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 Set 1.1: A 152 THR OG1 : rot -99:sc= 0.817 USER MOD Set 1.2: A 159 THR OG1 : rot 38:sc= -0.377 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 ASN : amide:sc= -0.0846 X(o=-0.085,f=0) USER MOD Single : A 128 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 132 SER OG : rot -110:sc= -0.325 USER MOD Single : A 142 HIS : no HE2:sc= -5.27! C(o=-5.3!,f=-9.5!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 SER OG : rot -82:sc= 0.215 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -4.431 8.142 -16.163 1.00 0.00 N ATOM 2 CA GLN A 126 -4.762 8.938 -14.951 1.00 0.00 C ATOM 3 C GLN A 126 -5.029 8.034 -13.753 1.00 0.00 C ATOM 4 O GLN A 126 -4.391 8.166 -12.708 1.00 0.00 O ATOM 5 CB GLN A 126 -5.996 9.793 -15.253 1.00 0.00 C ATOM 6 CG GLN A 126 -5.760 10.842 -16.327 1.00 0.00 C ATOM 7 CD GLN A 126 -7.046 11.486 -16.806 1.00 0.00 C ATOM 8 OE1 GLN A 126 -7.416 12.570 -16.357 1.00 0.00 O ATOM 9 NE2 GLN A 126 -7.737 10.817 -17.722 1.00 0.00 N ATOM 0 HA GLN A 126 -3.914 9.575 -14.698 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -6.812 9.141 -15.566 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -6.318 10.289 -14.337 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -5.095 11.613 -15.937 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -5.251 10.381 -17.174 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -7.393 9.921 -18.067 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -8.612 11.199 -18.081 1.00 0.00 H new ATOM 20 N ASN A 127 -5.975 7.114 -13.911 1.00 0.00 N ATOM 21 CA ASN A 127 -6.327 6.187 -12.842 1.00 0.00 C ATOM 22 C ASN A 127 -6.832 6.938 -11.613 1.00 0.00 C ATOM 23 O ASN A 127 -6.713 8.160 -11.529 1.00 0.00 O ATOM 24 CB ASN A 127 -5.118 5.324 -12.470 1.00 0.00 C ATOM 25 CG ASN A 127 -5.413 3.841 -12.571 1.00 0.00 C ATOM 26 OD1 ASN A 127 -5.267 3.099 -11.599 1.00 0.00 O ATOM 27 ND2 ASN A 127 -5.831 3.400 -13.752 1.00 0.00 N ATOM 0 H ASN A 127 -6.512 6.991 -14.770 1.00 0.00 H new ATOM 0 HA ASN A 127 -7.128 5.541 -13.202 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -4.283 5.571 -13.126 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -4.805 5.561 -11.453 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -6.045 2.411 -13.880 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -5.938 4.050 -14.531 1.00 0.00 H new ATOM 34 N ASN A 128 -7.398 6.199 -10.665 1.00 0.00 N ATOM 35 CA ASN A 128 -7.922 6.795 -9.442 1.00 0.00 C ATOM 36 C ASN A 128 -6.864 6.802 -8.342 1.00 0.00 C ATOM 37 O ASN A 128 -5.799 6.201 -8.488 1.00 0.00 O ATOM 38 CB ASN A 128 -9.160 6.032 -8.969 1.00 0.00 C ATOM 39 CG ASN A 128 -10.390 6.359 -9.794 1.00 0.00 C ATOM 40 OD1 ASN A 128 -10.287 6.734 -10.962 1.00 0.00 O ATOM 41 ND2 ASN A 128 -11.563 6.217 -9.189 1.00 0.00 N ATOM 0 H ASN A 128 -7.506 5.186 -10.720 1.00 0.00 H new ATOM 0 HA ASN A 128 -8.200 7.826 -9.660 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -8.965 4.961 -9.021 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -9.353 6.271 -7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -12.425 6.421 -9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -11.602 5.903 -8.219 1.00 0.00 H new ATOM 48 N ASP A 129 -7.165 7.485 -7.243 1.00 0.00 N ATOM 49 CA ASP A 129 -6.240 7.570 -6.119 1.00 0.00 C ATOM 50 C ASP A 129 -6.672 6.642 -4.987 1.00 0.00 C ATOM 51 O ASP A 129 -7.654 6.908 -4.293 1.00 0.00 O ATOM 52 CB ASP A 129 -6.154 9.010 -5.610 1.00 0.00 C ATOM 53 CG ASP A 129 -4.736 9.418 -5.265 1.00 0.00 C ATOM 54 OD1 ASP A 129 -4.212 8.940 -4.238 1.00 0.00 O ATOM 55 OD2 ASP A 129 -4.147 10.218 -6.025 1.00 0.00 O ATOM 0 H ASP A 129 -8.042 7.988 -7.107 1.00 0.00 H new ATOM 0 HA ASP A 129 -5.256 7.256 -6.466 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -6.549 9.685 -6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.785 9.119 -4.728 1.00 0.00 H new ATOM 60 N ALA A 130 -5.933 5.552 -4.808 1.00 0.00 N ATOM 61 CA ALA A 130 -6.239 4.583 -3.763 1.00 0.00 C ATOM 62 C ALA A 130 -5.187 4.610 -2.657 1.00 0.00 C ATOM 63 O ALA A 130 -5.454 4.204 -1.525 1.00 0.00 O ATOM 64 CB ALA A 130 -6.346 3.186 -4.356 1.00 0.00 C ATOM 0 H ALA A 130 -5.117 5.318 -5.374 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.197 4.856 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.575 2.472 -3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.140 3.167 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.400 2.917 -4.826 1.00 0.00 H new ATOM 70 N LEU A 131 -3.993 5.089 -2.989 1.00 0.00 N ATOM 71 CA LEU A 131 -2.903 5.165 -2.024 1.00 0.00 C ATOM 72 C LEU A 131 -3.213 6.183 -0.929 1.00 0.00 C ATOM 73 O LEU A 131 -4.084 7.038 -1.090 1.00 0.00 O ATOM 74 CB LEU A 131 -1.600 5.540 -2.730 1.00 0.00 C ATOM 75 CG LEU A 131 -0.861 4.372 -3.387 1.00 0.00 C ATOM 76 CD1 LEU A 131 0.266 4.882 -4.271 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.323 3.422 -2.328 1.00 0.00 C ATOM 0 H LEU A 131 -3.756 5.431 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.791 4.185 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.820 6.287 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -0.934 6.010 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.566 3.826 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.780 4.037 -4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.145 5.523 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.972 5.452 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.200 2.597 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.368 3.957 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.150 3.030 -1.736 1.00 0.00 H new ATOM 89 N SER A 132 -2.493 6.083 0.184 1.00 0.00 N ATOM 90 CA SER A 132 -2.689 6.994 1.306 1.00 0.00 C ATOM 91 C SER A 132 -1.487 7.923 1.469 1.00 0.00 C ATOM 92 O SER A 132 -0.395 7.629 0.986 1.00 0.00 O ATOM 93 CB SER A 132 -2.916 6.205 2.597 1.00 0.00 C ATOM 94 OG SER A 132 -4.146 5.501 2.556 1.00 0.00 O ATOM 0 H SER A 132 -1.769 5.380 0.333 1.00 0.00 H new ATOM 0 HA SER A 132 -3.570 7.601 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.096 5.502 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.911 6.886 3.448 1.00 0.00 H new ATOM 0 HG SER A 132 -4.777 5.909 3.185 1.00 0.00 H new ATOM 100 N PRO A 133 -1.676 9.064 2.154 1.00 0.00 N ATOM 101 CA PRO A 133 -0.602 10.039 2.376 1.00 0.00 C ATOM 102 C PRO A 133 0.610 9.421 3.067 1.00 0.00 C ATOM 103 O PRO A 133 1.729 9.489 2.558 1.00 0.00 O ATOM 104 CB PRO A 133 -1.250 11.093 3.279 1.00 0.00 C ATOM 105 CG PRO A 133 -2.714 10.951 3.045 1.00 0.00 C ATOM 106 CD PRO A 133 -2.947 9.495 2.762 1.00 0.00 C ATOM 0 HA PRO A 133 -0.222 10.441 1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.999 10.924 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.905 12.096 3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.282 11.275 3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -3.037 11.568 2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.167 8.938 3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.788 9.346 2.085 1.00 0.00 H new ATOM 114 N ALA A 134 0.380 8.820 4.230 1.00 0.00 N ATOM 115 CA ALA A 134 1.450 8.192 4.991 1.00 0.00 C ATOM 116 C ALA A 134 1.976 6.950 4.279 1.00 0.00 C ATOM 117 O ALA A 134 3.188 6.771 4.125 1.00 0.00 O ATOM 118 CB ALA A 134 0.966 7.834 6.388 1.00 0.00 C ATOM 0 H ALA A 134 -0.540 8.756 4.665 1.00 0.00 H new ATOM 0 HA ALA A 134 2.269 8.907 5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.777 7.365 6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.646 8.739 6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.127 7.141 6.316 1.00 0.00 H new ATOM 124 N ILE A 135 1.061 6.092 3.839 1.00 0.00 N ATOM 125 CA ILE A 135 1.448 4.875 3.145 1.00 0.00 C ATOM 126 C ILE A 135 2.305 5.194 1.931 1.00 0.00 C ATOM 127 O ILE A 135 3.322 4.551 1.704 1.00 0.00 O ATOM 128 CB ILE A 135 0.231 4.048 2.693 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.636 3.682 3.900 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.692 2.792 1.958 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.846 2.847 3.546 1.00 0.00 C ATOM 0 H ILE A 135 0.055 6.218 3.951 1.00 0.00 H new ATOM 0 HA ILE A 135 2.020 4.283 3.859 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.369 4.646 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.028 3.137 4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.968 4.598 4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.177 2.215 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.275 3.076 1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.308 2.187 2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.413 2.626 4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.477 3.398 2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.522 1.914 3.084 1.00 0.00 H new ATOM 143 N ARG A 136 1.898 6.192 1.152 1.00 0.00 N ATOM 144 CA ARG A 136 2.657 6.574 -0.032 1.00 0.00 C ATOM 145 C ARG A 136 4.123 6.751 0.328 1.00 0.00 C ATOM 146 O ARG A 136 5.015 6.420 -0.454 1.00 0.00 O ATOM 147 CB ARG A 136 2.097 7.861 -0.642 1.00 0.00 C ATOM 148 CG ARG A 136 1.008 7.621 -1.675 1.00 0.00 C ATOM 149 CD ARG A 136 1.124 8.585 -2.846 1.00 0.00 C ATOM 150 NE ARG A 136 -0.174 9.130 -3.236 1.00 0.00 N ATOM 151 CZ ARG A 136 -0.416 9.694 -4.417 1.00 0.00 C ATOM 152 NH1 ARG A 136 0.548 9.792 -5.325 1.00 0.00 N ATOM 153 NH2 ARG A 136 -1.624 10.165 -4.692 1.00 0.00 N ATOM 0 H ARG A 136 1.057 6.745 1.317 1.00 0.00 H new ATOM 0 HA ARG A 136 2.568 5.781 -0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.698 8.488 0.156 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.911 8.417 -1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.071 6.596 -2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.030 7.733 -1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.795 9.402 -2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.572 8.071 -3.696 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.939 9.075 -2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.481 9.434 -5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.356 10.225 -6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.369 10.095 -3.998 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -1.809 10.597 -5.597 1.00 0.00 H new ATOM 167 N ARG A 137 4.364 7.243 1.538 1.00 0.00 N ATOM 168 CA ARG A 137 5.719 7.425 2.024 1.00 0.00 C ATOM 169 C ARG A 137 6.329 6.061 2.309 1.00 0.00 C ATOM 170 O ARG A 137 7.488 5.800 1.985 1.00 0.00 O ATOM 171 CB ARG A 137 5.726 8.281 3.291 1.00 0.00 C ATOM 172 CG ARG A 137 7.096 8.837 3.643 1.00 0.00 C ATOM 173 CD ARG A 137 7.102 9.464 5.028 1.00 0.00 C ATOM 174 NE ARG A 137 7.338 8.475 6.077 1.00 0.00 N ATOM 175 CZ ARG A 137 8.538 7.987 6.379 1.00 0.00 C ATOM 176 NH1 ARG A 137 9.614 8.396 5.717 1.00 0.00 N ATOM 177 NH2 ARG A 137 8.664 7.089 7.346 1.00 0.00 N ATOM 0 H ARG A 137 3.637 7.522 2.197 1.00 0.00 H new ATOM 0 HA ARG A 137 6.308 7.940 1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.029 9.109 3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.361 7.683 4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.836 8.038 3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 137 7.389 9.582 2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.874 10.232 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 137 6.148 9.960 5.205 1.00 0.00 H new ATOM 0 HE ARG A 137 6.535 8.139 6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 137 9.523 9.088 4.973 1.00 0.00 H new ATOM 0 HH12 ARG A 137 10.532 8.019 5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 137 7.841 6.772 7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 137 9.584 6.715 7.578 1.00 0.00 H new ATOM 191 N LEU A 138 5.524 5.187 2.909 1.00 0.00 N ATOM 192 CA LEU A 138 5.969 3.836 3.230 1.00 0.00 C ATOM 193 C LEU A 138 6.336 3.071 1.960 1.00 0.00 C ATOM 194 O LEU A 138 7.439 2.540 1.845 1.00 0.00 O ATOM 195 CB LEU A 138 4.882 3.079 3.994 1.00 0.00 C ATOM 196 CG LEU A 138 5.255 1.649 4.391 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.451 1.651 5.331 1.00 0.00 C ATOM 198 CD2 LEU A 138 4.071 0.947 5.037 1.00 0.00 C ATOM 0 H LEU A 138 4.562 5.391 3.182 1.00 0.00 H new ATOM 0 HA LEU A 138 6.855 3.915 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.635 3.639 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.981 3.048 3.381 1.00 0.00 H new ATOM 0 HG LEU A 138 5.527 1.102 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.702 0.626 5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.304 2.114 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 138 6.206 2.215 6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 138 4.356 -0.068 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.767 1.493 5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 138 3.240 0.912 4.333 1.00 0.00 H new ATOM 210 N LEU A 139 5.412 3.032 0.999 1.00 0.00 N ATOM 211 CA LEU A 139 5.655 2.344 -0.261 1.00 0.00 C ATOM 212 C LEU A 139 6.872 2.942 -0.944 1.00 0.00 C ATOM 213 O LEU A 139 7.684 2.232 -1.538 1.00 0.00 O ATOM 214 CB LEU A 139 4.433 2.449 -1.175 1.00 0.00 C ATOM 215 CG LEU A 139 3.400 1.333 -1.008 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.995 1.868 -1.232 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.694 0.187 -1.964 1.00 0.00 C ATOM 0 H LEU A 139 4.493 3.468 1.072 1.00 0.00 H new ATOM 0 HA LEU A 139 5.840 1.290 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.944 3.406 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.773 2.456 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 139 3.464 0.955 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.274 1.060 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.785 2.655 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.917 2.274 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.949 -0.598 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.658 0.551 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.686 -0.215 -1.756 1.00 0.00 H new ATOM 229 N ALA A 140 6.998 4.258 -0.833 1.00 0.00 N ATOM 230 CA ALA A 140 8.128 4.965 -1.418 1.00 0.00 C ATOM 231 C ALA A 140 9.428 4.501 -0.772 1.00 0.00 C ATOM 232 O ALA A 140 10.472 4.436 -1.422 1.00 0.00 O ATOM 233 CB ALA A 140 7.958 6.467 -1.256 1.00 0.00 C ATOM 0 H ALA A 140 6.332 4.856 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 140 8.168 4.739 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.812 6.980 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.044 6.786 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.896 6.714 -0.196 1.00 0.00 H new ATOM 239 N GLU A 141 9.349 4.172 0.515 1.00 0.00 N ATOM 240 CA GLU A 141 10.509 3.704 1.262 1.00 0.00 C ATOM 241 C GLU A 141 10.901 2.299 0.825 1.00 0.00 C ATOM 242 O GLU A 141 12.066 2.024 0.541 1.00 0.00 O ATOM 243 CB GLU A 141 10.212 3.716 2.762 1.00 0.00 C ATOM 244 CG GLU A 141 9.927 5.103 3.317 1.00 0.00 C ATOM 245 CD GLU A 141 10.786 5.440 4.520 1.00 0.00 C ATOM 246 OE1 GLU A 141 11.952 5.843 4.323 1.00 0.00 O ATOM 247 OE2 GLU A 141 10.294 5.301 5.659 1.00 0.00 O ATOM 0 H GLU A 141 8.490 4.222 1.062 1.00 0.00 H new ATOM 0 HA GLU A 141 11.341 4.378 1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.355 3.072 2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 141 11.061 3.288 3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.096 5.844 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.876 5.169 3.597 1.00 0.00 H new ATOM 254 N HIS A 142 9.914 1.414 0.774 1.00 0.00 N ATOM 255 CA HIS A 142 10.141 0.031 0.372 1.00 0.00 C ATOM 256 C HIS A 142 10.461 -0.067 -1.120 1.00 0.00 C ATOM 257 O HIS A 142 10.888 -1.116 -1.602 1.00 0.00 O ATOM 258 CB HIS A 142 8.911 -0.823 0.693 1.00 0.00 C ATOM 259 CG HIS A 142 8.660 -0.989 2.161 1.00 0.00 C ATOM 260 ND1 HIS A 142 9.207 -2.011 2.909 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.911 -0.257 3.021 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.803 -1.901 4.162 1.00 0.00 C ATOM 263 NE2 HIS A 142 8.017 -0.846 4.256 1.00 0.00 N ATOM 0 H HIS A 142 8.945 1.630 1.007 1.00 0.00 H new ATOM 0 HA HIS A 142 10.998 -0.343 0.933 1.00 0.00 H new ATOM 0 HB2 HIS A 142 8.034 -0.369 0.232 1.00 0.00 H new ATOM 0 HB3 HIS A 142 9.035 -1.807 0.241 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.826 -2.738 2.551 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.337 0.626 2.779 1.00 0.00 H new ATOM 0 HE1 HIS A 142 9.071 -2.563 4.972 1.00 0.00 H new ATOM 272 N ASN A 143 10.251 1.030 -1.847 1.00 0.00 N ATOM 273 CA ASN A 143 10.517 1.060 -3.281 1.00 0.00 C ATOM 274 C ASN A 143 9.597 0.093 -4.021 1.00 0.00 C ATOM 275 O ASN A 143 10.038 -0.660 -4.890 1.00 0.00 O ATOM 276 CB ASN A 143 11.982 0.713 -3.560 1.00 0.00 C ATOM 277 CG ASN A 143 12.860 1.946 -3.654 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.971 2.564 -4.713 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.492 2.310 -2.543 1.00 0.00 N ATOM 0 H ASN A 143 9.898 1.907 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 143 10.320 2.069 -3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.356 0.063 -2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 143 12.048 0.151 -4.492 1.00 0.00 H new ATOM 0 HD21 ASN A 143 14.098 3.131 -2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.371 1.769 -1.687 1.00 0.00 H new ATOM 286 N LEU A 144 8.316 0.121 -3.670 1.00 0.00 N ATOM 287 CA LEU A 144 7.331 -0.751 -4.300 1.00 0.00 C ATOM 288 C LEU A 144 6.372 0.049 -5.171 1.00 0.00 C ATOM 289 O LEU A 144 6.471 1.273 -5.262 1.00 0.00 O ATOM 290 CB LEU A 144 6.542 -1.526 -3.242 1.00 0.00 C ATOM 291 CG LEU A 144 7.352 -1.961 -2.022 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.437 -2.531 -0.950 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.409 -2.980 -2.422 1.00 0.00 C ATOM 0 H LEU A 144 7.935 0.738 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 144 7.869 -1.458 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.710 -0.907 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 144 6.112 -2.412 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 144 7.856 -1.086 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.031 -2.836 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.718 -1.771 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.905 -3.395 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.977 -3.280 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.925 -3.855 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.083 -2.537 -3.155 1.00 0.00 H new ATOM 305 N ASP A 145 5.443 -0.652 -5.807 1.00 0.00 N ATOM 306 CA ASP A 145 4.459 -0.014 -6.674 1.00 0.00 C ATOM 307 C ASP A 145 3.042 -0.380 -6.248 1.00 0.00 C ATOM 308 O ASP A 145 2.715 -1.558 -6.097 1.00 0.00 O ATOM 309 CB ASP A 145 4.689 -0.424 -8.130 1.00 0.00 C ATOM 310 CG ASP A 145 4.159 0.604 -9.111 1.00 0.00 C ATOM 311 OD1 ASP A 145 3.182 1.302 -8.769 1.00 0.00 O ATOM 312 OD2 ASP A 145 4.723 0.712 -10.220 1.00 0.00 O ATOM 0 H ASP A 145 5.349 -1.665 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 145 4.578 1.066 -6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.756 -0.568 -8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.205 -1.383 -8.315 1.00 0.00 H new ATOM 317 N ALA A 146 2.205 0.634 -6.057 1.00 0.00 N ATOM 318 CA ALA A 146 0.822 0.416 -5.650 1.00 0.00 C ATOM 319 C ALA A 146 0.089 -0.472 -6.650 1.00 0.00 C ATOM 320 O ALA A 146 -0.690 -1.345 -6.267 1.00 0.00 O ATOM 321 CB ALA A 146 0.101 1.747 -5.497 1.00 0.00 C ATOM 0 H ALA A 146 2.460 1.614 -6.177 1.00 0.00 H new ATOM 0 HA ALA A 146 0.829 -0.094 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.930 1.569 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.604 2.348 -4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.112 2.278 -6.449 1.00 0.00 H new ATOM 327 N SER A 147 0.347 -0.244 -7.934 1.00 0.00 N ATOM 328 CA SER A 147 -0.285 -1.023 -8.993 1.00 0.00 C ATOM 329 C SER A 147 0.018 -2.511 -8.836 1.00 0.00 C ATOM 330 O SER A 147 -0.722 -3.360 -9.334 1.00 0.00 O ATOM 331 CB SER A 147 0.188 -0.537 -10.364 1.00 0.00 C ATOM 332 OG SER A 147 1.562 -0.190 -10.337 1.00 0.00 O ATOM 0 H SER A 147 0.990 0.475 -8.266 1.00 0.00 H new ATOM 0 HA SER A 147 -1.363 -0.882 -8.916 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.021 -1.317 -11.107 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.402 0.327 -10.671 1.00 0.00 H new ATOM 0 HG SER A 147 1.663 0.717 -9.980 1.00 0.00 H new ATOM 338 N ALA A 148 1.109 -2.822 -8.142 1.00 0.00 N ATOM 339 CA ALA A 148 1.504 -4.209 -7.923 1.00 0.00 C ATOM 340 C ALA A 148 0.829 -4.784 -6.683 1.00 0.00 C ATOM 341 O ALA A 148 0.655 -5.996 -6.564 1.00 0.00 O ATOM 342 CB ALA A 148 3.017 -4.312 -7.798 1.00 0.00 C ATOM 0 H ALA A 148 1.734 -2.134 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 148 1.180 -4.793 -8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.299 -5.352 -7.635 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.483 -3.949 -8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.354 -3.708 -6.955 1.00 0.00 H new ATOM 348 N ILE A 149 0.450 -3.906 -5.760 1.00 0.00 N ATOM 349 CA ILE A 149 -0.206 -4.326 -4.527 1.00 0.00 C ATOM 350 C ILE A 149 -1.709 -4.073 -4.593 1.00 0.00 C ATOM 351 O ILE A 149 -2.187 -3.348 -5.466 1.00 0.00 O ATOM 352 CB ILE A 149 0.378 -3.595 -3.299 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.888 -3.395 -3.462 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.077 -4.374 -2.027 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.535 -2.688 -2.291 1.00 0.00 C ATOM 0 H ILE A 149 0.586 -2.899 -5.843 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.025 -5.395 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.092 -2.614 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.362 -4.367 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.074 -2.821 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.495 -3.846 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.002 -4.468 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.522 -5.367 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.604 -2.581 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.088 -1.702 -2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.380 -3.271 -1.383 1.00 0.00 H new ATOM 367 N LYS A 150 -2.449 -4.677 -3.670 1.00 0.00 N ATOM 368 CA LYS A 150 -3.899 -4.517 -3.630 1.00 0.00 C ATOM 369 C LYS A 150 -4.317 -3.596 -2.490 1.00 0.00 C ATOM 370 O LYS A 150 -3.562 -3.383 -1.541 1.00 0.00 O ATOM 371 CB LYS A 150 -4.579 -5.880 -3.476 1.00 0.00 C ATOM 372 CG LYS A 150 -4.197 -6.876 -4.559 1.00 0.00 C ATOM 373 CD LYS A 150 -3.027 -7.745 -4.129 1.00 0.00 C ATOM 374 CE LYS A 150 -2.116 -8.073 -5.301 1.00 0.00 C ATOM 375 NZ LYS A 150 -2.458 -9.382 -5.923 1.00 0.00 N ATOM 0 H LYS A 150 -2.070 -5.281 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.214 -4.064 -4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -4.321 -6.297 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.660 -5.741 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.054 -7.508 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.937 -6.340 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.456 -7.231 -3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.401 -8.669 -3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -2.191 -7.285 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -1.081 -8.092 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -1.813 -9.568 -6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.362 -10.138 -5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.438 -9.356 -6.271 1.00 0.00 H new ATOM 389 N GLY A 151 -5.526 -3.053 -2.589 1.00 0.00 N ATOM 390 CA GLY A 151 -6.027 -2.160 -1.560 1.00 0.00 C ATOM 391 C GLY A 151 -7.300 -2.674 -0.916 1.00 0.00 C ATOM 392 O GLY A 151 -8.345 -2.751 -1.565 1.00 0.00 O ATOM 0 H GLY A 151 -6.169 -3.216 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.263 -2.029 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.214 -1.178 -1.995 1.00 0.00 H new ATOM 396 N THR A 152 -7.216 -3.027 0.363 1.00 0.00 N ATOM 397 CA THR A 152 -8.371 -3.535 1.094 1.00 0.00 C ATOM 398 C THR A 152 -9.088 -2.414 1.845 1.00 0.00 C ATOM 399 O THR A 152 -9.889 -2.672 2.744 1.00 0.00 O ATOM 400 CB THR A 152 -7.938 -4.625 2.075 1.00 0.00 C ATOM 401 OG1 THR A 152 -6.868 -4.173 2.885 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.493 -5.901 1.394 1.00 0.00 C ATOM 0 H THR A 152 -6.360 -2.970 0.914 1.00 0.00 H new ATOM 0 HA THR A 152 -9.066 -3.959 0.369 1.00 0.00 H new ATOM 0 HB THR A 152 -8.822 -4.843 2.674 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.021 -4.511 2.527 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.199 -6.632 2.147 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.314 -6.302 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.644 -5.689 0.744 1.00 0.00 H new ATOM 410 N GLY A 153 -8.796 -1.171 1.473 1.00 0.00 N ATOM 411 CA GLY A 153 -9.423 -0.034 2.123 1.00 0.00 C ATOM 412 C GLY A 153 -10.933 -0.060 2.009 1.00 0.00 C ATOM 413 O GLY A 153 -11.502 -0.965 1.398 1.00 0.00 O ATOM 0 H GLY A 153 -8.136 -0.931 0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.142 -0.021 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.044 0.887 1.681 1.00 0.00 H new ATOM 417 N VAL A 154 -11.586 0.939 2.594 1.00 0.00 N ATOM 418 CA VAL A 154 -13.040 1.029 2.551 1.00 0.00 C ATOM 419 C VAL A 154 -13.526 1.298 1.132 1.00 0.00 C ATOM 420 O VAL A 154 -13.902 2.420 0.793 1.00 0.00 O ATOM 421 CB VAL A 154 -13.563 2.139 3.483 1.00 0.00 C ATOM 422 CG1 VAL A 154 -15.080 2.082 3.582 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.928 2.024 4.860 1.00 0.00 C ATOM 0 H VAL A 154 -11.131 1.697 3.103 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.430 0.070 2.892 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.285 3.104 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.431 2.873 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.515 2.218 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.382 1.114 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.310 2.816 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.173 1.054 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.846 2.119 4.771 1.00 0.00 H new ATOM 433 N GLY A 155 -13.514 0.259 0.303 1.00 0.00 N ATOM 434 CA GLY A 155 -13.953 0.402 -1.073 1.00 0.00 C ATOM 435 C GLY A 155 -12.853 0.081 -2.068 1.00 0.00 C ATOM 436 O GLY A 155 -13.128 -0.328 -3.195 1.00 0.00 O ATOM 0 H GLY A 155 -13.208 -0.680 0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.803 -0.257 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.301 1.422 -1.236 1.00 0.00 H new ATOM 440 N GLY A 156 -11.605 0.266 -1.649 1.00 0.00 N ATOM 441 CA GLY A 156 -10.482 -0.013 -2.524 1.00 0.00 C ATOM 442 C GLY A 156 -9.355 0.989 -2.364 1.00 0.00 C ATOM 443 O GLY A 156 -9.160 1.854 -3.218 1.00 0.00 O ATOM 0 H GLY A 156 -11.352 0.604 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -10.105 -1.015 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.823 -0.009 -3.559 1.00 0.00 H new ATOM 447 N ARG A 157 -8.610 0.872 -1.269 1.00 0.00 N ATOM 448 CA ARG A 157 -7.495 1.774 -1.004 1.00 0.00 C ATOM 449 C ARG A 157 -6.335 1.026 -0.347 1.00 0.00 C ATOM 450 O ARG A 157 -6.545 0.109 0.446 1.00 0.00 O ATOM 451 CB ARG A 157 -7.968 2.957 -0.138 1.00 0.00 C ATOM 452 CG ARG A 157 -7.635 2.852 1.348 1.00 0.00 C ATOM 453 CD ARG A 157 -6.502 3.790 1.733 1.00 0.00 C ATOM 454 NE ARG A 157 -6.320 3.865 3.180 1.00 0.00 N ATOM 455 CZ ARG A 157 -7.180 4.457 4.006 1.00 0.00 C ATOM 456 NH1 ARG A 157 -8.283 5.024 3.533 1.00 0.00 N ATOM 457 NH2 ARG A 157 -6.937 4.481 5.310 1.00 0.00 N ATOM 0 H ARG A 157 -8.758 0.162 -0.552 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.130 2.171 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.524 3.872 -0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -9.048 3.055 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -8.521 3.088 1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -7.357 1.826 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -5.576 3.450 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.708 4.786 1.342 1.00 0.00 H new ATOM 0 HE ARG A 157 -5.485 3.439 3.581 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.476 5.008 2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -8.938 5.476 4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -6.092 4.046 5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -7.596 4.934 5.943 1.00 0.00 H new ATOM 471 N LEU A 158 -5.112 1.422 -0.688 1.00 0.00 N ATOM 472 CA LEU A 158 -3.920 0.787 -0.134 1.00 0.00 C ATOM 473 C LEU A 158 -3.823 1.030 1.369 1.00 0.00 C ATOM 474 O LEU A 158 -3.870 2.171 1.827 1.00 0.00 O ATOM 475 CB LEU A 158 -2.667 1.321 -0.835 1.00 0.00 C ATOM 476 CG LEU A 158 -1.566 0.287 -1.085 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.908 -0.125 0.222 1.00 0.00 C ATOM 478 CD2 LEU A 158 -2.124 -0.931 -1.810 1.00 0.00 C ATOM 0 H LEU A 158 -4.920 2.179 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 158 -3.994 -0.287 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.962 1.752 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.252 2.131 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.808 0.746 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.129 -0.860 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.467 0.750 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.656 -0.561 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.324 -1.653 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.905 -1.389 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.542 -0.624 -2.769 1.00 0.00 H new ATOM 490 N THR A 159 -3.686 -0.050 2.133 1.00 0.00 N ATOM 491 CA THR A 159 -3.583 0.050 3.585 1.00 0.00 C ATOM 492 C THR A 159 -2.272 -0.551 4.087 1.00 0.00 C ATOM 493 O THR A 159 -1.639 -1.355 3.399 1.00 0.00 O ATOM 494 CB THR A 159 -4.768 -0.651 4.252 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.307 -1.645 3.401 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.890 0.294 4.623 1.00 0.00 C ATOM 0 H THR A 159 -3.644 -1.003 1.771 1.00 0.00 H new ATOM 0 HA THR A 159 -3.598 1.107 3.850 1.00 0.00 H new ATOM 0 HB THR A 159 -4.367 -1.090 5.166 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.580 -2.093 2.920 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.698 -0.267 5.091 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.518 1.045 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.263 0.786 3.725 1.00 0.00 H new ATOM 504 N ARG A 160 -1.875 -0.160 5.295 1.00 0.00 N ATOM 505 CA ARG A 160 -0.642 -0.661 5.894 1.00 0.00 C ATOM 506 C ARG A 160 -0.655 -2.183 5.940 1.00 0.00 C ATOM 507 O ARG A 160 0.384 -2.829 5.802 1.00 0.00 O ATOM 508 CB ARG A 160 -0.467 -0.096 7.305 1.00 0.00 C ATOM 509 CG ARG A 160 0.986 0.033 7.734 1.00 0.00 C ATOM 510 CD ARG A 160 1.473 1.470 7.631 1.00 0.00 C ATOM 511 NE ARG A 160 1.156 2.243 8.829 1.00 0.00 N ATOM 512 CZ ARG A 160 1.431 3.537 8.971 1.00 0.00 C ATOM 513 NH1 ARG A 160 2.028 4.206 7.993 1.00 0.00 N ATOM 514 NH2 ARG A 160 1.109 4.164 10.095 1.00 0.00 N ATOM 0 H ARG A 160 -2.389 0.501 5.877 1.00 0.00 H new ATOM 0 HA ARG A 160 0.197 -0.335 5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.940 0.885 7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.990 -0.740 8.012 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.096 -0.317 8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.609 -0.609 7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 160 2.551 1.477 7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.018 1.945 6.762 1.00 0.00 H new ATOM 0 HE ARG A 160 0.697 1.762 9.603 1.00 0.00 H new ATOM 0 HH11 ARG A 160 2.278 3.728 7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 160 2.237 5.198 8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 160 0.651 3.654 10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 160 1.320 5.156 10.204 1.00 0.00 H new ATOM 528 N GLU A 161 -1.843 -2.749 6.117 1.00 0.00 N ATOM 529 CA GLU A 161 -1.999 -4.194 6.159 1.00 0.00 C ATOM 530 C GLU A 161 -1.683 -4.793 4.795 1.00 0.00 C ATOM 531 O GLU A 161 -1.095 -5.870 4.696 1.00 0.00 O ATOM 532 CB GLU A 161 -3.422 -4.568 6.580 1.00 0.00 C ATOM 533 CG GLU A 161 -3.626 -6.062 6.776 1.00 0.00 C ATOM 534 CD GLU A 161 -3.852 -6.438 8.228 1.00 0.00 C ATOM 535 OE1 GLU A 161 -3.445 -5.655 9.112 1.00 0.00 O ATOM 536 OE2 GLU A 161 -4.433 -7.513 8.480 1.00 0.00 O ATOM 0 H GLU A 161 -2.712 -2.227 6.234 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.303 -4.597 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.665 -4.052 7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -4.121 -4.210 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -4.481 -6.388 6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.754 -6.596 6.398 1.00 0.00 H new ATOM 543 N ASP A 162 -2.072 -4.077 3.743 1.00 0.00 N ATOM 544 CA ASP A 162 -1.827 -4.525 2.379 1.00 0.00 C ATOM 545 C ASP A 162 -0.332 -4.576 2.092 1.00 0.00 C ATOM 546 O ASP A 162 0.185 -5.583 1.608 1.00 0.00 O ATOM 547 CB ASP A 162 -2.518 -3.593 1.382 1.00 0.00 C ATOM 548 CG ASP A 162 -4.028 -3.722 1.419 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.523 -4.851 1.618 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.715 -2.693 1.251 1.00 0.00 O ATOM 0 H ASP A 162 -2.559 -3.183 3.812 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.238 -5.529 2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.239 -2.562 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.162 -3.814 0.376 1.00 0.00 H new ATOM 555 N VAL A 163 0.360 -3.482 2.397 1.00 0.00 N ATOM 556 CA VAL A 163 1.799 -3.406 2.175 1.00 0.00 C ATOM 557 C VAL A 163 2.539 -4.419 3.043 1.00 0.00 C ATOM 558 O VAL A 163 3.526 -5.016 2.611 1.00 0.00 O ATOM 559 CB VAL A 163 2.343 -1.994 2.472 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.827 -1.906 2.142 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.556 -0.947 1.699 1.00 0.00 C ATOM 0 H VAL A 163 -0.052 -2.639 2.797 1.00 0.00 H new ATOM 0 HA VAL A 163 1.971 -3.636 1.123 1.00 0.00 H new ATOM 0 HB VAL A 163 2.222 -1.797 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.189 -0.901 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.377 -2.628 2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.978 -2.125 1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.953 0.044 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.643 -1.142 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.507 -0.991 1.992 1.00 0.00 H new ATOM 571 N GLU A 164 2.056 -4.610 4.266 1.00 0.00 N ATOM 572 CA GLU A 164 2.672 -5.553 5.190 1.00 0.00 C ATOM 573 C GLU A 164 2.570 -6.979 4.660 1.00 0.00 C ATOM 574 O GLU A 164 3.557 -7.714 4.636 1.00 0.00 O ATOM 575 CB GLU A 164 2.008 -5.459 6.567 1.00 0.00 C ATOM 576 CG GLU A 164 2.499 -4.287 7.400 1.00 0.00 C ATOM 577 CD GLU A 164 3.532 -4.697 8.430 1.00 0.00 C ATOM 578 OE1 GLU A 164 3.486 -5.858 8.889 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.388 -3.858 8.781 1.00 0.00 O ATOM 0 H GLU A 164 1.240 -4.124 4.639 1.00 0.00 H new ATOM 0 HA GLU A 164 3.727 -5.294 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.929 -5.374 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.191 -6.384 7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 164 2.928 -3.532 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.651 -3.824 7.905 1.00 0.00 H new ATOM 586 N LYS A 165 1.372 -7.362 4.232 1.00 0.00 N ATOM 587 CA LYS A 165 1.146 -8.699 3.697 1.00 0.00 C ATOM 588 C LYS A 165 1.980 -8.923 2.441 1.00 0.00 C ATOM 589 O LYS A 165 2.489 -10.019 2.208 1.00 0.00 O ATOM 590 CB LYS A 165 -0.336 -8.903 3.383 1.00 0.00 C ATOM 591 CG LYS A 165 -1.185 -9.192 4.610 1.00 0.00 C ATOM 592 CD LYS A 165 -2.572 -8.580 4.484 1.00 0.00 C ATOM 593 CE LYS A 165 -3.419 -9.327 3.467 1.00 0.00 C ATOM 594 NZ LYS A 165 -4.236 -8.400 2.637 1.00 0.00 N ATOM 0 H LYS A 165 0.544 -6.766 4.245 1.00 0.00 H new ATOM 0 HA LYS A 165 1.450 -9.424 4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.720 -8.011 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.439 -9.728 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.273 -10.270 4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -0.691 -8.796 5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -3.068 -8.596 5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -2.484 -7.534 4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -2.772 -9.919 2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -4.076 -10.025 3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -4.799 -8.949 1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -4.872 -7.853 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -3.608 -7.750 2.123 1.00 0.00 H new ATOM 608 N TRP A 166 2.116 -7.874 1.637 1.00 0.00 N ATOM 609 CA TRP A 166 2.890 -7.951 0.404 1.00 0.00 C ATOM 610 C TRP A 166 4.375 -8.108 0.707 1.00 0.00 C ATOM 611 O TRP A 166 5.064 -8.916 0.085 1.00 0.00 O ATOM 612 CB TRP A 166 2.659 -6.699 -0.444 1.00 0.00 C ATOM 613 CG TRP A 166 3.257 -6.791 -1.815 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.432 -6.238 -2.236 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.707 -7.476 -2.945 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.647 -6.537 -3.558 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.602 -7.298 -4.017 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.546 -8.225 -3.155 1.00 0.00 C ATOM 619 CZ2 TRP A 166 3.371 -7.840 -5.278 1.00 0.00 C ATOM 620 CZ3 TRP A 166 1.318 -8.763 -4.408 1.00 0.00 C ATOM 621 CH2 TRP A 166 2.227 -8.569 -5.454 1.00 0.00 C ATOM 0 H TRP A 166 1.700 -6.960 1.817 1.00 0.00 H new ATOM 0 HA TRP A 166 2.557 -8.826 -0.154 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.587 -6.523 -0.534 1.00 0.00 H new ATOM 0 HB3 TRP A 166 3.082 -5.837 0.072 1.00 0.00 H new ATOM 0 HD1 TRP A 166 5.096 -5.651 -1.619 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.453 -6.242 -4.109 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.840 -8.381 -2.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.070 -7.690 -6.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.424 -9.343 -4.582 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.021 -9.004 -6.421 1.00 0.00 H new ATOM 632 N LEU A 167 4.863 -7.328 1.666 1.00 0.00 N ATOM 633 CA LEU A 167 6.268 -7.380 2.051 1.00 0.00 C ATOM 634 C LEU A 167 6.650 -8.770 2.546 1.00 0.00 C ATOM 635 O LEU A 167 7.740 -9.265 2.262 1.00 0.00 O ATOM 636 CB LEU A 167 6.555 -6.343 3.139 1.00 0.00 C ATOM 637 CG LEU A 167 6.627 -4.896 2.651 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.167 -3.941 3.742 1.00 0.00 C ATOM 639 CD2 LEU A 167 8.039 -4.554 2.202 1.00 0.00 C ATOM 0 H LEU A 167 4.306 -6.653 2.190 1.00 0.00 H new ATOM 0 HA LEU A 167 6.868 -7.153 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.780 -6.415 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.500 -6.596 3.620 1.00 0.00 H new ATOM 0 HG LEU A 167 5.959 -4.788 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.225 -2.916 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.137 -4.171 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.808 -4.051 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.071 -3.520 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.727 -4.680 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.332 -5.217 1.388 1.00 0.00 H new ATOM 651 N ALA A 168 5.744 -9.392 3.291 1.00 0.00 N ATOM 652 CA ALA A 168 5.982 -10.725 3.832 1.00 0.00 C ATOM 653 C ALA A 168 5.636 -11.811 2.816 1.00 0.00 C ATOM 654 O ALA A 168 6.125 -12.937 2.909 1.00 0.00 O ATOM 655 CB ALA A 168 5.182 -10.925 5.110 1.00 0.00 C ATOM 0 H ALA A 168 4.837 -8.994 3.535 1.00 0.00 H new ATOM 0 HA ALA A 168 7.045 -10.808 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.369 -11.924 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.484 -10.182 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 168 4.119 -10.812 4.895 1.00 0.00 H new ATOM 661 N LYS A 169 4.789 -11.472 1.848 1.00 0.00 N ATOM 662 CA LYS A 169 4.384 -12.427 0.822 1.00 0.00 C ATOM 663 C LYS A 169 4.440 -11.798 -0.566 1.00 0.00 C ATOM 664 O LYS A 169 3.418 -11.386 -1.115 1.00 0.00 O ATOM 665 CB LYS A 169 2.971 -12.941 1.105 1.00 0.00 C ATOM 666 CG LYS A 169 2.921 -14.034 2.160 1.00 0.00 C ATOM 667 CD LYS A 169 2.885 -15.417 1.529 1.00 0.00 C ATOM 668 CE LYS A 169 2.007 -16.370 2.324 1.00 0.00 C ATOM 669 NZ LYS A 169 0.676 -16.565 1.683 1.00 0.00 N ATOM 0 H LYS A 169 4.371 -10.546 1.753 1.00 0.00 H new ATOM 0 HA LYS A 169 5.082 -13.264 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.348 -12.107 1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 169 2.539 -13.321 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 169 3.791 -13.953 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 169 2.040 -13.896 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 169 2.511 -15.342 0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 169 3.897 -15.817 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 169 2.509 -17.333 2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 169 1.870 -15.981 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 0.108 -17.221 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 0.186 -15.650 1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 0.804 -16.960 0.729 1.00 0.00 H new ATOM 683 N ALA A 170 5.642 -11.730 -1.129 1.00 0.00 N ATOM 684 CA ALA A 170 5.835 -11.155 -2.455 1.00 0.00 C ATOM 685 C ALA A 170 7.023 -11.796 -3.163 1.00 0.00 C ATOM 686 O ALA A 170 8.168 -11.572 -2.715 1.00 0.00 O ATOM 687 CB ALA A 170 6.026 -9.650 -2.356 1.00 0.00 C ATOM 688 OXT ALA A 170 6.801 -12.515 -4.159 1.00 0.00 O ATOM 0 H ALA A 170 6.498 -12.066 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 170 4.941 -11.358 -3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 170 6.169 -9.235 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 170 5.144 -9.201 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 170 6.902 -9.434 -1.744 1.00 0.00 H new TER 694 ALA A 170