USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 351 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 GLN : amide:sc=-0.000319 X(o=-0.00032,f=-0.096) USER MOD Single : A 127 ASN : amide:sc= -0.0277 K(o=-0.028,f=-1.5!) USER MOD Single : A 128 ASN : amide:sc= -0.478 K(o=-0.48,f=-3.5!) USER MOD Single : A 132 SER OG : rot 180:sc= -1.2 USER MOD Single : A 142 HIS :FLIP no HE2:sc= -17.7! C(o=-19!,f=-18!) USER MOD Single : A 143 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -58:sc= 1.09 USER MOD Single : A 159 THR OG1 : rot -31:sc= -0.445! USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 126 -13.902 13.310 -2.664 1.00 0.00 N ATOM 2 CA GLN A 126 -15.094 13.499 -3.531 1.00 0.00 C ATOM 3 C GLN A 126 -14.966 12.701 -4.826 1.00 0.00 C ATOM 4 O GLN A 126 -15.951 12.172 -5.340 1.00 0.00 O ATOM 5 CB GLN A 126 -15.240 14.990 -3.840 1.00 0.00 C ATOM 6 CG GLN A 126 -16.241 15.701 -2.943 1.00 0.00 C ATOM 7 CD GLN A 126 -15.678 16.969 -2.329 1.00 0.00 C ATOM 8 OE1 GLN A 126 -14.612 16.954 -1.713 1.00 0.00 O ATOM 9 NE2 GLN A 126 -16.395 18.075 -2.493 1.00 0.00 N ATOM 0 HA GLN A 126 -15.979 13.136 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -14.267 15.471 -3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.547 15.109 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -17.131 15.947 -3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -16.554 15.025 -2.148 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -17.273 18.041 -3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -16.067 18.958 -2.101 1.00 0.00 H new ATOM 20 N ASN A 127 -13.745 12.619 -5.346 1.00 0.00 N ATOM 21 CA ASN A 127 -13.489 11.886 -6.581 1.00 0.00 C ATOM 22 C ASN A 127 -13.149 10.428 -6.287 1.00 0.00 C ATOM 23 O ASN A 127 -13.988 9.541 -6.438 1.00 0.00 O ATOM 24 CB ASN A 127 -12.351 12.543 -7.365 1.00 0.00 C ATOM 25 CG ASN A 127 -12.779 13.837 -8.030 1.00 0.00 C ATOM 26 OD1 ASN A 127 -13.971 14.108 -8.177 1.00 0.00 O ATOM 27 ND2 ASN A 127 -11.807 14.643 -8.437 1.00 0.00 N ATOM 0 H ASN A 127 -12.919 13.050 -4.932 1.00 0.00 H new ATOM 0 HA ASN A 127 -14.396 11.913 -7.185 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -11.517 12.742 -6.692 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -11.989 11.850 -8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -12.035 15.527 -8.892 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -10.832 14.379 -8.295 1.00 0.00 H new ATOM 34 N ASN A 128 -11.912 10.192 -5.866 1.00 0.00 N ATOM 35 CA ASN A 128 -11.457 8.843 -5.549 1.00 0.00 C ATOM 36 C ASN A 128 -10.160 8.880 -4.746 1.00 0.00 C ATOM 37 O ASN A 128 -9.235 9.624 -5.073 1.00 0.00 O ATOM 38 CB ASN A 128 -11.250 8.038 -6.833 1.00 0.00 C ATOM 39 CG ASN A 128 -10.192 8.646 -7.734 1.00 0.00 C ATOM 40 OD1 ASN A 128 -10.085 9.867 -7.849 1.00 0.00 O ATOM 41 ND2 ASN A 128 -9.404 7.793 -8.379 1.00 0.00 N ATOM 0 H ASN A 128 -11.206 10.917 -5.736 1.00 0.00 H new ATOM 0 HA ASN A 128 -12.225 8.361 -4.944 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -10.962 7.018 -6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -12.193 7.976 -7.376 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -8.674 8.143 -9.000 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -9.529 6.788 -8.253 1.00 0.00 H new ATOM 48 N ASP A 129 -10.099 8.071 -3.693 1.00 0.00 N ATOM 49 CA ASP A 129 -8.915 8.009 -2.843 1.00 0.00 C ATOM 50 C ASP A 129 -8.475 6.564 -2.635 1.00 0.00 C ATOM 51 O ASP A 129 -9.292 5.644 -2.678 1.00 0.00 O ATOM 52 CB ASP A 129 -9.197 8.669 -1.491 1.00 0.00 C ATOM 53 CG ASP A 129 -7.941 8.844 -0.660 1.00 0.00 C ATOM 54 OD1 ASP A 129 -6.879 9.142 -1.245 1.00 0.00 O ATOM 55 OD2 ASP A 129 -8.020 8.683 0.576 1.00 0.00 O ATOM 0 H ASP A 129 -10.856 7.449 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 129 -8.109 8.549 -3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -9.660 9.642 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.915 8.064 -0.937 1.00 0.00 H new ATOM 60 N ALA A 130 -7.179 6.369 -2.409 1.00 0.00 N ATOM 61 CA ALA A 130 -6.637 5.033 -2.197 1.00 0.00 C ATOM 62 C ALA A 130 -5.337 5.082 -1.404 1.00 0.00 C ATOM 63 O ALA A 130 -5.259 4.579 -0.283 1.00 0.00 O ATOM 64 CB ALA A 130 -6.416 4.336 -3.531 1.00 0.00 C ATOM 0 H ALA A 130 -6.487 7.118 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.363 4.464 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.011 3.339 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.365 4.255 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.713 4.914 -4.131 1.00 0.00 H new ATOM 70 N LEU A 131 -4.321 5.689 -1.998 1.00 0.00 N ATOM 71 CA LEU A 131 -3.016 5.806 -1.359 1.00 0.00 C ATOM 72 C LEU A 131 -3.047 6.836 -0.235 1.00 0.00 C ATOM 73 O LEU A 131 -3.394 7.996 -0.455 1.00 0.00 O ATOM 74 CB LEU A 131 -1.956 6.196 -2.390 1.00 0.00 C ATOM 75 CG LEU A 131 -1.368 5.033 -3.190 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.520 4.146 -2.293 1.00 0.00 C ATOM 77 CD2 LEU A 131 -2.476 4.226 -3.849 1.00 0.00 C ATOM 0 H LEU A 131 -4.374 6.110 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.762 4.836 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.395 6.910 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.144 6.710 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.729 5.440 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.109 3.323 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.295 4.732 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.137 3.746 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -2.040 3.402 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -3.141 3.828 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.042 4.869 -4.523 1.00 0.00 H new ATOM 89 N SER A 132 -2.676 6.408 0.968 1.00 0.00 N ATOM 90 CA SER A 132 -2.658 7.301 2.120 1.00 0.00 C ATOM 91 C SER A 132 -1.326 8.043 2.203 1.00 0.00 C ATOM 92 O SER A 132 -0.339 7.630 1.595 1.00 0.00 O ATOM 93 CB SER A 132 -2.904 6.516 3.411 1.00 0.00 C ATOM 94 OG SER A 132 -3.408 5.221 3.133 1.00 0.00 O ATOM 0 H SER A 132 -2.385 5.451 1.169 1.00 0.00 H new ATOM 0 HA SER A 132 -3.457 8.032 1.997 1.00 0.00 H new ATOM 0 HB2 SER A 132 -1.974 6.434 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 132 -3.611 7.057 4.040 1.00 0.00 H new ATOM 0 HG SER A 132 -3.555 4.740 3.974 1.00 0.00 H new ATOM 100 N PRO A 133 -1.276 9.150 2.963 1.00 0.00 N ATOM 101 CA PRO A 133 -0.052 9.942 3.121 1.00 0.00 C ATOM 102 C PRO A 133 1.099 9.104 3.663 1.00 0.00 C ATOM 103 O PRO A 133 2.185 9.076 3.084 1.00 0.00 O ATOM 104 CB PRO A 133 -0.444 11.036 4.125 1.00 0.00 C ATOM 105 CG PRO A 133 -1.704 10.553 4.763 1.00 0.00 C ATOM 106 CD PRO A 133 -2.398 9.714 3.730 1.00 0.00 C ATOM 0 HA PRO A 133 0.301 10.341 2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.340 11.187 4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.598 11.992 3.625 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.489 9.970 5.658 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.331 11.390 5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.009 8.935 4.185 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.059 10.311 3.101 1.00 0.00 H new ATOM 114 N ALA A 134 0.852 8.415 4.771 1.00 0.00 N ATOM 115 CA ALA A 134 1.866 7.568 5.382 1.00 0.00 C ATOM 116 C ALA A 134 2.275 6.449 4.430 1.00 0.00 C ATOM 117 O ALA A 134 3.451 6.087 4.343 1.00 0.00 O ATOM 118 CB ALA A 134 1.354 6.992 6.694 1.00 0.00 C ATOM 0 H ALA A 134 -0.041 8.427 5.263 1.00 0.00 H new ATOM 0 HA ALA A 134 2.745 8.178 5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.123 6.361 7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.111 7.805 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.460 6.397 6.506 1.00 0.00 H new ATOM 124 N ILE A 135 1.296 5.908 3.710 1.00 0.00 N ATOM 125 CA ILE A 135 1.564 4.837 2.763 1.00 0.00 C ATOM 126 C ILE A 135 2.539 5.293 1.692 1.00 0.00 C ATOM 127 O ILE A 135 3.503 4.601 1.397 1.00 0.00 O ATOM 128 CB ILE A 135 0.287 4.334 2.065 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.785 3.966 3.095 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.624 3.142 1.174 1.00 0.00 C ATOM 131 CD1 ILE A 135 -0.486 2.698 3.863 1.00 0.00 C ATOM 0 H ILE A 135 0.318 6.193 3.765 1.00 0.00 H new ATOM 0 HA ILE A 135 1.991 4.021 3.346 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.116 5.133 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.895 4.789 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.742 3.853 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.282 2.788 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.352 3.445 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.043 2.340 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.290 2.504 4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -0.406 1.862 3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 135 0.454 2.813 4.403 1.00 0.00 H new ATOM 143 N ARG A 136 2.285 6.459 1.106 1.00 0.00 N ATOM 144 CA ARG A 136 3.157 6.981 0.064 1.00 0.00 C ATOM 145 C ARG A 136 4.609 6.932 0.522 1.00 0.00 C ATOM 146 O ARG A 136 5.517 6.695 -0.274 1.00 0.00 O ATOM 147 CB ARG A 136 2.729 8.403 -0.324 1.00 0.00 C ATOM 148 CG ARG A 136 3.626 9.495 0.226 1.00 0.00 C ATOM 149 CD ARG A 136 3.298 10.843 -0.392 1.00 0.00 C ATOM 150 NE ARG A 136 1.985 11.332 0.022 1.00 0.00 N ATOM 151 CZ ARG A 136 1.303 12.270 -0.630 1.00 0.00 C ATOM 152 NH1 ARG A 136 1.806 12.825 -1.726 1.00 0.00 N ATOM 153 NH2 ARG A 136 0.114 12.655 -0.186 1.00 0.00 N ATOM 0 H ARG A 136 1.489 7.055 1.334 1.00 0.00 H new ATOM 0 HA ARG A 136 3.069 6.357 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.707 8.480 -1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.711 8.573 0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.512 9.551 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.669 9.246 0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 136 4.061 11.567 -0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 136 3.328 10.760 -1.478 1.00 0.00 H new ATOM 0 HE ARG A 136 1.566 10.930 0.861 1.00 0.00 H new ATOM 0 HH11 ARG A 136 2.720 12.533 -2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 136 1.279 13.544 -2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.278 12.232 0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.409 13.374 -0.686 1.00 0.00 H new ATOM 167 N ARG A 137 4.812 7.122 1.818 1.00 0.00 N ATOM 168 CA ARG A 137 6.145 7.062 2.388 1.00 0.00 C ATOM 169 C ARG A 137 6.604 5.616 2.424 1.00 0.00 C ATOM 170 O ARG A 137 7.759 5.305 2.130 1.00 0.00 O ATOM 171 CB ARG A 137 6.153 7.651 3.798 1.00 0.00 C ATOM 172 CG ARG A 137 5.623 9.075 3.867 1.00 0.00 C ATOM 173 CD ARG A 137 6.666 10.036 4.416 1.00 0.00 C ATOM 174 NE ARG A 137 6.353 11.427 4.095 1.00 0.00 N ATOM 175 CZ ARG A 137 5.417 12.138 4.718 1.00 0.00 C ATOM 176 NH1 ARG A 137 4.700 11.596 5.695 1.00 0.00 N ATOM 177 NH2 ARG A 137 5.196 13.397 4.363 1.00 0.00 N ATOM 0 H ARG A 137 4.071 7.318 2.491 1.00 0.00 H new ATOM 0 HA ARG A 137 6.826 7.648 1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.553 7.017 4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 137 7.172 7.633 4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 137 5.318 9.399 2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.734 9.103 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.732 9.920 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.644 9.781 4.008 1.00 0.00 H new ATOM 0 HE ARG A 137 6.883 11.879 3.350 1.00 0.00 H new ATOM 0 HH11 ARG A 137 4.865 10.628 5.972 1.00 0.00 H new ATOM 0 HH12 ARG A 137 3.984 12.147 6.168 1.00 0.00 H new ATOM 0 HH21 ARG A 137 5.744 13.819 3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 137 4.479 13.943 4.840 1.00 0.00 H new ATOM 191 N LEU A 138 5.678 4.732 2.781 1.00 0.00 N ATOM 192 CA LEU A 138 5.969 3.308 2.849 1.00 0.00 C ATOM 193 C LEU A 138 6.310 2.751 1.468 1.00 0.00 C ATOM 194 O LEU A 138 7.356 2.134 1.278 1.00 0.00 O ATOM 195 CB LEU A 138 4.775 2.548 3.431 1.00 0.00 C ATOM 196 CG LEU A 138 5.010 1.051 3.608 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.115 0.805 4.622 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.735 0.345 4.036 1.00 0.00 C ATOM 0 H LEU A 138 4.720 4.979 3.028 1.00 0.00 H new ATOM 0 HA LEU A 138 6.833 3.174 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.520 2.981 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.913 2.694 2.779 1.00 0.00 H new ATOM 0 HG LEU A 138 5.318 0.641 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.271 -0.268 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.037 1.270 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.830 1.235 5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.931 -0.721 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.391 0.758 4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 138 2.966 0.490 3.277 1.00 0.00 H new ATOM 210 N LEU A 139 5.431 2.984 0.499 1.00 0.00 N ATOM 211 CA LEU A 139 5.652 2.514 -0.862 1.00 0.00 C ATOM 212 C LEU A 139 6.916 3.139 -1.422 1.00 0.00 C ATOM 213 O LEU A 139 7.671 2.504 -2.159 1.00 0.00 O ATOM 214 CB LEU A 139 4.457 2.868 -1.748 1.00 0.00 C ATOM 215 CG LEU A 139 3.226 1.978 -1.566 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.027 2.577 -2.283 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.502 0.572 -2.073 1.00 0.00 C ATOM 0 H LEU A 139 4.559 3.496 0.632 1.00 0.00 H new ATOM 0 HA LEU A 139 5.764 1.430 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.171 3.901 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.771 2.818 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 139 2.999 1.920 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.160 1.931 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.814 3.564 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.246 2.665 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.614 -0.045 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.756 0.611 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.334 0.141 -1.516 1.00 0.00 H new ATOM 229 N ALA A 140 7.137 4.391 -1.052 1.00 0.00 N ATOM 230 CA ALA A 140 8.313 5.126 -1.496 1.00 0.00 C ATOM 231 C ALA A 140 9.580 4.559 -0.863 1.00 0.00 C ATOM 232 O ALA A 140 10.659 4.622 -1.451 1.00 0.00 O ATOM 233 CB ALA A 140 8.167 6.603 -1.162 1.00 0.00 C ATOM 0 H ALA A 140 6.515 4.922 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 140 8.397 5.017 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.053 7.142 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.286 7.004 -1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.058 6.723 -0.084 1.00 0.00 H new ATOM 239 N GLU A 141 9.443 4.003 0.340 1.00 0.00 N ATOM 240 CA GLU A 141 10.565 3.427 1.047 1.00 0.00 C ATOM 241 C GLU A 141 10.892 2.048 0.483 1.00 0.00 C ATOM 242 O GLU A 141 12.045 1.739 0.180 1.00 0.00 O ATOM 243 CB GLU A 141 10.227 3.344 2.540 1.00 0.00 C ATOM 244 CG GLU A 141 10.353 1.956 3.118 1.00 0.00 C ATOM 245 CD GLU A 141 10.090 1.911 4.610 1.00 0.00 C ATOM 246 OE1 GLU A 141 10.706 2.710 5.347 1.00 0.00 O ATOM 247 OE2 GLU A 141 9.268 1.077 5.044 1.00 0.00 O ATOM 0 H GLU A 141 8.556 3.944 0.841 1.00 0.00 H new ATOM 0 HA GLU A 141 11.445 4.057 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 141 10.885 4.017 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 141 9.208 3.700 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.653 1.292 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 141 11.355 1.575 2.919 1.00 0.00 H new ATOM 254 N HIS A 142 9.857 1.228 0.350 1.00 0.00 N ATOM 255 CA HIS A 142 10.002 -0.123 -0.171 1.00 0.00 C ATOM 256 C HIS A 142 10.163 -0.108 -1.690 1.00 0.00 C ATOM 257 O HIS A 142 10.661 -1.066 -2.280 1.00 0.00 O ATOM 258 CB HIS A 142 8.784 -0.970 0.211 1.00 0.00 C ATOM 259 CG HIS A 142 8.625 -1.175 1.689 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.162 -0.349 2.659 1.00 0.00 N flip ATOM 261 CD2 HIS A 142 8.946 -2.355 2.321 1.00 0.00 C flip ATOM 262 CE1 HIS A 142 8.210 -1.040 3.844 1.00 0.00 C flip ATOM 263 NE2 HIS A 142 8.683 -2.247 3.612 1.00 0.00 N flip ATOM 0 H HIS A 142 8.900 1.479 0.599 1.00 0.00 H new ATOM 0 HA HIS A 142 10.898 -0.561 0.268 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.885 -0.492 -0.178 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.864 -1.943 -0.274 1.00 0.00 H new ATOM 0 HD1 HIS A 142 7.838 0.610 2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 142 9.350 -3.232 1.838 1.00 0.00 H new ATOM 0 HE1 HIS A 142 7.909 -0.657 4.808 1.00 0.00 H new ATOM 272 N ASN A 143 9.731 0.984 -2.318 1.00 0.00 N ATOM 273 CA ASN A 143 9.822 1.122 -3.768 1.00 0.00 C ATOM 274 C ASN A 143 8.867 0.155 -4.460 1.00 0.00 C ATOM 275 O ASN A 143 9.296 -0.788 -5.128 1.00 0.00 O ATOM 276 CB ASN A 143 11.256 0.877 -4.243 1.00 0.00 C ATOM 277 CG ASN A 143 11.496 1.389 -5.649 1.00 0.00 C ATOM 278 OD1 ASN A 143 10.630 2.033 -6.243 1.00 0.00 O ATOM 279 ND2 ASN A 143 12.674 1.105 -6.190 1.00 0.00 N ATOM 0 H ASN A 143 9.315 1.786 -1.844 1.00 0.00 H new ATOM 0 HA ASN A 143 9.537 2.141 -4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.950 1.364 -3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.470 -0.191 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 143 12.892 1.423 -7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.362 0.569 -5.661 1.00 0.00 H new ATOM 286 N LEU A 144 7.570 0.389 -4.289 1.00 0.00 N ATOM 287 CA LEU A 144 6.554 -0.467 -4.893 1.00 0.00 C ATOM 288 C LEU A 144 5.486 0.356 -5.601 1.00 0.00 C ATOM 289 O LEU A 144 5.527 1.586 -5.600 1.00 0.00 O ATOM 290 CB LEU A 144 5.902 -1.346 -3.826 1.00 0.00 C ATOM 291 CG LEU A 144 6.867 -1.939 -2.802 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.105 -2.491 -1.609 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.717 -3.025 -3.443 1.00 0.00 C ATOM 0 H LEU A 144 7.198 1.163 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 144 7.047 -1.098 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.153 -0.756 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.374 -2.161 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 144 7.527 -1.147 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.809 -2.910 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.538 -1.689 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.421 -3.271 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.400 -3.438 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.071 -3.817 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.291 -2.600 -4.267 1.00 0.00 H new ATOM 305 N ASP A 145 4.525 -0.339 -6.200 1.00 0.00 N ATOM 306 CA ASP A 145 3.432 0.313 -6.911 1.00 0.00 C ATOM 307 C ASP A 145 2.088 -0.144 -6.355 1.00 0.00 C ATOM 308 O ASP A 145 1.783 -1.336 -6.346 1.00 0.00 O ATOM 309 CB ASP A 145 3.512 0.007 -8.408 1.00 0.00 C ATOM 310 CG ASP A 145 2.518 0.816 -9.218 1.00 0.00 C ATOM 311 OD1 ASP A 145 1.336 0.876 -8.818 1.00 0.00 O ATOM 312 OD2 ASP A 145 2.921 1.390 -10.251 1.00 0.00 O ATOM 0 H ASP A 145 4.481 -1.358 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 145 3.522 1.390 -6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.521 0.214 -8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.329 -1.055 -8.569 1.00 0.00 H new ATOM 317 N ALA A 146 1.289 0.811 -5.886 1.00 0.00 N ATOM 318 CA ALA A 146 -0.021 0.506 -5.319 1.00 0.00 C ATOM 319 C ALA A 146 -0.818 -0.433 -6.222 1.00 0.00 C ATOM 320 O ALA A 146 -1.384 -1.422 -5.758 1.00 0.00 O ATOM 321 CB ALA A 146 -0.798 1.791 -5.072 1.00 0.00 C ATOM 0 H ALA A 146 1.526 1.803 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 146 0.136 -0.004 -4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.773 1.551 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -0.246 2.422 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.932 2.322 -6.014 1.00 0.00 H new ATOM 327 N SER A 147 -0.857 -0.115 -7.511 1.00 0.00 N ATOM 328 CA SER A 147 -1.584 -0.929 -8.477 1.00 0.00 C ATOM 329 C SER A 147 -1.049 -2.359 -8.514 1.00 0.00 C ATOM 330 O SER A 147 -1.726 -3.270 -8.990 1.00 0.00 O ATOM 331 CB SER A 147 -1.495 -0.304 -9.871 1.00 0.00 C ATOM 332 OG SER A 147 -2.571 0.589 -10.099 1.00 0.00 O ATOM 0 H SER A 147 -0.394 0.701 -7.911 1.00 0.00 H new ATOM 0 HA SER A 147 -2.627 -0.964 -8.164 1.00 0.00 H new ATOM 0 HB2 SER A 147 -0.549 0.227 -9.975 1.00 0.00 H new ATOM 0 HB3 SER A 147 -1.504 -1.090 -10.626 1.00 0.00 H new ATOM 0 HG SER A 147 -2.490 0.976 -10.996 1.00 0.00 H new ATOM 338 N ALA A 148 0.170 -2.553 -8.014 1.00 0.00 N ATOM 339 CA ALA A 148 0.786 -3.874 -7.999 1.00 0.00 C ATOM 340 C ALA A 148 0.565 -4.581 -6.665 1.00 0.00 C ATOM 341 O ALA A 148 0.684 -5.804 -6.576 1.00 0.00 O ATOM 342 CB ALA A 148 2.273 -3.762 -8.297 1.00 0.00 C ATOM 0 H ALA A 148 0.748 -1.813 -7.615 1.00 0.00 H new ATOM 0 HA ALA A 148 0.310 -4.474 -8.775 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.723 -4.755 -8.283 1.00 0.00 H new ATOM 0 HB2 ALA A 148 2.414 -3.313 -9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 148 2.749 -3.137 -7.541 1.00 0.00 H new ATOM 348 N ILE A 149 0.247 -3.812 -5.627 1.00 0.00 N ATOM 349 CA ILE A 149 0.017 -4.377 -4.301 1.00 0.00 C ATOM 350 C ILE A 149 -1.445 -4.230 -3.887 1.00 0.00 C ATOM 351 O ILE A 149 -2.199 -3.469 -4.494 1.00 0.00 O ATOM 352 CB ILE A 149 0.922 -3.714 -3.240 1.00 0.00 C ATOM 353 CG1 ILE A 149 2.304 -3.418 -3.832 1.00 0.00 C ATOM 354 CG2 ILE A 149 1.042 -4.609 -2.013 1.00 0.00 C ATOM 355 CD1 ILE A 149 3.302 -2.889 -2.824 1.00 0.00 C ATOM 0 H ILE A 149 0.143 -2.799 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 149 0.265 -5.437 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 149 0.470 -2.771 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.701 -4.330 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.196 -2.691 -4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 149 1.683 -4.129 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 149 0.053 -4.773 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 149 1.476 -5.566 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 149 4.255 -2.704 -3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.929 -1.959 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.442 -3.623 -2.030 1.00 0.00 H new ATOM 367 N LYS A 150 -1.841 -4.969 -2.853 1.00 0.00 N ATOM 368 CA LYS A 150 -3.215 -4.931 -2.358 1.00 0.00 C ATOM 369 C LYS A 150 -3.691 -3.496 -2.145 1.00 0.00 C ATOM 370 O LYS A 150 -2.924 -2.549 -2.298 1.00 0.00 O ATOM 371 CB LYS A 150 -3.327 -5.720 -1.050 1.00 0.00 C ATOM 372 CG LYS A 150 -4.337 -6.855 -1.110 1.00 0.00 C ATOM 373 CD LYS A 150 -3.724 -8.119 -1.690 1.00 0.00 C ATOM 374 CE LYS A 150 -4.660 -8.788 -2.683 1.00 0.00 C ATOM 375 NZ LYS A 150 -4.535 -10.273 -2.650 1.00 0.00 N ATOM 0 H LYS A 150 -1.228 -5.603 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 150 -3.855 -5.390 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.349 -6.128 -0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -3.606 -5.038 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -4.715 -7.060 -0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -5.190 -6.552 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.783 -7.875 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.490 -8.814 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.689 -8.505 -2.460 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -4.441 -8.427 -3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.189 -10.692 -3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.560 -10.545 -2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.769 -10.620 -1.698 1.00 0.00 H new ATOM 389 N GLY A 151 -4.964 -3.351 -1.792 1.00 0.00 N ATOM 390 CA GLY A 151 -5.530 -2.036 -1.565 1.00 0.00 C ATOM 391 C GLY A 151 -7.034 -2.084 -1.378 1.00 0.00 C ATOM 392 O GLY A 151 -7.790 -1.793 -2.304 1.00 0.00 O ATOM 0 H GLY A 151 -5.615 -4.125 -1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.070 -1.592 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.291 -1.389 -2.409 1.00 0.00 H new ATOM 396 N THR A 152 -7.470 -2.458 -0.178 1.00 0.00 N ATOM 397 CA THR A 152 -8.895 -2.548 0.120 1.00 0.00 C ATOM 398 C THR A 152 -9.240 -1.800 1.406 1.00 0.00 C ATOM 399 O THR A 152 -10.019 -2.285 2.226 1.00 0.00 O ATOM 400 CB THR A 152 -9.319 -4.012 0.238 1.00 0.00 C ATOM 401 OG1 THR A 152 -10.697 -4.111 0.553 1.00 0.00 O ATOM 402 CG2 THR A 152 -8.551 -4.774 1.295 1.00 0.00 C ATOM 0 H THR A 152 -6.859 -2.703 0.601 1.00 0.00 H new ATOM 0 HA THR A 152 -9.439 -2.081 -0.701 1.00 0.00 H new ATOM 0 HB THR A 152 -9.103 -4.454 -0.734 1.00 0.00 H new ATOM 0 HG1 THR A 152 -10.877 -3.629 1.387 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.901 -5.806 1.326 1.00 0.00 H new ATOM 0 HG22 THR A 152 -7.488 -4.759 1.054 1.00 0.00 H new ATOM 0 HG23 THR A 152 -8.709 -4.307 2.267 1.00 0.00 H new ATOM 410 N GLY A 153 -8.661 -0.615 1.571 1.00 0.00 N ATOM 411 CA GLY A 153 -8.926 0.184 2.756 1.00 0.00 C ATOM 412 C GLY A 153 -10.408 0.365 3.011 1.00 0.00 C ATOM 413 O GLY A 153 -10.915 0.009 4.075 1.00 0.00 O ATOM 0 H GLY A 153 -8.013 -0.193 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.467 -0.292 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.457 1.162 2.644 1.00 0.00 H new ATOM 417 N VAL A 154 -11.100 0.918 2.024 1.00 0.00 N ATOM 418 CA VAL A 154 -12.534 1.150 2.122 1.00 0.00 C ATOM 419 C VAL A 154 -13.202 0.955 0.766 1.00 0.00 C ATOM 420 O VAL A 154 -14.157 1.651 0.423 1.00 0.00 O ATOM 421 CB VAL A 154 -12.843 2.570 2.635 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.326 2.716 2.945 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.001 2.890 3.860 1.00 0.00 C ATOM 0 H VAL A 154 -10.687 1.216 1.140 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.929 0.426 2.835 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.588 3.283 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.525 3.725 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.906 2.533 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -14.610 1.994 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.233 3.897 4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.222 2.173 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.944 2.830 3.601 1.00 0.00 H new ATOM 433 N GLY A 155 -12.686 -0.001 -0.001 1.00 0.00 N ATOM 434 CA GLY A 155 -13.236 -0.278 -1.315 1.00 0.00 C ATOM 435 C GLY A 155 -12.226 -0.069 -2.430 1.00 0.00 C ATOM 436 O GLY A 155 -12.590 -0.052 -3.606 1.00 0.00 O ATOM 0 H GLY A 155 -11.896 -0.589 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -13.595 -1.307 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.098 0.366 -1.486 1.00 0.00 H new ATOM 440 N GLY A 156 -10.955 0.090 -2.065 1.00 0.00 N ATOM 441 CA GLY A 156 -9.920 0.292 -3.062 1.00 0.00 C ATOM 442 C GLY A 156 -8.856 1.277 -2.614 1.00 0.00 C ATOM 443 O GLY A 156 -8.521 2.212 -3.343 1.00 0.00 O ATOM 0 H GLY A 156 -10.626 0.082 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.450 -0.665 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.376 0.651 -3.985 1.00 0.00 H new ATOM 447 N ARG A 157 -8.321 1.071 -1.413 1.00 0.00 N ATOM 448 CA ARG A 157 -7.287 1.954 -0.877 1.00 0.00 C ATOM 449 C ARG A 157 -6.107 1.152 -0.336 1.00 0.00 C ATOM 450 O ARG A 157 -6.276 0.046 0.176 1.00 0.00 O ATOM 451 CB ARG A 157 -7.850 2.846 0.234 1.00 0.00 C ATOM 452 CG ARG A 157 -9.291 3.285 0.014 1.00 0.00 C ATOM 453 CD ARG A 157 -9.428 4.801 0.035 1.00 0.00 C ATOM 454 NE ARG A 157 -9.834 5.297 1.349 1.00 0.00 N ATOM 455 CZ ARG A 157 -8.985 5.757 2.269 1.00 0.00 C ATOM 456 NH1 ARG A 157 -7.680 5.789 2.031 1.00 0.00 N ATOM 457 NH2 ARG A 157 -9.448 6.189 3.436 1.00 0.00 N ATOM 0 H ARG A 157 -8.585 0.304 -0.794 1.00 0.00 H new ATOM 0 HA ARG A 157 -6.940 2.583 -1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.786 2.311 1.181 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.222 3.732 0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.646 2.901 -0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -9.925 2.852 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.477 5.255 -0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.161 5.109 -0.711 1.00 0.00 H new ATOM 0 HE ARG A 157 -10.828 5.291 1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -7.316 5.460 1.137 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -7.040 6.143 2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.450 6.168 3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.802 6.541 4.142 1.00 0.00 H new ATOM 471 N LEU A 158 -4.912 1.725 -0.448 1.00 0.00 N ATOM 472 CA LEU A 158 -3.695 1.078 0.033 1.00 0.00 C ATOM 473 C LEU A 158 -3.563 1.231 1.546 1.00 0.00 C ATOM 474 O LEU A 158 -3.757 2.322 2.085 1.00 0.00 O ATOM 475 CB LEU A 158 -2.472 1.685 -0.659 1.00 0.00 C ATOM 476 CG LEU A 158 -1.285 0.737 -0.858 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.981 -0.025 0.421 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.561 -0.228 -1.998 1.00 0.00 C ATOM 0 H LEU A 158 -4.760 2.641 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.754 0.016 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.779 2.063 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.135 2.542 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.411 1.336 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.135 -0.692 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.737 0.680 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.853 -0.611 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.708 -0.894 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.450 -0.816 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -1.724 0.333 -2.918 1.00 0.00 H new ATOM 490 N THR A 159 -3.230 0.140 2.231 1.00 0.00 N ATOM 491 CA THR A 159 -3.074 0.172 3.681 1.00 0.00 C ATOM 492 C THR A 159 -1.829 -0.595 4.120 1.00 0.00 C ATOM 493 O THR A 159 -1.296 -1.421 3.374 1.00 0.00 O ATOM 494 CB THR A 159 -4.313 -0.411 4.365 1.00 0.00 C ATOM 495 OG1 THR A 159 -4.958 -1.350 3.522 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.334 0.638 4.749 1.00 0.00 C ATOM 0 H THR A 159 -3.064 -0.773 1.807 1.00 0.00 H new ATOM 0 HA THR A 159 -2.958 1.214 3.980 1.00 0.00 H new ATOM 0 HB THR A 159 -3.943 -0.886 5.274 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.827 -1.093 2.585 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.187 0.157 5.229 1.00 0.00 H new ATOM 0 HG22 THR A 159 -4.882 1.350 5.440 1.00 0.00 H new ATOM 0 HG23 THR A 159 -5.670 1.163 3.855 1.00 0.00 H new ATOM 504 N ARG A 160 -1.375 -0.323 5.342 1.00 0.00 N ATOM 505 CA ARG A 160 -0.196 -0.987 5.886 1.00 0.00 C ATOM 506 C ARG A 160 -0.372 -2.499 5.845 1.00 0.00 C ATOM 507 O ARG A 160 0.580 -3.239 5.597 1.00 0.00 O ATOM 508 CB ARG A 160 0.059 -0.530 7.324 1.00 0.00 C ATOM 509 CG ARG A 160 1.484 -0.773 7.796 1.00 0.00 C ATOM 510 CD ARG A 160 2.192 0.528 8.151 1.00 0.00 C ATOM 511 NE ARG A 160 2.508 0.606 9.575 1.00 0.00 N ATOM 512 CZ ARG A 160 3.061 1.670 10.155 1.00 0.00 C ATOM 513 NH1 ARG A 160 3.360 2.747 9.437 1.00 0.00 N ATOM 514 NH2 ARG A 160 3.315 1.658 11.456 1.00 0.00 N ATOM 0 H ARG A 160 -1.807 0.353 5.973 1.00 0.00 H new ATOM 0 HA ARG A 160 0.664 -0.716 5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.165 0.534 7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.629 -1.051 7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.472 -1.429 8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 160 2.042 -1.289 7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 160 3.111 0.611 7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.561 1.372 7.872 1.00 0.00 H new ATOM 0 HE ARG A 160 2.293 -0.202 10.160 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.166 2.762 8.436 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.783 3.559 9.887 1.00 0.00 H new ATOM 0 HH21 ARG A 160 3.087 0.834 12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.738 2.473 11.900 1.00 0.00 H new ATOM 528 N GLU A 161 -1.602 -2.948 6.068 1.00 0.00 N ATOM 529 CA GLU A 161 -1.910 -4.369 6.035 1.00 0.00 C ATOM 530 C GLU A 161 -1.647 -4.925 4.642 1.00 0.00 C ATOM 531 O GLU A 161 -1.176 -6.051 4.485 1.00 0.00 O ATOM 532 CB GLU A 161 -3.368 -4.611 6.432 1.00 0.00 C ATOM 533 CG GLU A 161 -3.772 -3.906 7.718 1.00 0.00 C ATOM 534 CD GLU A 161 -5.173 -4.273 8.167 1.00 0.00 C ATOM 535 OE1 GLU A 161 -6.142 -3.751 7.576 1.00 0.00 O ATOM 536 OE2 GLU A 161 -5.301 -5.081 9.110 1.00 0.00 O ATOM 0 H GLU A 161 -2.400 -2.347 6.273 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.267 -4.882 6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.017 -4.275 5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.532 -5.682 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.063 -4.161 8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.712 -2.828 7.571 1.00 0.00 H new ATOM 543 N ASP A 162 -1.950 -4.116 3.631 1.00 0.00 N ATOM 544 CA ASP A 162 -1.742 -4.512 2.245 1.00 0.00 C ATOM 545 C ASP A 162 -0.254 -4.685 1.957 1.00 0.00 C ATOM 546 O ASP A 162 0.180 -5.735 1.481 1.00 0.00 O ATOM 547 CB ASP A 162 -2.339 -3.465 1.306 1.00 0.00 C ATOM 548 CG ASP A 162 -3.837 -3.311 1.491 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.501 -4.314 1.826 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.345 -2.186 1.302 1.00 0.00 O ATOM 0 H ASP A 162 -2.341 -3.181 3.748 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.242 -5.466 2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.853 -2.505 1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.130 -3.745 0.274 1.00 0.00 H new ATOM 555 N VAL A 163 0.525 -3.649 2.256 1.00 0.00 N ATOM 556 CA VAL A 163 1.966 -3.692 2.034 1.00 0.00 C ATOM 557 C VAL A 163 2.602 -4.822 2.839 1.00 0.00 C ATOM 558 O VAL A 163 3.604 -5.402 2.423 1.00 0.00 O ATOM 559 CB VAL A 163 2.644 -2.358 2.405 1.00 0.00 C ATOM 560 CG1 VAL A 163 4.133 -2.405 2.093 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.983 -1.201 1.672 1.00 0.00 C ATOM 0 H VAL A 163 0.184 -2.773 2.651 1.00 0.00 H new ATOM 0 HA VAL A 163 2.118 -3.871 0.970 1.00 0.00 H new ATOM 0 HB VAL A 163 2.524 -2.202 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.591 -1.454 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.599 -3.207 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.276 -2.588 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.475 -0.268 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 163 2.070 -1.354 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.930 -1.150 1.947 1.00 0.00 H new ATOM 571 N GLU A 164 2.010 -5.134 3.989 1.00 0.00 N ATOM 572 CA GLU A 164 2.519 -6.201 4.840 1.00 0.00 C ATOM 573 C GLU A 164 2.344 -7.551 4.151 1.00 0.00 C ATOM 574 O GLU A 164 3.266 -8.365 4.112 1.00 0.00 O ATOM 575 CB GLU A 164 1.808 -6.176 6.201 1.00 0.00 C ATOM 576 CG GLU A 164 0.878 -7.354 6.442 1.00 0.00 C ATOM 577 CD GLU A 164 0.182 -7.285 7.786 1.00 0.00 C ATOM 578 OE1 GLU A 164 0.869 -7.431 8.819 1.00 0.00 O ATOM 579 OE2 GLU A 164 -1.051 -7.084 7.808 1.00 0.00 O ATOM 0 H GLU A 164 1.180 -4.664 4.350 1.00 0.00 H new ATOM 0 HA GLU A 164 3.584 -6.045 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 164 2.560 -6.154 6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.234 -5.253 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 164 0.129 -7.388 5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.449 -8.281 6.380 1.00 0.00 H new ATOM 586 N LYS A 165 1.154 -7.772 3.601 1.00 0.00 N ATOM 587 CA LYS A 165 0.857 -9.015 2.901 1.00 0.00 C ATOM 588 C LYS A 165 1.824 -9.212 1.740 1.00 0.00 C ATOM 589 O LYS A 165 2.374 -10.298 1.552 1.00 0.00 O ATOM 590 CB LYS A 165 -0.585 -9.007 2.387 1.00 0.00 C ATOM 591 CG LYS A 165 -1.625 -8.974 3.495 1.00 0.00 C ATOM 592 CD LYS A 165 -2.800 -8.078 3.134 1.00 0.00 C ATOM 593 CE LYS A 165 -4.005 -8.889 2.689 1.00 0.00 C ATOM 594 NZ LYS A 165 -5.260 -8.088 2.729 1.00 0.00 N ATOM 0 H LYS A 165 0.381 -7.107 3.627 1.00 0.00 H new ATOM 0 HA LYS A 165 0.974 -9.842 3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.727 -8.141 1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.748 -9.893 1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.984 -9.985 3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -1.165 -8.618 4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -3.070 -7.466 3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.506 -7.395 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -3.841 -9.256 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -4.112 -9.763 3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -6.058 -8.678 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -5.431 -7.758 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -5.169 -7.268 2.096 1.00 0.00 H new ATOM 608 N TRP A 166 2.038 -8.148 0.971 1.00 0.00 N ATOM 609 CA TRP A 166 2.951 -8.197 -0.163 1.00 0.00 C ATOM 610 C TRP A 166 4.385 -8.365 0.323 1.00 0.00 C ATOM 611 O TRP A 166 5.151 -9.158 -0.224 1.00 0.00 O ATOM 612 CB TRP A 166 2.824 -6.917 -0.996 1.00 0.00 C ATOM 613 CG TRP A 166 3.806 -6.834 -2.128 1.00 0.00 C ATOM 614 CD1 TRP A 166 3.563 -7.088 -3.447 1.00 0.00 C ATOM 615 CD2 TRP A 166 5.187 -6.469 -2.038 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.712 -6.908 -4.181 1.00 0.00 N ATOM 617 CE2 TRP A 166 5.722 -6.531 -3.338 1.00 0.00 C ATOM 618 CE3 TRP A 166 6.024 -6.098 -0.984 1.00 0.00 C ATOM 619 CZ2 TRP A 166 7.055 -6.237 -3.611 1.00 0.00 C ATOM 620 CZ3 TRP A 166 7.348 -5.806 -1.256 1.00 0.00 C ATOM 621 CH2 TRP A 166 7.852 -5.877 -2.560 1.00 0.00 C ATOM 0 H TRP A 166 1.591 -7.242 1.114 1.00 0.00 H new ATOM 0 HA TRP A 166 2.690 -9.052 -0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.813 -6.855 -1.398 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.961 -6.054 -0.344 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.608 -7.387 -3.854 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.797 -7.035 -5.189 1.00 0.00 H new ATOM 0 HE3 TRP A 166 5.644 -6.040 0.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 7.445 -6.291 -4.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.005 -5.518 -0.448 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.891 -5.643 -2.739 1.00 0.00 H new ATOM 632 N LEU A 167 4.737 -7.611 1.358 1.00 0.00 N ATOM 633 CA LEU A 167 6.076 -7.667 1.930 1.00 0.00 C ATOM 634 C LEU A 167 6.377 -9.058 2.475 1.00 0.00 C ATOM 635 O LEU A 167 7.515 -9.524 2.425 1.00 0.00 O ATOM 636 CB LEU A 167 6.219 -6.627 3.043 1.00 0.00 C ATOM 637 CG LEU A 167 6.596 -5.225 2.567 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.452 -4.214 3.696 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.014 -5.216 2.020 1.00 0.00 C ATOM 0 H LEU A 167 4.111 -6.951 1.819 1.00 0.00 H new ATOM 0 HA LEU A 167 6.793 -7.445 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.278 -6.569 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 167 6.976 -6.972 3.748 1.00 0.00 H new ATOM 0 HG LEU A 167 5.913 -4.939 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.726 -3.223 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.419 -4.201 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.108 -4.493 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.268 -4.210 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.708 -5.524 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.084 -5.907 1.180 1.00 0.00 H new ATOM 651 N ALA A 168 5.348 -9.716 2.996 1.00 0.00 N ATOM 652 CA ALA A 168 5.499 -11.056 3.552 1.00 0.00 C ATOM 653 C ALA A 168 5.583 -12.105 2.447 1.00 0.00 C ATOM 654 O ALA A 168 6.178 -13.168 2.633 1.00 0.00 O ATOM 655 CB ALA A 168 4.346 -11.369 4.493 1.00 0.00 C ATOM 0 H ALA A 168 4.400 -9.344 3.045 1.00 0.00 H new ATOM 0 HA ALA A 168 6.432 -11.085 4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.471 -12.372 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.334 -10.645 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.405 -11.315 3.946 1.00 0.00 H new ATOM 661 N LYS A 169 4.985 -11.803 1.299 1.00 0.00 N ATOM 662 CA LYS A 169 4.994 -12.724 0.168 1.00 0.00 C ATOM 663 C LYS A 169 5.243 -11.980 -1.140 1.00 0.00 C ATOM 664 O LYS A 169 4.307 -11.674 -1.879 1.00 0.00 O ATOM 665 CB LYS A 169 3.668 -13.483 0.093 1.00 0.00 C ATOM 666 CG LYS A 169 3.705 -14.678 -0.846 1.00 0.00 C ATOM 667 CD LYS A 169 4.133 -15.946 -0.120 1.00 0.00 C ATOM 668 CE LYS A 169 3.193 -17.104 -0.418 1.00 0.00 C ATOM 669 NZ LYS A 169 3.730 -17.997 -1.481 1.00 0.00 N ATOM 0 H LYS A 169 4.489 -10.929 1.127 1.00 0.00 H new ATOM 0 HA LYS A 169 5.805 -13.436 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 169 3.397 -13.824 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 169 2.885 -12.799 -0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.719 -14.826 -1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 169 4.395 -14.477 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 169 5.147 -16.213 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 169 4.155 -15.761 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 169 3.029 -17.681 0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 169 2.223 -16.714 -0.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 3.060 -18.773 -1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 3.863 -17.453 -2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 4.643 -18.390 -1.176 1.00 0.00 H new ATOM 683 N ALA A 170 6.510 -11.692 -1.421 1.00 0.00 N ATOM 684 CA ALA A 170 6.882 -10.986 -2.641 1.00 0.00 C ATOM 685 C ALA A 170 8.327 -11.281 -3.026 1.00 0.00 C ATOM 686 O ALA A 170 9.231 -10.606 -2.488 1.00 0.00 O ATOM 687 CB ALA A 170 6.674 -9.489 -2.470 1.00 0.00 C ATOM 688 OXT ALA A 170 8.545 -12.183 -3.861 1.00 0.00 O ATOM 0 H ALA A 170 7.297 -11.937 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 170 6.239 -11.340 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 170 6.956 -8.975 -3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 170 5.625 -9.290 -2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 170 7.292 -9.127 -1.648 1.00 0.00 H new TER 694 ALA A 170