USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=5 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 165:sc= -1.88 (180deg=-2.76) 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 142 LYS NZ :NH3+ 163:sc= 0.0985 (180deg=0.0463) 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= -0.965 K(o=-0.96,f=-4.3!) USER MOD Single : A 160 LYS NZ :NH3+ 155:sc= -0.116 (180deg=-0.494) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 9.662 5.202 15.141 1.00 0.00 N ATOM 2 CA ASN A 126 10.875 5.654 14.411 1.00 0.00 C ATOM 3 C ASN A 126 10.762 5.354 12.919 1.00 0.00 C ATOM 4 O ASN A 126 11.304 6.081 12.086 1.00 0.00 O ATOM 5 CB ASN A 126 12.094 4.943 15.003 1.00 0.00 C ATOM 6 CG ASN A 126 12.871 5.827 15.959 1.00 0.00 C ATOM 7 OD1 ASN A 126 12.438 6.077 17.084 1.00 0.00 O ATOM 8 ND2 ASN A 126 14.027 6.305 15.514 1.00 0.00 N ATOM 0 HA ASN A 126 10.980 6.733 14.522 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.768 4.044 15.527 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.751 4.621 14.195 1.00 0.00 H new ATOM 0 HD21 ASN A 126 14.595 6.905 16.112 1.00 0.00 H new ATOM 0 HD22 ASN A 126 14.347 6.072 14.574 1.00 0.00 H new ATOM 17 N ARG A 127 10.054 4.279 12.589 1.00 0.00 N ATOM 18 CA ARG A 127 9.869 3.882 11.198 1.00 0.00 C ATOM 19 C ARG A 127 8.605 4.508 10.619 1.00 0.00 C ATOM 20 O ARG A 127 7.513 4.343 11.164 1.00 0.00 O ATOM 21 CB ARG A 127 9.796 2.359 11.084 1.00 0.00 C ATOM 22 CG ARG A 127 11.154 1.679 11.126 1.00 0.00 C ATOM 23 CD ARG A 127 11.025 0.169 11.004 1.00 0.00 C ATOM 24 NE ARG A 127 11.968 -0.533 11.874 1.00 0.00 N ATOM 25 CZ ARG A 127 13.261 -0.682 11.598 1.00 0.00 C ATOM 26 NH1 ARG A 127 13.771 -0.176 10.481 1.00 0.00 N ATOM 27 NH2 ARG A 127 14.048 -1.337 12.441 1.00 0.00 N ATOM 0 H ARG A 127 9.599 3.667 13.266 1.00 0.00 H new ATOM 0 HA ARG A 127 10.726 4.240 10.627 1.00 0.00 H new ATOM 0 HB2 ARG A 127 9.180 1.972 11.896 1.00 0.00 H new ATOM 0 HB3 ARG A 127 9.296 2.097 10.151 1.00 0.00 H new ATOM 0 HG2 ARG A 127 11.777 2.059 10.316 1.00 0.00 H new ATOM 0 HG3 ARG A 127 11.658 1.928 12.060 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.008 -0.130 11.256 1.00 0.00 H new ATOM 0 HD3 ARG A 127 11.197 -0.127 9.969 1.00 0.00 H new ATOM 0 HE ARG A 127 11.614 -0.932 12.743 1.00 0.00 H new ATOM 0 HH11 ARG A 127 13.171 0.330 9.830 1.00 0.00 H new ATOM 0 HH12 ARG A 127 14.763 -0.293 10.274 1.00 0.00 H new ATOM 0 HH21 ARG A 127 13.662 -1.727 13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 127 15.039 -1.451 12.229 1.00 0.00 H new ATOM 41 N ARG A 128 8.760 5.227 9.512 1.00 0.00 N ATOM 42 CA ARG A 128 7.629 5.877 8.860 1.00 0.00 C ATOM 43 C ARG A 128 7.162 5.071 7.652 1.00 0.00 C ATOM 44 O ARG A 128 7.957 4.399 6.997 1.00 0.00 O ATOM 45 CB ARG A 128 8.006 7.294 8.427 1.00 0.00 C ATOM 46 CG ARG A 128 6.813 8.231 8.312 1.00 0.00 C ATOM 47 CD ARG A 128 7.007 9.490 9.142 1.00 0.00 C ATOM 48 NE ARG A 128 6.397 9.372 10.464 1.00 0.00 N ATOM 49 CZ ARG A 128 6.699 10.163 11.492 1.00 0.00 C ATOM 50 NH1 ARG A 128 7.601 11.127 11.354 1.00 0.00 N ATOM 51 NH2 ARG A 128 6.097 9.988 12.661 1.00 0.00 N ATOM 0 H ARG A 128 9.656 5.374 9.048 1.00 0.00 H new ATOM 0 HA ARG A 128 6.811 5.931 9.578 1.00 0.00 H new ATOM 0 HB2 ARG A 128 8.715 7.708 9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 128 8.516 7.248 7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 128 6.663 8.503 7.267 1.00 0.00 H new ATOM 0 HG3 ARG A 128 5.911 7.714 8.640 1.00 0.00 H new ATOM 0 HD2 ARG A 128 8.073 9.692 9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 128 6.573 10.341 8.617 1.00 0.00 H new ATOM 0 HE ARG A 128 5.700 8.642 10.608 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.067 11.265 10.457 1.00 0.00 H new ATOM 0 HH12 ARG A 128 7.828 11.730 12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 128 5.404 9.248 12.772 1.00 0.00 H new ATOM 0 HH22 ARG A 128 6.328 10.593 13.449 1.00 0.00 H new ATOM 65 N VAL A 129 5.866 5.146 7.363 1.00 0.00 N ATOM 66 CA VAL A 129 5.293 4.425 6.233 1.00 0.00 C ATOM 67 C VAL A 129 5.685 5.077 4.912 1.00 0.00 C ATOM 68 O VAL A 129 5.694 6.302 4.791 1.00 0.00 O ATOM 69 CB VAL A 129 3.757 4.361 6.327 1.00 0.00 C ATOM 70 CG1 VAL A 129 3.193 3.457 5.243 1.00 0.00 C ATOM 71 CG2 VAL A 129 3.323 3.886 7.706 1.00 0.00 C ATOM 0 H VAL A 129 5.194 5.698 7.896 1.00 0.00 H new ATOM 0 HA VAL A 129 5.692 3.411 6.268 1.00 0.00 H new ATOM 0 HB VAL A 129 3.361 5.365 6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.107 3.424 5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.471 3.846 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.596 2.451 5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.235 3.848 7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.729 2.892 7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.694 4.578 8.462 1.00 0.00 H new ATOM 81 N ILE A 130 6.010 4.250 3.923 1.00 0.00 N ATOM 82 CA ILE A 130 6.404 4.747 2.610 1.00 0.00 C ATOM 83 C ILE A 130 5.487 4.203 1.520 1.00 0.00 C ATOM 84 O ILE A 130 5.337 2.991 1.368 1.00 0.00 O ATOM 85 CB ILE A 130 7.860 4.364 2.278 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.776 4.674 3.464 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.333 5.099 1.032 1.00 0.00 C ATOM 88 CD1 ILE A 130 9.060 3.471 4.336 1.00 0.00 C ATOM 0 H ILE A 130 6.008 3.233 4.006 1.00 0.00 H new ATOM 0 HA ILE A 130 6.320 5.833 2.644 1.00 0.00 H new ATOM 0 HB ILE A 130 7.900 3.293 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.719 5.073 3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.319 5.454 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.363 4.817 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.696 4.833 0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.280 6.174 1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.715 3.763 5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.124 3.084 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.546 2.697 3.742 1.00 0.00 H new ATOM 100 N ALA A 131 4.875 5.107 0.762 1.00 0.00 N ATOM 101 CA ALA A 131 3.974 4.716 -0.316 1.00 0.00 C ATOM 102 C ALA A 131 3.597 5.913 -1.180 1.00 0.00 C ATOM 103 O ALA A 131 3.520 7.042 -0.694 1.00 0.00 O ATOM 104 CB ALA A 131 2.726 4.057 0.253 1.00 0.00 C ATOM 0 H ALA A 131 4.986 6.115 0.874 1.00 0.00 H new ATOM 0 HA ALA A 131 4.495 3.997 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.062 3.770 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.009 3.170 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.212 4.758 0.910 1.00 0.00 H new ATOM 110 N MET A 132 3.359 5.659 -2.462 1.00 0.00 N ATOM 111 CA MET A 132 2.986 6.716 -3.393 1.00 0.00 C ATOM 112 C MET A 132 1.500 7.044 -3.274 1.00 0.00 C ATOM 113 O MET A 132 0.703 6.203 -2.857 1.00 0.00 O ATOM 114 CB MET A 132 3.317 6.300 -4.828 1.00 0.00 C ATOM 115 CG MET A 132 4.738 5.788 -4.999 1.00 0.00 C ATOM 116 SD MET A 132 5.846 7.030 -5.693 1.00 0.00 S ATOM 117 CE MET A 132 5.472 8.437 -4.649 1.00 0.00 C ATOM 0 H MET A 132 3.418 4.730 -2.880 1.00 0.00 H new ATOM 0 HA MET A 132 3.558 7.609 -3.141 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.619 5.524 -5.143 1.00 0.00 H new ATOM 0 HB3 MET A 132 3.165 7.153 -5.489 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.122 5.464 -4.032 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.729 4.912 -5.648 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.247 9.194 -4.767 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.508 8.857 -4.936 1.00 0.00 H new ATOM 0 HE3 MET A 132 5.433 8.117 -3.608 1.00 0.00 H new ATOM 127 N PRO A 133 1.105 8.275 -3.641 1.00 0.00 N ATOM 128 CA PRO A 133 -0.294 8.707 -3.571 1.00 0.00 C ATOM 129 C PRO A 133 -1.239 7.726 -4.256 1.00 0.00 C ATOM 130 O PRO A 133 -2.397 7.586 -3.863 1.00 0.00 O ATOM 131 CB PRO A 133 -0.289 10.048 -4.307 1.00 0.00 C ATOM 132 CG PRO A 133 1.104 10.556 -4.157 1.00 0.00 C ATOM 133 CD PRO A 133 1.989 9.341 -4.149 1.00 0.00 C ATOM 0 HA PRO A 133 -0.649 8.772 -2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.555 9.925 -5.357 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.012 10.740 -3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 133 1.366 11.224 -4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.215 11.125 -3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.364 9.111 -5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 133 2.858 9.482 -3.507 1.00 0.00 H new ATOM 141 N SER A 134 -0.735 7.044 -5.280 1.00 0.00 N ATOM 142 CA SER A 134 -1.533 6.073 -6.016 1.00 0.00 C ATOM 143 C SER A 134 -1.931 4.908 -5.115 1.00 0.00 C ATOM 144 O SER A 134 -3.065 4.431 -5.163 1.00 0.00 O ATOM 145 CB SER A 134 -0.757 5.555 -7.227 1.00 0.00 C ATOM 146 OG SER A 134 -1.054 6.313 -8.386 1.00 0.00 O ATOM 0 H SER A 134 0.222 7.147 -5.618 1.00 0.00 H new ATOM 0 HA SER A 134 -2.439 6.570 -6.362 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.313 5.600 -7.024 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.004 4.508 -7.400 1.00 0.00 H new ATOM 0 HG SER A 134 -0.544 5.963 -9.146 1.00 0.00 H new ATOM 152 N VAL A 135 -0.990 4.458 -4.291 1.00 0.00 N ATOM 153 CA VAL A 135 -1.241 3.352 -3.377 1.00 0.00 C ATOM 154 C VAL A 135 -2.135 3.789 -2.227 1.00 0.00 C ATOM 155 O VAL A 135 -3.112 3.118 -1.899 1.00 0.00 O ATOM 156 CB VAL A 135 0.072 2.779 -2.816 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.196 1.554 -1.954 1.00 0.00 C ATOM 158 CG2 VAL A 135 1.021 2.441 -3.953 1.00 0.00 C ATOM 0 H VAL A 135 -0.047 4.843 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.747 2.573 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 135 0.539 3.535 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.747 1.167 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.842 1.830 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.685 0.787 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.947 2.036 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.558 1.701 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.240 3.343 -4.525 1.00 0.00 H new ATOM 168 N ARG A 136 -1.804 4.925 -1.628 1.00 0.00 N ATOM 169 CA ARG A 136 -2.594 5.456 -0.524 1.00 0.00 C ATOM 170 C ARG A 136 -4.036 5.634 -0.966 1.00 0.00 C ATOM 171 O ARG A 136 -4.969 5.192 -0.295 1.00 0.00 O ATOM 172 CB ARG A 136 -2.024 6.795 -0.053 1.00 0.00 C ATOM 173 CG ARG A 136 -1.084 6.668 1.131 1.00 0.00 C ATOM 174 CD ARG A 136 -1.836 6.714 2.453 1.00 0.00 C ATOM 175 NE ARG A 136 -1.374 7.805 3.310 1.00 0.00 N ATOM 176 CZ ARG A 136 -1.832 9.054 3.238 1.00 0.00 C ATOM 177 NH1 ARG A 136 -2.764 9.378 2.349 1.00 0.00 N ATOM 178 NH2 ARG A 136 -1.357 9.982 4.057 1.00 0.00 N ATOM 0 H ARG A 136 -0.998 5.495 -1.886 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.555 4.751 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.493 7.266 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.847 7.457 0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.532 5.731 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.350 7.473 1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.902 6.832 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.710 5.765 2.975 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.657 7.597 4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.134 8.669 1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.110 10.336 2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.641 9.740 4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -1.707 10.938 4.002 1.00 0.00 H new ATOM 192 N LYS A 137 -4.203 6.271 -2.117 1.00 0.00 N ATOM 193 CA LYS A 137 -5.524 6.497 -2.682 1.00 0.00 C ATOM 194 C LYS A 137 -6.217 5.161 -2.928 1.00 0.00 C ATOM 195 O LYS A 137 -7.407 5.003 -2.648 1.00 0.00 O ATOM 196 CB LYS A 137 -5.408 7.296 -3.987 1.00 0.00 C ATOM 197 CG LYS A 137 -6.610 7.164 -4.911 1.00 0.00 C ATOM 198 CD LYS A 137 -7.862 7.759 -4.285 1.00 0.00 C ATOM 199 CE LYS A 137 -8.131 9.161 -4.807 1.00 0.00 C ATOM 200 NZ LYS A 137 -9.314 9.781 -4.149 1.00 0.00 N ATOM 0 H LYS A 137 -3.436 6.641 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.123 7.074 -1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.266 8.349 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.516 6.969 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.401 7.666 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -6.781 6.112 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -8.718 7.119 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -7.750 7.788 -3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -7.253 9.785 -4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -8.293 9.122 -5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -9.464 10.736 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -10.157 9.199 -4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -9.149 9.842 -3.124 1.00 0.00 H new ATOM 214 N TRP A 138 -5.458 4.197 -3.443 1.00 0.00 N ATOM 215 CA TRP A 138 -5.990 2.872 -3.716 1.00 0.00 C ATOM 216 C TRP A 138 -6.501 2.232 -2.430 1.00 0.00 C ATOM 217 O TRP A 138 -7.621 1.725 -2.377 1.00 0.00 O ATOM 218 CB TRP A 138 -4.907 2.006 -4.364 1.00 0.00 C ATOM 219 CG TRP A 138 -5.255 0.553 -4.443 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.655 -0.463 -3.763 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.277 -0.045 -5.247 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.240 -1.661 -4.094 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.240 -1.431 -5.004 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.220 0.457 -6.148 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.110 -2.320 -5.630 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.082 -0.426 -6.768 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.023 -1.801 -6.506 1.00 0.00 C ATOM 0 H TRP A 138 -4.472 4.312 -3.679 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.829 2.956 -4.407 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.713 2.378 -5.370 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -3.981 2.117 -3.799 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.839 -0.344 -3.066 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -4.974 -2.573 -3.723 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.274 1.516 -6.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.065 -3.381 -5.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.814 -0.050 -7.467 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.713 -2.465 -7.006 1.00 0.00 H new ATOM 238 N ALA A 139 -5.676 2.277 -1.393 1.00 0.00 N ATOM 239 CA ALA A 139 -6.045 1.722 -0.102 1.00 0.00 C ATOM 240 C ALA A 139 -7.268 2.442 0.450 1.00 0.00 C ATOM 241 O ALA A 139 -8.228 1.813 0.887 1.00 0.00 O ATOM 242 CB ALA A 139 -4.880 1.827 0.870 1.00 0.00 C ATOM 0 H ALA A 139 -4.745 2.693 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.292 0.668 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.171 1.407 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.027 1.275 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.606 2.874 0.998 1.00 0.00 H new ATOM 248 N ARG A 140 -7.230 3.770 0.416 1.00 0.00 N ATOM 249 CA ARG A 140 -8.339 4.579 0.905 1.00 0.00 C ATOM 250 C ARG A 140 -9.636 4.207 0.195 1.00 0.00 C ATOM 251 O ARG A 140 -10.720 4.291 0.774 1.00 0.00 O ATOM 252 CB ARG A 140 -8.040 6.065 0.700 1.00 0.00 C ATOM 253 CG ARG A 140 -8.856 6.981 1.599 1.00 0.00 C ATOM 254 CD ARG A 140 -8.047 8.185 2.048 1.00 0.00 C ATOM 255 NE ARG A 140 -6.945 7.806 2.929 1.00 0.00 N ATOM 256 CZ ARG A 140 -6.315 8.657 3.737 1.00 0.00 C ATOM 257 NH1 ARG A 140 -6.674 9.934 3.777 1.00 0.00 N ATOM 258 NH2 ARG A 140 -5.324 8.228 4.507 1.00 0.00 N ATOM 0 H ARG A 140 -6.443 4.308 0.055 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.460 4.383 1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -6.980 6.242 0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.233 6.325 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.746 7.317 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.198 6.425 2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -7.651 8.702 1.174 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -8.700 8.888 2.566 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.640 6.833 2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -7.436 10.268 3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -6.188 10.581 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -5.045 7.247 4.480 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -4.841 8.879 5.126 1.00 0.00 H new ATOM 272 N GLU A 141 -9.520 3.794 -1.064 1.00 0.00 N ATOM 273 CA GLU A 141 -10.686 3.409 -1.852 1.00 0.00 C ATOM 274 C GLU A 141 -11.116 1.979 -1.538 1.00 0.00 C ATOM 275 O GLU A 141 -12.289 1.632 -1.668 1.00 0.00 O ATOM 276 CB GLU A 141 -10.384 3.548 -3.345 1.00 0.00 C ATOM 277 CG GLU A 141 -10.298 4.990 -3.817 1.00 0.00 C ATOM 278 CD GLU A 141 -11.584 5.758 -3.579 1.00 0.00 C ATOM 279 OE1 GLU A 141 -12.637 5.325 -4.092 1.00 0.00 O ATOM 280 OE2 GLU A 141 -11.538 6.793 -2.881 1.00 0.00 O ATOM 0 H GLU A 141 -8.632 3.718 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.506 4.077 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.442 3.046 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -11.159 3.034 -3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -9.479 5.490 -3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -10.060 5.007 -4.881 1.00 0.00 H new ATOM 287 N LYS A 142 -10.159 1.149 -1.129 1.00 0.00 N ATOM 288 CA LYS A 142 -10.445 -0.246 -0.804 1.00 0.00 C ATOM 289 C LYS A 142 -10.700 -0.438 0.692 1.00 0.00 C ATOM 290 O LYS A 142 -11.016 -1.543 1.135 1.00 0.00 O ATOM 291 CB LYS A 142 -9.284 -1.139 -1.249 1.00 0.00 C ATOM 292 CG LYS A 142 -9.726 -2.491 -1.784 1.00 0.00 C ATOM 293 CD LYS A 142 -9.581 -2.568 -3.295 1.00 0.00 C ATOM 294 CE LYS A 142 -10.380 -3.725 -3.873 1.00 0.00 C ATOM 295 NZ LYS A 142 -10.963 -3.388 -5.202 1.00 0.00 N ATOM 0 H LYS A 142 -9.182 1.417 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.351 -0.529 -1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.714 -0.621 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -8.612 -1.294 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.132 -3.279 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -10.765 -2.671 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -9.918 -1.633 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -8.529 -2.685 -3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -9.735 -4.599 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -11.180 -3.994 -3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -11.246 -4.262 -5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -11.796 -2.779 -5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -10.254 -2.887 -5.775 1.00 0.00 H new ATOM 309 N GLY A 143 -10.558 0.633 1.468 1.00 0.00 N ATOM 310 CA GLY A 143 -10.775 0.543 2.901 1.00 0.00 C ATOM 311 C GLY A 143 -9.532 0.103 3.653 1.00 0.00 C ATOM 312 O GLY A 143 -9.608 -0.281 4.821 1.00 0.00 O ATOM 0 H GLY A 143 -10.297 1.560 1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.098 1.513 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.583 -0.161 3.099 1.00 0.00 H new ATOM 316 N VAL A 144 -8.385 0.158 2.983 1.00 0.00 N ATOM 317 CA VAL A 144 -7.120 -0.237 3.588 1.00 0.00 C ATOM 318 C VAL A 144 -6.267 0.981 3.928 1.00 0.00 C ATOM 319 O VAL A 144 -6.276 1.978 3.208 1.00 0.00 O ATOM 320 CB VAL A 144 -6.314 -1.161 2.655 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.078 -1.689 3.370 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.181 -2.307 2.158 1.00 0.00 C ATOM 0 H VAL A 144 -8.307 0.474 2.016 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.365 -0.776 4.503 1.00 0.00 H new ATOM 0 HB VAL A 144 -5.989 -0.582 1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.519 -2.340 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.448 -0.853 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.381 -2.253 4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.594 -2.949 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.538 -2.888 3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.033 -1.907 1.609 1.00 0.00 H new ATOM 332 N ASP A 145 -5.528 0.887 5.028 1.00 0.00 N ATOM 333 CA ASP A 145 -4.662 1.977 5.461 1.00 0.00 C ATOM 334 C ASP A 145 -3.198 1.630 5.209 1.00 0.00 C ATOM 335 O ASP A 145 -2.688 0.638 5.720 1.00 0.00 O ATOM 336 CB ASP A 145 -4.882 2.272 6.946 1.00 0.00 C ATOM 337 CG ASP A 145 -4.308 3.612 7.360 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.106 3.845 7.113 1.00 0.00 O ATOM 339 OD2 ASP A 145 -5.061 4.430 7.931 1.00 0.00 O ATOM 0 H ASP A 145 -5.511 0.068 5.636 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.914 2.866 4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -5.950 2.255 7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.423 1.483 7.542 1.00 0.00 H new ATOM 344 N ILE A 146 -2.524 2.449 4.413 1.00 0.00 N ATOM 345 CA ILE A 146 -1.119 2.215 4.097 1.00 0.00 C ATOM 346 C ILE A 146 -0.294 1.980 5.364 1.00 0.00 C ATOM 347 O ILE A 146 0.729 1.295 5.336 1.00 0.00 O ATOM 348 CB ILE A 146 -0.525 3.394 3.294 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.589 2.898 2.373 1.00 0.00 C ATOM 350 CG2 ILE A 146 -0.009 4.490 4.219 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.093 2.453 1.013 1.00 0.00 C ATOM 0 H ILE A 146 -2.924 3.279 3.975 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.073 1.315 3.483 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.320 3.823 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.322 3.694 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.104 2.066 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.402 5.305 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.829 4.866 4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.769 4.084 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.936 2.114 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.618 1.636 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.396 3.289 0.513 1.00 0.00 H new ATOM 363 N ARG A 147 -0.745 2.564 6.470 1.00 0.00 N ATOM 364 CA ARG A 147 -0.052 2.436 7.749 1.00 0.00 C ATOM 365 C ARG A 147 0.036 0.981 8.212 1.00 0.00 C ATOM 366 O ARG A 147 0.894 0.638 9.026 1.00 0.00 O ATOM 367 CB ARG A 147 -0.755 3.278 8.814 1.00 0.00 C ATOM 368 CG ARG A 147 -0.698 4.774 8.540 1.00 0.00 C ATOM 369 CD ARG A 147 -1.392 5.572 9.633 1.00 0.00 C ATOM 370 NE ARG A 147 -2.541 6.315 9.118 1.00 0.00 N ATOM 371 CZ ARG A 147 -3.057 7.391 9.710 1.00 0.00 C ATOM 372 NH1 ARG A 147 -2.533 7.852 10.839 1.00 0.00 N ATOM 373 NH2 ARG A 147 -4.099 8.007 9.170 1.00 0.00 N ATOM 0 H ARG A 147 -1.591 3.133 6.507 1.00 0.00 H new ATOM 0 HA ARG A 147 0.966 2.799 7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.798 2.968 8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.300 3.077 9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.342 5.091 8.463 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.168 4.986 7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.721 4.897 10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.682 6.266 10.082 1.00 0.00 H new ATOM 0 HE ARG A 147 -2.974 5.990 8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.731 7.382 11.258 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.933 8.676 11.287 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -4.505 7.657 8.302 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -4.495 8.831 9.622 1.00 0.00 H new ATOM 387 N LEU A 148 -0.846 0.127 7.699 1.00 0.00 N ATOM 388 CA LEU A 148 -0.840 -1.284 8.083 1.00 0.00 C ATOM 389 C LEU A 148 -0.367 -2.168 6.935 1.00 0.00 C ATOM 390 O LEU A 148 -0.720 -3.344 6.864 1.00 0.00 O ATOM 391 CB LEU A 148 -2.227 -1.741 8.546 1.00 0.00 C ATOM 392 CG LEU A 148 -3.406 -1.117 7.801 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.623 -1.809 6.464 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.669 -1.193 8.643 1.00 0.00 C ATOM 0 H LEU A 148 -1.567 0.382 7.024 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.142 -1.385 8.914 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.287 -2.824 8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.330 -1.515 9.607 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.174 -0.068 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.467 -1.350 5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.726 -1.708 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.831 -2.866 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.498 -0.744 8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -4.900 -2.236 8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.516 -0.654 9.578 1.00 0.00 H new ATOM 406 N VAL A 149 0.431 -1.603 6.036 1.00 0.00 N ATOM 407 CA VAL A 149 0.940 -2.356 4.897 1.00 0.00 C ATOM 408 C VAL A 149 2.455 -2.219 4.771 1.00 0.00 C ATOM 409 O VAL A 149 2.966 -1.161 4.404 1.00 0.00 O ATOM 410 CB VAL A 149 0.277 -1.902 3.584 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.704 -2.799 2.433 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.239 -1.893 3.728 1.00 0.00 C ATOM 0 H VAL A 149 0.738 -0.631 6.074 1.00 0.00 H new ATOM 0 HA VAL A 149 0.693 -3.403 5.076 1.00 0.00 H new ATOM 0 HB VAL A 149 0.605 -0.886 3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.226 -2.463 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.787 -2.752 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.406 -3.826 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.692 -1.570 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.587 -2.897 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.525 -1.206 4.525 1.00 0.00 H new ATOM 422 N GLN A 150 3.167 -3.300 5.074 1.00 0.00 N ATOM 423 CA GLN A 150 4.623 -3.305 4.993 1.00 0.00 C ATOM 424 C GLN A 150 5.085 -3.396 3.543 1.00 0.00 C ATOM 425 O GLN A 150 5.466 -4.466 3.067 1.00 0.00 O ATOM 426 CB GLN A 150 5.195 -4.473 5.798 1.00 0.00 C ATOM 427 CG GLN A 150 6.714 -4.524 5.802 1.00 0.00 C ATOM 428 CD GLN A 150 7.265 -5.397 6.911 1.00 0.00 C ATOM 429 OE1 GLN A 150 7.617 -4.909 7.985 1.00 0.00 O ATOM 430 NE2 GLN A 150 7.342 -6.698 6.656 1.00 0.00 N ATOM 0 H GLN A 150 2.759 -4.184 5.378 1.00 0.00 H new ATOM 0 HA GLN A 150 4.990 -2.369 5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.840 -4.403 6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.810 -5.408 5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 150 7.064 -4.900 4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 150 7.107 -3.513 5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 150 7.039 -7.059 5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 150 7.704 -7.336 7.365 1.00 0.00 H new ATOM 439 N GLY A 151 5.045 -2.266 2.845 1.00 0.00 N ATOM 440 CA GLY A 151 5.459 -2.235 1.453 1.00 0.00 C ATOM 441 C GLY A 151 6.875 -2.740 1.252 1.00 0.00 C ATOM 442 O GLY A 151 7.719 -2.607 2.137 1.00 0.00 O ATOM 0 H GLY A 151 4.733 -1.370 3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.774 -2.842 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.385 -1.214 1.079 1.00 0.00 H new ATOM 446 N THR A 152 7.134 -3.324 0.085 1.00 0.00 N ATOM 447 CA THR A 152 8.458 -3.852 -0.230 1.00 0.00 C ATOM 448 C THR A 152 9.068 -3.138 -1.436 1.00 0.00 C ATOM 449 O THR A 152 9.946 -3.678 -2.107 1.00 0.00 O ATOM 450 CB THR A 152 8.378 -5.358 -0.502 1.00 0.00 C ATOM 451 OG1 THR A 152 7.098 -5.864 -0.163 1.00 0.00 O ATOM 452 CG2 THR A 152 9.406 -6.159 0.266 1.00 0.00 C ATOM 0 H THR A 152 6.445 -3.443 -0.658 1.00 0.00 H new ATOM 0 HA THR A 152 9.101 -3.675 0.632 1.00 0.00 H new ATOM 0 HB THR A 152 8.575 -5.469 -1.568 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.068 -6.826 -0.346 1.00 0.00 H new ATOM 0 HG21 THR A 152 9.295 -7.217 0.028 1.00 0.00 H new ATOM 0 HG22 THR A 152 10.407 -5.828 -0.012 1.00 0.00 H new ATOM 0 HG23 THR A 152 9.258 -6.010 1.336 1.00 0.00 H new ATOM 460 N GLY A 153 8.599 -1.923 -1.708 1.00 0.00 N ATOM 461 CA GLY A 153 9.113 -1.164 -2.834 1.00 0.00 C ATOM 462 C GLY A 153 10.452 -0.515 -2.539 1.00 0.00 C ATOM 463 O GLY A 153 10.520 0.480 -1.817 1.00 0.00 O ATOM 0 H GLY A 153 7.873 -1.451 -1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.215 -1.824 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.392 -0.393 -3.107 1.00 0.00 H new ATOM 467 N LYS A 154 11.518 -1.077 -3.102 1.00 0.00 N ATOM 468 CA LYS A 154 12.865 -0.548 -2.899 1.00 0.00 C ATOM 469 C LYS A 154 13.210 -0.478 -1.411 1.00 0.00 C ATOM 470 O LYS A 154 13.799 -1.407 -0.859 1.00 0.00 O ATOM 471 CB LYS A 154 12.995 0.837 -3.543 1.00 0.00 C ATOM 472 CG LYS A 154 13.684 0.815 -4.899 1.00 0.00 C ATOM 473 CD LYS A 154 15.103 1.356 -4.812 1.00 0.00 C ATOM 474 CE LYS A 154 15.136 2.866 -4.990 1.00 0.00 C ATOM 475 NZ LYS A 154 15.606 3.255 -6.349 1.00 0.00 N ATOM 0 H LYS A 154 11.476 -1.900 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 154 13.571 -1.226 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.001 1.271 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 154 13.553 1.490 -2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 154 13.705 -0.206 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 154 13.110 1.409 -5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 154 15.535 1.093 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 154 15.721 0.885 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 154 14.139 3.273 -4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 154 15.792 3.306 -4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 15.614 4.292 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 16.567 2.888 -6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 14.965 2.857 -7.065 1.00 0.00 H new ATOM 489 N ASN A 155 12.835 0.624 -0.765 1.00 0.00 N ATOM 490 CA ASN A 155 13.103 0.803 0.657 1.00 0.00 C ATOM 491 C ASN A 155 11.918 0.338 1.502 1.00 0.00 C ATOM 492 O ASN A 155 11.849 0.623 2.697 1.00 0.00 O ATOM 493 CB ASN A 155 13.410 2.272 0.957 1.00 0.00 C ATOM 494 CG ASN A 155 12.244 3.185 0.630 1.00 0.00 C ATOM 495 OD1 ASN A 155 11.192 3.121 1.267 1.00 0.00 O ATOM 496 ND2 ASN A 155 12.424 4.042 -0.369 1.00 0.00 N ATOM 0 H ASN A 155 12.346 1.404 -1.204 1.00 0.00 H new ATOM 0 HA ASN A 155 13.970 0.195 0.915 1.00 0.00 H new ATOM 0 HB2 ASN A 155 13.667 2.379 2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.283 2.582 0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 155 11.674 4.680 -0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 155 13.312 4.062 -0.870 1.00 0.00 H new ATOM 503 N GLY A 156 10.987 -0.378 0.875 1.00 0.00 N ATOM 504 CA GLY A 156 9.822 -0.865 1.588 1.00 0.00 C ATOM 505 C GLY A 156 8.580 -0.047 1.292 1.00 0.00 C ATOM 506 O GLY A 156 7.662 0.019 2.109 1.00 0.00 O ATOM 0 H GLY A 156 11.020 -0.628 -0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.642 -1.905 1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.020 -0.845 2.660 1.00 0.00 H new ATOM 510 N ARG A 157 8.554 0.580 0.120 1.00 0.00 N ATOM 511 CA ARG A 157 7.418 1.401 -0.283 1.00 0.00 C ATOM 512 C ARG A 157 6.255 0.533 -0.750 1.00 0.00 C ATOM 513 O ARG A 157 6.410 -0.301 -1.644 1.00 0.00 O ATOM 514 CB ARG A 157 7.829 2.362 -1.399 1.00 0.00 C ATOM 515 CG ARG A 157 6.790 3.433 -1.692 1.00 0.00 C ATOM 516 CD ARG A 157 7.259 4.391 -2.776 1.00 0.00 C ATOM 517 NE ARG A 157 8.650 4.797 -2.588 1.00 0.00 N ATOM 518 CZ ARG A 157 9.694 4.123 -3.067 1.00 0.00 C ATOM 519 NH1 ARG A 157 9.513 3.011 -3.769 1.00 0.00 N ATOM 520 NH2 ARG A 157 10.924 4.566 -2.848 1.00 0.00 N ATOM 0 H ARG A 157 9.307 0.535 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 157 7.093 1.976 0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.768 2.843 -1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.017 1.791 -2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 157 5.858 2.961 -2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.576 3.991 -0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.149 3.916 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 157 6.621 5.275 -2.778 1.00 0.00 H new ATOM 0 HE ARG A 157 8.833 5.649 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.569 2.667 -3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 157 10.318 2.501 -4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 157 11.070 5.422 -2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 157 11.724 4.051 -3.214 1.00 0.00 H new ATOM 534 N VAL A 158 5.090 0.734 -0.144 1.00 0.00 N ATOM 535 CA VAL A 158 3.900 -0.028 -0.500 1.00 0.00 C ATOM 536 C VAL A 158 3.421 0.329 -1.902 1.00 0.00 C ATOM 537 O VAL A 158 3.109 1.485 -2.188 1.00 0.00 O ATOM 538 CB VAL A 158 2.755 0.218 0.500 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.565 -0.675 0.184 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.233 -0.006 1.926 1.00 0.00 C ATOM 0 H VAL A 158 4.945 1.420 0.597 1.00 0.00 H new ATOM 0 HA VAL A 158 4.177 -1.082 -0.470 1.00 0.00 H new ATOM 0 HB VAL A 158 2.435 1.256 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.767 -0.486 0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.206 -0.460 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.868 -1.720 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.410 0.173 2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.583 -1.033 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.049 0.681 2.148 1.00 0.00 H new ATOM 550 N LEU A 159 3.362 -0.673 -2.773 1.00 0.00 N ATOM 551 CA LEU A 159 2.918 -0.469 -4.146 1.00 0.00 C ATOM 552 C LEU A 159 1.558 -1.123 -4.372 1.00 0.00 C ATOM 553 O LEU A 159 1.055 -1.844 -3.511 1.00 0.00 O ATOM 554 CB LEU A 159 3.942 -1.043 -5.128 1.00 0.00 C ATOM 555 CG LEU A 159 5.407 -0.877 -4.712 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.278 -1.911 -5.409 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.892 0.530 -5.025 1.00 0.00 C ATOM 0 H LEU A 159 3.617 -1.636 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 159 2.824 0.603 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.737 -2.105 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.800 -0.565 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 159 5.481 -1.035 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.316 -1.779 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.944 -2.912 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.200 -1.784 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.935 0.631 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.805 0.715 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.285 1.254 -4.481 1.00 0.00 H new ATOM 569 N LYS A 160 0.968 -0.873 -5.539 1.00 0.00 N ATOM 570 CA LYS A 160 -0.332 -1.446 -5.873 1.00 0.00 C ATOM 571 C LYS A 160 -0.327 -2.956 -5.664 1.00 0.00 C ATOM 572 O LYS A 160 -1.356 -3.555 -5.348 1.00 0.00 O ATOM 573 CB LYS A 160 -0.704 -1.120 -7.322 1.00 0.00 C ATOM 574 CG LYS A 160 -2.057 -1.673 -7.740 1.00 0.00 C ATOM 575 CD LYS A 160 -2.652 -0.880 -8.892 1.00 0.00 C ATOM 576 CE LYS A 160 -2.249 -1.464 -10.236 1.00 0.00 C ATOM 577 NZ LYS A 160 -2.817 -2.825 -10.444 1.00 0.00 N ATOM 0 H LYS A 160 1.368 -0.280 -6.266 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.076 -1.006 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.706 -0.038 -7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.064 -1.520 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.949 -2.717 -8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.739 -1.649 -6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -3.739 -0.874 -8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -2.321 0.157 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -2.587 -0.804 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -1.162 -1.511 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -2.896 -3.016 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -2.193 -3.532 -10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -3.760 -2.878 -10.008 1.00 0.00 H new ATOM 591 N GLU A 161 0.842 -3.565 -5.838 1.00 0.00 N ATOM 592 CA GLU A 161 0.987 -5.004 -5.662 1.00 0.00 C ATOM 593 C GLU A 161 0.898 -5.375 -4.187 1.00 0.00 C ATOM 594 O GLU A 161 0.306 -6.393 -3.826 1.00 0.00 O ATOM 595 CB GLU A 161 2.320 -5.478 -6.243 1.00 0.00 C ATOM 596 CG GLU A 161 2.541 -6.976 -6.116 1.00 0.00 C ATOM 597 CD GLU A 161 3.842 -7.429 -6.752 1.00 0.00 C ATOM 598 OE1 GLU A 161 4.298 -6.766 -7.706 1.00 0.00 O ATOM 599 OE2 GLU A 161 4.403 -8.448 -6.296 1.00 0.00 O ATOM 0 H GLU A 161 1.702 -3.083 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 161 0.174 -5.498 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 161 2.367 -5.200 -7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 161 3.133 -4.955 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 161 2.541 -7.252 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 161 1.709 -7.503 -6.583 1.00 0.00 H new ATOM 606 N ASP A 162 1.488 -4.541 -3.335 1.00 0.00 N ATOM 607 CA ASP A 162 1.470 -4.781 -1.898 1.00 0.00 C ATOM 608 C ASP A 162 0.047 -4.711 -1.363 1.00 0.00 C ATOM 609 O ASP A 162 -0.404 -5.608 -0.649 1.00 0.00 O ATOM 610 CB ASP A 162 2.356 -3.765 -1.175 1.00 0.00 C ATOM 611 CG ASP A 162 3.833 -4.029 -1.388 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.214 -5.213 -1.504 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.610 -3.052 -1.440 1.00 0.00 O ATOM 0 H ASP A 162 1.983 -3.695 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 162 1.863 -5.781 -1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.115 -2.762 -1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.136 -3.790 -0.108 1.00 0.00 H new ATOM 618 N ILE A 163 -0.664 -3.645 -1.719 1.00 0.00 N ATOM 619 CA ILE A 163 -2.043 -3.474 -1.280 1.00 0.00 C ATOM 620 C ILE A 163 -2.899 -4.640 -1.758 1.00 0.00 C ATOM 621 O ILE A 163 -3.587 -5.286 -0.967 1.00 0.00 O ATOM 622 CB ILE A 163 -2.649 -2.154 -1.794 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.733 -0.976 -1.457 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.033 -1.940 -1.199 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.491 -0.804 0.026 1.00 0.00 C ATOM 0 H ILE A 163 -0.309 -2.891 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.033 -3.444 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.744 -2.216 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.776 -1.115 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.171 -0.060 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.448 -1.004 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.684 -2.765 -1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -3.959 -1.898 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -0.833 0.049 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.441 -0.633 0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.024 -1.704 0.425 1.00 0.00 H new ATOM 637 N ASP A 164 -2.840 -4.914 -3.060 1.00 0.00 N ATOM 638 CA ASP A 164 -3.600 -6.012 -3.645 1.00 0.00 C ATOM 639 C ASP A 164 -3.294 -7.316 -2.917 1.00 0.00 C ATOM 640 O ASP A 164 -4.168 -8.166 -2.745 1.00 0.00 O ATOM 641 CB ASP A 164 -3.273 -6.154 -5.133 1.00 0.00 C ATOM 642 CG ASP A 164 -4.273 -5.433 -6.015 1.00 0.00 C ATOM 643 OD1 ASP A 164 -4.167 -4.194 -6.143 1.00 0.00 O ATOM 644 OD2 ASP A 164 -5.161 -6.105 -6.579 1.00 0.00 O ATOM 0 H ASP A 164 -2.274 -4.390 -3.727 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.662 -5.791 -3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.275 -5.759 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -3.254 -7.211 -5.399 1.00 0.00 H new ATOM 649 N ALA A 165 -2.046 -7.460 -2.480 1.00 0.00 N ATOM 650 CA ALA A 165 -1.623 -8.650 -1.756 1.00 0.00 C ATOM 651 C ALA A 165 -2.149 -8.614 -0.328 1.00 0.00 C ATOM 652 O ALA A 165 -2.446 -9.651 0.265 1.00 0.00 O ATOM 653 CB ALA A 165 -0.106 -8.764 -1.764 1.00 0.00 C ATOM 0 H ALA A 165 -1.311 -6.766 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 165 -2.036 -9.527 -2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.195 -9.659 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.249 -8.830 -2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.327 -7.885 -1.286 1.00 0.00 H new ATOM 659 N PHE A 166 -2.268 -7.406 0.214 1.00 0.00 N ATOM 660 CA PHE A 166 -2.768 -7.220 1.568 1.00 0.00 C ATOM 661 C PHE A 166 -4.209 -7.705 1.675 1.00 0.00 C ATOM 662 O PHE A 166 -4.594 -8.333 2.662 1.00 0.00 O ATOM 663 CB PHE A 166 -2.678 -5.745 1.960 1.00 0.00 C ATOM 664 CG PHE A 166 -3.246 -5.446 3.316 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.616 -5.342 3.500 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.412 -5.274 4.407 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.142 -5.071 4.748 1.00 0.00 C ATOM 668 CE2 PHE A 166 -2.931 -5.001 5.657 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.298 -4.901 5.828 1.00 0.00 C ATOM 0 H PHE A 166 -2.024 -6.540 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.154 -7.807 2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.633 -5.435 1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.204 -5.147 1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.279 -5.474 2.658 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.343 -5.354 4.279 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.211 -4.992 4.879 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.269 -4.866 6.500 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.706 -4.690 6.805 1.00 0.00 H new ATOM 679 N LEU A 167 -5.002 -7.408 0.650 1.00 0.00 N ATOM 680 CA LEU A 167 -6.399 -7.807 0.620 1.00 0.00 C ATOM 681 C LEU A 167 -6.540 -9.264 0.191 1.00 0.00 C ATOM 682 O LEU A 167 -7.435 -9.975 0.650 1.00 0.00 O ATOM 683 CB LEU A 167 -7.179 -6.905 -0.336 1.00 0.00 C ATOM 684 CG LEU A 167 -7.373 -5.462 0.137 1.00 0.00 C ATOM 685 CD1 LEU A 167 -7.907 -5.427 1.563 1.00 0.00 C ATOM 686 CD2 LEU A 167 -6.068 -4.688 0.029 1.00 0.00 C ATOM 0 H LEU A 167 -4.696 -6.890 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.806 -7.704 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.663 -6.889 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.160 -7.348 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.110 -4.985 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -8.037 -4.391 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -8.867 -5.942 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.200 -5.922 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -6.223 -3.664 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -5.309 -5.165 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -5.735 -4.679 -1.009 1.00 0.00 H new ATOM 698 N ALA A 168 -5.652 -9.702 -0.696 1.00 0.00 N ATOM 699 CA ALA A 168 -5.678 -11.074 -1.191 1.00 0.00 C ATOM 700 C ALA A 168 -4.701 -11.958 -0.424 1.00 0.00 C ATOM 701 O ALA A 168 -4.151 -12.912 -0.975 1.00 0.00 O ATOM 702 CB ALA A 168 -5.359 -11.101 -2.678 1.00 0.00 C ATOM 0 H ALA A 168 -4.906 -9.127 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.681 -11.470 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -5.381 -12.130 -3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -6.099 -10.512 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -4.368 -10.680 -2.845 1.00 0.00 H new ATOM 708 N GLY A 169 -4.488 -11.638 0.848 1.00 0.00 N ATOM 709 CA GLY A 169 -3.576 -12.416 1.665 1.00 0.00 C ATOM 710 C GLY A 169 -4.285 -13.168 2.775 1.00 0.00 C ATOM 711 O GLY A 169 -3.827 -14.225 3.209 1.00 0.00 O ATOM 0 H GLY A 169 -4.931 -10.854 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 169 -3.043 -13.126 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 169 -2.828 -11.753 2.100 1.00 0.00 H new ATOM 715 N GLY A 170 -5.407 -12.623 3.234 1.00 0.00 N ATOM 716 CA GLY A 170 -6.162 -13.262 4.295 1.00 0.00 C ATOM 717 C GLY A 170 -5.576 -12.995 5.668 1.00 0.00 C ATOM 718 O GLY A 170 -6.339 -12.598 6.572 1.00 0.00 O ATOM 719 OXT GLY A 170 -4.353 -13.185 5.838 1.00 0.00 O ATOM 0 H GLY A 170 -5.807 -11.750 2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 170 -7.192 -12.907 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 170 -6.191 -14.337 4.119 1.00 0.00 H new TER 723 GLY A 170