USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 372 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 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -1.165 8.301 -10.113 1.00 0.00 N ATOM 2 CA ASN A 126 -2.347 8.880 -9.424 1.00 0.00 C ATOM 3 C ASN A 126 -3.614 8.691 -10.252 1.00 0.00 C ATOM 4 O ASN A 126 -3.569 8.165 -11.364 1.00 0.00 O ATOM 5 CB ASN A 126 -2.090 10.369 -9.184 1.00 0.00 C ATOM 6 CG ASN A 126 -1.641 10.657 -7.764 1.00 0.00 C ATOM 7 OD1 ASN A 126 -0.684 10.060 -7.271 1.00 0.00 O ATOM 8 ND2 ASN A 126 -2.333 11.575 -7.099 1.00 0.00 N ATOM 0 HA ASN A 126 -2.496 8.366 -8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -1.329 10.721 -9.881 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.000 10.931 -9.395 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.078 11.810 -6.140 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -3.119 12.045 -7.548 1.00 0.00 H new ATOM 17 N ARG A 127 -4.744 9.124 -9.702 1.00 0.00 N ATOM 18 CA ARG A 127 -6.025 9.003 -10.390 1.00 0.00 C ATOM 19 C ARG A 127 -6.362 7.540 -10.662 1.00 0.00 C ATOM 20 O ARG A 127 -6.971 7.212 -11.680 1.00 0.00 O ATOM 21 CB ARG A 127 -5.997 9.790 -11.703 1.00 0.00 C ATOM 22 CG ARG A 127 -7.083 10.852 -11.798 1.00 0.00 C ATOM 23 CD ARG A 127 -7.960 10.657 -13.026 1.00 0.00 C ATOM 24 NE ARG A 127 -9.343 10.349 -12.666 1.00 0.00 N ATOM 25 CZ ARG A 127 -10.221 9.797 -13.500 1.00 0.00 C ATOM 26 NH1 ARG A 127 -9.865 9.491 -14.742 1.00 0.00 N ATOM 27 NH2 ARG A 127 -11.459 9.552 -13.092 1.00 0.00 N ATOM 0 H ARG A 127 -4.799 9.562 -8.782 1.00 0.00 H new ATOM 0 HA ARG A 127 -6.799 9.418 -9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.023 10.267 -11.811 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.105 9.095 -12.536 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -7.702 10.820 -10.901 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -6.623 11.840 -11.833 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -7.936 11.560 -13.636 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -7.555 9.850 -13.636 1.00 0.00 H new ATOM 0 HE ARG A 127 -9.653 10.570 -11.720 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -8.915 9.679 -15.061 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -10.542 9.068 -15.377 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -11.738 9.787 -12.139 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -12.132 9.129 -13.731 1.00 0.00 H new ATOM 41 N ARG A 128 -5.961 6.666 -9.746 1.00 0.00 N ATOM 42 CA ARG A 128 -6.221 5.237 -9.886 1.00 0.00 C ATOM 43 C ARG A 128 -5.759 4.476 -8.648 1.00 0.00 C ATOM 44 O ARG A 128 -6.431 3.556 -8.184 1.00 0.00 O ATOM 45 CB ARG A 128 -5.520 4.690 -11.132 1.00 0.00 C ATOM 46 CG ARG A 128 -6.474 4.338 -12.262 1.00 0.00 C ATOM 47 CD ARG A 128 -5.810 3.444 -13.297 1.00 0.00 C ATOM 48 NE ARG A 128 -6.058 3.907 -14.661 1.00 0.00 N ATOM 49 CZ ARG A 128 -5.888 3.151 -15.743 1.00 0.00 C ATOM 50 NH1 ARG A 128 -5.472 1.896 -15.626 1.00 0.00 N ATOM 51 NH2 ARG A 128 -6.135 3.651 -16.946 1.00 0.00 N ATOM 0 H ARG A 128 -5.455 6.921 -8.898 1.00 0.00 H new ATOM 0 HA ARG A 128 -7.297 5.096 -9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.804 5.430 -11.490 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -4.951 3.802 -10.858 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -7.351 3.835 -11.855 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.824 5.252 -12.741 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.736 3.414 -13.114 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -6.181 2.425 -13.187 1.00 0.00 H new ATOM 0 HE ARG A 128 -6.380 4.866 -14.791 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -5.281 1.506 -14.703 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -5.344 1.322 -16.459 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -6.455 4.615 -17.042 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -6.005 3.072 -17.776 1.00 0.00 H new ATOM 65 N VAL A 129 -4.607 4.870 -8.119 1.00 0.00 N ATOM 66 CA VAL A 129 -4.049 4.230 -6.934 1.00 0.00 C ATOM 67 C VAL A 129 -4.944 4.454 -5.718 1.00 0.00 C ATOM 68 O VAL A 129 -5.390 5.571 -5.460 1.00 0.00 O ATOM 69 CB VAL A 129 -2.630 4.760 -6.630 1.00 0.00 C ATOM 70 CG1 VAL A 129 -2.165 4.323 -5.246 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.648 4.297 -7.697 1.00 0.00 C ATOM 0 H VAL A 129 -4.040 5.631 -8.493 1.00 0.00 H new ATOM 0 HA VAL A 129 -3.991 3.162 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.667 5.849 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -1.163 4.710 -5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.850 4.711 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.148 3.234 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.654 4.680 -7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.622 3.208 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.965 4.672 -8.670 1.00 0.00 H new ATOM 81 N ILE A 130 -5.192 3.384 -4.969 1.00 0.00 N ATOM 82 CA ILE A 130 -6.022 3.466 -3.774 1.00 0.00 C ATOM 83 C ILE A 130 -5.212 3.126 -2.532 1.00 0.00 C ATOM 84 O ILE A 130 -4.793 1.985 -2.340 1.00 0.00 O ATOM 85 CB ILE A 130 -7.238 2.524 -3.862 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.007 2.788 -5.152 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.148 2.709 -2.656 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.573 1.913 -6.308 1.00 0.00 C ATOM 0 H ILE A 130 -4.830 2.451 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.382 4.492 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.882 1.494 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.070 2.633 -4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.881 3.834 -5.432 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.001 2.035 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.594 2.485 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.502 3.739 -2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.164 2.157 -7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.517 2.085 -6.518 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.725 0.865 -6.048 1.00 0.00 H new ATOM 100 N ALA A 131 -4.994 4.129 -1.694 1.00 0.00 N ATOM 101 CA ALA A 131 -4.230 3.948 -0.467 1.00 0.00 C ATOM 102 C ALA A 131 -4.325 5.177 0.429 1.00 0.00 C ATOM 103 O ALA A 131 -4.568 6.286 -0.048 1.00 0.00 O ATOM 104 CB ALA A 131 -2.775 3.647 -0.793 1.00 0.00 C ATOM 0 H ALA A 131 -5.336 5.079 -1.841 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.656 3.103 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.215 3.514 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.716 2.735 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.350 4.476 -1.358 1.00 0.00 H new ATOM 110 N MET A 132 -4.125 4.975 1.725 1.00 0.00 N ATOM 111 CA MET A 132 -4.178 6.071 2.683 1.00 0.00 C ATOM 112 C MET A 132 -3.099 7.105 2.369 1.00 0.00 C ATOM 113 O MET A 132 -2.098 6.791 1.726 1.00 0.00 O ATOM 114 CB MET A 132 -4.002 5.538 4.107 1.00 0.00 C ATOM 115 CG MET A 132 -5.293 5.503 4.908 1.00 0.00 C ATOM 116 SD MET A 132 -5.023 5.074 6.638 1.00 0.00 S ATOM 117 CE MET A 132 -5.578 6.571 7.449 1.00 0.00 C ATOM 0 H MET A 132 -3.925 4.063 2.136 1.00 0.00 H new ATOM 0 HA MET A 132 -5.153 6.552 2.607 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.586 4.532 4.060 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.276 6.159 4.631 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.779 6.477 4.850 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.975 4.780 4.460 1.00 0.00 H new ATOM 0 HE1 MET A 132 -5.473 6.461 8.528 1.00 0.00 H new ATOM 0 HE2 MET A 132 -4.975 7.413 7.110 1.00 0.00 H new ATOM 0 HE3 MET A 132 -6.624 6.751 7.203 1.00 0.00 H new ATOM 127 N PRO A 133 -3.288 8.357 2.818 1.00 0.00 N ATOM 128 CA PRO A 133 -2.322 9.434 2.578 1.00 0.00 C ATOM 129 C PRO A 133 -0.945 9.112 3.148 1.00 0.00 C ATOM 130 O PRO A 133 0.069 9.627 2.678 1.00 0.00 O ATOM 131 CB PRO A 133 -2.932 10.644 3.297 1.00 0.00 C ATOM 132 CG PRO A 133 -3.937 10.075 4.241 1.00 0.00 C ATOM 133 CD PRO A 133 -4.450 8.823 3.592 1.00 0.00 C ATOM 0 HA PRO A 133 -2.160 9.600 1.513 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.169 11.211 3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.400 11.327 2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.484 9.856 5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.747 10.782 4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.767 8.086 4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.309 9.022 2.951 1.00 0.00 H new ATOM 141 N SER A 134 -0.916 8.258 4.167 1.00 0.00 N ATOM 142 CA SER A 134 0.337 7.871 4.804 1.00 0.00 C ATOM 143 C SER A 134 0.928 6.623 4.152 1.00 0.00 C ATOM 144 O SER A 134 2.145 6.436 4.141 1.00 0.00 O ATOM 145 CB SER A 134 0.117 7.622 6.297 1.00 0.00 C ATOM 146 OG SER A 134 1.219 8.082 7.059 1.00 0.00 O ATOM 0 H SER A 134 -1.746 7.821 4.569 1.00 0.00 H new ATOM 0 HA SER A 134 1.044 8.691 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.791 8.129 6.623 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.031 6.557 6.473 1.00 0.00 H new ATOM 0 HG SER A 134 1.053 7.913 8.010 1.00 0.00 H new ATOM 152 N VAL A 135 0.062 5.768 3.617 1.00 0.00 N ATOM 153 CA VAL A 135 0.509 4.536 2.974 1.00 0.00 C ATOM 154 C VAL A 135 1.241 4.813 1.675 1.00 0.00 C ATOM 155 O VAL A 135 2.307 4.258 1.425 1.00 0.00 O ATOM 156 CB VAL A 135 -0.659 3.588 2.676 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.144 2.284 2.090 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.466 3.335 3.932 1.00 0.00 C ATOM 0 H VAL A 135 -0.949 5.904 3.615 1.00 0.00 H new ATOM 0 HA VAL A 135 1.188 4.062 3.683 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.313 4.057 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.984 1.621 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.393 2.488 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.529 1.806 2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.291 2.660 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.827 2.883 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.862 4.279 4.307 1.00 0.00 H new ATOM 168 N ARG A 136 0.664 5.669 0.848 1.00 0.00 N ATOM 169 CA ARG A 136 1.277 6.003 -0.428 1.00 0.00 C ATOM 170 C ARG A 136 2.704 6.488 -0.200 1.00 0.00 C ATOM 171 O ARG A 136 3.583 6.280 -1.032 1.00 0.00 O ATOM 172 CB ARG A 136 0.464 7.080 -1.149 1.00 0.00 C ATOM 173 CG ARG A 136 -0.557 6.518 -2.125 1.00 0.00 C ATOM 174 CD ARG A 136 -1.880 7.264 -2.043 1.00 0.00 C ATOM 175 NE ARG A 136 -1.710 8.703 -2.232 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.711 9.538 -2.503 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.953 9.083 -2.614 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.469 10.833 -2.660 1.00 0.00 N ATOM 0 H ARG A 136 -0.220 6.142 1.034 1.00 0.00 H new ATOM 0 HA ARG A 136 1.296 5.111 -1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -0.052 7.691 -0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.145 7.739 -1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.165 6.582 -3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.721 5.461 -1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.562 6.877 -2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.342 7.078 -1.073 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.770 9.090 -2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -4.145 8.089 -2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.716 9.728 -2.822 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.517 11.188 -2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.235 11.473 -2.868 1.00 0.00 H new ATOM 192 N LYS A 137 2.924 7.112 0.953 1.00 0.00 N ATOM 193 CA LYS A 137 4.240 7.605 1.321 1.00 0.00 C ATOM 194 C LYS A 137 5.118 6.459 1.796 1.00 0.00 C ATOM 195 O LYS A 137 6.304 6.393 1.477 1.00 0.00 O ATOM 196 CB LYS A 137 4.124 8.667 2.416 1.00 0.00 C ATOM 197 CG LYS A 137 5.443 9.347 2.744 1.00 0.00 C ATOM 198 CD LYS A 137 5.698 10.534 1.830 1.00 0.00 C ATOM 199 CE LYS A 137 6.571 11.579 2.506 1.00 0.00 C ATOM 200 NZ LYS A 137 6.293 12.950 1.997 1.00 0.00 N ATOM 0 H LYS A 137 2.201 7.287 1.650 1.00 0.00 H new ATOM 0 HA LYS A 137 4.698 8.058 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.403 9.422 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.729 8.204 3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.434 9.680 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.258 8.630 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.180 10.193 0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.748 10.983 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.403 11.551 3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.621 11.337 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 6.909 13.632 2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 6.478 12.985 0.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 5.298 13.192 2.177 1.00 0.00 H new ATOM 214 N TYR A 138 4.519 5.560 2.573 1.00 0.00 N ATOM 215 CA TYR A 138 5.243 4.416 3.108 1.00 0.00 C ATOM 216 C TYR A 138 5.702 3.492 1.988 1.00 0.00 C ATOM 217 O TYR A 138 6.869 3.107 1.928 1.00 0.00 O ATOM 218 CB TYR A 138 4.348 3.650 4.074 1.00 0.00 C ATOM 219 CG TYR A 138 4.991 2.392 4.602 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.158 2.445 5.350 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.438 1.148 4.335 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.756 1.292 5.821 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.026 -0.006 4.801 1.00 0.00 C ATOM 224 CZ TYR A 138 6.185 0.068 5.544 1.00 0.00 C ATOM 225 OH TYR A 138 6.776 -1.084 6.009 1.00 0.00 O ATOM 0 H TYR A 138 3.537 5.603 2.844 1.00 0.00 H new ATOM 0 HA TYR A 138 6.124 4.780 3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.088 4.298 4.911 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.417 3.391 3.570 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.606 3.403 5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.531 1.084 3.752 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.665 1.349 6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.581 -0.966 4.585 1.00 0.00 H new ATOM 0 HH TYR A 138 6.247 -1.860 5.727 1.00 0.00 H new ATOM 235 N ALA A 139 4.789 3.166 1.081 1.00 0.00 N ATOM 236 CA ALA A 139 5.122 2.322 -0.052 1.00 0.00 C ATOM 237 C ALA A 139 6.103 3.063 -0.933 1.00 0.00 C ATOM 238 O ALA A 139 7.116 2.522 -1.356 1.00 0.00 O ATOM 239 CB ALA A 139 3.873 1.952 -0.838 1.00 0.00 C ATOM 0 H ALA A 139 3.817 3.474 1.110 1.00 0.00 H new ATOM 0 HA ALA A 139 5.572 1.395 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.148 1.319 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.182 1.412 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.393 2.859 -1.206 1.00 0.00 H new ATOM 245 N ARG A 140 5.802 4.329 -1.178 1.00 0.00 N ATOM 246 CA ARG A 140 6.664 5.172 -1.988 1.00 0.00 C ATOM 247 C ARG A 140 8.086 5.172 -1.432 1.00 0.00 C ATOM 248 O ARG A 140 9.057 5.284 -2.181 1.00 0.00 O ATOM 249 CB ARG A 140 6.111 6.597 -2.022 1.00 0.00 C ATOM 250 CG ARG A 140 6.922 7.548 -2.884 1.00 0.00 C ATOM 251 CD ARG A 140 6.024 8.389 -3.777 1.00 0.00 C ATOM 252 NE ARG A 140 6.244 8.109 -5.195 1.00 0.00 N ATOM 253 CZ ARG A 140 5.629 7.135 -5.866 1.00 0.00 C ATOM 254 NH1 ARG A 140 4.757 6.341 -5.255 1.00 0.00 N ATOM 255 NH2 ARG A 140 5.887 6.955 -7.154 1.00 0.00 N ATOM 0 H ARG A 140 4.965 4.795 -0.826 1.00 0.00 H new ATOM 0 HA ARG A 140 6.691 4.775 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.086 6.570 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 140 6.073 6.986 -1.005 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.518 8.201 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.620 6.979 -3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 140 4.981 8.196 -3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 140 6.208 9.446 -3.583 1.00 0.00 H new ATOM 0 HE ARG A 140 6.908 8.694 -5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.553 6.474 -4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 140 4.291 5.598 -5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 140 6.555 7.561 -7.630 1.00 0.00 H new ATOM 0 HH22 ARG A 140 5.417 6.210 -7.669 1.00 0.00 H new ATOM 269 N GLU A 141 8.198 5.037 -0.112 1.00 0.00 N ATOM 270 CA GLU A 141 9.492 5.013 0.552 1.00 0.00 C ATOM 271 C GLU A 141 10.089 3.613 0.539 1.00 0.00 C ATOM 272 O GLU A 141 11.299 3.442 0.384 1.00 0.00 O ATOM 273 CB GLU A 141 9.349 5.500 1.994 1.00 0.00 C ATOM 274 CG GLU A 141 9.214 7.009 2.118 1.00 0.00 C ATOM 275 CD GLU A 141 10.546 7.725 2.019 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.445 7.212 1.320 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.691 8.798 2.640 1.00 0.00 O ATOM 0 H GLU A 141 7.402 4.942 0.518 1.00 0.00 H new ATOM 0 HA GLU A 141 10.164 5.678 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.475 5.028 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.217 5.173 2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.550 7.376 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.746 7.251 3.072 1.00 0.00 H new ATOM 284 N LYS A 142 9.231 2.617 0.717 1.00 0.00 N ATOM 285 CA LYS A 142 9.659 1.227 0.744 1.00 0.00 C ATOM 286 C LYS A 142 9.794 0.641 -0.662 1.00 0.00 C ATOM 287 O LYS A 142 9.640 -0.565 -0.850 1.00 0.00 O ATOM 288 CB LYS A 142 8.646 0.408 1.546 1.00 0.00 C ATOM 289 CG LYS A 142 8.587 0.756 3.029 1.00 0.00 C ATOM 290 CD LYS A 142 9.962 1.055 3.605 1.00 0.00 C ATOM 291 CE LYS A 142 9.878 1.443 5.072 1.00 0.00 C ATOM 292 NZ LYS A 142 11.227 1.617 5.678 1.00 0.00 N ATOM 0 H LYS A 142 8.228 2.749 0.846 1.00 0.00 H new ATOM 0 HA LYS A 142 10.642 1.185 1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.656 0.551 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.889 -0.650 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.939 1.621 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.138 -0.072 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.602 0.180 3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.427 1.863 3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.313 2.370 5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.330 0.676 5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.127 1.881 6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.757 0.725 5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.741 2.366 5.172 1.00 0.00 H new ATOM 306 N GLY A 143 10.073 1.489 -1.653 1.00 0.00 N ATOM 307 CA GLY A 143 10.205 1.003 -3.019 1.00 0.00 C ATOM 308 C GLY A 143 8.988 0.211 -3.463 1.00 0.00 C ATOM 309 O GLY A 143 9.058 -0.599 -4.387 1.00 0.00 O ATOM 0 H GLY A 143 10.209 2.493 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.352 1.848 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.093 0.376 -3.096 1.00 0.00 H new ATOM 313 N VAL A 144 7.871 0.452 -2.786 1.00 0.00 N ATOM 314 CA VAL A 144 6.613 -0.220 -3.071 1.00 0.00 C ATOM 315 C VAL A 144 5.624 0.726 -3.735 1.00 0.00 C ATOM 316 O VAL A 144 5.464 1.872 -3.316 1.00 0.00 O ATOM 317 CB VAL A 144 5.972 -0.743 -1.772 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.677 -1.485 -2.066 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.943 -1.624 -1.007 1.00 0.00 C ATOM 0 H VAL A 144 7.815 1.123 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 144 6.837 -1.049 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 144 5.731 0.115 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.244 -1.845 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.975 -0.811 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.883 -2.332 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.468 -1.981 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.227 -2.475 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.833 -1.049 -0.752 1.00 0.00 H new ATOM 329 N ASP A 145 4.940 0.227 -4.750 1.00 0.00 N ATOM 330 CA ASP A 145 3.937 1.003 -5.449 1.00 0.00 C ATOM 331 C ASP A 145 2.583 0.343 -5.246 1.00 0.00 C ATOM 332 O ASP A 145 2.429 -0.850 -5.490 1.00 0.00 O ATOM 333 CB ASP A 145 4.269 1.110 -6.939 1.00 0.00 C ATOM 334 CG ASP A 145 3.317 2.029 -7.680 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.190 2.239 -7.186 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.701 2.540 -8.753 1.00 0.00 O ATOM 0 H ASP A 145 5.064 -0.720 -5.109 1.00 0.00 H new ATOM 0 HA ASP A 145 3.916 2.016 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.289 1.477 -7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.235 0.117 -7.388 1.00 0.00 H new ATOM 341 N ILE A 146 1.613 1.112 -4.776 1.00 0.00 N ATOM 342 CA ILE A 146 0.279 0.582 -4.522 1.00 0.00 C ATOM 343 C ILE A 146 -0.226 -0.259 -5.696 1.00 0.00 C ATOM 344 O ILE A 146 -1.053 -1.154 -5.517 1.00 0.00 O ATOM 345 CB ILE A 146 -0.731 1.715 -4.242 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.208 2.648 -3.143 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.083 1.141 -3.850 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.003 1.960 -1.809 1.00 0.00 C ATOM 0 H ILE A 146 1.722 2.103 -4.563 1.00 0.00 H new ATOM 0 HA ILE A 146 0.359 -0.054 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.853 2.295 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.738 3.083 -3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.910 3.472 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.782 1.955 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.464 0.521 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.974 0.535 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.368 2.681 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.951 1.549 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.722 1.154 -1.923 1.00 0.00 H new ATOM 360 N ARG A 147 0.283 0.021 -6.895 1.00 0.00 N ATOM 361 CA ARG A 147 -0.122 -0.722 -8.087 1.00 0.00 C ATOM 362 C ARG A 147 0.258 -2.190 -7.953 1.00 0.00 C ATOM 363 O ARG A 147 -0.481 -3.081 -8.374 1.00 0.00 O ATOM 364 CB ARG A 147 0.529 -0.123 -9.335 1.00 0.00 C ATOM 365 CG ARG A 147 0.217 1.352 -9.535 1.00 0.00 C ATOM 366 CD ARG A 147 -0.477 1.603 -10.865 1.00 0.00 C ATOM 367 NE ARG A 147 -1.923 1.421 -10.770 1.00 0.00 N ATOM 368 CZ ARG A 147 -2.716 1.223 -11.822 1.00 0.00 C ATOM 369 NH1 ARG A 147 -2.208 1.181 -13.046 1.00 0.00 N ATOM 370 NH2 ARG A 147 -4.021 1.066 -11.646 1.00 0.00 N ATOM 0 H ARG A 147 0.973 0.753 -7.066 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.205 -0.649 -8.187 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.609 -0.252 -9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.195 -0.679 -10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.417 1.704 -8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 147 1.141 1.929 -9.492 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.260 2.617 -11.201 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.075 0.925 -11.618 1.00 0.00 H new ATOM 0 HE ARG A 147 -2.351 1.447 -9.844 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.205 1.301 -13.186 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.820 1.029 -13.847 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -4.416 1.097 -10.706 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -4.629 0.914 -12.450 1.00 0.00 H new ATOM 384 N LEU A 148 1.414 -2.426 -7.354 1.00 0.00 N ATOM 385 CA LEU A 148 1.918 -3.771 -7.136 1.00 0.00 C ATOM 386 C LEU A 148 1.357 -4.357 -5.843 1.00 0.00 C ATOM 387 O LEU A 148 1.560 -5.535 -5.547 1.00 0.00 O ATOM 388 CB LEU A 148 3.448 -3.750 -7.067 1.00 0.00 C ATOM 389 CG LEU A 148 4.115 -2.571 -7.779 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.617 -2.595 -7.571 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.782 -2.584 -9.262 1.00 0.00 C ATOM 0 H LEU A 148 2.029 -1.690 -7.006 1.00 0.00 H new ATOM 0 HA LEU A 148 1.598 -4.396 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.749 -3.739 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.828 -4.676 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 148 3.726 -1.649 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.069 -1.748 -8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.838 -2.532 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 148 6.025 -3.523 -7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.265 -1.738 -9.751 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.139 -3.513 -9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.702 -2.510 -9.393 1.00 0.00 H new ATOM 403 N VAL A 149 0.663 -3.526 -5.068 1.00 0.00 N ATOM 404 CA VAL A 149 0.093 -3.964 -3.802 1.00 0.00 C ATOM 405 C VAL A 149 -1.430 -3.921 -3.833 1.00 0.00 C ATOM 406 O VAL A 149 -2.031 -2.854 -3.954 1.00 0.00 O ATOM 407 CB VAL A 149 0.598 -3.091 -2.635 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.426 -3.816 -1.313 1.00 0.00 C ATOM 409 CG2 VAL A 149 2.054 -2.695 -2.845 1.00 0.00 C ATOM 0 H VAL A 149 0.484 -2.548 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 149 0.416 -4.994 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.000 -2.180 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.788 -3.184 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.629 -4.040 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.995 -4.745 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.388 -2.080 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.670 -3.592 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.147 -2.129 -3.772 1.00 0.00 H new ATOM 419 N GLN A 150 -2.049 -5.092 -3.717 1.00 0.00 N ATOM 420 CA GLN A 150 -3.503 -5.192 -3.725 1.00 0.00 C ATOM 421 C GLN A 150 -4.081 -4.723 -2.395 1.00 0.00 C ATOM 422 O GLN A 150 -3.946 -5.400 -1.375 1.00 0.00 O ATOM 423 CB GLN A 150 -3.931 -6.634 -4.008 1.00 0.00 C ATOM 424 CG GLN A 150 -4.907 -6.761 -5.166 1.00 0.00 C ATOM 425 CD GLN A 150 -4.894 -8.142 -5.790 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.033 -9.151 -5.098 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.726 -8.196 -7.107 1.00 0.00 N ATOM 0 H GLN A 150 -1.566 -5.984 -3.616 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.889 -4.547 -4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.045 -7.232 -4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.388 -7.052 -3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.914 -6.535 -4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.661 -6.020 -5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -4.615 -7.335 -7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -4.709 -9.098 -7.582 1.00 0.00 H new ATOM 436 N GLY A 151 -4.720 -3.558 -2.408 1.00 0.00 N ATOM 437 CA GLY A 151 -5.301 -3.019 -1.196 1.00 0.00 C ATOM 438 C GLY A 151 -6.519 -3.793 -0.734 1.00 0.00 C ATOM 439 O GLY A 151 -7.392 -4.125 -1.534 1.00 0.00 O ATOM 0 H GLY A 151 -4.845 -2.978 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.551 -3.025 -0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.579 -1.979 -1.363 1.00 0.00 H new ATOM 443 N THR A 152 -6.576 -4.079 0.564 1.00 0.00 N ATOM 444 CA THR A 152 -7.695 -4.813 1.140 1.00 0.00 C ATOM 445 C THR A 152 -8.426 -3.962 2.176 1.00 0.00 C ATOM 446 O THR A 152 -9.050 -4.489 3.097 1.00 0.00 O ATOM 447 CB THR A 152 -7.202 -6.111 1.781 1.00 0.00 C ATOM 448 OG1 THR A 152 -5.829 -6.017 2.113 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.376 -7.322 0.889 1.00 0.00 C ATOM 0 H THR A 152 -5.857 -3.812 1.237 1.00 0.00 H new ATOM 0 HA THR A 152 -8.393 -5.055 0.339 1.00 0.00 H new ATOM 0 HB THR A 152 -7.815 -6.244 2.672 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.533 -6.857 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.007 -8.209 1.404 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.432 -7.452 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.814 -7.178 -0.034 1.00 0.00 H new ATOM 457 N GLY A 153 -8.337 -2.643 2.025 1.00 0.00 N ATOM 458 CA GLY A 153 -8.987 -1.743 2.960 1.00 0.00 C ATOM 459 C GLY A 153 -10.406 -1.396 2.554 1.00 0.00 C ATOM 460 O GLY A 153 -10.622 -0.550 1.687 1.00 0.00 O ATOM 0 H GLY A 153 -7.826 -2.182 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.999 -2.201 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.403 -0.826 3.040 1.00 0.00 H new ATOM 464 N LYS A 154 -11.375 -2.047 3.192 1.00 0.00 N ATOM 465 CA LYS A 154 -12.786 -1.804 2.905 1.00 0.00 C ATOM 466 C LYS A 154 -13.103 -2.046 1.429 1.00 0.00 C ATOM 467 O LYS A 154 -13.548 -3.131 1.053 1.00 0.00 O ATOM 468 CB LYS A 154 -13.169 -0.375 3.303 1.00 0.00 C ATOM 469 CG LYS A 154 -13.845 -0.284 4.661 1.00 0.00 C ATOM 470 CD LYS A 154 -15.269 -0.815 4.611 1.00 0.00 C ATOM 471 CE LYS A 154 -16.280 0.314 4.483 1.00 0.00 C ATOM 472 NZ LYS A 154 -17.681 -0.182 4.575 1.00 0.00 N ATOM 0 H LYS A 154 -11.208 -2.749 3.913 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.375 -2.507 3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.272 0.244 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.835 0.038 2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.270 -0.850 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -13.854 0.753 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.375 -1.497 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -15.476 -1.390 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -16.103 1.050 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -16.137 0.823 3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -18.339 0.618 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -17.858 -0.866 3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -17.826 -0.645 5.495 1.00 0.00 H new ATOM 486 N ASN A 155 -12.877 -1.032 0.596 1.00 0.00 N ATOM 487 CA ASN A 155 -13.143 -1.143 -0.834 1.00 0.00 C ATOM 488 C ASN A 155 -11.926 -1.674 -1.589 1.00 0.00 C ATOM 489 O ASN A 155 -11.903 -1.673 -2.820 1.00 0.00 O ATOM 490 CB ASN A 155 -13.555 0.216 -1.402 1.00 0.00 C ATOM 491 CG ASN A 155 -14.901 0.678 -0.879 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.936 0.443 -1.501 1.00 0.00 O ATOM 493 ND2 ASN A 155 -14.893 1.341 0.272 1.00 0.00 N ATOM 0 H ASN A 155 -12.511 -0.126 0.888 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.960 -1.853 -0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.797 0.957 -1.150 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.592 0.156 -2.490 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.769 1.677 0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.011 1.514 0.755 1.00 0.00 H new ATOM 500 N GLY A 156 -10.918 -2.131 -0.850 1.00 0.00 N ATOM 501 CA GLY A 156 -9.722 -2.658 -1.479 1.00 0.00 C ATOM 502 C GLY A 156 -8.571 -1.669 -1.469 1.00 0.00 C ATOM 503 O GLY A 156 -7.688 -1.727 -2.325 1.00 0.00 O ATOM 0 H GLY A 156 -10.909 -2.145 0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.417 -3.569 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.949 -2.934 -2.509 1.00 0.00 H new ATOM 507 N ARG A 157 -8.579 -0.760 -0.501 1.00 0.00 N ATOM 508 CA ARG A 157 -7.526 0.244 -0.385 1.00 0.00 C ATOM 509 C ARG A 157 -6.278 -0.352 0.258 1.00 0.00 C ATOM 510 O ARG A 157 -6.368 -1.220 1.126 1.00 0.00 O ATOM 511 CB ARG A 157 -8.022 1.438 0.433 1.00 0.00 C ATOM 512 CG ARG A 157 -6.976 2.522 0.630 1.00 0.00 C ATOM 513 CD ARG A 157 -7.595 3.805 1.160 1.00 0.00 C ATOM 514 NE ARG A 157 -8.777 4.199 0.396 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.703 5.043 0.846 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.588 5.584 2.054 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.745 5.350 0.087 1.00 0.00 N ATOM 0 H ARG A 157 -9.302 -0.697 0.215 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.266 0.585 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.891 1.870 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.355 1.085 1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.213 2.171 1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.476 2.723 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.868 3.670 2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.856 4.606 1.124 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.900 3.804 -0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.787 5.353 2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.301 6.230 2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.838 4.940 -0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.454 5.997 0.432 1.00 0.00 H new ATOM 531 N VAL A 158 -5.111 0.114 -0.179 1.00 0.00 N ATOM 532 CA VAL A 158 -3.845 -0.380 0.349 1.00 0.00 C ATOM 533 C VAL A 158 -3.512 0.273 1.685 1.00 0.00 C ATOM 534 O VAL A 158 -3.483 1.497 1.807 1.00 0.00 O ATOM 535 CB VAL A 158 -2.686 -0.149 -0.650 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.326 -0.247 0.033 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.766 -1.147 -1.791 1.00 0.00 C ATOM 0 H VAL A 158 -5.017 0.832 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 158 -3.961 -1.453 0.502 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.791 0.861 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.537 -0.079 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.258 0.506 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.209 -1.238 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.944 -0.972 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.696 -2.160 -1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.715 -1.027 -2.314 1.00 0.00 H new ATOM 547 N LEU A 159 -3.252 -0.565 2.679 1.00 0.00 N ATOM 548 CA LEU A 159 -2.905 -0.099 4.012 1.00 0.00 C ATOM 549 C LEU A 159 -1.414 -0.282 4.261 1.00 0.00 C ATOM 550 O LEU A 159 -0.746 -1.017 3.534 1.00 0.00 O ATOM 551 CB LEU A 159 -3.704 -0.877 5.059 1.00 0.00 C ATOM 552 CG LEU A 159 -5.216 -0.628 5.045 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.863 -1.197 6.298 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.517 0.859 4.916 1.00 0.00 C ATOM 0 H LEU A 159 -3.276 -1.580 2.584 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.149 0.961 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.526 -1.942 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.320 -0.624 6.047 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.637 -1.138 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.937 -1.010 6.270 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.682 -2.271 6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.434 -0.718 7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.596 1.012 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.081 1.393 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.090 1.237 3.987 1.00 0.00 H new ATOM 566 N LYS A 160 -0.887 0.371 5.291 1.00 0.00 N ATOM 567 CA LYS A 160 0.530 0.236 5.606 1.00 0.00 C ATOM 568 C LYS A 160 0.871 -1.233 5.808 1.00 0.00 C ATOM 569 O LYS A 160 1.965 -1.683 5.467 1.00 0.00 O ATOM 570 CB LYS A 160 0.898 1.041 6.852 1.00 0.00 C ATOM 571 CG LYS A 160 2.398 1.157 7.075 1.00 0.00 C ATOM 572 CD LYS A 160 2.771 0.905 8.527 1.00 0.00 C ATOM 573 CE LYS A 160 4.117 1.520 8.872 1.00 0.00 C ATOM 574 NZ LYS A 160 3.971 2.872 9.478 1.00 0.00 N ATOM 0 H LYS A 160 -1.409 0.989 5.912 1.00 0.00 H new ATOM 0 HA LYS A 160 1.109 0.631 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.472 2.041 6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.443 0.573 7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.917 0.442 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.734 2.151 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.002 1.321 9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.802 -0.168 8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.647 0.867 9.565 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.726 1.590 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 4.912 3.257 9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.487 3.503 8.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.412 2.802 10.352 1.00 0.00 H new ATOM 588 N GLU A 161 -0.091 -1.983 6.338 1.00 0.00 N ATOM 589 CA GLU A 161 0.092 -3.410 6.555 1.00 0.00 C ATOM 590 C GLU A 161 0.253 -4.103 5.210 1.00 0.00 C ATOM 591 O GLU A 161 1.047 -5.031 5.065 1.00 0.00 O ATOM 592 CB GLU A 161 -1.100 -3.996 7.313 1.00 0.00 C ATOM 593 CG GLU A 161 -1.382 -3.300 8.635 1.00 0.00 C ATOM 594 CD GLU A 161 -2.064 -4.210 9.638 1.00 0.00 C ATOM 595 OE1 GLU A 161 -1.419 -5.176 10.098 1.00 0.00 O ATOM 596 OE2 GLU A 161 -3.242 -3.956 9.965 1.00 0.00 O ATOM 0 H GLU A 161 -1.002 -1.625 6.624 1.00 0.00 H new ATOM 0 HA GLU A 161 0.987 -3.569 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.987 -3.934 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.916 -5.054 7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.445 -2.937 9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.010 -2.427 8.456 1.00 0.00 H new ATOM 603 N ASP A 162 -0.497 -3.621 4.220 1.00 0.00 N ATOM 604 CA ASP A 162 -0.425 -4.171 2.873 1.00 0.00 C ATOM 605 C ASP A 162 0.969 -3.953 2.302 1.00 0.00 C ATOM 606 O ASP A 162 1.599 -4.876 1.786 1.00 0.00 O ATOM 607 CB ASP A 162 -1.470 -3.512 1.971 1.00 0.00 C ATOM 608 CG ASP A 162 -2.806 -4.227 2.008 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.825 -5.460 1.807 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.832 -3.553 2.238 1.00 0.00 O ATOM 0 H ASP A 162 -1.159 -2.853 4.328 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.631 -5.240 2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.608 -2.475 2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.100 -3.494 0.946 1.00 0.00 H new ATOM 615 N ILE A 163 1.445 -2.718 2.418 1.00 0.00 N ATOM 616 CA ILE A 163 2.774 -2.348 1.937 1.00 0.00 C ATOM 617 C ILE A 163 3.833 -3.287 2.503 1.00 0.00 C ATOM 618 O ILE A 163 4.620 -3.875 1.761 1.00 0.00 O ATOM 619 CB ILE A 163 3.137 -0.906 2.350 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.028 0.063 1.953 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.465 -0.485 1.726 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.729 0.044 0.479 1.00 0.00 C ATOM 0 H ILE A 163 0.927 -1.950 2.844 1.00 0.00 H new ATOM 0 HA ILE A 163 2.751 -2.421 0.850 1.00 0.00 H new ATOM 0 HB ILE A 163 3.244 -0.879 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.122 -0.185 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.313 1.073 2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.703 0.535 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.254 -1.157 2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.388 -0.531 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.932 0.754 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.624 0.321 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.414 -0.957 0.185 1.00 0.00 H new ATOM 634 N ASP A 164 3.844 -3.420 3.826 1.00 0.00 N ATOM 635 CA ASP A 164 4.804 -4.284 4.499 1.00 0.00 C ATOM 636 C ASP A 164 4.694 -5.718 3.987 1.00 0.00 C ATOM 637 O ASP A 164 5.702 -6.387 3.762 1.00 0.00 O ATOM 638 CB ASP A 164 4.580 -4.251 6.012 1.00 0.00 C ATOM 639 CG ASP A 164 5.709 -4.911 6.779 1.00 0.00 C ATOM 640 OD1 ASP A 164 5.723 -6.159 6.858 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.579 -4.182 7.299 1.00 0.00 O ATOM 0 H ASP A 164 3.198 -2.940 4.452 1.00 0.00 H new ATOM 0 HA ASP A 164 5.806 -3.914 4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.479 -3.216 6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.642 -4.753 6.248 1.00 0.00 H new ATOM 646 N ALA A 165 3.461 -6.181 3.803 1.00 0.00 N ATOM 647 CA ALA A 165 3.216 -7.533 3.315 1.00 0.00 C ATOM 648 C ALA A 165 3.761 -7.709 1.902 1.00 0.00 C ATOM 649 O ALA A 165 4.271 -8.772 1.549 1.00 0.00 O ATOM 650 CB ALA A 165 1.728 -7.847 3.353 1.00 0.00 C ATOM 0 H ALA A 165 2.616 -5.639 3.985 1.00 0.00 H new ATOM 0 HA ALA A 165 3.738 -8.231 3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.560 -8.860 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.366 -7.768 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.190 -7.139 2.722 1.00 0.00 H new ATOM 656 N TRP A 166 3.654 -6.654 1.099 1.00 0.00 N ATOM 657 CA TRP A 166 4.139 -6.681 -0.271 1.00 0.00 C ATOM 658 C TRP A 166 5.636 -6.959 -0.297 1.00 0.00 C ATOM 659 O TRP A 166 6.094 -7.918 -0.919 1.00 0.00 O ATOM 660 CB TRP A 166 3.845 -5.339 -0.938 1.00 0.00 C ATOM 661 CG TRP A 166 4.127 -5.327 -2.406 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.331 -5.802 -3.405 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.295 -4.807 -3.035 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.940 -5.608 -4.622 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.148 -5.000 -4.418 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.450 -4.197 -2.558 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.118 -4.603 -5.332 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.416 -3.800 -3.463 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.245 -4.005 -4.840 1.00 0.00 C ATOM 0 H TRP A 166 3.233 -5.768 1.378 1.00 0.00 H new ATOM 0 HA TRP A 166 3.630 -7.477 -0.815 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.798 -5.083 -0.775 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.441 -4.564 -0.455 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.365 -6.263 -3.262 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.554 -5.874 -5.528 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.590 -4.036 -1.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.986 -4.761 -6.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.317 -3.324 -3.104 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.017 -3.685 -5.524 1.00 0.00 H new ATOM 680 N LEU A 167 6.388 -6.109 0.391 1.00 0.00 N ATOM 681 CA LEU A 167 7.841 -6.249 0.465 1.00 0.00 C ATOM 682 C LEU A 167 8.233 -7.636 0.965 1.00 0.00 C ATOM 683 O LEU A 167 9.263 -8.181 0.571 1.00 0.00 O ATOM 684 CB LEU A 167 8.427 -5.180 1.389 1.00 0.00 C ATOM 685 CG LEU A 167 8.237 -3.741 0.904 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.616 -2.880 1.992 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.559 -3.148 0.439 1.00 0.00 C ATOM 0 H LEU A 167 6.016 -5.312 0.908 1.00 0.00 H new ATOM 0 HA LEU A 167 8.244 -6.118 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 167 7.970 -5.280 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.493 -5.370 1.511 1.00 0.00 H new ATOM 0 HG LEU A 167 7.554 -3.759 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.491 -1.862 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.644 -3.288 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.267 -2.872 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.399 -2.125 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.269 -3.149 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.957 -3.745 -0.381 1.00 0.00 H new ATOM 699 N ALA A 168 7.404 -8.201 1.838 1.00 0.00 N ATOM 700 CA ALA A 168 7.663 -9.523 2.394 1.00 0.00 C ATOM 701 C ALA A 168 6.856 -10.595 1.668 1.00 0.00 C ATOM 702 O ALA A 168 6.551 -11.643 2.235 1.00 0.00 O ATOM 703 CB ALA A 168 7.345 -9.538 3.881 1.00 0.00 C ATOM 0 H ALA A 168 6.547 -7.763 2.175 1.00 0.00 H new ATOM 0 HA ALA A 168 8.720 -9.748 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.542 -10.531 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.969 -8.807 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.295 -9.287 4.031 1.00 0.00 H new ATOM 709 N GLY A 169 6.516 -10.327 0.410 1.00 0.00 N ATOM 710 CA GLY A 169 5.748 -11.281 -0.369 1.00 0.00 C ATOM 711 C GLY A 169 4.443 -11.665 0.302 1.00 0.00 C ATOM 712 O GLY A 169 4.356 -12.707 0.953 1.00 0.00 O ATOM 0 H GLY A 169 6.759 -9.467 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 169 5.537 -10.857 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 169 6.346 -12.177 -0.531 1.00 0.00 H new ATOM 716 N GLY A 170 3.427 -10.824 0.143 1.00 0.00 N ATOM 717 CA GLY A 170 2.136 -11.098 0.744 1.00 0.00 C ATOM 718 C GLY A 170 1.072 -10.107 0.314 1.00 0.00 C ATOM 719 O GLY A 170 1.358 -8.891 0.319 1.00 0.00 O ATOM 720 OXT GLY A 170 -0.046 -10.546 -0.026 1.00 0.00 O ATOM 0 H GLY A 170 3.475 -9.957 -0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 170 1.820 -12.105 0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 170 2.232 -11.075 1.830 1.00 0.00 H new TER 724 GLY A 170