USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=4 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 139:sc= -0.152 (180deg=-1.34) 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= -0.644 X(o=-0.64,f=-0.53) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -11.812 2.670 -14.395 1.00 0.00 N ATOM 2 CA ASN A 126 -10.478 2.082 -14.680 1.00 0.00 C ATOM 3 C ASN A 126 -9.642 1.974 -13.408 1.00 0.00 C ATOM 4 O ASN A 126 -8.871 1.029 -13.237 1.00 0.00 O ATOM 5 CB ASN A 126 -9.767 2.963 -15.710 1.00 0.00 C ATOM 6 CG ASN A 126 -9.494 2.231 -17.008 1.00 0.00 C ATOM 7 OD1 ASN A 126 -8.416 1.669 -17.203 1.00 0.00 O ATOM 8 ND2 ASN A 126 -10.473 2.232 -17.906 1.00 0.00 N ATOM 0 HA ASN A 126 -10.606 1.074 -15.074 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.377 3.843 -15.914 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.825 3.318 -15.292 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -10.347 1.754 -18.798 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.351 2.710 -17.703 1.00 0.00 H new ATOM 17 N ARG A 127 -9.801 2.948 -12.518 1.00 0.00 N ATOM 18 CA ARG A 127 -9.060 2.965 -11.261 1.00 0.00 C ATOM 19 C ARG A 127 -7.558 3.036 -11.516 1.00 0.00 C ATOM 20 O ARG A 127 -7.078 2.620 -12.570 1.00 0.00 O ATOM 21 CB ARG A 127 -9.389 1.721 -10.434 1.00 0.00 C ATOM 22 CG ARG A 127 -10.618 1.884 -9.553 1.00 0.00 C ATOM 23 CD ARG A 127 -11.769 1.013 -10.032 1.00 0.00 C ATOM 24 NE ARG A 127 -12.720 1.764 -10.849 1.00 0.00 N ATOM 25 CZ ARG A 127 -13.602 1.197 -11.670 1.00 0.00 C ATOM 26 NH1 ARG A 127 -13.655 -0.124 -11.787 1.00 0.00 N ATOM 27 NH2 ARG A 127 -14.431 1.953 -12.375 1.00 0.00 N ATOM 0 H ARG A 127 -10.436 3.736 -12.643 1.00 0.00 H new ATOM 0 HA ARG A 127 -9.359 3.853 -10.704 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.544 0.878 -11.107 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -8.532 1.475 -9.807 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -10.367 1.623 -8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -10.928 2.929 -9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -11.375 0.177 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -12.286 0.589 -9.171 1.00 0.00 H new ATOM 0 HE ARG A 127 -12.707 2.782 -10.787 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -13.018 -0.710 -11.247 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -14.332 -0.553 -12.417 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -14.393 2.969 -12.289 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -15.107 1.519 -13.004 1.00 0.00 H new ATOM 41 N ARG A 128 -6.823 3.566 -10.544 1.00 0.00 N ATOM 42 CA ARG A 128 -5.376 3.690 -10.665 1.00 0.00 C ATOM 43 C ARG A 128 -4.679 3.202 -9.399 1.00 0.00 C ATOM 44 O ARG A 128 -4.045 2.148 -9.395 1.00 0.00 O ATOM 45 CB ARG A 128 -4.988 5.142 -10.955 1.00 0.00 C ATOM 46 CG ARG A 128 -3.607 5.293 -11.571 1.00 0.00 C ATOM 47 CD ARG A 128 -3.681 5.442 -13.082 1.00 0.00 C ATOM 48 NE ARG A 128 -2.767 6.469 -13.577 1.00 0.00 N ATOM 49 CZ ARG A 128 -2.385 6.572 -14.847 1.00 0.00 C ATOM 50 NH1 ARG A 128 -2.838 5.716 -15.756 1.00 0.00 N ATOM 51 NH2 ARG A 128 -1.549 7.535 -15.213 1.00 0.00 N ATOM 0 H ARG A 128 -7.205 3.916 -9.665 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.051 3.065 -11.497 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.726 5.579 -11.628 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -5.026 5.712 -10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -3.110 6.164 -11.143 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -2.999 4.424 -11.320 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -3.443 4.488 -13.552 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -4.701 5.695 -13.372 1.00 0.00 H new ATOM 0 HE ARG A 128 -2.400 7.147 -12.909 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -3.482 4.975 -15.482 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.541 5.800 -16.728 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -1.199 8.197 -14.520 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -1.256 7.613 -16.187 1.00 0.00 H new ATOM 65 N VAL A 129 -4.803 3.975 -8.329 1.00 0.00 N ATOM 66 CA VAL A 129 -4.186 3.622 -7.056 1.00 0.00 C ATOM 67 C VAL A 129 -5.126 3.898 -5.889 1.00 0.00 C ATOM 68 O VAL A 129 -5.756 4.953 -5.819 1.00 0.00 O ATOM 69 CB VAL A 129 -2.868 4.394 -6.834 1.00 0.00 C ATOM 70 CG1 VAL A 129 -2.350 4.191 -5.415 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.822 3.968 -7.854 1.00 0.00 C ATOM 0 H VAL A 129 -5.325 4.851 -8.316 1.00 0.00 H new ATOM 0 HA VAL A 129 -3.971 2.554 -7.098 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.070 5.457 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -1.421 4.745 -5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.091 4.552 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.167 3.130 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.899 4.523 -7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.628 2.900 -7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.188 4.176 -8.859 1.00 0.00 H new ATOM 81 N ILE A 130 -5.200 2.947 -4.965 1.00 0.00 N ATOM 82 CA ILE A 130 -6.045 3.088 -3.788 1.00 0.00 C ATOM 83 C ILE A 130 -5.257 2.772 -2.525 1.00 0.00 C ATOM 84 O ILE A 130 -4.865 1.628 -2.294 1.00 0.00 O ATOM 85 CB ILE A 130 -7.280 2.175 -3.864 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.003 2.393 -5.187 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.220 2.446 -2.698 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.561 1.449 -6.284 1.00 0.00 C ATOM 0 H ILE A 130 -4.683 2.069 -5.010 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.385 4.123 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.952 1.137 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.075 2.276 -5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.840 3.419 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.088 1.790 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.699 2.257 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.547 3.485 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.119 1.664 -7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.495 1.582 -6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.750 0.420 -5.977 1.00 0.00 H new ATOM 100 N ALA A 131 -5.026 3.795 -1.718 1.00 0.00 N ATOM 101 CA ALA A 131 -4.276 3.633 -0.476 1.00 0.00 C ATOM 102 C ALA A 131 -4.416 4.857 0.421 1.00 0.00 C ATOM 103 O ALA A 131 -4.668 5.964 -0.055 1.00 0.00 O ATOM 104 CB ALA A 131 -2.810 3.366 -0.780 1.00 0.00 C ATOM 0 H ALA A 131 -5.345 4.747 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.691 2.778 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.261 3.247 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.721 2.455 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.396 4.204 -1.340 1.00 0.00 H new ATOM 110 N MET A 132 -4.244 4.649 1.722 1.00 0.00 N ATOM 111 CA MET A 132 -4.344 5.733 2.690 1.00 0.00 C ATOM 112 C MET A 132 -3.301 6.811 2.401 1.00 0.00 C ATOM 113 O MET A 132 -2.306 6.557 1.723 1.00 0.00 O ATOM 114 CB MET A 132 -4.163 5.193 4.110 1.00 0.00 C ATOM 115 CG MET A 132 -5.461 5.104 4.898 1.00 0.00 C ATOM 116 SD MET A 132 -5.188 4.805 6.654 1.00 0.00 S ATOM 117 CE MET A 132 -6.077 3.267 6.878 1.00 0.00 C ATOM 0 H MET A 132 -4.034 3.738 2.130 1.00 0.00 H new ATOM 0 HA MET A 132 -5.335 6.179 2.605 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.711 4.203 4.058 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.465 5.835 4.647 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.021 6.031 4.774 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.076 4.303 4.488 1.00 0.00 H new ATOM 0 HE1 MET A 132 -5.503 2.607 7.528 1.00 0.00 H new ATOM 0 HE2 MET A 132 -7.047 3.470 7.332 1.00 0.00 H new ATOM 0 HE3 MET A 132 -6.222 2.787 5.910 1.00 0.00 H new ATOM 127 N PRO A 133 -3.514 8.033 2.917 1.00 0.00 N ATOM 128 CA PRO A 133 -2.583 9.148 2.711 1.00 0.00 C ATOM 129 C PRO A 133 -1.200 8.858 3.286 1.00 0.00 C ATOM 130 O PRO A 133 -0.199 9.412 2.830 1.00 0.00 O ATOM 131 CB PRO A 133 -3.239 10.316 3.458 1.00 0.00 C ATOM 132 CG PRO A 133 -4.193 9.680 4.411 1.00 0.00 C ATOM 133 CD PRO A 133 -4.669 8.424 3.742 1.00 0.00 C ATOM 0 HA PRO A 133 -2.419 9.347 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.496 10.914 3.985 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.756 10.984 2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.706 9.456 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.028 10.346 4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.927 7.653 4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.557 8.601 3.136 1.00 0.00 H new ATOM 141 N SER A 134 -1.151 7.987 4.289 1.00 0.00 N ATOM 142 CA SER A 134 0.108 7.625 4.926 1.00 0.00 C ATOM 143 C SER A 134 0.735 6.408 4.252 1.00 0.00 C ATOM 144 O SER A 134 1.958 6.265 4.221 1.00 0.00 O ATOM 145 CB SER A 134 -0.113 7.337 6.412 1.00 0.00 C ATOM 146 OG SER A 134 -0.081 8.532 7.173 1.00 0.00 O ATOM 0 H SER A 134 -1.970 7.519 4.678 1.00 0.00 H new ATOM 0 HA SER A 134 0.791 8.468 4.820 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.073 6.840 6.550 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.655 6.653 6.771 1.00 0.00 H new ATOM 0 HG SER A 134 -0.226 8.321 8.119 1.00 0.00 H new ATOM 152 N VAL A 135 -0.107 5.530 3.715 1.00 0.00 N ATOM 153 CA VAL A 135 0.373 4.326 3.048 1.00 0.00 C ATOM 154 C VAL A 135 1.097 4.658 1.757 1.00 0.00 C ATOM 155 O VAL A 135 2.190 4.157 1.501 1.00 0.00 O ATOM 156 CB VAL A 135 -0.775 3.354 2.734 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.248 2.114 2.021 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.508 2.985 4.010 1.00 0.00 C ATOM 0 H VAL A 135 -1.122 5.630 3.729 1.00 0.00 H new ATOM 0 HA VAL A 135 1.067 3.849 3.740 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.481 3.845 2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.076 1.438 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.231 2.407 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.478 1.609 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.320 2.296 3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.815 2.508 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.917 3.886 4.468 1.00 0.00 H new ATOM 168 N ARG A 136 0.485 5.503 0.944 1.00 0.00 N ATOM 169 CA ARG A 136 1.088 5.891 -0.322 1.00 0.00 C ATOM 170 C ARG A 136 2.487 6.439 -0.079 1.00 0.00 C ATOM 171 O ARG A 136 3.375 6.301 -0.918 1.00 0.00 O ATOM 172 CB ARG A 136 0.227 6.945 -1.024 1.00 0.00 C ATOM 173 CG ARG A 136 -1.190 6.477 -1.314 1.00 0.00 C ATOM 174 CD ARG A 136 -2.016 7.575 -1.966 1.00 0.00 C ATOM 175 NE ARG A 136 -2.804 7.072 -3.088 1.00 0.00 N ATOM 176 CZ ARG A 136 -3.327 7.849 -4.035 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.151 9.164 -3.995 1.00 0.00 N ATOM 178 NH2 ARG A 136 -4.028 7.310 -5.022 1.00 0.00 N ATOM 0 H ARG A 136 -0.421 5.931 1.135 1.00 0.00 H new ATOM 0 HA ARG A 136 1.153 5.013 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.185 7.840 -0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.706 7.228 -1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.160 5.606 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.668 6.163 -0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.682 8.017 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.355 8.368 -2.314 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.963 6.066 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.613 9.584 -3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.554 9.755 -4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -4.167 6.300 -5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -4.429 7.905 -5.747 1.00 0.00 H new ATOM 192 N LYS A 137 2.678 7.036 1.093 1.00 0.00 N ATOM 193 CA LYS A 137 3.968 7.583 1.475 1.00 0.00 C ATOM 194 C LYS A 137 4.900 6.464 1.913 1.00 0.00 C ATOM 195 O LYS A 137 6.093 6.474 1.607 1.00 0.00 O ATOM 196 CB LYS A 137 3.806 8.603 2.602 1.00 0.00 C ATOM 197 CG LYS A 137 5.111 9.265 3.016 1.00 0.00 C ATOM 198 CD LYS A 137 5.489 10.390 2.067 1.00 0.00 C ATOM 199 CE LYS A 137 6.983 10.397 1.778 1.00 0.00 C ATOM 200 NZ LYS A 137 7.776 10.832 2.960 1.00 0.00 N ATOM 0 H LYS A 137 1.948 7.152 1.796 1.00 0.00 H new ATOM 0 HA LYS A 137 4.400 8.088 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.102 9.373 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.368 8.108 3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.016 9.658 4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.907 8.521 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.937 10.281 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.197 11.347 2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.299 9.398 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.187 11.062 0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.788 10.823 2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.493 11.795 3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.602 10.182 3.753 1.00 0.00 H new ATOM 214 N TYR A 138 4.343 5.501 2.642 1.00 0.00 N ATOM 215 CA TYR A 138 5.121 4.376 3.137 1.00 0.00 C ATOM 216 C TYR A 138 5.612 3.506 1.987 1.00 0.00 C ATOM 217 O TYR A 138 6.794 3.176 1.913 1.00 0.00 O ATOM 218 CB TYR A 138 4.272 3.543 4.089 1.00 0.00 C ATOM 219 CG TYR A 138 4.983 2.308 4.582 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.147 2.404 5.331 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.500 1.044 4.279 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.809 1.274 5.766 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.152 -0.089 4.712 1.00 0.00 C ATOM 224 CZ TYR A 138 6.307 0.028 5.455 1.00 0.00 C ATOM 225 OH TYR A 138 6.962 -1.102 5.885 1.00 0.00 O ATOM 0 H TYR A 138 3.357 5.480 2.901 1.00 0.00 H new ATOM 0 HA TYR A 138 5.990 4.765 3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.985 4.156 4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.352 3.249 3.584 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.541 3.379 5.578 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.598 0.947 3.694 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.715 1.365 6.347 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.760 -1.066 4.470 1.00 0.00 H new ATOM 0 HH TYR A 138 6.476 -1.897 5.582 1.00 0.00 H new ATOM 235 N ALA A 139 4.711 3.163 1.075 1.00 0.00 N ATOM 236 CA ALA A 139 5.079 2.366 -0.083 1.00 0.00 C ATOM 237 C ALA A 139 6.021 3.175 -0.951 1.00 0.00 C ATOM 238 O ALA A 139 7.061 2.692 -1.388 1.00 0.00 O ATOM 239 CB ALA A 139 3.845 1.954 -0.873 1.00 0.00 C ATOM 0 H ALA A 139 3.726 3.424 1.116 1.00 0.00 H new ATOM 0 HA ALA A 139 5.576 1.454 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.147 1.359 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.186 1.363 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.317 2.845 -1.214 1.00 0.00 H new ATOM 245 N ARG A 140 5.655 4.430 -1.169 1.00 0.00 N ATOM 246 CA ARG A 140 6.467 5.337 -1.958 1.00 0.00 C ATOM 247 C ARG A 140 7.886 5.403 -1.398 1.00 0.00 C ATOM 248 O ARG A 140 8.852 5.588 -2.138 1.00 0.00 O ATOM 249 CB ARG A 140 5.828 6.726 -1.952 1.00 0.00 C ATOM 250 CG ARG A 140 6.645 7.793 -2.658 1.00 0.00 C ATOM 251 CD ARG A 140 5.777 8.981 -3.031 1.00 0.00 C ATOM 252 NE ARG A 140 5.891 9.321 -4.448 1.00 0.00 N ATOM 253 CZ ARG A 140 6.901 10.018 -4.964 1.00 0.00 C ATOM 254 NH1 ARG A 140 7.887 10.449 -4.186 1.00 0.00 N ATOM 255 NH2 ARG A 140 6.927 10.285 -6.263 1.00 0.00 N ATOM 0 H ARG A 140 4.795 4.842 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 140 6.521 4.971 -2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.848 6.664 -2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.665 7.034 -0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.459 8.121 -2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.100 7.374 -3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 140 4.737 8.758 -2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 140 6.063 9.842 -2.428 1.00 0.00 H new ATOM 0 HE ARG A 140 5.154 9.006 -5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 140 7.874 10.247 -3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 140 8.658 10.983 -4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 140 6.173 9.956 -6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 140 7.701 10.819 -6.658 1.00 0.00 H new ATOM 269 N GLU A 141 8.000 5.244 -0.080 1.00 0.00 N ATOM 270 CA GLU A 141 9.291 5.277 0.591 1.00 0.00 C ATOM 271 C GLU A 141 9.963 3.915 0.542 1.00 0.00 C ATOM 272 O GLU A 141 11.181 3.813 0.401 1.00 0.00 O ATOM 273 CB GLU A 141 9.112 5.715 2.044 1.00 0.00 C ATOM 274 CG GLU A 141 8.900 7.211 2.208 1.00 0.00 C ATOM 275 CD GLU A 141 10.167 8.009 1.972 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.031 8.032 2.875 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.297 8.609 0.885 1.00 0.00 O ATOM 0 H GLU A 141 7.207 5.091 0.543 1.00 0.00 H new ATOM 0 HA GLU A 141 9.928 5.994 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.260 5.187 2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.991 5.416 2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.131 7.544 1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.529 7.414 3.213 1.00 0.00 H new ATOM 284 N LYS A 142 9.157 2.869 0.672 1.00 0.00 N ATOM 285 CA LYS A 142 9.658 1.503 0.659 1.00 0.00 C ATOM 286 C LYS A 142 9.813 0.970 -0.767 1.00 0.00 C ATOM 287 O LYS A 142 9.759 -0.239 -0.990 1.00 0.00 O ATOM 288 CB LYS A 142 8.700 0.609 1.448 1.00 0.00 C ATOM 289 CG LYS A 142 8.632 0.918 2.941 1.00 0.00 C ATOM 290 CD LYS A 142 9.985 1.312 3.515 1.00 0.00 C ATOM 291 CE LYS A 142 9.867 1.739 4.970 1.00 0.00 C ATOM 292 NZ LYS A 142 11.045 2.536 5.413 1.00 0.00 N ATOM 0 H LYS A 142 8.146 2.943 0.788 1.00 0.00 H new ATOM 0 HA LYS A 142 10.645 1.496 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.701 0.705 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 142 9.003 -0.430 1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.920 1.726 3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.255 0.044 3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.674 0.471 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.408 2.127 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 142 8.960 2.328 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.769 0.855 5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 10.926 2.807 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.909 1.966 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.124 3.392 4.828 1.00 0.00 H new ATOM 306 N GLY A 143 10.008 1.871 -1.730 1.00 0.00 N ATOM 307 CA GLY A 143 10.166 1.451 -3.114 1.00 0.00 C ATOM 308 C GLY A 143 9.022 0.576 -3.595 1.00 0.00 C ATOM 309 O GLY A 143 9.168 -0.180 -4.555 1.00 0.00 O ATOM 0 H GLY A 143 10.059 2.878 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.236 2.333 -3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.104 0.906 -3.219 1.00 0.00 H new ATOM 313 N VAL A 144 7.882 0.684 -2.922 1.00 0.00 N ATOM 314 CA VAL A 144 6.701 -0.094 -3.268 1.00 0.00 C ATOM 315 C VAL A 144 5.607 0.803 -3.835 1.00 0.00 C ATOM 316 O VAL A 144 5.407 1.927 -3.375 1.00 0.00 O ATOM 317 CB VAL A 144 6.153 -0.848 -2.038 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.777 -1.436 -2.318 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.126 -1.935 -1.610 1.00 0.00 C ATOM 0 H VAL A 144 7.752 1.309 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 144 7.000 -0.819 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 144 6.047 -0.133 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.418 -1.961 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.083 -0.634 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.843 -2.135 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.727 -2.459 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.265 -2.642 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.085 -1.485 -1.353 1.00 0.00 H new ATOM 329 N ASP A 145 4.894 0.289 -4.828 1.00 0.00 N ATOM 330 CA ASP A 145 3.811 1.026 -5.454 1.00 0.00 C ATOM 331 C ASP A 145 2.486 0.314 -5.219 1.00 0.00 C ATOM 332 O ASP A 145 2.367 -0.890 -5.452 1.00 0.00 O ATOM 333 CB ASP A 145 4.065 1.182 -6.955 1.00 0.00 C ATOM 334 CG ASP A 145 3.184 2.244 -7.582 1.00 0.00 C ATOM 335 OD1 ASP A 145 1.966 2.247 -7.302 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.710 3.073 -8.353 1.00 0.00 O ATOM 0 H ASP A 145 5.049 -0.641 -5.217 1.00 0.00 H new ATOM 0 HA ASP A 145 3.764 2.018 -5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.112 1.439 -7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.889 0.228 -7.452 1.00 0.00 H new ATOM 341 N ILE A 146 1.493 1.062 -4.760 1.00 0.00 N ATOM 342 CA ILE A 146 0.173 0.499 -4.494 1.00 0.00 C ATOM 343 C ILE A 146 -0.358 -0.256 -5.710 1.00 0.00 C ATOM 344 O ILE A 146 -1.232 -1.114 -5.586 1.00 0.00 O ATOM 345 CB ILE A 146 -0.838 1.596 -4.102 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.278 2.467 -2.974 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.165 0.977 -3.686 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.059 1.714 -1.680 1.00 0.00 C ATOM 0 H ILE A 146 1.574 2.060 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 146 0.287 -0.194 -3.660 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.010 2.229 -4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.668 2.901 -3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.963 3.295 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.865 1.767 -3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.574 0.401 -4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.008 0.320 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.339 2.394 -0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -1.007 1.303 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.649 0.902 -1.847 1.00 0.00 H new ATOM 360 N ARG A 147 0.178 0.059 -6.889 1.00 0.00 N ATOM 361 CA ARG A 147 -0.244 -0.601 -8.117 1.00 0.00 C ATOM 362 C ARG A 147 0.102 -2.083 -8.060 1.00 0.00 C ATOM 363 O ARG A 147 -0.634 -2.928 -8.573 1.00 0.00 O ATOM 364 CB ARG A 147 0.424 0.049 -9.330 1.00 0.00 C ATOM 365 CG ARG A 147 -0.461 1.056 -10.045 1.00 0.00 C ATOM 366 CD ARG A 147 0.116 1.443 -11.397 1.00 0.00 C ATOM 367 NE ARG A 147 -0.404 2.726 -11.866 1.00 0.00 N ATOM 368 CZ ARG A 147 0.132 3.421 -12.866 1.00 0.00 C ATOM 369 NH1 ARG A 147 1.201 2.962 -13.506 1.00 0.00 N ATOM 370 NH2 ARG A 147 -0.402 4.580 -13.229 1.00 0.00 N ATOM 0 H ARG A 147 0.903 0.765 -7.016 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.324 -0.493 -8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.339 0.546 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.716 -0.730 -10.034 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.457 0.635 -10.180 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.573 1.947 -9.427 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.202 1.496 -11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.118 0.668 -12.127 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.225 3.111 -11.400 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.616 2.072 -13.232 1.00 0.00 H new ATOM 0 HH12 ARG A 147 1.607 3.500 -14.272 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.223 4.938 -12.741 1.00 0.00 H new ATOM 0 HH22 ARG A 147 0.009 5.113 -13.996 1.00 0.00 H new ATOM 384 N LEU A 148 1.228 -2.387 -7.426 1.00 0.00 N ATOM 385 CA LEU A 148 1.684 -3.760 -7.284 1.00 0.00 C ATOM 386 C LEU A 148 1.104 -4.398 -6.023 1.00 0.00 C ATOM 387 O LEU A 148 1.363 -5.566 -5.734 1.00 0.00 O ATOM 388 CB LEU A 148 3.212 -3.809 -7.233 1.00 0.00 C ATOM 389 CG LEU A 148 3.924 -2.587 -7.811 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.425 -2.714 -7.637 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.567 -2.408 -9.280 1.00 0.00 C ATOM 0 H LEU A 148 1.844 -1.694 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 148 1.336 -4.323 -8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.521 -3.932 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.549 -4.694 -7.772 1.00 0.00 H new ATOM 0 HG LEU A 148 3.590 -1.704 -7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.915 -1.835 -8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.663 -2.793 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.777 -3.606 -8.155 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.083 -1.533 -9.676 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.872 -3.293 -9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.490 -2.270 -9.379 1.00 0.00 H new ATOM 403 N VAL A 149 0.327 -3.622 -5.269 1.00 0.00 N ATOM 404 CA VAL A 149 -0.274 -4.112 -4.035 1.00 0.00 C ATOM 405 C VAL A 149 -1.796 -4.042 -4.089 1.00 0.00 C ATOM 406 O VAL A 149 -2.368 -3.025 -4.480 1.00 0.00 O ATOM 407 CB VAL A 149 0.215 -3.304 -2.817 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.066 -4.058 -1.528 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.698 -2.980 -2.942 1.00 0.00 C ATOM 0 H VAL A 149 0.101 -2.653 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 149 0.034 -5.152 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.334 -2.363 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.286 -3.472 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.138 -4.227 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.452 -5.017 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.020 -2.409 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.269 -3.907 -3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.867 -2.392 -3.844 1.00 0.00 H new ATOM 419 N GLN A 150 -2.446 -5.127 -3.683 1.00 0.00 N ATOM 420 CA GLN A 150 -3.903 -5.187 -3.671 1.00 0.00 C ATOM 421 C GLN A 150 -4.433 -4.842 -2.284 1.00 0.00 C ATOM 422 O GLN A 150 -4.471 -5.693 -1.395 1.00 0.00 O ATOM 423 CB GLN A 150 -4.381 -6.579 -4.087 1.00 0.00 C ATOM 424 CG GLN A 150 -5.490 -6.555 -5.127 1.00 0.00 C ATOM 425 CD GLN A 150 -5.694 -7.901 -5.795 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.242 -8.125 -6.917 1.00 0.00 O ATOM 427 NE2 GLN A 150 -6.379 -8.805 -5.104 1.00 0.00 N ATOM 0 H GLN A 150 -1.987 -5.978 -3.358 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.287 -4.458 -4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.535 -7.142 -4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.734 -7.112 -3.204 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.421 -6.244 -4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -5.255 -5.809 -5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -6.735 -8.575 -4.176 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -6.549 -9.729 -5.501 1.00 0.00 H new ATOM 436 N GLY A 151 -4.829 -3.588 -2.100 1.00 0.00 N ATOM 437 CA GLY A 151 -5.336 -3.155 -0.816 1.00 0.00 C ATOM 438 C GLY A 151 -6.705 -3.719 -0.498 1.00 0.00 C ATOM 439 O GLY A 151 -7.544 -3.872 -1.385 1.00 0.00 O ATOM 0 H GLY A 151 -4.807 -2.865 -2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.636 -3.454 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.385 -2.066 -0.800 1.00 0.00 H new ATOM 443 N THR A 152 -6.928 -4.024 0.776 1.00 0.00 N ATOM 444 CA THR A 152 -8.205 -4.565 1.225 1.00 0.00 C ATOM 445 C THR A 152 -8.865 -3.623 2.230 1.00 0.00 C ATOM 446 O THR A 152 -9.654 -4.052 3.072 1.00 0.00 O ATOM 447 CB THR A 152 -8.003 -5.945 1.852 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.668 -6.104 2.300 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.305 -7.084 0.902 1.00 0.00 C ATOM 0 H THR A 152 -6.238 -3.905 1.518 1.00 0.00 H new ATOM 0 HA THR A 152 -8.861 -4.662 0.360 1.00 0.00 H new ATOM 0 HB THR A 152 -8.706 -5.989 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.561 -6.993 2.699 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.142 -8.034 1.410 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.343 -7.020 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.648 -7.018 0.035 1.00 0.00 H new ATOM 457 N GLY A 153 -8.528 -2.339 2.141 1.00 0.00 N ATOM 458 CA GLY A 153 -9.088 -1.357 3.053 1.00 0.00 C ATOM 459 C GLY A 153 -10.409 -0.794 2.571 1.00 0.00 C ATOM 460 O GLY A 153 -10.448 -0.001 1.631 1.00 0.00 O ATOM 0 H GLY A 153 -7.877 -1.961 1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.229 -1.816 4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.377 -0.541 3.183 1.00 0.00 H new ATOM 464 N LYS A 154 -11.493 -1.204 3.224 1.00 0.00 N ATOM 465 CA LYS A 154 -12.831 -0.738 2.869 1.00 0.00 C ATOM 466 C LYS A 154 -13.147 -1.021 1.400 1.00 0.00 C ATOM 467 O LYS A 154 -13.762 -2.037 1.076 1.00 0.00 O ATOM 468 CB LYS A 154 -12.969 0.759 3.162 1.00 0.00 C ATOM 469 CG LYS A 154 -13.654 1.059 4.486 1.00 0.00 C ATOM 470 CD LYS A 154 -12.643 1.331 5.588 1.00 0.00 C ATOM 471 CE LYS A 154 -12.045 2.722 5.463 1.00 0.00 C ATOM 472 NZ LYS A 154 -10.784 2.855 6.242 1.00 0.00 N ATOM 0 H LYS A 154 -11.471 -1.860 4.005 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.549 -1.286 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.978 1.213 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.533 1.228 2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -14.309 1.923 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.285 0.216 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -13.126 1.227 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -11.848 0.587 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -11.848 2.940 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -12.767 3.460 5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -10.407 3.818 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -10.976 2.672 7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -10.086 2.168 5.893 1.00 0.00 H new ATOM 486 N ASN A 155 -12.727 -0.120 0.516 1.00 0.00 N ATOM 487 CA ASN A 155 -12.971 -0.280 -0.913 1.00 0.00 C ATOM 488 C ASN A 155 -11.738 -0.835 -1.620 1.00 0.00 C ATOM 489 O ASN A 155 -11.473 -0.507 -2.777 1.00 0.00 O ATOM 490 CB ASN A 155 -13.368 1.059 -1.537 1.00 0.00 C ATOM 491 CG ASN A 155 -12.279 2.106 -1.402 1.00 0.00 C ATOM 492 OD1 ASN A 155 -11.491 2.320 -2.322 1.00 0.00 O ATOM 493 ND2 ASN A 155 -12.232 2.765 -0.251 1.00 0.00 N ATOM 0 H ASN A 155 -12.217 0.727 0.765 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.789 -0.990 -1.037 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.597 0.911 -2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -14.279 1.423 -1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -11.522 3.482 -0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -12.906 2.555 0.485 1.00 0.00 H new ATOM 500 N GLY A 156 -10.989 -1.680 -0.918 1.00 0.00 N ATOM 501 CA GLY A 156 -9.796 -2.268 -1.499 1.00 0.00 C ATOM 502 C GLY A 156 -8.585 -1.360 -1.388 1.00 0.00 C ATOM 503 O GLY A 156 -7.660 -1.448 -2.196 1.00 0.00 O ATOM 0 H GLY A 156 -11.186 -1.967 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.583 -3.214 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.981 -2.494 -2.549 1.00 0.00 H new ATOM 507 N ARG A 157 -8.592 -0.485 -0.389 1.00 0.00 N ATOM 508 CA ARG A 157 -7.487 0.444 -0.175 1.00 0.00 C ATOM 509 C ARG A 157 -6.292 -0.261 0.456 1.00 0.00 C ATOM 510 O ARG A 157 -6.452 -1.090 1.350 1.00 0.00 O ATOM 511 CB ARG A 157 -7.944 1.600 0.718 1.00 0.00 C ATOM 512 CG ARG A 157 -7.152 2.879 0.513 1.00 0.00 C ATOM 513 CD ARG A 157 -8.063 4.093 0.404 1.00 0.00 C ATOM 514 NE ARG A 157 -7.823 5.058 1.475 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.534 6.170 1.643 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.528 6.462 0.813 1.00 0.00 N ATOM 517 NH2 ARG A 157 -8.250 6.994 2.642 1.00 0.00 N ATOM 0 H ARG A 157 -9.351 -0.399 0.287 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.178 0.836 -1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.998 1.801 0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.862 1.296 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.461 3.016 1.344 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.550 2.793 -0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.908 4.577 -0.561 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -9.103 3.769 0.435 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.066 4.868 2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.750 5.832 0.042 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.070 7.316 0.947 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.486 6.776 3.282 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.795 7.846 2.771 1.00 0.00 H new ATOM 531 N VAL A 158 -5.093 0.069 -0.017 1.00 0.00 N ATOM 532 CA VAL A 158 -3.879 -0.544 0.508 1.00 0.00 C ATOM 533 C VAL A 158 -3.555 -0.019 1.900 1.00 0.00 C ATOM 534 O VAL A 158 -3.661 1.177 2.170 1.00 0.00 O ATOM 535 CB VAL A 158 -2.670 -0.311 -0.428 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.354 -0.592 0.284 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.782 -1.181 -1.666 1.00 0.00 C ATOM 0 H VAL A 158 -4.938 0.753 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.068 -1.616 0.568 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.680 0.738 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.525 -0.419 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.257 0.070 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.336 -1.629 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.923 -1.004 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.805 -2.230 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.698 -0.934 -2.203 1.00 0.00 H new ATOM 547 N LEU A 159 -3.151 -0.930 2.773 1.00 0.00 N ATOM 548 CA LEU A 159 -2.794 -0.582 4.139 1.00 0.00 C ATOM 549 C LEU A 159 -1.291 -0.714 4.340 1.00 0.00 C ATOM 550 O LEU A 159 -0.614 -1.387 3.564 1.00 0.00 O ATOM 551 CB LEU A 159 -3.534 -1.495 5.121 1.00 0.00 C ATOM 552 CG LEU A 159 -5.059 -1.337 5.144 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.642 -1.951 6.406 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.456 0.130 5.033 1.00 0.00 C ATOM 0 H LEU A 159 -3.062 -1.923 2.557 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.084 0.452 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.297 -2.531 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.151 -1.308 6.124 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.466 -1.866 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.725 -1.829 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.397 -3.013 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.223 -1.453 7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.542 0.215 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.034 0.686 5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.076 0.540 4.097 1.00 0.00 H new ATOM 566 N LYS A 160 -0.762 -0.084 5.383 1.00 0.00 N ATOM 567 CA LYS A 160 0.668 -0.169 5.653 1.00 0.00 C ATOM 568 C LYS A 160 1.079 -1.630 5.778 1.00 0.00 C ATOM 569 O LYS A 160 2.196 -2.007 5.424 1.00 0.00 O ATOM 570 CB LYS A 160 1.034 0.597 6.923 1.00 0.00 C ATOM 571 CG LYS A 160 2.530 0.814 7.087 1.00 0.00 C ATOM 572 CD LYS A 160 2.965 0.644 8.533 1.00 0.00 C ATOM 573 CE LYS A 160 4.296 1.328 8.799 1.00 0.00 C ATOM 574 NZ LYS A 160 4.298 2.054 10.099 1.00 0.00 N ATOM 0 H LYS A 160 -1.292 0.482 6.046 1.00 0.00 H new ATOM 0 HA LYS A 160 1.206 0.287 4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.533 1.565 6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.656 0.053 7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 160 3.072 0.108 6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.793 1.814 6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.204 1.058 9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 160 3.047 -0.417 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 160 5.093 0.584 8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.512 2.028 7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.223 2.506 10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.554 2.781 10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.118 1.382 10.872 1.00 0.00 H new ATOM 588 N GLU A 161 0.153 -2.455 6.261 1.00 0.00 N ATOM 589 CA GLU A 161 0.405 -3.879 6.402 1.00 0.00 C ATOM 590 C GLU A 161 0.586 -4.494 5.023 1.00 0.00 C ATOM 591 O GLU A 161 1.424 -5.373 4.823 1.00 0.00 O ATOM 592 CB GLU A 161 -0.752 -4.559 7.138 1.00 0.00 C ATOM 593 CG GLU A 161 -1.027 -3.969 8.512 1.00 0.00 C ATOM 594 CD GLU A 161 -1.739 -4.942 9.432 1.00 0.00 C ATOM 595 OE1 GLU A 161 -1.556 -6.165 9.258 1.00 0.00 O ATOM 596 OE2 GLU A 161 -2.479 -4.481 10.325 1.00 0.00 O ATOM 0 H GLU A 161 -0.776 -2.158 6.560 1.00 0.00 H new ATOM 0 HA GLU A 161 1.312 -4.026 6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.654 -4.481 6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.530 -5.621 7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.085 -3.666 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.632 -3.069 8.403 1.00 0.00 H new ATOM 603 N ASP A 162 -0.197 -4.000 4.065 1.00 0.00 N ATOM 604 CA ASP A 162 -0.114 -4.474 2.690 1.00 0.00 C ATOM 605 C ASP A 162 1.267 -4.176 2.125 1.00 0.00 C ATOM 606 O ASP A 162 1.939 -5.054 1.585 1.00 0.00 O ATOM 607 CB ASP A 162 -1.189 -3.804 1.832 1.00 0.00 C ATOM 608 CG ASP A 162 -2.510 -4.546 1.868 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.511 -5.770 1.621 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.543 -3.901 2.143 1.00 0.00 O ATOM 0 H ASP A 162 -0.895 -3.272 4.219 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.280 -5.551 2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.341 -2.782 2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.839 -3.742 0.801 1.00 0.00 H new ATOM 615 N ILE A 163 1.685 -2.924 2.275 1.00 0.00 N ATOM 616 CA ILE A 163 2.995 -2.480 1.804 1.00 0.00 C ATOM 617 C ILE A 163 4.096 -3.383 2.345 1.00 0.00 C ATOM 618 O ILE A 163 4.892 -3.937 1.587 1.00 0.00 O ATOM 619 CB ILE A 163 3.295 -1.035 2.257 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.125 -0.111 1.935 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.577 -0.525 1.609 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.736 -0.132 0.483 1.00 0.00 C ATOM 0 H ILE A 163 1.132 -2.193 2.722 1.00 0.00 H new ATOM 0 HA ILE A 163 2.972 -2.524 0.715 1.00 0.00 H new ATOM 0 HB ILE A 163 3.435 -1.040 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.265 -0.400 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.386 0.908 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.771 0.495 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.410 -1.166 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.467 -0.539 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.898 0.546 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.583 0.186 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.444 -1.143 0.199 1.00 0.00 H new ATOM 634 N ASP A 164 4.131 -3.525 3.667 1.00 0.00 N ATOM 635 CA ASP A 164 5.130 -4.359 4.320 1.00 0.00 C ATOM 636 C ASP A 164 5.086 -5.782 3.771 1.00 0.00 C ATOM 637 O ASP A 164 6.123 -6.411 3.559 1.00 0.00 O ATOM 638 CB ASP A 164 4.906 -4.374 5.833 1.00 0.00 C ATOM 639 CG ASP A 164 6.029 -5.067 6.579 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.073 -4.422 6.813 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.867 -6.256 6.928 1.00 0.00 O ATOM 0 H ASP A 164 3.478 -3.072 4.306 1.00 0.00 H new ATOM 0 HA ASP A 164 6.114 -3.937 4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.813 -3.350 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.964 -4.876 6.053 1.00 0.00 H new ATOM 646 N ALA A 165 3.875 -6.281 3.540 1.00 0.00 N ATOM 647 CA ALA A 165 3.692 -7.625 3.009 1.00 0.00 C ATOM 648 C ALA A 165 4.351 -7.763 1.642 1.00 0.00 C ATOM 649 O ALA A 165 4.953 -8.791 1.333 1.00 0.00 O ATOM 650 CB ALA A 165 2.209 -7.961 2.920 1.00 0.00 C ATOM 0 H ALA A 165 3.007 -5.774 3.713 1.00 0.00 H new ATOM 0 HA ALA A 165 4.171 -8.329 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 165 2.087 -8.968 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.764 -7.908 3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.713 -7.248 2.261 1.00 0.00 H new ATOM 656 N TRP A 166 4.239 -6.717 0.829 1.00 0.00 N ATOM 657 CA TRP A 166 4.831 -6.716 -0.505 1.00 0.00 C ATOM 658 C TRP A 166 6.337 -6.929 -0.420 1.00 0.00 C ATOM 659 O TRP A 166 6.881 -7.863 -1.010 1.00 0.00 O ATOM 660 CB TRP A 166 4.537 -5.394 -1.212 1.00 0.00 C ATOM 661 CG TRP A 166 4.824 -5.426 -2.684 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.769 -4.699 -3.348 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.161 -6.223 -3.672 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.734 -4.994 -4.689 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.756 -5.927 -4.913 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.122 -7.158 -3.630 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.348 -6.532 -6.099 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.718 -7.758 -4.807 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.330 -7.443 -6.028 1.00 0.00 C ATOM 0 H TRP A 166 3.744 -5.859 1.071 1.00 0.00 H new ATOM 0 HA TRP A 166 4.391 -7.533 -1.077 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.489 -5.135 -1.060 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.131 -4.605 -0.751 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.445 -3.995 -2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.338 -4.585 -5.402 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.644 -7.407 -2.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.818 -6.291 -7.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.917 -8.482 -4.786 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.991 -7.929 -6.931 1.00 0.00 H new ATOM 680 N LEU A 167 7.003 -6.050 0.318 1.00 0.00 N ATOM 681 CA LEU A 167 8.449 -6.128 0.492 1.00 0.00 C ATOM 682 C LEU A 167 8.841 -7.413 1.213 1.00 0.00 C ATOM 683 O LEU A 167 9.909 -7.974 0.968 1.00 0.00 O ATOM 684 CB LEU A 167 8.952 -4.913 1.273 1.00 0.00 C ATOM 685 CG LEU A 167 8.572 -3.560 0.666 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.909 -2.670 1.707 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.795 -2.873 0.076 1.00 0.00 C ATOM 0 H LEU A 167 6.563 -5.271 0.808 1.00 0.00 H new ATOM 0 HA LEU A 167 8.912 -6.134 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.560 -4.963 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 167 10.038 -4.970 1.348 1.00 0.00 H new ATOM 0 HG LEU A 167 7.857 -3.737 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.647 -1.714 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.006 -3.155 2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.598 -2.503 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.503 -1.913 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.535 -2.712 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.224 -3.501 -0.705 1.00 0.00 H new ATOM 699 N ALA A 168 7.969 -7.873 2.104 1.00 0.00 N ATOM 700 CA ALA A 168 8.223 -9.092 2.862 1.00 0.00 C ATOM 701 C ALA A 168 7.961 -10.335 2.015 1.00 0.00 C ATOM 702 O ALA A 168 8.523 -11.400 2.269 1.00 0.00 O ATOM 703 CB ALA A 168 7.367 -9.118 4.118 1.00 0.00 C ATOM 0 H ALA A 168 7.081 -7.420 2.319 1.00 0.00 H new ATOM 0 HA ALA A 168 9.274 -9.098 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.566 -10.033 4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.607 -8.255 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.313 -9.084 3.841 1.00 0.00 H new ATOM 709 N GLY A 169 7.105 -10.192 1.007 1.00 0.00 N ATOM 710 CA GLY A 169 6.785 -11.312 0.141 1.00 0.00 C ATOM 711 C GLY A 169 7.441 -11.199 -1.220 1.00 0.00 C ATOM 712 O GLY A 169 6.791 -11.397 -2.248 1.00 0.00 O ATOM 0 H GLY A 169 6.628 -9.321 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 169 7.103 -12.239 0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 169 5.704 -11.373 0.016 1.00 0.00 H new ATOM 716 N GLY A 170 8.730 -10.879 -1.231 1.00 0.00 N ATOM 717 CA GLY A 170 9.452 -10.745 -2.483 1.00 0.00 C ATOM 718 C GLY A 170 9.259 -9.384 -3.121 1.00 0.00 C ATOM 719 O GLY A 170 9.185 -8.384 -2.376 1.00 0.00 O ATOM 720 OXT GLY A 170 9.183 -9.317 -4.366 1.00 0.00 O ATOM 0 H GLY A 170 9.289 -10.710 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 170 10.514 -10.912 -2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 170 9.119 -11.518 -3.176 1.00 0.00 H new TER 724 GLY A 170