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 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0153) USER MOD Single : A 138 TYR OH : rot 122:sc= 0.605 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=-0.11) 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= -0.154 X(o=-0.15,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -10.019 6.927 -14.054 1.00 0.00 N ATOM 2 CA ASN A 126 -9.177 8.035 -13.532 1.00 0.00 C ATOM 3 C ASN A 126 -8.253 7.547 -12.420 1.00 0.00 C ATOM 4 O ASN A 126 -7.053 7.369 -12.630 1.00 0.00 O ATOM 5 CB ASN A 126 -10.096 9.143 -13.012 1.00 0.00 C ATOM 6 CG ASN A 126 -10.066 10.379 -13.888 1.00 0.00 C ATOM 7 OD1 ASN A 126 -10.995 10.634 -14.653 1.00 0.00 O ATOM 8 ND2 ASN A 126 -8.992 11.153 -13.781 1.00 0.00 N ATOM 0 HA ASN A 126 -8.548 8.418 -14.336 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.117 8.767 -12.955 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -9.798 9.412 -11.999 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -8.914 11.998 -14.347 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -8.245 10.902 -13.133 1.00 0.00 H new ATOM 17 N ARG A 127 -8.819 7.333 -11.237 1.00 0.00 N ATOM 18 CA ARG A 127 -8.045 6.865 -10.093 1.00 0.00 C ATOM 19 C ARG A 127 -7.844 5.354 -10.155 1.00 0.00 C ATOM 20 O ARG A 127 -8.806 4.587 -10.098 1.00 0.00 O ATOM 21 CB ARG A 127 -8.741 7.247 -8.785 1.00 0.00 C ATOM 22 CG ARG A 127 -7.777 7.659 -7.685 1.00 0.00 C ATOM 23 CD ARG A 127 -8.512 8.206 -6.473 1.00 0.00 C ATOM 24 NE ARG A 127 -8.752 9.644 -6.581 1.00 0.00 N ATOM 25 CZ ARG A 127 -8.641 10.501 -5.566 1.00 0.00 C ATOM 26 NH1 ARG A 127 -8.305 10.075 -4.354 1.00 0.00 N ATOM 27 NH2 ARG A 127 -8.873 11.792 -5.763 1.00 0.00 N ATOM 0 H ARG A 127 -9.811 7.476 -11.045 1.00 0.00 H new ATOM 0 HA ARG A 127 -7.067 7.346 -10.127 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.433 8.067 -8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -9.336 6.402 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -7.174 6.801 -7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.090 8.415 -8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -9.464 7.687 -6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -7.931 8.002 -5.574 1.00 0.00 H new ATOM 0 HE ARG A 127 -9.022 10.016 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -8.129 9.083 -4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -8.223 10.739 -3.584 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -9.136 12.127 -6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -8.789 12.449 -4.988 1.00 0.00 H new ATOM 41 N ARG A 128 -6.589 4.934 -10.274 1.00 0.00 N ATOM 42 CA ARG A 128 -6.261 3.515 -10.344 1.00 0.00 C ATOM 43 C ARG A 128 -5.658 3.027 -9.031 1.00 0.00 C ATOM 44 O ARG A 128 -5.802 1.860 -8.667 1.00 0.00 O ATOM 45 CB ARG A 128 -5.286 3.254 -11.494 1.00 0.00 C ATOM 46 CG ARG A 128 -5.113 1.780 -11.823 1.00 0.00 C ATOM 47 CD ARG A 128 -4.075 1.569 -12.913 1.00 0.00 C ATOM 48 NE ARG A 128 -4.027 0.180 -13.363 1.00 0.00 N ATOM 49 CZ ARG A 128 -3.477 -0.210 -14.512 1.00 0.00 C ATOM 50 NH1 ARG A 128 -2.925 0.680 -15.327 1.00 0.00 N ATOM 51 NH2 ARG A 128 -3.477 -1.493 -14.845 1.00 0.00 N ATOM 0 H ARG A 128 -5.782 5.556 -10.324 1.00 0.00 H new ATOM 0 HA ARG A 128 -7.184 2.964 -10.524 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.638 3.777 -12.383 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -4.314 3.677 -11.239 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.814 1.239 -10.925 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.068 1.363 -12.143 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.302 2.217 -13.760 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -3.094 1.863 -12.541 1.00 0.00 H new ATOM 0 HE ARG A 128 -4.439 -0.534 -12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.920 1.668 -15.075 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.505 0.376 -16.205 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -3.898 -2.182 -14.222 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.056 -1.792 -15.725 1.00 0.00 H new ATOM 65 N VAL A 129 -4.978 3.925 -8.324 1.00 0.00 N ATOM 66 CA VAL A 129 -4.352 3.580 -7.053 1.00 0.00 C ATOM 67 C VAL A 129 -5.239 3.964 -5.873 1.00 0.00 C ATOM 68 O VAL A 129 -5.790 5.064 -5.827 1.00 0.00 O ATOM 69 CB VAL A 129 -2.977 4.267 -6.896 1.00 0.00 C ATOM 70 CG1 VAL A 129 -2.474 4.161 -5.461 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.967 3.669 -7.865 1.00 0.00 C ATOM 0 H VAL A 129 -4.847 4.895 -8.610 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.212 2.499 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.098 5.324 -7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -1.505 4.652 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.184 4.644 -4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.373 3.111 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -1.005 4.165 -7.740 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.855 2.604 -7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.317 3.809 -8.888 1.00 0.00 H new ATOM 81 N ILE A 130 -5.357 3.053 -4.915 1.00 0.00 N ATOM 82 CA ILE A 130 -6.154 3.290 -3.722 1.00 0.00 C ATOM 83 C ILE A 130 -5.351 2.956 -2.471 1.00 0.00 C ATOM 84 O ILE A 130 -5.031 1.795 -2.218 1.00 0.00 O ATOM 85 CB ILE A 130 -7.455 2.462 -3.737 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.253 2.765 -5.003 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.290 2.753 -2.497 1.00 0.00 C ATOM 88 CD1 ILE A 130 -8.006 1.781 -6.125 1.00 0.00 C ATOM 0 H ILE A 130 -4.907 2.138 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.420 4.347 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.195 1.403 -3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.316 2.767 -4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.003 3.768 -5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.204 2.159 -2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.719 2.496 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.546 3.812 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.606 2.059 -6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.950 1.795 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.284 0.779 -5.798 1.00 0.00 H new ATOM 100 N ALA A 131 -5.021 3.983 -1.699 1.00 0.00 N ATOM 101 CA ALA A 131 -4.245 3.801 -0.477 1.00 0.00 C ATOM 102 C ALA A 131 -4.319 5.037 0.413 1.00 0.00 C ATOM 103 O ALA A 131 -4.485 6.155 -0.073 1.00 0.00 O ATOM 104 CB ALA A 131 -2.796 3.482 -0.819 1.00 0.00 C ATOM 0 H ALA A 131 -5.278 4.950 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.673 2.964 0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.226 3.348 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.754 2.566 -1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.369 4.303 -1.394 1.00 0.00 H new ATOM 110 N MET A 132 -4.190 4.825 1.718 1.00 0.00 N ATOM 111 CA MET A 132 -4.237 5.920 2.680 1.00 0.00 C ATOM 112 C MET A 132 -3.175 6.970 2.362 1.00 0.00 C ATOM 113 O MET A 132 -2.177 6.675 1.703 1.00 0.00 O ATOM 114 CB MET A 132 -4.034 5.383 4.099 1.00 0.00 C ATOM 115 CG MET A 132 -5.314 5.328 4.918 1.00 0.00 C ATOM 116 SD MET A 132 -5.208 6.281 6.446 1.00 0.00 S ATOM 117 CE MET A 132 -4.461 5.079 7.544 1.00 0.00 C ATOM 0 H MET A 132 -4.052 3.904 2.134 1.00 0.00 H new ATOM 0 HA MET A 132 -5.217 6.392 2.613 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.606 4.382 4.042 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.309 6.011 4.616 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.141 5.705 4.317 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.542 4.289 5.158 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.330 5.520 8.532 1.00 0.00 H new ATOM 0 HE2 MET A 132 -5.107 4.205 7.620 1.00 0.00 H new ATOM 0 HE3 MET A 132 -3.490 4.780 7.149 1.00 0.00 H new ATOM 127 N PRO A 133 -3.373 8.214 2.829 1.00 0.00 N ATOM 128 CA PRO A 133 -2.424 9.307 2.592 1.00 0.00 C ATOM 129 C PRO A 133 -1.046 9.008 3.174 1.00 0.00 C ATOM 130 O PRO A 133 -0.039 9.550 2.717 1.00 0.00 O ATOM 131 CB PRO A 133 -3.059 10.506 3.307 1.00 0.00 C ATOM 132 CG PRO A 133 -4.037 9.917 4.266 1.00 0.00 C ATOM 133 CD PRO A 133 -4.530 8.653 3.625 1.00 0.00 C ATOM 0 HA PRO A 133 -2.258 9.475 1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.306 11.098 3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.554 11.170 2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.566 9.710 5.227 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.860 10.605 4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.815 7.908 4.368 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.405 8.832 3.001 1.00 0.00 H new ATOM 141 N SER A 134 -1.008 8.145 4.184 1.00 0.00 N ATOM 142 CA SER A 134 0.247 7.776 4.828 1.00 0.00 C ATOM 143 C SER A 134 0.864 6.550 4.161 1.00 0.00 C ATOM 144 O SER A 134 2.085 6.395 4.135 1.00 0.00 O ATOM 145 CB SER A 134 0.020 7.501 6.315 1.00 0.00 C ATOM 146 OG SER A 134 -0.894 6.436 6.504 1.00 0.00 O ATOM 0 H SER A 134 -1.832 7.688 4.574 1.00 0.00 H new ATOM 0 HA SER A 134 0.939 8.611 4.721 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.970 7.258 6.792 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.360 8.400 6.800 1.00 0.00 H new ATOM 0 HG SER A 134 -1.020 6.280 7.463 1.00 0.00 H new ATOM 152 N VAL A 135 0.014 5.679 3.624 1.00 0.00 N ATOM 153 CA VAL A 135 0.483 4.468 2.961 1.00 0.00 C ATOM 154 C VAL A 135 1.245 4.795 1.692 1.00 0.00 C ATOM 155 O VAL A 135 2.326 4.263 1.452 1.00 0.00 O ATOM 156 CB VAL A 135 -0.680 3.526 2.611 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.165 2.270 1.917 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.459 3.178 3.863 1.00 0.00 C ATOM 0 H VAL A 135 -1.000 5.789 3.635 1.00 0.00 H new ATOM 0 HA VAL A 135 1.148 3.968 3.665 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.351 4.035 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.004 1.617 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.352 2.548 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.526 1.746 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.281 2.510 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.799 2.684 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.858 4.089 4.309 1.00 0.00 H new ATOM 168 N ARG A 136 0.680 5.672 0.879 1.00 0.00 N ATOM 169 CA ARG A 136 1.321 6.062 -0.366 1.00 0.00 C ATOM 170 C ARG A 136 2.731 6.562 -0.087 1.00 0.00 C ATOM 171 O ARG A 136 3.629 6.412 -0.911 1.00 0.00 O ATOM 172 CB ARG A 136 0.509 7.151 -1.070 1.00 0.00 C ATOM 173 CG ARG A 136 -0.610 6.607 -1.943 1.00 0.00 C ATOM 174 CD ARG A 136 -1.709 7.637 -2.145 1.00 0.00 C ATOM 175 NE ARG A 136 -1.193 8.887 -2.700 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.878 9.055 -3.982 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.026 8.057 -4.845 1.00 0.00 N ATOM 178 NH2 ARG A 136 -0.417 10.225 -4.404 1.00 0.00 N ATOM 0 H ARG A 136 -0.216 6.125 1.057 1.00 0.00 H new ATOM 0 HA ARG A 136 1.372 5.191 -1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.082 7.817 -0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.179 7.752 -1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.206 6.310 -2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.029 5.712 -1.484 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.469 7.230 -2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.197 7.838 -1.191 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.067 9.677 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.383 7.156 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.783 8.191 -5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.304 10.996 -3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.176 10.354 -5.387 1.00 0.00 H new ATOM 192 N LYS A 137 2.918 7.136 1.096 1.00 0.00 N ATOM 193 CA LYS A 137 4.218 7.638 1.509 1.00 0.00 C ATOM 194 C LYS A 137 5.110 6.487 1.946 1.00 0.00 C ATOM 195 O LYS A 137 6.306 6.464 1.654 1.00 0.00 O ATOM 196 CB LYS A 137 4.065 8.646 2.651 1.00 0.00 C ATOM 197 CG LYS A 137 5.388 9.199 3.156 1.00 0.00 C ATOM 198 CD LYS A 137 5.467 9.172 4.676 1.00 0.00 C ATOM 199 CE LYS A 137 6.777 8.566 5.157 1.00 0.00 C ATOM 200 NZ LYS A 137 6.620 7.136 5.541 1.00 0.00 N ATOM 0 H LYS A 137 2.179 7.265 1.788 1.00 0.00 H new ATOM 0 HA LYS A 137 4.680 8.141 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.440 9.473 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.541 8.168 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.209 8.616 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.513 10.223 2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.370 10.186 5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.631 8.597 5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.526 8.650 4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.147 9.133 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.555 6.723 5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 6.030 7.069 6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.165 6.616 4.764 1.00 0.00 H new ATOM 214 N TYR A 138 4.515 5.536 2.659 1.00 0.00 N ATOM 215 CA TYR A 138 5.251 4.383 3.150 1.00 0.00 C ATOM 216 C TYR A 138 5.722 3.505 1.997 1.00 0.00 C ATOM 217 O TYR A 138 6.893 3.138 1.929 1.00 0.00 O ATOM 218 CB TYR A 138 4.368 3.575 4.092 1.00 0.00 C ATOM 219 CG TYR A 138 5.032 2.316 4.588 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.197 2.372 5.340 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.505 1.072 4.285 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.816 1.219 5.779 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.115 -0.083 4.721 1.00 0.00 C ATOM 224 CZ TYR A 138 6.270 -0.007 5.468 1.00 0.00 C ATOM 225 OH TYR A 138 6.882 -1.160 5.903 1.00 0.00 O ATOM 0 H TYR A 138 3.526 5.544 2.908 1.00 0.00 H new ATOM 0 HA TYR A 138 6.130 4.737 3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.094 4.195 4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.443 3.313 3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.626 3.332 5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.601 1.006 3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.723 1.278 6.363 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.689 -1.045 4.478 1.00 0.00 H new ATOM 0 HH TYR A 138 6.254 -1.678 6.449 1.00 0.00 H new ATOM 235 N ALA A 139 4.816 3.200 1.076 1.00 0.00 N ATOM 236 CA ALA A 139 5.165 2.402 -0.086 1.00 0.00 C ATOM 237 C ALA A 139 6.148 3.183 -0.936 1.00 0.00 C ATOM 238 O ALA A 139 7.175 2.666 -1.362 1.00 0.00 O ATOM 239 CB ALA A 139 3.924 2.050 -0.893 1.00 0.00 C ATOM 0 H ALA A 139 3.840 3.493 1.113 1.00 0.00 H new ATOM 0 HA ALA A 139 5.622 1.468 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.210 1.452 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.235 1.480 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.437 2.965 -1.229 1.00 0.00 H new ATOM 245 N ARG A 140 5.829 4.453 -1.148 1.00 0.00 N ATOM 246 CA ARG A 140 6.686 5.338 -1.921 1.00 0.00 C ATOM 247 C ARG A 140 8.098 5.352 -1.340 1.00 0.00 C ATOM 248 O ARG A 140 9.079 5.508 -2.067 1.00 0.00 O ATOM 249 CB ARG A 140 6.104 6.752 -1.920 1.00 0.00 C ATOM 250 CG ARG A 140 6.913 7.745 -2.737 1.00 0.00 C ATOM 251 CD ARG A 140 6.074 8.371 -3.841 1.00 0.00 C ATOM 252 NE ARG A 140 6.472 7.898 -5.166 1.00 0.00 N ATOM 253 CZ ARG A 140 5.999 6.790 -5.735 1.00 0.00 C ATOM 254 NH1 ARG A 140 5.108 6.036 -5.104 1.00 0.00 N ATOM 255 NH2 ARG A 140 6.420 6.436 -6.941 1.00 0.00 N ATOM 0 H ARG A 140 4.980 4.893 -0.794 1.00 0.00 H new ATOM 0 HA ARG A 140 6.737 4.972 -2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.087 6.717 -2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 140 6.039 7.108 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.299 8.527 -2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.775 7.241 -3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 140 5.022 8.138 -3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 140 6.171 9.456 -3.799 1.00 0.00 H new ATOM 0 HE ARG A 140 7.154 8.450 -5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.780 6.303 -4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 140 4.751 5.189 -5.547 1.00 0.00 H new ATOM 0 HH21 ARG A 140 7.105 7.011 -7.431 1.00 0.00 H new ATOM 0 HH22 ARG A 140 6.059 5.588 -7.379 1.00 0.00 H new ATOM 269 N GLU A 141 8.189 5.183 -0.024 1.00 0.00 N ATOM 270 CA GLU A 141 9.471 5.170 0.663 1.00 0.00 C ATOM 271 C GLU A 141 10.098 3.785 0.613 1.00 0.00 C ATOM 272 O GLU A 141 11.315 3.643 0.489 1.00 0.00 O ATOM 273 CB GLU A 141 9.292 5.603 2.117 1.00 0.00 C ATOM 274 CG GLU A 141 9.149 7.106 2.290 1.00 0.00 C ATOM 275 CD GLU A 141 10.485 7.822 2.298 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.272 7.602 3.242 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.743 8.604 1.359 1.00 0.00 O ATOM 0 H GLU A 141 7.384 5.053 0.588 1.00 0.00 H new ATOM 0 HA GLU A 141 10.135 5.870 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.409 5.113 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.147 5.258 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.533 7.504 1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.625 7.312 3.223 1.00 0.00 H new ATOM 284 N LYS A 142 9.255 2.767 0.719 1.00 0.00 N ATOM 285 CA LYS A 142 9.710 1.386 0.698 1.00 0.00 C ATOM 286 C LYS A 142 9.878 0.867 -0.731 1.00 0.00 C ATOM 287 O LYS A 142 9.801 -0.338 -0.971 1.00 0.00 O ATOM 288 CB LYS A 142 8.707 0.512 1.453 1.00 0.00 C ATOM 289 CG LYS A 142 8.631 0.788 2.953 1.00 0.00 C ATOM 290 CD LYS A 142 9.991 1.125 3.545 1.00 0.00 C ATOM 291 CE LYS A 142 9.884 1.466 5.022 1.00 0.00 C ATOM 292 NZ LYS A 142 11.219 1.694 5.639 1.00 0.00 N ATOM 0 H LYS A 142 8.246 2.874 0.821 1.00 0.00 H new ATOM 0 HA LYS A 142 10.686 1.342 1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.718 0.658 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.970 -0.535 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.943 1.614 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.222 -0.085 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.666 0.280 3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.425 1.967 3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.271 2.359 5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.376 0.656 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.101 1.924 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.796 0.834 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.694 2.484 5.157 1.00 0.00 H new ATOM 306 N GLY A 143 10.107 1.775 -1.680 1.00 0.00 N ATOM 307 CA GLY A 143 10.278 1.371 -3.066 1.00 0.00 C ATOM 308 C GLY A 143 9.123 0.525 -3.572 1.00 0.00 C ATOM 309 O GLY A 143 9.267 -0.230 -4.533 1.00 0.00 O ATOM 0 H GLY A 143 10.177 2.779 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.375 2.259 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.207 0.809 -3.165 1.00 0.00 H new ATOM 313 N VAL A 144 7.975 0.654 -2.916 1.00 0.00 N ATOM 314 CA VAL A 144 6.783 -0.096 -3.285 1.00 0.00 C ATOM 315 C VAL A 144 5.712 0.827 -3.857 1.00 0.00 C ATOM 316 O VAL A 144 5.538 1.956 -3.397 1.00 0.00 O ATOM 317 CB VAL A 144 6.205 -0.848 -2.066 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.813 -1.392 -2.361 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.142 -1.965 -1.640 1.00 0.00 C ATOM 0 H VAL A 144 7.846 1.277 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 144 7.077 -0.818 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 144 6.114 -0.139 -1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.434 -1.916 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.145 -0.567 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.863 -2.083 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.721 -2.485 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.268 -2.668 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.111 -1.544 -1.371 1.00 0.00 H new ATOM 329 N ASP A 145 4.988 0.332 -4.852 1.00 0.00 N ATOM 330 CA ASP A 145 3.923 1.096 -5.479 1.00 0.00 C ATOM 331 C ASP A 145 2.584 0.410 -5.244 1.00 0.00 C ATOM 332 O ASP A 145 2.443 -0.791 -5.478 1.00 0.00 O ATOM 333 CB ASP A 145 4.182 1.249 -6.980 1.00 0.00 C ATOM 334 CG ASP A 145 3.246 2.251 -7.627 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.117 2.421 -7.124 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.644 2.866 -8.640 1.00 0.00 O ATOM 0 H ASP A 145 5.122 -0.601 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 145 3.897 2.090 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.213 1.564 -7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.067 0.281 -7.467 1.00 0.00 H new ATOM 341 N ILE A 146 1.604 1.174 -4.779 1.00 0.00 N ATOM 342 CA ILE A 146 0.277 0.630 -4.512 1.00 0.00 C ATOM 343 C ILE A 146 -0.263 -0.129 -5.723 1.00 0.00 C ATOM 344 O ILE A 146 -1.136 -0.986 -5.590 1.00 0.00 O ATOM 345 CB ILE A 146 -0.724 1.737 -4.123 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.109 2.692 -3.095 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.002 1.124 -3.574 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.323 2.010 -1.815 1.00 0.00 C ATOM 0 H ILE A 146 1.701 2.169 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 146 0.385 -0.058 -3.674 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.965 2.309 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.753 3.187 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.834 3.470 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.699 1.917 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.455 0.486 -4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.770 0.529 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.749 2.748 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.540 1.539 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 146 1.072 1.251 -2.042 1.00 0.00 H new ATOM 360 N ARG A 147 0.267 0.184 -6.904 1.00 0.00 N ATOM 361 CA ARG A 147 -0.163 -0.478 -8.132 1.00 0.00 C ATOM 362 C ARG A 147 0.174 -1.962 -8.078 1.00 0.00 C ATOM 363 O ARG A 147 -0.559 -2.798 -8.605 1.00 0.00 O ATOM 364 CB ARG A 147 0.506 0.164 -9.348 1.00 0.00 C ATOM 365 CG ARG A 147 -0.170 1.445 -9.808 1.00 0.00 C ATOM 366 CD ARG A 147 0.762 2.293 -10.658 1.00 0.00 C ATOM 367 NE ARG A 147 0.110 3.508 -11.138 1.00 0.00 N ATOM 368 CZ ARG A 147 0.767 4.574 -11.589 1.00 0.00 C ATOM 369 NH1 ARG A 147 2.095 4.580 -11.619 1.00 0.00 N ATOM 370 NH2 ARG A 147 0.096 5.637 -12.010 1.00 0.00 N ATOM 0 H ARG A 147 0.992 0.889 -7.035 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.243 -0.363 -8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.547 0.378 -9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.509 -0.551 -10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.064 1.200 -10.381 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.495 2.018 -8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.643 2.561 -10.074 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.110 1.708 -11.509 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.909 3.542 -11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 147 2.616 3.765 -11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 147 2.594 5.400 -11.966 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.924 5.638 -11.988 1.00 0.00 H new ATOM 0 HH22 ARG A 147 0.600 6.454 -12.356 1.00 0.00 H new ATOM 384 N LEU A 148 1.289 -2.277 -7.432 1.00 0.00 N ATOM 385 CA LEU A 148 1.735 -3.652 -7.295 1.00 0.00 C ATOM 386 C LEU A 148 1.107 -4.312 -6.069 1.00 0.00 C ATOM 387 O LEU A 148 1.299 -5.504 -5.828 1.00 0.00 O ATOM 388 CB LEU A 148 3.261 -3.704 -7.188 1.00 0.00 C ATOM 389 CG LEU A 148 3.998 -2.504 -7.786 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.496 -2.636 -7.571 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.678 -2.365 -9.267 1.00 0.00 C ATOM 0 H LEU A 148 1.903 -1.591 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 148 1.417 -4.200 -8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.533 -3.789 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.613 -4.609 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 148 3.658 -1.602 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.003 -1.773 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.707 -2.684 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.854 -3.546 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.211 -1.506 -9.675 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.988 -3.268 -9.793 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.605 -2.221 -9.395 1.00 0.00 H new ATOM 403 N VAL A 149 0.359 -3.529 -5.292 1.00 0.00 N ATOM 404 CA VAL A 149 -0.288 -4.040 -4.091 1.00 0.00 C ATOM 405 C VAL A 149 -1.803 -4.091 -4.258 1.00 0.00 C ATOM 406 O VAL A 149 -2.391 -3.252 -4.942 1.00 0.00 O ATOM 407 CB VAL A 149 0.050 -3.174 -2.862 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.335 -3.893 -1.580 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.528 -2.803 -2.853 1.00 0.00 C ATOM 0 H VAL A 149 0.188 -2.540 -5.475 1.00 0.00 H new ATOM 0 HA VAL A 149 0.091 -5.050 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.529 -2.252 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.089 -3.266 -0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.406 -4.097 -1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.213 -4.833 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.744 -2.192 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.131 -3.711 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.768 -2.241 -3.756 1.00 0.00 H new ATOM 419 N GLN A 150 -2.428 -5.077 -3.625 1.00 0.00 N ATOM 420 CA GLN A 150 -3.876 -5.238 -3.698 1.00 0.00 C ATOM 421 C GLN A 150 -4.535 -4.785 -2.398 1.00 0.00 C ATOM 422 O GLN A 150 -4.556 -5.523 -1.413 1.00 0.00 O ATOM 423 CB GLN A 150 -4.233 -6.699 -3.986 1.00 0.00 C ATOM 424 CG GLN A 150 -5.131 -6.878 -5.200 1.00 0.00 C ATOM 425 CD GLN A 150 -5.241 -8.328 -5.633 1.00 0.00 C ATOM 426 OE1 GLN A 150 -4.233 -9.003 -5.843 1.00 0.00 O ATOM 427 NE2 GLN A 150 -6.469 -8.814 -5.767 1.00 0.00 N ATOM 0 H GLN A 150 -1.955 -5.778 -3.055 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.249 -4.615 -4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.314 -7.266 -4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.729 -7.122 -3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.125 -6.494 -4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.742 -6.284 -6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -7.276 -8.218 -5.582 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -6.605 -9.783 -6.055 1.00 0.00 H new ATOM 436 N GLY A 151 -5.067 -3.567 -2.401 1.00 0.00 N ATOM 437 CA GLY A 151 -5.714 -3.039 -1.216 1.00 0.00 C ATOM 438 C GLY A 151 -6.877 -3.894 -0.755 1.00 0.00 C ATOM 439 O GLY A 151 -7.777 -4.201 -1.536 1.00 0.00 O ATOM 0 H GLY A 151 -5.061 -2.937 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.983 -2.963 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.069 -2.029 -1.420 1.00 0.00 H new ATOM 443 N THR A 152 -6.856 -4.283 0.516 1.00 0.00 N ATOM 444 CA THR A 152 -7.916 -5.109 1.083 1.00 0.00 C ATOM 445 C THR A 152 -8.631 -4.379 2.219 1.00 0.00 C ATOM 446 O THR A 152 -9.186 -5.010 3.119 1.00 0.00 O ATOM 447 CB THR A 152 -7.341 -6.432 1.591 1.00 0.00 C ATOM 448 OG1 THR A 152 -5.955 -6.306 1.858 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.519 -7.576 0.617 1.00 0.00 C ATOM 0 H THR A 152 -6.115 -4.039 1.174 1.00 0.00 H new ATOM 0 HA THR A 152 -8.643 -5.314 0.297 1.00 0.00 H new ATOM 0 HB THR A 152 -7.899 -6.660 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.605 -7.162 2.184 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.089 -8.484 1.040 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.581 -7.731 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.015 -7.338 -0.320 1.00 0.00 H new ATOM 457 N GLY A 153 -8.608 -3.050 2.179 1.00 0.00 N ATOM 458 CA GLY A 153 -9.252 -2.268 3.219 1.00 0.00 C ATOM 459 C GLY A 153 -10.462 -1.501 2.720 1.00 0.00 C ATOM 460 O GLY A 153 -10.461 -0.977 1.609 1.00 0.00 O ATOM 0 H GLY A 153 -8.156 -2.502 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.557 -2.931 4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.531 -1.566 3.637 1.00 0.00 H new ATOM 464 N LYS A 154 -11.495 -1.434 3.553 1.00 0.00 N ATOM 465 CA LYS A 154 -12.723 -0.723 3.208 1.00 0.00 C ATOM 466 C LYS A 154 -13.263 -1.163 1.844 1.00 0.00 C ATOM 467 O LYS A 154 -14.046 -2.109 1.758 1.00 0.00 O ATOM 468 CB LYS A 154 -12.482 0.790 3.226 1.00 0.00 C ATOM 469 CG LYS A 154 -12.869 1.452 4.538 1.00 0.00 C ATOM 470 CD LYS A 154 -14.379 1.528 4.701 1.00 0.00 C ATOM 471 CE LYS A 154 -14.981 2.598 3.803 1.00 0.00 C ATOM 472 NZ LYS A 154 -14.986 3.935 4.459 1.00 0.00 N ATOM 0 H LYS A 154 -11.507 -1.866 4.477 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.475 -0.972 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.428 0.984 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.048 1.249 2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.440 0.892 5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.447 2.456 4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.821 0.560 4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.624 1.744 5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -14.415 2.652 2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -16.001 2.319 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -15.404 4.636 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -15.547 3.891 5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -14.010 4.213 4.688 1.00 0.00 H new ATOM 486 N ASN A 155 -12.852 -0.472 0.781 1.00 0.00 N ATOM 487 CA ASN A 155 -13.311 -0.800 -0.565 1.00 0.00 C ATOM 488 C ASN A 155 -12.165 -1.305 -1.439 1.00 0.00 C ATOM 489 O ASN A 155 -12.227 -1.220 -2.665 1.00 0.00 O ATOM 490 CB ASN A 155 -13.958 0.424 -1.216 1.00 0.00 C ATOM 491 CG ASN A 155 -15.223 0.857 -0.501 1.00 0.00 C ATOM 492 OD1 ASN A 155 -16.327 0.453 -0.869 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.070 1.683 0.527 1.00 0.00 N ATOM 0 H ASN A 155 -12.205 0.315 0.827 1.00 0.00 H new ATOM 0 HA ASN A 155 -14.049 -1.598 -0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.246 1.249 -1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -14.191 0.198 -2.257 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.886 2.008 1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.137 1.993 0.798 1.00 0.00 H new ATOM 500 N GLY A 156 -11.125 -1.838 -0.805 1.00 0.00 N ATOM 501 CA GLY A 156 -9.991 -2.351 -1.552 1.00 0.00 C ATOM 502 C GLY A 156 -8.791 -1.423 -1.514 1.00 0.00 C ATOM 503 O GLY A 156 -7.962 -1.433 -2.424 1.00 0.00 O ATOM 0 H GLY A 156 -11.047 -1.924 0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.706 -3.322 -1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.288 -2.511 -2.589 1.00 0.00 H new ATOM 507 N ARG A 157 -8.700 -0.619 -0.461 1.00 0.00 N ATOM 508 CA ARG A 157 -7.597 0.323 -0.304 1.00 0.00 C ATOM 509 C ARG A 157 -6.384 -0.361 0.321 1.00 0.00 C ATOM 510 O ARG A 157 -6.526 -1.276 1.132 1.00 0.00 O ATOM 511 CB ARG A 157 -8.039 1.506 0.561 1.00 0.00 C ATOM 512 CG ARG A 157 -6.928 2.500 0.859 1.00 0.00 C ATOM 513 CD ARG A 157 -7.402 3.603 1.793 1.00 0.00 C ATOM 514 NE ARG A 157 -8.202 4.608 1.095 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.521 4.526 0.927 1.00 0.00 C ATOM 516 NH1 ARG A 157 -10.198 3.486 1.401 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.167 5.488 0.282 1.00 0.00 N ATOM 0 H ARG A 157 -9.379 -0.600 0.300 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.312 0.688 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.854 2.027 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.436 1.127 1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.083 1.979 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.572 2.939 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.992 3.166 2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.539 4.083 2.254 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.721 5.422 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.708 2.742 1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.208 3.431 1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.654 6.290 -0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.177 5.426 0.153 1.00 0.00 H new ATOM 531 N VAL A 158 -5.191 0.086 -0.063 1.00 0.00 N ATOM 532 CA VAL A 158 -3.957 -0.489 0.462 1.00 0.00 C ATOM 533 C VAL A 158 -3.630 0.071 1.840 1.00 0.00 C ATOM 534 O VAL A 158 -3.761 1.270 2.089 1.00 0.00 O ATOM 535 CB VAL A 158 -2.765 -0.240 -0.493 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.432 -0.422 0.223 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.846 -1.170 -1.691 1.00 0.00 C ATOM 0 H VAL A 158 -5.053 0.842 -0.734 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.119 -1.564 0.546 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.824 0.792 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.616 -0.240 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.365 0.283 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.361 -1.440 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -2.001 -0.984 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.819 -2.205 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.776 -0.990 -2.229 1.00 0.00 H new ATOM 547 N LEU A 159 -3.194 -0.812 2.726 1.00 0.00 N ATOM 548 CA LEU A 159 -2.830 -0.430 4.082 1.00 0.00 C ATOM 549 C LEU A 159 -1.328 -0.584 4.289 1.00 0.00 C ATOM 550 O LEU A 159 -0.653 -1.238 3.497 1.00 0.00 O ATOM 551 CB LEU A 159 -3.584 -1.303 5.088 1.00 0.00 C ATOM 552 CG LEU A 159 -5.099 -1.081 5.143 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.683 -1.704 6.400 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.433 0.403 5.078 1.00 0.00 C ATOM 0 H LEU A 159 -3.083 -1.806 2.527 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.101 0.614 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.395 -2.350 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.171 -1.124 6.081 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.545 -1.567 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.760 -1.537 6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.482 -2.775 6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.226 -1.247 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.514 0.535 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.973 0.917 5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.051 0.821 4.147 1.00 0.00 H new ATOM 566 N LYS A 160 -0.801 0.005 5.358 1.00 0.00 N ATOM 567 CA LYS A 160 0.624 -0.106 5.639 1.00 0.00 C ATOM 568 C LYS A 160 1.011 -1.575 5.745 1.00 0.00 C ATOM 569 O LYS A 160 2.107 -1.972 5.351 1.00 0.00 O ATOM 570 CB LYS A 160 0.991 0.629 6.929 1.00 0.00 C ATOM 571 CG LYS A 160 2.477 0.583 7.249 1.00 0.00 C ATOM 572 CD LYS A 160 2.966 1.906 7.818 1.00 0.00 C ATOM 573 CE LYS A 160 4.390 1.797 8.338 1.00 0.00 C ATOM 574 NZ LYS A 160 4.716 2.889 9.297 1.00 0.00 N ATOM 0 H LYS A 160 -1.331 0.556 6.034 1.00 0.00 H new ATOM 0 HA LYS A 160 1.174 0.358 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.677 1.669 6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.435 0.192 7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.672 -0.216 7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 160 3.038 0.345 6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.917 2.675 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.306 2.222 8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.525 0.832 8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 160 5.086 1.830 7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.696 2.779 9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.612 3.809 8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.068 2.842 10.109 1.00 0.00 H new ATOM 588 N GLU A 161 0.085 -2.382 6.258 1.00 0.00 N ATOM 589 CA GLU A 161 0.313 -3.812 6.386 1.00 0.00 C ATOM 590 C GLU A 161 0.488 -4.420 5.002 1.00 0.00 C ATOM 591 O GLU A 161 1.307 -5.317 4.801 1.00 0.00 O ATOM 592 CB GLU A 161 -0.854 -4.479 7.114 1.00 0.00 C ATOM 593 CG GLU A 161 -1.241 -3.785 8.409 1.00 0.00 C ATOM 594 CD GLU A 161 -2.741 -3.761 8.632 1.00 0.00 C ATOM 595 OE1 GLU A 161 -3.305 -4.816 8.991 1.00 0.00 O ATOM 596 OE2 GLU A 161 -3.351 -2.687 8.448 1.00 0.00 O ATOM 0 H GLU A 161 -0.827 -2.067 6.590 1.00 0.00 H new ATOM 0 HA GLU A 161 1.217 -3.978 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.719 -4.502 6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.592 -5.514 7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.761 -4.292 9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -0.863 -2.763 8.396 1.00 0.00 H new ATOM 603 N ASP A 162 -0.278 -3.901 4.044 1.00 0.00 N ATOM 604 CA ASP A 162 -0.197 -4.370 2.666 1.00 0.00 C ATOM 605 C ASP A 162 1.191 -4.082 2.108 1.00 0.00 C ATOM 606 O ASP A 162 1.854 -4.965 1.564 1.00 0.00 O ATOM 607 CB ASP A 162 -1.260 -3.686 1.806 1.00 0.00 C ATOM 608 CG ASP A 162 -2.586 -4.419 1.824 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.593 -5.642 1.568 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.618 -3.770 2.095 1.00 0.00 O ATOM 0 H ASP A 162 -0.959 -3.158 4.198 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.377 -5.445 2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.408 -2.666 2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.901 -3.617 0.779 1.00 0.00 H new ATOM 615 N ILE A 163 1.621 -2.836 2.267 1.00 0.00 N ATOM 616 CA ILE A 163 2.936 -2.404 1.803 1.00 0.00 C ATOM 617 C ILE A 163 4.023 -3.322 2.347 1.00 0.00 C ATOM 618 O ILE A 163 4.815 -3.885 1.591 1.00 0.00 O ATOM 619 CB ILE A 163 3.252 -0.963 2.255 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.091 -0.025 1.934 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.541 -0.468 1.604 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.718 -0.020 0.477 1.00 0.00 C ATOM 0 H ILE A 163 1.074 -2.102 2.717 1.00 0.00 H new ATOM 0 HA ILE A 163 2.916 -2.444 0.714 1.00 0.00 H new ATOM 0 HB ILE A 163 3.393 -0.968 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.222 -0.318 2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.356 0.988 2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.748 0.550 1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.367 -1.118 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.430 -0.482 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.887 0.667 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.574 0.301 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.423 -1.024 0.174 1.00 0.00 H new ATOM 634 N ASP A 164 4.050 -3.470 3.669 1.00 0.00 N ATOM 635 CA ASP A 164 5.035 -4.321 4.323 1.00 0.00 C ATOM 636 C ASP A 164 4.945 -5.747 3.791 1.00 0.00 C ATOM 637 O ASP A 164 5.957 -6.435 3.656 1.00 0.00 O ATOM 638 CB ASP A 164 4.824 -4.314 5.838 1.00 0.00 C ATOM 639 CG ASP A 164 6.132 -4.368 6.603 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.874 -5.360 6.441 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.414 -3.419 7.364 1.00 0.00 O ATOM 0 H ASP A 164 3.400 -3.011 4.307 1.00 0.00 H new ATOM 0 HA ASP A 164 6.027 -3.927 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.277 -3.415 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.206 -5.166 6.120 1.00 0.00 H new ATOM 646 N ALA A 165 3.726 -6.179 3.481 1.00 0.00 N ATOM 647 CA ALA A 165 3.503 -7.519 2.954 1.00 0.00 C ATOM 648 C ALA A 165 4.201 -7.687 1.612 1.00 0.00 C ATOM 649 O ALA A 165 4.790 -8.731 1.330 1.00 0.00 O ATOM 650 CB ALA A 165 2.012 -7.792 2.817 1.00 0.00 C ATOM 0 H ALA A 165 2.879 -5.620 3.586 1.00 0.00 H new ATOM 0 HA ALA A 165 3.925 -8.241 3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.861 -8.797 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.536 -7.711 3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.570 -7.064 2.136 1.00 0.00 H new ATOM 656 N TRP A 166 4.137 -6.645 0.789 1.00 0.00 N ATOM 657 CA TRP A 166 4.770 -6.664 -0.524 1.00 0.00 C ATOM 658 C TRP A 166 6.268 -6.912 -0.393 1.00 0.00 C ATOM 659 O TRP A 166 6.810 -7.856 -0.967 1.00 0.00 O ATOM 660 CB TRP A 166 4.527 -5.337 -1.243 1.00 0.00 C ATOM 661 CG TRP A 166 4.824 -5.384 -2.711 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.795 -4.688 -3.372 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.146 -6.165 -3.700 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.762 -4.987 -4.711 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.757 -5.891 -4.939 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.080 -7.069 -3.661 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.340 -6.489 -6.125 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.667 -7.663 -4.839 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.295 -7.370 -6.057 1.00 0.00 C ATOM 0 H TRP A 166 3.652 -5.775 1.009 1.00 0.00 H new ATOM 0 HA TRP A 166 4.331 -7.474 -1.106 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.487 -5.042 -1.101 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.143 -4.566 -0.781 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.488 -4.002 -2.908 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.384 -4.600 -5.421 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.588 -7.299 -2.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.824 -6.266 -7.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.846 -8.365 -4.820 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.947 -7.849 -6.960 1.00 0.00 H new ATOM 680 N LEU A 167 6.928 -6.050 0.372 1.00 0.00 N ATOM 681 CA LEU A 167 8.365 -6.159 0.594 1.00 0.00 C ATOM 682 C LEU A 167 8.705 -7.426 1.370 1.00 0.00 C ATOM 683 O LEU A 167 9.787 -7.993 1.210 1.00 0.00 O ATOM 684 CB LEU A 167 8.867 -4.931 1.354 1.00 0.00 C ATOM 685 CG LEU A 167 8.513 -3.590 0.710 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.842 -2.669 1.718 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.754 -2.933 0.127 1.00 0.00 C ATOM 0 H LEU A 167 6.488 -5.264 0.851 1.00 0.00 H new ATOM 0 HA LEU A 167 8.858 -6.212 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.457 -4.953 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.951 -4.998 1.449 1.00 0.00 H new ATOM 0 HG LEU A 167 7.810 -3.776 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.599 -1.721 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.928 -3.135 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.518 -2.490 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.482 -1.980 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.482 -2.763 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.189 -3.585 -0.631 1.00 0.00 H new ATOM 699 N ALA A 168 7.776 -7.865 2.211 1.00 0.00 N ATOM 700 CA ALA A 168 7.976 -9.065 3.016 1.00 0.00 C ATOM 701 C ALA A 168 7.383 -10.295 2.334 1.00 0.00 C ATOM 702 O ALA A 168 6.936 -11.229 3.000 1.00 0.00 O ATOM 703 CB ALA A 168 7.365 -8.881 4.395 1.00 0.00 C ATOM 0 H ALA A 168 6.876 -7.408 2.354 1.00 0.00 H new ATOM 0 HA ALA A 168 9.049 -9.224 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.521 -9.784 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.839 -8.035 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.296 -8.692 4.297 1.00 0.00 H new ATOM 709 N GLY A 169 7.385 -10.292 1.004 1.00 0.00 N ATOM 710 CA GLY A 169 6.846 -11.415 0.260 1.00 0.00 C ATOM 711 C GLY A 169 5.368 -11.632 0.525 1.00 0.00 C ATOM 712 O GLY A 169 4.994 -12.494 1.320 1.00 0.00 O ATOM 0 H GLY A 169 7.750 -9.532 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 169 7.000 -11.248 -0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 169 7.396 -12.319 0.524 1.00 0.00 H new ATOM 716 N GLY A 170 4.528 -10.849 -0.143 1.00 0.00 N ATOM 717 CA GLY A 170 3.094 -10.976 0.038 1.00 0.00 C ATOM 718 C GLY A 170 2.407 -11.573 -1.175 1.00 0.00 C ATOM 719 O GLY A 170 2.934 -12.561 -1.729 1.00 0.00 O ATOM 720 OXT GLY A 170 1.341 -11.055 -1.569 1.00 0.00 O ATOM 0 H GLY A 170 4.814 -10.129 -0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 170 2.895 -11.601 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 170 2.669 -9.994 0.246 1.00 0.00 H new TER 724 GLY A 170