 0.00 H new ATOM 68 N VAL A 129 -4.936 2.173 -2.983 1.00 0.00 N ATOM 69 CA VAL A 129 -5.909 1.398 -2.224 1.00 0.00 C ATOM 70 C VAL A 129 -7.251 2.121 -2.147 1.00 0.00 C ATOM 71 O VAL A 129 -7.301 3.348 -2.062 1.00 0.00 O ATOM 72 CB VAL A 129 -5.410 1.115 -0.793 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.350 0.155 -0.079 1.00 0.00 C ATOM 74 CG2 VAL A 129 -3.990 0.565 -0.819 1.00 0.00 C ATOM 0 H VAL A 129 -4.079 2.388 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.038 0.452 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.399 2.054 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.981 -0.033 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.346 0.594 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.397 -0.785 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.656 0.372 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -3.970 -0.363 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.327 1.293 -1.286 1.00 0.00 H new ATOM 84 N ASP A 130 -8.333 1.352 -2.175 1.00 0.00 N ATOM 85 CA ASP A 130 -9.675 1.919 -2.108 1.00 0.00 C ATOM 86 C ASP A 130 -10.053 2.258 -0.669 1.00 0.00 C ATOM 87 O ASP A 130 -9.536 1.661 0.275 1.00 0.00 O ATOM 88 CB ASP A 130 -10.694 0.944 -2.699 1.00 0.00 C ATOM 89 CG ASP A 130 -11.785 1.650 -3.480 1.00 0.00 C ATOM 90 OD1 ASP A 130 -12.775 2.084 -2.855 1.00 0.00 O ATOM 91 OD2 ASP A 130 -11.649 1.768 -4.716 1.00 0.00 O ATOM 0 H ASP A 130 -8.308 0.335 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.682 2.839 -2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.181 0.239 -3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.145 0.363 -1.895 1.00 0.00 H new ATOM 96 N ASN A 131 -10.956 3.219 -0.512 1.00 0.00 N ATOM 97 CA ASN A 131 -11.404 3.637 0.811 1.00 0.00 C ATOM 98 C ASN A 131 -10.237 4.173 1.638 1.00 0.00 C ATOM 99 O ASN A 131 -10.235 4.076 2.865 1.00 0.00 O ATOM 100 CB ASN A 131 -12.070 2.467 1.539 1.00 0.00 C ATOM 101 CG ASN A 131 -13.572 2.644 1.662 1.00 0.00 C ATOM 102 OD1 ASN A 131 -14.053 3.706 2.054 1.00 0.00 O ATOM 103 ND2 ASN A 131 -14.318 1.599 1.326 1.00 0.00 N ATOM 0 H ASN A 131 -11.392 3.723 -1.284 1.00 0.00 H new ATOM 0 HA ASN A 131 -12.132 4.438 0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.858 1.541 1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -11.636 2.367 2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.334 1.657 1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.875 0.738 1.006 1.00 0.00 H new ATOM 110 N CYS A 132 -9.246 4.740 0.957 1.00 0.00 N ATOM 111 CA CYS A 132 -8.075 5.292 1.628 1.00 0.00 C ATOM 112 C CYS A 132 -7.703 6.649 1.043 1.00 0.00 C ATOM 113 O CYS A 132 -7.278 6.744 -0.108 1.00 0.00 O ATOM 114 CB CYS A 132 -6.891 4.332 1.510 1.00 0.00 C ATOM 115 SG CYS A 132 -5.474 4.780 2.542 1.00 0.00 S ATOM 0 H CYS A 132 -9.231 4.829 -0.059 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.321 5.425 2.681 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -7.221 3.329 1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.571 4.292 0.469 1.00 0.00 H new ATOM 120 N GLY A 133 -7.865 7.698 1.843 1.00 0.00 N ATOM 121 CA GLY A 133 -7.539 9.036 1.387 1.00 0.00 C ATOM 122 C GLY A 133 -6.146 9.466 1.800 1.00 0.00 C ATOM 123 O GLY A 133 -5.881 10.655 1.973 1.00 0.00 O ATOM 0 H GLY A 133 -8.216 7.645 2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.621 9.076 0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.267 9.741 1.788 1.00 0.00 H new ATOM 127 N ALA A 134 -5.252 8.495 1.960 1.00 0.00 N ATOM 128 CA ALA A 134 -3.879 8.776 2.355 1.00 0.00 C ATOM 129 C ALA A 134 -3.151 9.577 1.282 1.00 0.00 C ATOM 130 O ALA A 134 -3.137 9.196 0.111 1.00 0.00 O ATOM 131 CB ALA A 134 -3.137 7.479 2.642 1.00 0.00 C ATOM 0 H ALA A 134 -5.456 7.505 1.821 1.00 0.00 H new ATOM 0 HA ALA A 134 -3.905 9.377 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -2.112 7.704 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -3.637 6.945 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -3.130 6.858 1.746 1.00 0.00 H new ATOM 137 N ASP A 135 -2.546 10.687 1.688 1.00 0.00 N ATOM 138 CA ASP A 135 -1.813 11.541 0.762 1.00 0.00 C ATOM 139 C ASP A 135 -0.321 11.228 0.798 1.00 0.00 C ATOM 140 O ASP A 135 0.270 11.101 1.870 1.00 0.00 O ATOM 141 CB ASP A 135 -2.046 13.015 1.100 1.00 0.00 C ATOM 142 CG ASP A 135 -1.826 13.925 -0.093 1.00 0.00 C ATOM 143 OD1 ASP A 135 -2.090 13.485 -1.231 1.00 0.00 O ATOM 144 OD2 ASP A 135 -1.390 15.077 0.112 1.00 0.00 O ATOM 0 H ASP A 135 -2.549 11.017 2.653 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.183 11.344 -0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.064 13.144 1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.375 13.310 1.907 1.00 0.00 H new ATOM 149 N LEU A 136 0.280 11.103 -0.379 1.00 0.00 N ATOM 150 CA LEU A 136 1.704 10.804 -0.481 1.00 0.00 C ATOM 151 C LEU A 136 2.519 12.083 -0.654 1.00 0.00 C ATOM 152 O LEU A 136 3.444 12.137 -1.464 1.00 0.00 O ATOM 153 CB LEU A 136 1.963 9.854 -1.654 1.00 0.00 C ATOM 154 CG LEU A 136 1.082 8.605 -1.682 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.476 7.699 -2.839 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.178 7.855 -0.361 1.00 0.00 C ATOM 0 H LEU A 136 -0.196 11.204 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 136 2.016 10.321 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.819 10.403 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.007 9.543 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 136 0.048 8.917 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.838 6.815 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.356 8.237 -3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.516 7.395 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.544 6.969 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.211 7.555 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.847 8.503 0.450 1.00 0.00 H new ATOM 168 N SER A 137 2.168 13.107 0.115 1.00 0.00 N ATOM 169 CA SER A 137 2.866 14.386 0.050 1.00 0.00 C ATOM 170 C SER A 137 3.838 14.536 1.216 1.00 0.00 C ATOM 171 O SER A 137 4.873 15.190 1.095 1.00 0.00 O ATOM 172 CB SER A 137 1.862 15.540 0.056 1.00 0.00 C ATOM 173 OG SER A 137 2.362 16.655 -0.663 1.00 0.00 O ATOM 0 H SER A 137 1.405 13.077 0.791 1.00 0.00 H new ATOM 0 HA SER A 137 3.435 14.414 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.922 15.210 -0.386 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.646 15.833 1.083 1.00 0.00 H new ATOM 0 HG SER A 137 1.701 17.378 -0.646 1.00 0.00 H new ATOM 179 N LYS A 138 3.496 13.924 2.346 1.00 0.00 N ATOM 180 CA LYS A 138 4.339 13.988 3.534 1.00 0.00 C ATOM 181 C LYS A 138 5.206 12.739 3.658 1.00 0.00 C ATOM 182 O LYS A 138 5.562 12.326 4.761 1.00 0.00 O ATOM 183 CB LYS A 138 3.478 14.151 4.789 1.00 0.00 C ATOM 184 CG LYS A 138 4.171 14.907 5.910 1.00 0.00 C ATOM 185 CD LYS A 138 3.983 14.217 7.251 1.00 0.00 C ATOM 186 CE LYS A 138 4.903 14.800 8.311 1.00 0.00 C ATOM 187 NZ LYS A 138 6.338 14.561 7.994 1.00 0.00 N ATOM 0 H LYS A 138 2.642 13.379 2.463 1.00 0.00 H new ATOM 0 HA LYS A 138 4.994 14.854 3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.559 14.674 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.190 13.164 5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.235 14.991 5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.776 15.921 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.946 14.319 7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.180 13.150 7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.724 15.872 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.667 14.358 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 6.903 14.639 8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 6.451 13.608 7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 6.664 15.268 7.304 1.00 0.00 H new ATOM 201 N VAL A 139 5.541 12.140 2.520 1.00 0.00 N ATOM 202 CA VAL A 139 6.366 10.939 2.502 1.00 0.00 C ATOM 203 C VAL A 139 7.723 11.216 1.865 1.00 0.00 C ATOM 204 O VAL A 139 7.914 12.237 1.206 1.00 0.00 O ATOM 205 CB VAL A 139 5.676 9.793 1.740 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.466 9.289 2.514 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.276 10.242 0.344 1.00 0.00 C ATOM 0 H VAL A 139 5.253 12.467 1.598 1.00 0.00 H new ATOM 0 HA VAL A 139 6.509 10.638 3.540 1.00 0.00 H new ATOM 0 HB VAL A 139 6.384 8.970 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 139 3.991 8.479 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.785 8.923 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.754 10.104 2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.790 9.418 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.586 11.083 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.165 10.548 -0.208 1.00 0.00 H new ATOM 217 N LYS A 140 8.666 10.299 2.067 1.00 0.00 N ATOM 218 CA LYS A 140 10.006 10.446 1.514 1.00 0.00 C ATOM 219 C LYS A 140 10.015 10.163 0.017 1.00 0.00 C ATOM 220 O LYS A 140 10.208 11.065 -0.798 1.00 0.00 O ATOM 221 CB LYS A 140 10.981 9.509 2.230 1.00 0.00 C ATOM 222 CG LYS A 140 11.012 9.702 3.737 1.00 0.00 C ATOM 223 CD LYS A 140 12.401 9.448 4.304 1.00 0.00 C ATOM 224 CE LYS A 140 12.490 8.083 4.966 1.00 0.00 C ATOM 225 NZ LYS A 140 13.898 7.705 5.273 1.00 0.00 N ATOM 0 H LYS A 140 8.525 9.447 2.610 1.00 0.00 H new ATOM 0 HA LYS A 140 10.323 11.477 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.709 8.477 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.983 9.666 1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.698 10.717 3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 140 10.297 9.026 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 140 13.139 9.515 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 140 12.646 10.223 5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 140 11.906 8.087 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 140 12.047 7.332 4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 13.915 6.768 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 14.450 7.676 4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 14.313 8.407 5.918 1.00 0.00 H new ATOM 239 N ASP A 141 9.806 8.902 -0.336 1.00 0.00 N ATOM 240 CA ASP A 141 9.788 8.491 -1.736 1.00 0.00 C ATOM 241 C ASP A 141 9.468 7.005 -1.863 1.00 0.00 C ATOM 242 O ASP A 141 8.757 6.589 -2.778 1.00 0.00 O ATOM 243 CB ASP A 141 11.136 8.793 -2.395 1.00 0.00 C ATOM 244 CG ASP A 141 10.990 9.185 -3.853 1.00 0.00 C ATOM 245 OD1 ASP A 141 10.173 10.083 -4.146 1.00 0.00 O ATOM 246 OD2 ASP A 141 11.692 8.594 -4.699 1.00 0.00 O ATOM 0 H ASP A 141 9.646 8.144 0.328 1.00 0.00 H new ATOM 0 HA ASP A 141 9.008 9.057 -2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.631 9.599 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.779 7.916 -2.320 1.00 0.00 H new ATOM 251 N TYR A 142 10.000 6.207 -0.940 1.00 0.00 N ATOM 252 CA TYR A 142 9.772 4.765 -0.949 1.00 0.00 C ATOM 253 C TYR A 142 8.281 4.445 -1.022 1.00 0.00 C ATOM 254 O TYR A 142 7.883 3.406 -1.548 1.00 0.00 O ATOM 255 CB TYR A 142 10.382 4.125 0.300 1.00 0.00 C ATOM 256 CG TYR A 142 10.575 2.631 0.183 1.00 0.00 C ATOM 257 CD1 TYR A 142 9.544 1.751 0.490 1.00 0.00 C ATOM 258 CD2 TYR A 142 11.790 2.100 -0.232 1.00 0.00 C ATOM 259 CE1 TYR A 142 9.719 0.384 0.385 1.00 0.00 C ATOM 260 CE2 TYR A 142 11.972 0.734 -0.341 1.00 0.00 C ATOM 261 CZ TYR A 142 10.934 -0.119 -0.031 1.00 0.00 C ATOM 262 OH TYR A 142 11.111 -1.480 -0.138 1.00 0.00 O ATOM 0 H TYR A 142 10.592 6.535 -0.177 1.00 0.00 H new ATOM 0 HA TYR A 142 10.255 4.353 -1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.346 4.592 0.503 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.740 4.334 1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.591 2.141 0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 142 12.606 2.765 -0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 142 8.908 -0.287 0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 142 12.922 0.337 -0.667 1.00 0.00 H new ATOM 0 HH TYR A 142 12.023 -1.668 -0.445 1.00 0.00 H new ATOM 272 N HIS A 143 7.461 5.347 -0.492 1.00 0.00 N ATOM 273 CA HIS A 143 6.013 5.164 -0.497 1.00 0.00 C ATOM 274 C HIS A 143 5.376 5.881 -1.685 1.00 0.00 C ATOM 275 O HIS A 143 4.272 5.537 -2.107 1.00 0.00 O ATOM 276 CB HIS A 143 5.409 5.677 0.809 1.00 0.00 C ATOM 277 CG HIS A 143 5.644 4.769 1.977 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.175 5.202 3.172 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.414 3.443 2.126 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.265 4.181 4.007 1.00 0.00 C ATOM 281 NE2 HIS A 143 5.809 3.104 3.396 1.00 0.00 N ATOM 0 H HIS A 143 7.774 6.213 -0.053 1.00 0.00 H new ATOM 0 HA HIS A 143 5.807 4.098 -0.589 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.828 6.658 1.032 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.336 5.812 0.675 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.455 6.160 3.380 1.00 0.00 H new ATOM 0 HD2 HIS A 143 4.998 2.777 1.385 1.00 0.00 H new ATOM 0 HE1 HIS A 143 6.647 4.221 5.017 1.00 0.00 H new ATOM 289 N ARG A 144 6.075 6.879 -2.219 1.00 0.00 N ATOM 290 CA ARG A 144 5.572 7.642 -3.355 1.00 0.00 C ATOM 291 C ARG A 144 6.146 7.112 -4.666 1.00 0.00 C ATOM 292 O ARG A 144 6.378 7.873 -5.605 1.00 0.00 O ATOM 293 CB ARG A 144 5.923 9.122 -3.198 1.00 0.00 C ATOM 294 CG ARG A 144 4.965 10.054 -3.921 1.00 0.00 C ATOM 295 CD ARG A 144 5.705 11.019 -4.836 1.00 0.00 C ATOM 296 NE ARG A 144 6.424 12.043 -4.081 1.00 0.00 N ATOM 297 CZ ARG A 144 7.422 12.769 -4.582 1.00 0.00 C ATOM 298 NH1 ARG A 144 7.821 12.586 -5.836 1.00 0.00 N ATOM 299 NH2 ARG A 144 8.022 13.678 -3.828 1.00 0.00 N ATOM 0 H ARG A 144 6.991 7.177 -1.883 1.00 0.00 H new ATOM 0 HA ARG A 144 4.488 7.531 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 144 5.931 9.374 -2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 144 6.932 9.289 -3.574 1.00 0.00 H new ATOM 0 HG2 ARG A 144 4.258 9.467 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 144 4.384 10.617 -3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 144 6.409 10.464 -5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 144 4.994 11.497 -5.510 1.00 0.00 H new ATOM 0 HE ARG A 144 6.145 12.212 -3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 144 7.363 11.887 -6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 144 8.586 13.145 -6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 144 7.720 13.822 -2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 144 8.786 14.234 -4.211 1.00 0.00 H new ATOM 313 N ARG A 145 6.375 5.804 -4.724 1.00 0.00 N ATOM 314 CA ARG A 145 6.924 5.177 -5.921 1.00 0.00 C ATOM 315 C ARG A 145 5.926 4.199 -6.534 1.00 0.00 C ATOM 316 O ARG A 145 5.734 4.175 -7.749 1.00 0.00 O ATOM 317 CB ARG A 145 8.229 4.452 -5.589 1.00 0.00 C ATOM 318 CG ARG A 145 9.164 4.308 -6.780 1.00 0.00 C ATOM 319 CD ARG A 145 9.537 2.855 -7.030 1.00 0.00 C ATOM 320 NE ARG A 145 9.584 2.539 -8.455 1.00 0.00 N ATOM 321 CZ ARG A 145 10.595 2.868 -9.255 1.00 0.00 C ATOM 322 NH1 ARG A 145 11.643 3.523 -8.775 1.00 0.00 N ATOM 323 NH2 ARG A 145 10.557 2.542 -10.540 1.00 0.00 N ATOM 0 H ARG A 145 6.189 5.158 -3.957 1.00 0.00 H new ATOM 0 HA ARG A 145 7.127 5.962 -6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.745 4.994 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 145 7.996 3.461 -5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 145 8.686 4.719 -7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 145 10.068 4.891 -6.605 1.00 0.00 H new ATOM 0 HD2 ARG A 145 10.508 2.648 -6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 145 8.813 2.205 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 145 8.795 2.036 -8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 145 11.677 3.777 -7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 145 12.415 3.773 -9.393 1.00 0.00 H new ATOM 0 HH21 ARG A 145 9.753 2.039 -10.915 1.00 0.00 H new ATOM 0 HH22 ARG A 145 11.332 2.794 -11.153 1.00 0.00 H new ATOM 337 N HIS A 146 5.297 3.391 -5.686 1.00 0.00 N ATOM 338 CA HIS A 146 4.322 2.410 -6.149 1.00 0.00 C ATOM 339 C HIS A 146 2.900 2.832 -5.787 1.00 0.00 C ATOM 340 O HIS A 146 1.998 1.999 -5.711 1.00 0.00 O ATOM 341 CB HIS A 146 4.625 1.037 -5.547 1.00 0.00 C ATOM 342 CG HIS A 146 6.045 0.601 -5.740 1.00 0.00 C ATOM 343 ND1 HIS A 146 6.478 -0.076 -6.861 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.133 0.747 -4.947 1.00 0.00 C ATOM 345 CE1 HIS A 146 7.770 -0.327 -6.748 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.192 0.162 -5.597 1.00 0.00 N ATOM 0 H HIS A 146 5.445 3.396 -4.677 1.00 0.00 H new ATOM 0 HA HIS A 146 4.396 2.351 -7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.402 1.059 -4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 146 3.962 0.298 -5.996 1.00 0.00 H new ATOM 0 HD1 HIS A 146 5.892 -0.341 -7.653 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.162 1.233 -3.983 1.00 0.00 H new ATOM 0 HE1 HIS A 146 8.378 -0.845 -7.475 1.00 0.00 H new ATOM 354 N LYS A 147 2.705 4.130 -5.564 1.00 0.00 N ATOM 355 CA LYS A 147 1.391 4.658 -5.211 1.00 0.00 C ATOM 356 C LYS A 147 0.796 3.905 -4.024 1.00 0.00 C ATOM 357 O LYS A 147 -0.052 3.030 -4.194 1.00 0.00 O ATOM 358 CB LYS A 147 0.445 4.569 -6.410 1.00 0.00 C ATOM 359 CG LYS A 147 0.968 5.274 -7.652 1.00 0.00 C ATOM 360 CD LYS A 147 0.586 4.526 -8.920 1.00 0.00 C ATOM 361 CE LYS A 147 1.717 4.543 -9.938 1.00 0.00 C ATOM 362 NZ LYS A 147 1.787 3.274 -10.712 1.00 0.00 N ATOM 0 H LYS A 147 3.440 4.834 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 147 1.514 5.703 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.268 3.520 -6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.518 5.001 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.569 6.287 -7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 147 2.053 5.361 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 147 0.332 3.495 -8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 147 -0.305 4.978 -9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 147 1.576 5.379 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 147 2.665 4.708 -9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 2.570 3.326 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 1.947 2.479 -10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 0.892 3.129 -11.222 1.00 0.00 H new ATOM 376 N VAL A 148 1.247 4.251 -2.824 1.00 0.00 N ATOM 377 CA VAL A 148 0.761 3.607 -1.610 1.00 0.00 C ATOM 378 C VAL A 148 1.224 4.361 -0.366 1.00 0.00 C ATOM 379 O VAL A 148 2.333 4.893 -0.329 1.00 0.00 O ATOM 380 CB VAL A 148 1.236 2.143 -1.522 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.754 2.071 -1.481 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.629 1.454 -0.307 1.00 0.00 C ATOM 0 H VAL A 148 1.949 4.974 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.328 3.623 -1.655 1.00 0.00 H new ATOM 0 HB VAL A 148 0.896 1.619 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.067 1.029 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.164 2.520 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.121 2.613 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.976 0.422 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.934 1.979 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.458 1.468 -0.386 1.00 0.00 H new ATOM 392 N CYS A 149 0.367 4.404 0.648 1.00 0.00 N ATOM 393 CA CYS A 149 0.691 5.093 1.892 1.00 0.00 C ATOM 394 C CYS A 149 1.521 4.200 2.811 1.00 0.00 C ATOM 395 O CYS A 149 1.893 3.088 2.439 1.00 0.00 O ATOM 396 CB CYS A 149 -0.592 5.541 2.602 1.00 0.00 C ATOM 397 SG CYS A 149 -1.563 4.191 3.312 1.00 0.00 S ATOM 0 H CYS A 149 -0.556 3.971 0.633 1.00 0.00 H new ATOM 0 HA CYS A 149 1.284 5.974 1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.328 6.239 3.396 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.214 6.086 1.892 1.00 0.00 H new ATOM 402 N GLU A 150 1.814 4.699 4.007 1.00 0.00 N ATOM 403 CA GLU A 150 2.605 3.950 4.976 1.00 0.00 C ATOM 404 C GLU A 150 1.781 2.842 5.626 1.00 0.00 C ATOM 405 O GLU A 150 2.320 1.814 6.033 1.00 0.00 O ATOM 406 CB GLU A 150 3.145 4.895 6.049 1.00 0.00 C ATOM 407 CG GLU A 150 2.102 5.849 6.605 1.00 0.00 C ATOM 408 CD GLU A 150 2.527 6.476 7.920 1.00 0.00 C ATOM 409 OE1 GLU A 150 3.625 7.069 7.968 1.00 0.00 O ATOM 410 OE2 GLU A 150 1.761 6.373 8.902 1.00 0.00 O ATOM 0 H GLU A 150 1.515 5.620 4.329 1.00 0.00 H new ATOM 0 HA GLU A 150 3.438 3.486 4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 150 3.556 4.304 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.967 5.474 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 150 1.910 6.637 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 150 1.164 5.313 6.749 1.00 0.00 H new ATOM 417 N ILE A 151 0.473 3.059 5.722 1.00 0.00 N ATOM 418 CA ILE A 151 -0.421 2.077 6.326 1.00 0.00 C ATOM 419 C ILE A 151 -0.406 0.764 5.547 1.00 0.00 C ATOM 420 O ILE A 151 0.085 -0.254 6.035 1.00 0.00 O ATOM 421 CB ILE A 151 -1.869 2.603 6.401 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.901 3.982 7.063 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.752 1.625 7.162 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.279 4.006 8.442 1.00 0.00 C ATOM 0 H ILE A 151 0.009 3.905 5.390 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.056 1.899 7.337 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.256 2.698 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.378 4.694 6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -2.936 4.318 7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.770 2.012 7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.751 0.662 6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.368 1.500 8.174 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.337 5.015 8.850 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.816 3.319 9.096 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.235 3.701 8.375 1.00 0.00 H new ATOM 436 N HIS A 152 -0.953 0.795 4.336 1.00 0.00 N ATOM 437 CA HIS A 152 -1.009 -0.392 3.489 1.00 0.00 C ATOM 438 C HIS A 152 0.390 -0.913 3.168 1.00 0.00 C ATOM 439 O HIS A 152 0.551 -2.069 2.775 1.00 0.00 O ATOM 440 CB HIS A 152 -1.761 -0.080 2.195 1.00 0.00 C ATOM 441 CG HIS A 152 -3.226 0.160 2.400 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.807 1.405 2.302 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.230 -0.697 2.707 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.103 1.307 2.540 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.385 0.041 2.787 1.00 0.00 N ATOM 0 H HIS A 152 -1.364 1.630 3.919 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.541 -1.170 4.037 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.318 0.800 1.730 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.630 -0.908 1.499 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.139 -1.762 2.860 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.811 2.123 2.534 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.311 -0.329 3.002 1.00 0.00 H new ATOM 452 N SER A 153 1.398 -0.062 3.334 1.00 0.00 N ATOM 453 CA SER A 153 2.778 -0.449 3.060 1.00 0.00 C ATOM 454 C SER A 153 3.166 -1.696 3.850 1.00 0.00 C ATOM 455 O SER A 153 4.003 -2.485 3.411 1.00 0.00 O ATOM 456 CB SER A 153 3.730 0.699 3.399 1.00 0.00 C ATOM 457 OG SER A 153 5.076 0.339 3.142 1.00 0.00 O ATOM 0 H SER A 153 1.285 0.899 3.657 1.00 0.00 H new ATOM 0 HA SER A 153 2.857 -0.677 1.997 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.467 1.579 2.812 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.617 0.971 4.448 1.00 0.00 H new ATOM 0 HG SER A 153 5.648 1.131 3.223 1.00 0.00 H new ATOM 463 N LYS A 154 2.552 -1.867 5.016 1.00 0.00 N ATOM 464 CA LYS A 154 2.834 -3.021 5.866 1.00 0.00 C ATOM 465 C LYS A 154 1.568 -3.497 6.573 1.00 0.00 C ATOM 466 O LYS A 154 1.626 -4.009 7.692 1.00 0.00 O ATOM 467 CB LYS A 154 3.909 -2.670 6.896 1.00 0.00 C ATOM 468 CG LYS A 154 5.321 -2.991 6.432 1.00 0.00 C ATOM 469 CD LYS A 154 6.097 -3.760 7.489 1.00 0.00 C ATOM 470 CE LYS A 154 7.543 -3.301 7.567 1.00 0.00 C ATOM 471 NZ LYS A 154 8.252 -3.889 8.738 1.00 0.00 N ATOM 0 H LYS A 154 1.857 -1.223 5.395 1.00 0.00 H new ATOM 0 HA LYS A 154 3.199 -3.829 5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.844 -1.607 7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.707 -3.212 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.278 -3.576 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.846 -2.065 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 154 5.620 -3.627 8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 154 6.065 -4.825 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 154 8.062 -3.581 6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 154 7.575 -2.213 7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 9.235 -3.551 8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 7.772 -3.601 9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 8.244 -4.926 8.664 1.00 0.00 H new ATOM 485 N ALA A 155 0.427 -3.326 5.913 1.00 0.00 N ATOM 486 CA ALA A 155 -0.853 -3.739 6.478 1.00 0.00 C ATOM 487 C ALA A 155 -1.282 -5.095 5.931 1.00 0.00 C ATOM 488 O ALA A 155 -1.025 -5.415 4.771 1.00 0.00 O ATOM 489 CB ALA A 155 -1.919 -2.692 6.194 1.00 0.00 C ATOM 0 H ALA A 155 0.362 -2.904 4.986 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.732 -3.833 7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.868 -3.014 6.622 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.624 -1.742 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -2.030 -2.568 5.117 1.00 0.00 H new ATOM 495 N THR A 156 -1.937 -5.887 6.774 1.00 0.00 N ATOM 496 CA THR A 156 -2.403 -7.209 6.374 1.00 0.00 C ATOM 497 C THR A 156 -3.458 -7.112 5.279 1.00 0.00 C ATOM 498 O THR A 156 -3.289 -7.657 4.189 1.00 0.00 O ATOM 499 CB THR A 156 -2.989 -7.983 7.569 1.00 0.00 C ATOM 500 OG1 THR A 156 -2.388 -7.530 8.789 1.00 0.00 O ATOM 501 CG2 THR A 156 -2.761 -9.478 7.410 1.00 0.00 C ATOM 0 H THR A 156 -2.157 -5.636 7.738 1.00 0.00 H new ATOM 0 HA THR A 156 -1.536 -7.748 5.992 1.00 0.00 H new ATOM 0 HB THR A 156 -4.063 -7.797 7.602 1.00 0.00 H new ATOM 0 HG1 THR A 156 -2.767 -8.026 9.544 1.00 0.00 H new ATOM 0 HG21 THR A 156 -3.184 -10.004 8.266 1.00 0.00 H new ATOM 0 HG22 THR A 156 -3.244 -9.825 6.497 1.00 0.00 H new ATOM 0 HG23 THR A 156 -1.691 -9.679 7.353 1.00 0.00 H new ATOM 509 N THR A 157 -4.550 -6.413 5.577 1.00 0.00 N ATOM 510 CA THR A 157 -5.634 -6.244 4.618 1.00 0.00 C ATOM 511 C THR A 157 -5.449 -4.974 3.795 1.00 0.00 C ATOM 512 O THR A 157 -4.794 -4.029 4.234 1.00 0.00 O ATOM 513 CB THR A 157 -7.003 -6.191 5.322 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.893 -5.466 6.553 1.00 0.00 O ATOM 515 CG2 THR A 157 -7.525 -7.592 5.597 1.00 0.00 C ATOM 0 H THR A 157 -4.706 -5.955 6.475 1.00 0.00 H new ATOM 0 HA THR A 157 -5.607 -7.109 3.956 1.00 0.00 H new ATOM 0 HB THR A 157 -7.706 -5.682 4.663 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.768 -5.435 6.994 1.00 0.00 H new ATOM 0 HG21 THR A 157 -8.493 -7.529 6.095 1.00 0.00 H new ATOM 0 HG22 THR A 157 -7.636 -8.130 4.656 1.00 0.00 H new ATOM 0 HG23 THR A 157 -6.821 -8.123 6.238 1.00 0.00 H new ATOM 523 N ALA A 158 -6.028 -4.959 2.599 1.00 0.00 N ATOM 524 CA ALA A 158 -5.925 -3.805 1.713 1.00 0.00 C ATOM 525 C ALA A 158 -6.870 -3.940 0.525 1.00 0.00 C ATOM 526 O ALA A 158 -6.638 -4.746 -0.377 1.00 0.00 O ATOM 527 CB ALA A 158 -4.492 -3.631 1.236 1.00 0.00 C ATOM 0 H ALA A 158 -6.574 -5.733 2.221 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.217 -2.918 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.431 -2.766 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.839 -3.479 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.178 -4.523 0.695 1.00 0.00 H new ATOM 533 N LEU A 159 -7.937 -3.148 0.528 1.00 0.00 N ATOM 534 CA LEU A 159 -8.918 -3.179 -0.551 1.00 0.00 C ATOM 535 C LEU A 159 -8.436 -2.371 -1.750 1.00 0.00 C ATOM 536 O LEU A 159 -8.753 -1.189 -1.882 1.00 0.00 O ATOM 537 CB LEU A 159 -10.261 -2.635 -0.061 1.00 0.00 C ATOM 538 CG LEU A 159 -11.490 -3.223 -0.757 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.373 -3.073 -2.265 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.668 -4.685 -0.376 1.00 0.00 C ATOM 0 H LEU A 159 -8.145 -2.476 1.267 1.00 0.00 H new ATOM 0 HA LEU A 159 -9.045 -4.216 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -10.343 -2.824 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.269 -1.553 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.370 -2.672 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -12.256 -3.497 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.294 -2.016 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.484 -3.598 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.547 -5.088 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.786 -5.250 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.799 -4.766 0.703 1.00 0.00 H new ATOM 552 N VAL A 160 -7.667 -3.016 -2.622 1.00 0.00 N ATOM 553 CA VAL A 160 -7.141 -2.358 -3.811 1.00 0.00 C ATOM 554 C VAL A 160 -7.723 -2.970 -5.081 1.00 0.00 C ATOM 555 O VAL A 160 -7.338 -4.067 -5.486 1.00 0.00 O ATOM 556 CB VAL A 160 -5.603 -2.445 -3.870 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.063 -1.621 -5.029 1.00 0.00 C ATOM 558 CG2 VAL A 160 -4.991 -1.991 -2.554 1.00 0.00 C ATOM 0 H VAL A 160 -7.395 -3.994 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.435 -1.310 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.324 -3.486 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -3.976 -1.696 -5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.473 -1.998 -5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.352 -0.578 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.905 -2.060 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.279 -0.959 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.350 -2.629 -1.746 1.00 0.00 H new ATOM 568 N GLY A 161 -8.651 -2.253 -5.706 1.00 0.00 N ATOM 569 CA GLY A 161 -9.271 -2.744 -6.924 1.00 0.00 C ATOM 570 C GLY A 161 -10.573 -3.474 -6.661 1.00 0.00 C ATOM 571 O GLY A 161 -11.541 -3.318 -7.406 1.00 0.00 O ATOM 0 H GLY A 161 -8.985 -1.342 -5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.458 -1.906 -7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.580 -3.414 -7.435 1.00 0.00 H new ATOM 575 N GLY A 162 -10.597 -4.274 -5.599 1.00 0.00 N ATOM 576 CA GLY A 162 -11.795 -5.019 -5.260 1.00 0.00 C ATOM 577 C GLY A 162 -11.514 -6.170 -4.315 1.00 0.00 C ATOM 578 O GLY A 162 -12.381 -6.568 -3.536 1.00 0.00 O ATOM 0 H GLY A 162 -9.809 -4.419 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.520 -4.346 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.250 -5.405 -6.172 1.00 0.00 H new ATOM 582 N ILE A 163 -10.300 -6.707 -4.382 1.00 0.00 N ATOM 583 CA ILE A 163 -9.906 -7.820 -3.527 1.00 0.00 C ATOM 584 C ILE A 163 -8.855 -7.385 -2.514 1.00 0.00 C ATOM 585 O ILE A 163 -8.062 -6.479 -2.775 1.00 0.00 O ATOM 586 CB ILE A 163 -9.354 -8.997 -4.352 1.00 0.00 C ATOM 587 CG1 ILE A 163 -10.314 -9.349 -5.490 1.00 0.00 C ATOM 588 CG2 ILE A 163 -9.118 -10.206 -3.459 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.644 -10.055 -6.649 1.00 0.00 C ATOM 0 H ILE A 163 -9.571 -6.388 -5.021 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.802 -8.148 -3.000 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.400 -8.698 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -11.110 -9.983 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.784 -8.435 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.728 -11.029 -4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -8.398 -9.949 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -10.059 -10.507 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -10.384 -10.274 -7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.867 -9.414 -7.065 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -9.198 -10.986 -6.299 1.00 0.00 H new ATOM 601 N MET A 164 -8.851 -8.037 -1.356 1.00 0.00 N ATOM 602 CA MET A 164 -7.896 -7.721 -0.302 1.00 0.00 C ATOM 603 C MET A 164 -6.519 -8.289 -0.626 1.00 0.00 C ATOM 604 O MET A 164 -6.400 -9.420 -1.100 1.00 0.00 O ATOM 605 CB MET A 164 -8.384 -8.269 1.040 1.00 0.00 C ATOM 606 CG MET A 164 -9.630 -7.573 1.563 1.00 0.00 C ATOM 607 SD MET A 164 -9.250 -6.089 2.513 1.00 0.00 S ATOM 608 CE MET A 164 -10.826 -5.780 3.306 1.00 0.00 C ATOM 0 H MET A 164 -9.500 -8.789 -1.124 1.00 0.00 H new ATOM 0 HA MET A 164 -7.814 -6.636 -0.235 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.590 -9.334 0.935 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.586 -8.169 1.776 1.00 0.00 H new ATOM 0 HG2 MET A 164 -10.272 -7.308 0.723 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.193 -8.266 2.189 1.00 0.00 H new ATOM 0 HE1 MET A 164 -10.909 -4.721 3.551 1.00 0.00 H new ATOM 0 HE2 MET A 164 -11.634 -6.061 2.631 1.00 0.00 H new ATOM 0 HE3 MET A 164 -10.895 -6.370 4.220 1.00 0.00 H new ATOM 618 N GLN A 165 -5.482 -7.500 -0.369 1.00 0.00 N ATOM 619 CA GLN A 165 -4.113 -7.927 -0.635 1.00 0.00 C ATOM 620 C GLN A 165 -3.155 -7.365 0.411 1.00 0.00 C ATOM 621 O GLN A 165 -3.558 -6.601 1.289 1.00 0.00 O ATOM 622 CB GLN A 165 -3.679 -7.482 -2.033 1.00 0.00 C ATOM 623 CG GLN A 165 -3.987 -6.024 -2.331 1.00 0.00 C ATOM 624 CD GLN A 165 -4.466 -5.808 -3.753 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.675 -5.523 -4.652 1.00 0.00 O ATOM 626 NE2 GLN A 165 -5.770 -5.943 -3.965 1.00 0.00 N ATOM 0 H GLN A 165 -5.563 -6.562 0.023 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.082 -9.015 -0.583 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.607 -7.648 -2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.175 -8.108 -2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -4.749 -5.668 -1.637 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.093 -5.425 -2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -6.391 -6.180 -3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -6.151 -5.810 -4.902 1.00 0.00 H new ATOM 635 N ARG A 166 -1.887 -7.749 0.312 1.00 0.00 N ATOM 636 CA ARG A 166 -0.872 -7.284 1.250 1.00 0.00 C ATOM 637 C ARG A 166 0.342 -6.733 0.507 1.00 0.00 C ATOM 638 O ARG A 166 0.869 -7.373 -0.403 1.00 0.00 O ATOM 639 CB ARG A 166 -0.443 -8.423 2.177 1.00 0.00 C ATOM 640 CG ARG A 166 -0.162 -7.975 3.601 1.00 0.00 C ATOM 641 CD ARG A 166 0.258 -9.141 4.480 1.00 0.00 C ATOM 642 NE ARG A 166 0.719 -8.699 5.794 1.00 0.00 N ATOM 643 CZ ARG A 166 1.931 -8.199 6.025 1.00 0.00 C ATOM 644 NH1 ARG A 166 2.806 -8.077 5.035 1.00 0.00 N ATOM 645 NH2 ARG A 166 2.268 -7.821 7.251 1.00 0.00 N ATOM 0 H ARG A 166 -1.538 -8.381 -0.408 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.305 -6.482 1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -1.225 -9.182 2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.452 -8.894 1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 166 0.624 -7.220 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -1.053 -7.506 4.018 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -0.583 -9.824 4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 166 1.053 -9.699 3.986 1.00 0.00 H new ATOM 0 HE ARG A 166 0.074 -8.778 6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 166 2.552 -8.367 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 166 3.733 -7.693 5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 166 1.599 -7.914 8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 166 3.196 -7.438 7.429 1.00 0.00 H new ATOM 659 N PHE A 167 0.782 -5.543 0.902 1.00 0.00 N ATOM 660 CA PHE A 167 1.935 -4.907 0.275 1.00 0.00 C ATOM 661 C PHE A 167 3.236 -5.415 0.886 1.00 0.00 C ATOM 662 O PHE A 167 3.628 -4.998 1.976 1.00 0.00 O ATOM 663 CB PHE A 167 1.846 -3.386 0.426 1.00 0.00 C ATOM 664 CG PHE A 167 2.802 -2.641 -0.463 1.00 0.00 C ATOM 665 CD1 PHE A 167 2.445 -2.304 -1.759 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.056 -2.277 0.000 1.00 0.00 C ATOM 667 CE1 PHE A 167 3.321 -1.616 -2.576 1.00 0.00 C ATOM 668 CE2 PHE A 167 4.938 -1.590 -0.815 1.00 0.00 C ATOM 669 CZ PHE A 167 4.570 -1.259 -2.105 1.00 0.00 C ATOM 0 H PHE A 167 0.358 -4.999 1.654 1.00 0.00 H new ATOM 0 HA PHE A 167 1.930 -5.163 -0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 167 0.829 -3.065 0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.044 -3.119 1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 167 1.471 -2.582 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.348 -2.532 1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 167 3.030 -1.357 -3.583 1.00 0.00 H new ATOM 0 HE2 PHE A 167 5.913 -1.313 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 167 5.257 -0.723 -2.743 1.00 0.00 H new ATOM 679 N CYS A 168 3.904 -6.320 0.175 1.00 0.00 N ATOM 680 CA CYS A 168 5.162 -6.884 0.648 1.00 0.00 C ATOM 681 C CYS A 168 6.335 -5.979 0.286 1.00 0.00 C ATOM 682 O CYS A 168 6.546 -5.659 -0.883 1.00 0.00 O ATOM 683 CB CYS A 168 5.374 -8.277 0.051 1.00 0.00 C ATOM 684 SG CYS A 168 6.480 -9.332 1.017 1.00 0.00 S ATOM 0 H CYS A 168 3.595 -6.677 -0.729 1.00 0.00 H new ATOM 0 HA CYS A 168 5.111 -6.964 1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.407 -8.772 -0.043 1.00 0.00 H new ATOM 0 HB3 CYS A 168 5.777 -8.172 -0.956 1.00 0.00 H new ATOM 0 HG CYS A 168 6.595 -10.488 0.434 1.00 0.00 H new ATOM 690 N GLN A 169 7.096 -5.572 1.297 1.00 0.00 N ATOM 691 CA GLN A 169 8.248 -4.704 1.086 1.00 0.00 C ATOM 692 C GLN A 169 9.270 -5.372 0.172 1.00 0.00 C ATOM 693 O GLN A 169 9.932 -4.708 -0.626 1.00 0.00 O ATOM 694 CB GLN A 169 8.898 -4.348 2.424 1.00 0.00 C ATOM 695 CG GLN A 169 7.934 -3.720 3.420 1.00 0.00 C ATOM 696 CD GLN A 169 8.624 -2.768 4.376 1.00 0.00 C ATOM 697 OE1 GLN A 169 9.757 -3.002 4.795 1.00 0.00 O ATOM 698 NE2 GLN A 169 7.940 -1.685 4.729 1.00 0.00 N ATOM 0 H GLN A 169 6.935 -5.830 2.271 1.00 0.00 H new ATOM 0 HA GLN A 169 7.900 -3.789 0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.325 -5.250 2.863 1.00 0.00 H new ATOM 0 HB3 GLN A 169 9.724 -3.659 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 169 7.155 -3.184 2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 169 7.441 -4.508 3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 169 7.003 -1.530 4.357 1.00 0.00 H new ATOM 0 HE22 GLN A 169 8.352 -1.008 5.371 1.00 0.00 H new ATOM 707 N GLN A 170 9.395 -6.689 0.295 1.00 0.00 N ATOM 708 CA GLN A 170 10.337 -7.449 -0.519 1.00 0.00 C ATOM 709 C GLN A 170 10.019 -7.293 -2.004 1.00 0.00 C ATOM 710 O GLN A 170 10.801 -6.717 -2.760 1.00 0.00 O ATOM 711 CB GLN A 170 10.304 -8.928 -0.132 1.00 0.00 C ATOM 712 CG GLN A 170 11.657 -9.611 -0.228 1.00 0.00 C ATOM 713 CD GLN A 170 11.592 -11.084 0.129 1.00 0.00 C ATOM 714 OE1 GLN A 170 10.521 -11.617 0.420 1.00 0.00 O ATOM 715 NE2 GLN A 170 12.741 -11.749 0.107 1.00 0.00 N ATOM 0 H GLN A 170 8.855 -7.253 0.951 1.00 0.00 H new ATOM 0 HA GLN A 170 11.337 -7.056 -0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 170 9.931 -9.020 0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 170 9.597 -9.448 -0.778 1.00 0.00 H new ATOM 0 HG2 GLN A 170 12.044 -9.503 -1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 170 12.361 -9.110 0.437 1.00 0.00 H new ATOM 0 HE21 GLN A 170 13.605 -11.266 -0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 170 12.760 -12.743 0.337 1.00 0.00 H new ATOM 724 N CYS A 171 8.865 -7.810 -2.412 1.00 0.00 N ATOM 725 CA CYS A 171 8.441 -7.730 -3.805 1.00 0.00 C ATOM 726 C CYS A 171 8.180 -6.283 -4.215 1.00 0.00 C ATOM 727 O CYS A 171 8.303 -5.929 -5.387 1.00 0.00 O ATOM 728 CB CYS A 171 7.181 -8.568 -4.026 1.00 0.00 C ATOM 729 SG CYS A 171 7.488 -10.345 -4.143 1.00 0.00 S ATOM 0 H CYS A 171 8.206 -8.289 -1.798 1.00 0.00 H new ATOM 0 HA CYS A 171 9.246 -8.125 -4.425 1.00 0.00 H new ATOM 0 HB2 CYS A 171 6.486 -8.383 -3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.691 -8.234 -4.941 1.00 0.00 H new ATOM 0 HG CYS A 171 6.362 -10.969 -4.327 1.00 0.00 H new ATOM 735 N SER A 172 7.823 -5.451 -3.240 1.00 0.00 N ATOM 736 CA SER A 172 7.546 -4.043 -3.501 1.00 0.00 C ATOM 737 C SER A 172 6.332 -3.887 -4.414 1.00 0.00 C ATOM 738 O SER A 172 6.260 -2.955 -5.215 1.00 0.00 O ATOM 739 CB SER A 172 8.765 -3.366 -4.131 1.00 0.00 C ATOM 740 OG SER A 172 9.041 -2.126 -3.503 1.00 0.00 O ATOM 0 H SER A 172 7.719 -5.728 -2.264 1.00 0.00 H new ATOM 0 HA SER A 172 7.326 -3.561 -2.549 1.00 0.00 H new ATOM 0 HB2 SER A 172 9.632 -4.021 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.587 -3.207 -5.195 1.00 0.00 H new ATOM 0 HG SER A 172 8.799 -1.393 -4.106 1.00 0.00 H new ATOM 746 N ARG A 173 5.381 -4.807 -4.286 1.00 0.00 N ATOM 747 CA ARG A 173 4.172 -4.774 -5.099 1.00 0.00 C ATOM 748 C ARG A 173 2.989 -5.357 -4.333 1.00 0.00 C ATOM 749 O ARG A 173 3.158 -6.224 -3.476 1.00 0.00 O ATOM 750 CB ARG A 173 4.384 -5.546 -6.402 1.00 0.00 C ATOM 751 CG ARG A 173 3.380 -5.195 -7.488 1.00 0.00 C ATOM 752 CD ARG A 173 3.269 -6.301 -8.523 1.00 0.00 C ATOM 753 NE ARG A 173 4.300 -6.191 -9.553 1.00 0.00 N ATOM 754 CZ ARG A 173 4.229 -6.791 -10.739 1.00 0.00 C ATOM 755 NH1 ARG A 173 3.181 -7.543 -11.049 1.00 0.00 N ATOM 756 NH2 ARG A 173 5.210 -6.639 -11.619 1.00 0.00 N ATOM 0 H ARG A 173 5.425 -5.584 -3.627 1.00 0.00 H new ATOM 0 HA ARG A 173 3.952 -3.733 -5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.390 -5.349 -6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 173 4.324 -6.615 -6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 173 2.403 -5.017 -7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 173 3.680 -4.268 -7.976 1.00 0.00 H new ATOM 0 HD2 ARG A 173 3.351 -7.269 -8.029 1.00 0.00 H new ATOM 0 HD3 ARG A 173 2.285 -6.264 -8.990 1.00 0.00 H new ATOM 0 HE ARG A 173 5.122 -5.621 -9.351 1.00 0.00 H new ATOM 0 HH11 ARG A 173 2.423 -7.664 -10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 173 3.133 -8.000 -11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 173 6.019 -6.062 -11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 173 5.156 -7.099 -12.528 1.00 0.00 H new ATOM 770 N PHE A 174 1.791 -4.876 -4.650 1.00 0.00 N ATOM 771 CA PHE A 174 0.579 -5.350 -3.991 1.00 0.00 C ATOM 772 C PHE A 174 0.287 -6.800 -4.364 1.00 0.00 C ATOM 773 O PHE A 174 -0.162 -7.088 -5.474 1.00 0.00 O ATOM 774 CB PHE A 174 -0.609 -4.463 -4.367 1.00 0.00 C ATOM 775 CG PHE A 174 -0.914 -3.403 -3.347 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.040 -3.730 -2.007 1.00 0.00 C ATOM 777 CD2 PHE A 174 -1.075 -2.081 -3.728 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.321 -2.758 -1.065 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.356 -1.105 -2.792 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.478 -1.443 -1.459 1.00 0.00 C ATOM 0 H PHE A 174 1.634 -4.159 -5.358 1.00 0.00 H new ATOM 0 HA PHE A 174 0.736 -5.298 -2.914 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.406 -3.985 -5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.491 -5.089 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -0.917 -4.756 -1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.980 -1.810 -4.769 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.418 -3.026 -0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.480 -0.078 -3.103 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.696 -0.681 -0.725 1.00 0.00 H new ATOM 790 N HIS A 175 0.544 -7.709 -3.430 1.00 0.00 N ATOM 791 CA HIS A 175 0.306 -9.130 -3.659 1.00 0.00 C ATOM 792 C HIS A 175 -0.921 -9.606 -2.891 1.00 0.00 C ATOM 793 O HIS A 175 -1.122 -9.242 -1.733 1.00 0.00 O ATOM 794 CB HIS A 175 1.531 -9.948 -3.242 1.00 0.00 C ATOM 795 CG HIS A 175 2.532 -10.127 -4.341 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.885 -9.115 -5.210 1.00 0.00 N ATOM 797 CD2 HIS A 175 3.261 -11.207 -4.711 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.783 -9.567 -6.067 1.00 0.00 C ATOM 799 NE2 HIS A 175 4.029 -10.832 -5.784 1.00 0.00 N ATOM 0 H HIS A 175 0.917 -7.487 -2.507 1.00 0.00 H new ATOM 0 HA HIS A 175 0.126 -9.275 -4.724 1.00 0.00 H new ATOM 0 HB2 HIS A 175 2.015 -9.458 -2.397 1.00 0.00 H new ATOM 0 HB3 HIS A 175 1.203 -10.928 -2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 175 3.241 -12.182 -4.247 1.00 0.00 H new ATOM 0 HE1 HIS A 175 4.238 -8.998 -6.864 1.00 0.00 H new ATOM 0 HE2 HIS A 175 4.684 -11.434 -6.283 1.00 0.00 H new ATOM 807 N VAL A 176 -1.743 -10.422 -3.545 1.00 0.00 N ATOM 808 CA VAL A 176 -2.955 -10.950 -2.927 1.00 0.00 C ATOM 809 C VAL A 176 -2.645 -11.639 -1.601 1.00 0.00 C ATOM 810 O VAL A 176 -1.488 -11.720 -1.188 1.00 0.00 O ATOM 811 CB VAL A 176 -3.671 -11.947 -3.855 1.00 0.00 C ATOM 812 CG1 VAL A 176 -4.371 -11.215 -4.990 1.00 0.00 C ATOM 813 CG2 VAL A 176 -2.685 -12.971 -4.400 1.00 0.00 C ATOM 0 H VAL A 176 -1.591 -10.732 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.611 -10.099 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.427 -12.476 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -4.871 -11.937 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.108 -10.525 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -3.636 -10.657 -5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -3.209 -13.668 -5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -1.905 -12.460 -4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.235 -13.519 -3.572 1.00 0.00 H new ATOM 823 N LEU A 177 -3.685 -12.136 -0.940 1.00 0.00 N ATOM 824 CA LEU A 177 -3.524 -12.817 0.338 1.00 0.00 C ATOM 825 C LEU A 177 -3.507 -14.332 0.151 1.00 0.00 C ATOM 826 O LEU A 177 -3.939 -15.081 1.026 1.00 0.00 O ATOM 827 CB LEU A 177 -4.652 -12.424 1.296 1.00 0.00 C ATOM 828 CG LEU A 177 -4.956 -10.927 1.358 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.320 -10.684 1.983 1.00 0.00 C ATOM 830 CD2 LEU A 177 -3.872 -10.197 2.139 1.00 0.00 C ATOM 0 H LEU A 177 -4.649 -12.080 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.569 -12.511 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.559 -12.952 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -4.394 -12.769 2.297 1.00 0.00 H new ATOM 0 HG LEU A 177 -4.971 -10.536 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -6.518 -9.613 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -7.087 -11.176 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.334 -11.089 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -4.103 -9.132 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -3.826 -10.592 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -2.909 -10.343 1.649 1.00 0.00 H new ATOM 842 N GLU A 178 -3.005 -14.774 -0.997 1.00 0.00 N ATOM 843 CA GLU A 178 -2.931 -16.200 -1.300 1.00 0.00 C ATOM 844 C GLU A 178 -1.755 -16.848 -0.575 1.00 0.00 C ATOM 845 O GLU A 178 -1.810 -18.023 -0.210 1.00 0.00 O ATOM 846 CB GLU A 178 -2.798 -16.417 -2.808 1.00 0.00 C ATOM 847 CG GLU A 178 -4.030 -15.992 -3.593 1.00 0.00 C ATOM 848 CD GLU A 178 -5.170 -16.983 -3.469 1.00 0.00 C ATOM 849 OE1 GLU A 178 -5.363 -17.529 -2.363 1.00 0.00 O ATOM 850 OE2 GLU A 178 -5.870 -17.211 -4.477 1.00 0.00 O ATOM 0 H GLU A 178 -2.644 -14.167 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 178 -3.852 -16.668 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -1.935 -15.860 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -2.601 -17.472 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -4.362 -15.016 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -3.765 -15.878 -4.644 1.00 0.00 H new ATOM 857 N GLU A 179 -0.693 -16.076 -0.371 1.00 0.00 N ATOM 858 CA GLU A 179 0.496 -16.574 0.309 1.00 0.00 C ATOM 859 C GLU A 179 0.593 -16.008 1.722 1.00 0.00 C ATOM 860 O GLU A 179 1.102 -16.663 2.632 1.00 0.00 O ATOM 861 CB GLU A 179 1.753 -16.213 -0.484 1.00 0.00 C ATOM 862 CG GLU A 179 1.885 -16.972 -1.795 1.00 0.00 C ATOM 863 CD GLU A 179 1.092 -16.333 -2.918 1.00 0.00 C ATOM 864 OE1 GLU A 179 0.825 -15.115 -2.839 1.00 0.00 O ATOM 865 OE2 GLU A 179 0.738 -17.051 -3.878 1.00 0.00 O ATOM 0 H GLU A 179 -0.632 -15.102 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 179 0.416 -17.659 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.746 -15.143 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 179 2.630 -16.412 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 179 2.936 -17.020 -2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 179 1.546 -17.998 -1.653 1.00 0.00 H new ATOM 872 N PHE A 180 0.098 -14.787 1.899 1.00 0.00 N ATOM 873 CA PHE A 180 0.127 -14.133 3.201 1.00 0.00 C ATOM 874 C PHE A 180 -1.170 -14.381 3.964 1.00 0.00 C ATOM 875 O PHE A 180 -2.192 -13.750 3.694 1.00 0.00 O ATOM 876 CB PHE A 180 0.355 -12.628 3.034 1.00 0.00 C ATOM 877 CG PHE A 180 1.460 -12.292 2.076 1.00 0.00 C ATOM 878 CD1 PHE A 180 2.774 -12.620 2.371 1.00 0.00 C ATOM 879 CD2 PHE A 180 1.187 -11.647 0.880 1.00 0.00 C ATOM 880 CE1 PHE A 180 3.794 -12.310 1.491 1.00 0.00 C ATOM 881 CE2 PHE A 180 2.203 -11.335 -0.003 1.00 0.00 C ATOM 882 CZ PHE A 180 3.507 -11.667 0.302 1.00 0.00 C ATOM 0 H PHE A 180 -0.328 -14.231 1.157 1.00 0.00 H new ATOM 0 HA PHE A 180 0.951 -14.557 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 180 -0.569 -12.165 2.687 1.00 0.00 H new ATOM 0 HB3 PHE A 180 0.584 -12.193 4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 180 3.003 -13.123 3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 180 0.168 -11.385 0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 180 4.814 -12.570 1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 180 1.977 -10.832 -0.931 1.00 0.00 H new ATOM 0 HZ PHE A 180 4.302 -11.425 -0.387 1.00 0.00 H new ATOM 892 N ASP A 181 -1.121 -15.302 4.921 1.00 0.00 N ATOM 893 CA ASP A 181 -2.292 -15.635 5.723 1.00 0.00 C ATOM 894 C ASP A 181 -2.027 -15.379 7.203 1.00 0.00 C ATOM 895 O ASP A 181 -1.278 -16.170 7.816 1.00 0.00 O ATOM 896 CB ASP A 181 -2.686 -17.097 5.509 1.00 0.00 C ATOM 897 CG ASP A 181 -3.382 -17.319 4.182 1.00 0.00 C ATOM 898 OD1 ASP A 181 -2.900 -16.783 3.160 1.00 0.00 O ATOM 899 OD2 ASP A 181 -4.410 -18.029 4.161 1.00 0.00 O ATOM 900 OXT ASP A 181 -2.569 -14.388 7.739 1.00 0.00 O ATOM 0 H ASP A 181 -0.282 -15.831 5.160 1.00 0.00 H new ATOM 0 HA ASP A 181 -3.114 -14.995 5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 181 -1.794 -17.722 5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 181 -3.343 -17.416 6.318 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.470 3.481 1.917 1.00 0.00 ZN