USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 385 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 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl 173:sc= -4.65! (180deg=-4.79!) USER MOD Single : A 140 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00462) USER MOD Single : A 147 SER OG : rot 80:sc= 1.29 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 54:sc= 1.16 USER MOD Single : A 159 THR OG1 : rot -93:sc= -0.533 USER MOD Single : A 164 LYS NZ :NH3+ -158:sc= -3.04 (180deg=-4.4!) USER MOD Single : A 170 THR OG1 : rot -90:sc= 0.694 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 THR OG1 : rot 180:sc= 0.0505 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 125 22.056 -2.048 7.988 1.00 0.00 N ATOM 2 CA GLY A 125 21.641 -0.642 7.727 1.00 0.00 C ATOM 3 C GLY A 125 20.227 -0.358 8.194 1.00 0.00 C ATOM 4 O GLY A 125 19.874 -0.647 9.338 1.00 0.00 O ATOM 0 HA2 GLY A 125 22.330 0.036 8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 125 21.716 -0.437 6.659 1.00 0.00 H new ATOM 10 N SER A 126 19.415 0.209 7.308 1.00 0.00 N ATOM 11 CA SER A 126 18.032 0.533 7.636 1.00 0.00 C ATOM 12 C SER A 126 17.089 -0.568 7.160 1.00 0.00 C ATOM 13 O SER A 126 16.887 -0.751 5.959 1.00 0.00 O ATOM 14 CB SER A 126 17.635 1.868 7.004 1.00 0.00 C ATOM 15 OG SER A 126 18.702 2.799 7.063 1.00 0.00 O ATOM 0 H SER A 126 19.691 0.454 6.357 1.00 0.00 H new ATOM 0 HA SER A 126 17.951 0.614 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 126 17.344 1.710 5.966 1.00 0.00 H new ATOM 0 HB3 SER A 126 16.765 2.274 7.521 1.00 0.00 H new ATOM 0 HG SER A 126 18.423 3.643 6.651 1.00 0.00 H new ATOM 21 N ARG A 127 16.515 -1.300 8.111 1.00 0.00 N ATOM 22 CA ARG A 127 15.594 -2.383 7.789 1.00 0.00 C ATOM 23 C ARG A 127 14.162 -2.007 8.156 1.00 0.00 C ATOM 24 O ARG A 127 13.353 -2.867 8.504 1.00 0.00 O ATOM 25 CB ARG A 127 16.002 -3.662 8.524 1.00 0.00 C ATOM 26 CG ARG A 127 17.192 -4.371 7.897 1.00 0.00 C ATOM 27 CD ARG A 127 16.756 -5.553 7.047 1.00 0.00 C ATOM 28 NE ARG A 127 17.207 -5.429 5.663 1.00 0.00 N ATOM 29 CZ ARG A 127 16.787 -6.212 4.673 1.00 0.00 C ATOM 30 NH1 ARG A 127 15.906 -7.176 4.908 1.00 0.00 N ATOM 31 NH2 ARG A 127 17.248 -6.031 3.443 1.00 0.00 N ATOM 0 H ARG A 127 16.672 -1.162 9.109 1.00 0.00 H new ATOM 0 HA ARG A 127 15.640 -2.559 6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 127 16.240 -3.416 9.559 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.153 -4.345 8.546 1.00 0.00 H new ATOM 0 HG2 ARG A 127 17.753 -3.667 7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 127 17.866 -4.715 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 127 17.152 -6.473 7.476 1.00 0.00 H new ATOM 0 HD3 ARG A 127 15.669 -5.633 7.068 1.00 0.00 H new ATOM 0 HE ARG A 127 17.884 -4.699 5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 127 15.547 -7.320 5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 127 15.588 -7.773 4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 127 17.925 -5.291 3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 127 16.926 -6.632 2.684 1.00 0.00 H new ATOM 45 N GLU A 128 13.855 -0.715 8.074 1.00 0.00 N ATOM 46 CA GLU A 128 12.520 -0.227 8.396 1.00 0.00 C ATOM 47 C GLU A 128 11.538 -0.548 7.274 1.00 0.00 C ATOM 48 O GLU A 128 11.912 -1.135 6.259 1.00 0.00 O ATOM 49 CB GLU A 128 12.554 1.283 8.645 1.00 0.00 C ATOM 50 CG GLU A 128 11.545 1.751 9.682 1.00 0.00 C ATOM 51 CD GLU A 128 10.637 2.850 9.162 1.00 0.00 C ATOM 52 OE1 GLU A 128 10.360 2.863 7.944 1.00 0.00 O ATOM 53 OE2 GLU A 128 10.204 3.696 9.973 1.00 0.00 O ATOM 0 H GLU A 128 14.512 0.011 7.788 1.00 0.00 H new ATOM 0 HA GLU A 128 12.184 -0.731 9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 128 13.555 1.567 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 128 12.365 1.802 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 128 10.938 0.904 10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 128 12.076 2.111 10.563 1.00 0.00 H new ATOM 60 N VAL A 129 10.281 -0.160 7.463 1.00 0.00 N ATOM 61 CA VAL A 129 9.247 -0.407 6.467 1.00 0.00 C ATOM 62 C VAL A 129 9.291 0.642 5.365 1.00 0.00 C ATOM 63 O VAL A 129 9.176 1.839 5.631 1.00 0.00 O ATOM 64 CB VAL A 129 7.838 -0.395 7.091 1.00 0.00 C ATOM 65 CG1 VAL A 129 6.866 -1.186 6.230 1.00 0.00 C ATOM 66 CG2 VAL A 129 7.864 -0.937 8.513 1.00 0.00 C ATOM 0 H VAL A 129 9.955 0.327 8.298 1.00 0.00 H new ATOM 0 HA VAL A 129 9.447 -1.395 6.051 1.00 0.00 H new ATOM 0 HB VAL A 129 7.496 0.639 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 129 5.876 -1.166 6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.816 -0.742 5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 129 7.208 -2.218 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 129 6.857 -0.917 8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 129 8.233 -1.963 8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 129 8.522 -0.320 9.126 1.00 0.00 H new ATOM 76 N ALA A 130 9.451 0.192 4.127 1.00 0.00 N ATOM 77 CA ALA A 130 9.498 1.105 2.995 1.00 0.00 C ATOM 78 C ALA A 130 8.119 1.270 2.371 1.00 0.00 C ATOM 79 O ALA A 130 7.278 0.374 2.449 1.00 0.00 O ATOM 80 CB ALA A 130 10.492 0.616 1.951 1.00 0.00 C ATOM 0 H ALA A 130 9.550 -0.794 3.883 1.00 0.00 H new ATOM 0 HA ALA A 130 9.828 2.077 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.512 1.313 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.485 0.554 2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.191 -0.370 1.596 1.00 0.00 H new ATOM 86 N ALA A 131 7.899 2.416 1.746 1.00 0.00 N ATOM 87 CA ALA A 131 6.627 2.701 1.095 1.00 0.00 C ATOM 88 C ALA A 131 6.819 3.664 -0.070 1.00 0.00 C ATOM 89 O ALA A 131 6.850 4.880 0.121 1.00 0.00 O ATOM 90 CB ALA A 131 5.636 3.270 2.098 1.00 0.00 C ATOM 0 H ALA A 131 8.586 3.167 1.675 1.00 0.00 H new ATOM 0 HA ALA A 131 6.227 1.767 0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.690 3.478 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.472 2.547 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.034 4.193 2.519 1.00 0.00 H new ATOM 96 N MET A 132 6.953 3.118 -1.279 1.00 0.00 N ATOM 97 CA MET A 132 7.145 3.946 -2.470 1.00 0.00 C ATOM 98 C MET A 132 6.143 5.104 -2.498 1.00 0.00 C ATOM 99 O MET A 132 5.189 5.125 -1.721 1.00 0.00 O ATOM 100 CB MET A 132 7.032 3.096 -3.740 1.00 0.00 C ATOM 101 CG MET A 132 5.749 2.286 -3.835 1.00 0.00 C ATOM 102 SD MET A 132 5.535 1.520 -5.454 1.00 0.00 S ATOM 103 CE MET A 132 6.869 0.325 -5.442 1.00 0.00 C ATOM 0 H MET A 132 6.932 2.114 -1.459 1.00 0.00 H new ATOM 0 HA MET A 132 8.148 4.371 -2.431 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.101 3.750 -4.609 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.882 2.416 -3.785 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.754 1.512 -3.068 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.898 2.934 -3.628 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.794 -0.313 -6.323 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.826 0.847 -5.453 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.801 -0.288 -4.543 1.00 0.00 H new ATOM 113 N PRO A 133 6.358 6.096 -3.382 1.00 0.00 N ATOM 114 CA PRO A 133 5.482 7.272 -3.489 1.00 0.00 C ATOM 115 C PRO A 133 4.080 6.925 -3.975 1.00 0.00 C ATOM 116 O PRO A 133 3.086 7.365 -3.398 1.00 0.00 O ATOM 117 CB PRO A 133 6.193 8.167 -4.514 1.00 0.00 C ATOM 118 CG PRO A 133 7.583 7.634 -4.609 1.00 0.00 C ATOM 119 CD PRO A 133 7.475 6.164 -4.333 1.00 0.00 C ATOM 0 HA PRO A 133 5.334 7.744 -2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.692 8.131 -5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.193 9.209 -4.193 1.00 0.00 H new ATOM 0 HG2 PRO A 133 8.005 7.817 -5.597 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.239 8.121 -3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.270 5.596 -5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.395 5.763 -3.907 1.00 0.00 H new ATOM 127 N ALA A 134 4.007 6.143 -5.044 1.00 0.00 N ATOM 128 CA ALA A 134 2.727 5.744 -5.616 1.00 0.00 C ATOM 129 C ALA A 134 1.824 5.096 -4.567 1.00 0.00 C ATOM 130 O ALA A 134 0.660 5.470 -4.416 1.00 0.00 O ATOM 131 CB ALA A 134 2.959 4.794 -6.781 1.00 0.00 C ATOM 0 H ALA A 134 4.821 5.771 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 134 2.219 6.638 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.000 4.498 -7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.555 5.293 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.488 3.909 -6.429 1.00 0.00 H new ATOM 137 N ALA A 135 2.372 4.126 -3.846 1.00 0.00 N ATOM 138 CA ALA A 135 1.625 3.420 -2.813 1.00 0.00 C ATOM 139 C ALA A 135 1.345 4.325 -1.621 1.00 0.00 C ATOM 140 O ALA A 135 0.299 4.223 -0.982 1.00 0.00 O ATOM 141 CB ALA A 135 2.384 2.179 -2.377 1.00 0.00 C ATOM 0 H ALA A 135 3.335 3.809 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 135 0.665 3.117 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.817 1.659 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.523 1.518 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.357 2.468 -1.980 1.00 0.00 H new ATOM 147 N ARG A 136 2.284 5.216 -1.333 1.00 0.00 N ATOM 148 CA ARG A 136 2.136 6.151 -0.226 1.00 0.00 C ATOM 149 C ARG A 136 1.036 7.156 -0.528 1.00 0.00 C ATOM 150 O ARG A 136 0.159 7.414 0.297 1.00 0.00 O ATOM 151 CB ARG A 136 3.449 6.886 0.016 1.00 0.00 C ATOM 152 CG ARG A 136 4.261 6.311 1.160 1.00 0.00 C ATOM 153 CD ARG A 136 5.195 7.348 1.763 1.00 0.00 C ATOM 154 NE ARG A 136 6.581 6.886 1.794 1.00 0.00 N ATOM 155 CZ ARG A 136 7.628 7.690 1.958 1.00 0.00 C ATOM 156 NH1 ARG A 136 7.452 8.998 2.106 1.00 0.00 N ATOM 157 NH2 ARG A 136 8.854 7.187 1.977 1.00 0.00 N ATOM 0 H ARG A 136 3.157 5.311 -1.851 1.00 0.00 H new ATOM 0 HA ARG A 136 1.868 5.590 0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 136 4.047 6.855 -0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.237 7.935 0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.588 5.935 1.931 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.843 5.461 0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 136 5.133 8.270 1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.869 7.584 2.776 1.00 0.00 H new ATOM 0 HE ARG A 136 6.756 5.887 1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 136 6.511 9.390 2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 136 8.258 9.610 2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 136 8.995 6.183 1.866 1.00 0.00 H new ATOM 0 HH22 ARG A 136 9.656 7.804 2.103 1.00 0.00 H new ATOM 171 N ARG A 137 1.098 7.716 -1.726 1.00 0.00 N ATOM 172 CA ARG A 137 0.121 8.699 -2.174 1.00 0.00 C ATOM 173 C ARG A 137 -1.289 8.129 -2.116 1.00 0.00 C ATOM 174 O ARG A 137 -2.175 8.696 -1.476 1.00 0.00 O ATOM 175 CB ARG A 137 0.434 9.141 -3.601 1.00 0.00 C ATOM 176 CG ARG A 137 -0.464 10.262 -4.102 1.00 0.00 C ATOM 177 CD ARG A 137 0.301 11.567 -4.250 1.00 0.00 C ATOM 178 NE ARG A 137 -0.436 12.548 -5.044 1.00 0.00 N ATOM 179 CZ ARG A 137 0.127 13.600 -5.631 1.00 0.00 C ATOM 180 NH1 ARG A 137 1.432 13.815 -5.516 1.00 0.00 N ATOM 181 NH2 ARG A 137 -0.616 14.441 -6.337 1.00 0.00 N ATOM 0 H ARG A 137 1.822 7.504 -2.412 1.00 0.00 H new ATOM 0 HA ARG A 137 0.178 9.559 -1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.472 9.469 -3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.337 8.284 -4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -0.896 9.982 -5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -1.293 10.402 -3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.506 11.981 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.265 11.371 -4.720 1.00 0.00 H new ATOM 0 HE ARG A 137 -1.442 12.418 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 137 2.009 13.171 -4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 137 1.857 14.624 -5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -1.619 14.281 -6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -0.185 15.248 -6.787 1.00 0.00 H new ATOM 195 N LEU A 138 -1.490 7.004 -2.791 1.00 0.00 N ATOM 196 CA LEU A 138 -2.784 6.356 -2.820 1.00 0.00 C ATOM 197 C LEU A 138 -3.203 5.930 -1.418 1.00 0.00 C ATOM 198 O LEU A 138 -4.360 6.071 -1.042 1.00 0.00 O ATOM 199 CB LEU A 138 -2.731 5.147 -3.750 1.00 0.00 C ATOM 200 CG LEU A 138 -1.864 4.000 -3.259 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.638 3.127 -2.288 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.367 3.184 -4.436 1.00 0.00 C ATOM 0 H LEU A 138 -0.766 6.524 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.524 7.063 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.745 4.778 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.362 5.471 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 138 -1.002 4.410 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -2.002 2.310 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.952 3.725 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.517 2.718 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.746 2.364 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.218 2.780 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.778 3.820 -5.097 1.00 0.00 H new ATOM 214 N ALA A 139 -2.255 5.403 -0.648 1.00 0.00 N ATOM 215 CA ALA A 139 -2.537 4.957 0.712 1.00 0.00 C ATOM 216 C ALA A 139 -3.158 6.079 1.538 1.00 0.00 C ATOM 217 O ALA A 139 -4.081 5.851 2.320 1.00 0.00 O ATOM 218 CB ALA A 139 -1.265 4.451 1.377 1.00 0.00 C ATOM 0 H ALA A 139 -1.287 5.275 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.255 4.139 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.491 4.122 2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.863 3.615 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.529 5.254 1.412 1.00 0.00 H new ATOM 224 N LYS A 140 -2.642 7.291 1.354 1.00 0.00 N ATOM 225 CA LYS A 140 -3.140 8.454 2.077 1.00 0.00 C ATOM 226 C LYS A 140 -4.458 8.943 1.484 1.00 0.00 C ATOM 227 O LYS A 140 -5.310 9.473 2.196 1.00 0.00 O ATOM 228 CB LYS A 140 -2.103 9.579 2.051 1.00 0.00 C ATOM 229 CG LYS A 140 -1.268 9.666 3.318 1.00 0.00 C ATOM 230 CD LYS A 140 0.057 8.939 3.163 1.00 0.00 C ATOM 231 CE LYS A 140 0.697 8.654 4.512 1.00 0.00 C ATOM 232 NZ LYS A 140 1.081 9.906 5.222 1.00 0.00 N ATOM 0 H LYS A 140 -1.878 7.492 0.709 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.318 8.159 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.440 9.431 1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.614 10.529 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -1.084 10.712 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -1.824 9.237 4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.101 8.002 2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 140 0.735 9.541 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 140 0.002 8.085 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 140 1.581 8.032 4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 1.544 9.667 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 1.737 10.454 4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 0.230 10.473 5.411 1.00 0.00 H new ATOM 246 N GLU A 141 -4.622 8.763 0.176 1.00 0.00 N ATOM 247 CA GLU A 141 -5.841 9.190 -0.506 1.00 0.00 C ATOM 248 C GLU A 141 -6.964 8.171 -0.311 1.00 0.00 C ATOM 249 O GLU A 141 -8.143 8.495 -0.450 1.00 0.00 O ATOM 250 CB GLU A 141 -5.569 9.394 -1.999 1.00 0.00 C ATOM 251 CG GLU A 141 -6.802 9.788 -2.797 1.00 0.00 C ATOM 252 CD GLU A 141 -7.242 11.213 -2.524 1.00 0.00 C ATOM 253 OE1 GLU A 141 -6.513 12.145 -2.922 1.00 0.00 O ATOM 254 OE2 GLU A 141 -8.315 11.396 -1.912 1.00 0.00 O ATOM 0 H GLU A 141 -3.929 8.326 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.159 10.137 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.808 10.165 -2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.158 8.474 -2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -6.594 9.673 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.619 9.107 -2.557 1.00 0.00 H new ATOM 261 N LEU A 142 -6.584 6.940 0.011 1.00 0.00 N ATOM 262 CA LEU A 142 -7.537 5.864 0.228 1.00 0.00 C ATOM 263 C LEU A 142 -7.848 5.712 1.713 1.00 0.00 C ATOM 264 O LEU A 142 -8.932 5.271 2.091 1.00 0.00 O ATOM 265 CB LEU A 142 -6.966 4.551 -0.313 1.00 0.00 C ATOM 266 CG LEU A 142 -7.101 4.354 -1.825 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.813 3.793 -2.410 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.272 3.435 -2.136 1.00 0.00 C ATOM 0 H LEU A 142 -5.609 6.663 0.128 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.460 6.107 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.910 4.497 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.464 3.722 0.191 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.290 5.325 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.929 3.660 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.994 4.485 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.592 2.831 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.355 3.304 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -8.109 2.466 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.192 3.875 -1.752 1.00 0.00 H new ATOM 280 N GLY A 143 -6.878 6.072 2.548 1.00 0.00 N ATOM 281 CA GLY A 143 -7.055 5.960 3.982 1.00 0.00 C ATOM 282 C GLY A 143 -6.839 4.545 4.467 1.00 0.00 C ATOM 283 O GLY A 143 -7.596 4.039 5.296 1.00 0.00 O ATOM 0 H GLY A 143 -5.973 6.439 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.357 6.628 4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.060 6.287 4.251 1.00 0.00 H new ATOM 287 N ILE A 144 -5.804 3.902 3.939 1.00 0.00 N ATOM 288 CA ILE A 144 -5.486 2.530 4.309 1.00 0.00 C ATOM 289 C ILE A 144 -4.115 2.446 4.977 1.00 0.00 C ATOM 290 O ILE A 144 -3.127 2.965 4.454 1.00 0.00 O ATOM 291 CB ILE A 144 -5.526 1.605 3.071 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.846 0.164 3.489 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.217 1.678 2.292 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.633 -0.652 3.882 1.00 0.00 C ATOM 0 H ILE A 144 -5.170 4.311 3.252 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.240 2.197 5.022 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.321 1.950 2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.542 0.187 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.356 -0.337 2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.272 1.018 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.049 2.702 1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.393 1.366 2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.946 -1.657 4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.944 -0.709 3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.134 -0.178 4.727 1.00 0.00 H new ATOM 306 N ASP A 145 -4.060 1.793 6.131 1.00 0.00 N ATOM 307 CA ASP A 145 -2.810 1.645 6.866 1.00 0.00 C ATOM 308 C ASP A 145 -1.748 0.971 6.003 1.00 0.00 C ATOM 309 O ASP A 145 -1.754 -0.249 5.839 1.00 0.00 O ATOM 310 CB ASP A 145 -3.037 0.826 8.138 1.00 0.00 C ATOM 311 CG ASP A 145 -1.966 1.071 9.184 1.00 0.00 C ATOM 312 OD1 ASP A 145 -0.812 1.351 8.797 1.00 0.00 O ATOM 313 OD2 ASP A 145 -2.283 0.983 10.389 1.00 0.00 O ATOM 0 H ASP A 145 -4.867 1.357 6.578 1.00 0.00 H new ATOM 0 HA ASP A 145 -2.458 2.640 7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -4.013 1.073 8.556 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.058 -0.234 7.885 1.00 0.00 H new ATOM 318 N ALA A 146 -0.836 1.768 5.454 1.00 0.00 N ATOM 319 CA ALA A 146 0.227 1.233 4.613 1.00 0.00 C ATOM 320 C ALA A 146 1.080 0.239 5.391 1.00 0.00 C ATOM 321 O ALA A 146 1.428 -0.827 4.881 1.00 0.00 O ATOM 322 CB ALA A 146 1.085 2.359 4.054 1.00 0.00 C ATOM 0 H ALA A 146 -0.812 2.780 5.576 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.231 0.705 3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 146 1.873 1.940 3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.465 3.027 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.533 2.918 4.876 1.00 0.00 H new ATOM 328 N SER A 147 1.404 0.582 6.635 1.00 0.00 N ATOM 329 CA SER A 147 2.203 -0.297 7.481 1.00 0.00 C ATOM 330 C SER A 147 1.527 -1.653 7.605 1.00 0.00 C ATOM 331 O SER A 147 2.152 -2.691 7.395 1.00 0.00 O ATOM 332 CB SER A 147 2.412 0.324 8.865 1.00 0.00 C ATOM 333 OG SER A 147 1.666 1.520 9.008 1.00 0.00 O ATOM 0 H SER A 147 1.127 1.458 7.077 1.00 0.00 H new ATOM 0 HA SER A 147 3.181 -0.430 7.018 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.114 -0.388 9.635 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.471 0.533 9.017 1.00 0.00 H new ATOM 0 HG SER A 147 0.732 1.301 9.207 1.00 0.00 H new ATOM 339 N LYS A 148 0.234 -1.636 7.913 1.00 0.00 N ATOM 340 CA LYS A 148 -0.529 -2.869 8.025 1.00 0.00 C ATOM 341 C LYS A 148 -0.448 -3.633 6.703 1.00 0.00 C ATOM 342 O LYS A 148 -0.534 -4.861 6.671 1.00 0.00 O ATOM 343 CB LYS A 148 -1.983 -2.565 8.416 1.00 0.00 C ATOM 344 CG LYS A 148 -2.974 -2.638 7.266 1.00 0.00 C ATOM 345 CD LYS A 148 -3.423 -4.067 7.020 1.00 0.00 C ATOM 346 CE LYS A 148 -4.787 -4.338 7.633 1.00 0.00 C ATOM 347 NZ LYS A 148 -4.847 -5.672 8.290 1.00 0.00 N ATOM 0 H LYS A 148 -0.303 -0.786 8.088 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.107 -3.494 8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.292 -3.267 9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.027 -1.568 8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.840 -2.015 7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.516 -2.237 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.461 -4.258 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.691 -4.757 7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.016 -3.563 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.551 -4.281 6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -5.794 -5.817 8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -4.653 -6.414 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.136 -5.718 9.047 1.00 0.00 H new ATOM 361 N VAL A 149 -0.255 -2.883 5.616 1.00 0.00 N ATOM 362 CA VAL A 149 -0.129 -3.463 4.289 1.00 0.00 C ATOM 363 C VAL A 149 1.311 -3.908 4.048 1.00 0.00 C ATOM 364 O VAL A 149 2.118 -3.162 3.500 1.00 0.00 O ATOM 365 CB VAL A 149 -0.547 -2.448 3.199 1.00 0.00 C ATOM 366 CG1 VAL A 149 -0.129 -2.919 1.812 1.00 0.00 C ATOM 367 CG2 VAL A 149 -2.045 -2.199 3.253 1.00 0.00 C ATOM 0 H VAL A 149 -0.183 -1.866 5.636 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.792 -4.326 4.232 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.030 -1.509 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.438 -2.183 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 149 0.954 -3.036 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.604 -3.876 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.323 -1.483 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.576 -3.136 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.312 -1.799 4.231 1.00 0.00 H new ATOM 377 N LYS A 150 1.628 -5.124 4.478 1.00 0.00 N ATOM 378 CA LYS A 150 2.973 -5.673 4.328 1.00 0.00 C ATOM 379 C LYS A 150 3.477 -5.544 2.893 1.00 0.00 C ATOM 380 O LYS A 150 3.191 -6.389 2.044 1.00 0.00 O ATOM 381 CB LYS A 150 2.985 -7.143 4.749 1.00 0.00 C ATOM 382 CG LYS A 150 4.336 -7.820 4.568 1.00 0.00 C ATOM 383 CD LYS A 150 4.950 -8.204 5.905 1.00 0.00 C ATOM 384 CE LYS A 150 4.845 -9.699 6.163 1.00 0.00 C ATOM 385 NZ LYS A 150 6.185 -10.342 6.256 1.00 0.00 N ATOM 0 H LYS A 150 0.968 -5.753 4.936 1.00 0.00 H new ATOM 0 HA LYS A 150 3.640 -5.100 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 150 2.690 -7.214 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.237 -7.684 4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 150 4.218 -8.711 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 150 5.011 -7.151 4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 150 5.998 -7.904 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 150 4.448 -7.660 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 150 4.295 -9.870 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 150 4.273 -10.166 5.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 6.070 -11.360 6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 6.700 -10.201 5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 6.722 -9.914 7.037 1.00 0.00 H new ATOM 399 N GLY A 151 4.237 -4.484 2.634 1.00 0.00 N ATOM 400 CA GLY A 151 4.778 -4.264 1.307 1.00 0.00 C ATOM 401 C GLY A 151 5.866 -5.257 0.948 1.00 0.00 C ATOM 402 O GLY A 151 6.691 -5.615 1.788 1.00 0.00 O ATOM 0 H GLY A 151 4.487 -3.773 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 151 3.973 -4.332 0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.180 -3.253 1.246 1.00 0.00 H new ATOM 406 N THR A 152 5.869 -5.701 -0.305 1.00 0.00 N ATOM 407 CA THR A 152 6.868 -6.659 -0.775 1.00 0.00 C ATOM 408 C THR A 152 7.711 -6.067 -1.906 1.00 0.00 C ATOM 409 O THR A 152 8.425 -6.789 -2.602 1.00 0.00 O ATOM 410 CB THR A 152 6.189 -7.962 -1.236 1.00 0.00 C ATOM 411 OG1 THR A 152 6.475 -8.239 -2.596 1.00 0.00 O ATOM 412 CG2 THR A 152 4.683 -7.943 -1.086 1.00 0.00 C ATOM 0 H THR A 152 5.193 -5.414 -1.013 1.00 0.00 H new ATOM 0 HA THR A 152 7.534 -6.887 0.058 1.00 0.00 H new ATOM 0 HB THR A 152 6.599 -8.733 -0.583 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.445 -8.235 -2.734 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.271 -8.892 -1.430 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.424 -7.793 -0.038 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.268 -7.130 -1.682 1.00 0.00 H new ATOM 420 N GLY A 153 7.624 -4.752 -2.087 1.00 0.00 N ATOM 421 CA GLY A 153 8.383 -4.099 -3.138 1.00 0.00 C ATOM 422 C GLY A 153 9.875 -4.067 -2.854 1.00 0.00 C ATOM 423 O GLY A 153 10.290 -4.137 -1.696 1.00 0.00 O ATOM 0 H GLY A 153 7.043 -4.129 -1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.208 -4.617 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.019 -3.079 -3.262 1.00 0.00 H new ATOM 427 N PRO A 154 10.711 -3.953 -3.904 1.00 0.00 N ATOM 428 CA PRO A 154 12.172 -3.913 -3.766 1.00 0.00 C ATOM 429 C PRO A 154 12.636 -2.997 -2.641 1.00 0.00 C ATOM 430 O PRO A 154 12.609 -1.773 -2.771 1.00 0.00 O ATOM 431 CB PRO A 154 12.631 -3.376 -5.120 1.00 0.00 C ATOM 432 CG PRO A 154 11.591 -3.847 -6.077 1.00 0.00 C ATOM 433 CD PRO A 154 10.292 -3.850 -5.316 1.00 0.00 C ATOM 0 HA PRO A 154 12.583 -4.890 -3.511 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.701 -2.288 -5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.617 -3.757 -5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.533 -3.189 -6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 154 11.827 -4.844 -6.449 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.720 -2.940 -5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.659 -4.688 -5.608 1.00 0.00 H new ATOM 441 N GLY A 155 13.062 -3.598 -1.537 1.00 0.00 N ATOM 442 CA GLY A 155 13.525 -2.826 -0.400 1.00 0.00 C ATOM 443 C GLY A 155 12.455 -2.674 0.661 1.00 0.00 C ATOM 444 O GLY A 155 12.510 -1.758 1.482 1.00 0.00 O ATOM 0 H GLY A 155 13.095 -4.609 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.399 -3.311 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.842 -1.839 -0.738 1.00 0.00 H new ATOM 448 N GLY A 156 11.476 -3.574 0.642 1.00 0.00 N ATOM 449 CA GLY A 156 10.401 -3.518 1.613 1.00 0.00 C ATOM 450 C GLY A 156 9.425 -2.394 1.337 1.00 0.00 C ATOM 451 O GLY A 156 8.723 -1.946 2.244 1.00 0.00 O ATOM 0 H GLY A 156 11.409 -4.340 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.866 -4.467 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.823 -3.391 2.610 1.00 0.00 H new ATOM 455 N VAL A 157 9.377 -1.923 0.092 1.00 0.00 N ATOM 456 CA VAL A 157 8.476 -0.838 -0.259 1.00 0.00 C ATOM 457 C VAL A 157 7.102 -1.370 -0.634 1.00 0.00 C ATOM 458 O VAL A 157 6.973 -2.202 -1.532 1.00 0.00 O ATOM 459 CB VAL A 157 9.023 0.044 -1.422 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.506 -0.177 -1.647 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.265 -0.191 -2.725 1.00 0.00 C ATOM 0 H VAL A 157 9.946 -2.273 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 157 8.397 -0.211 0.629 1.00 0.00 H new ATOM 0 HB VAL A 157 8.867 1.078 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.848 0.456 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.053 0.076 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.684 -1.223 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.680 0.444 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.361 -1.237 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.212 0.051 -2.582 1.00 0.00 H new ATOM 471 N ILE A 158 6.066 -0.873 0.032 1.00 0.00 N ATOM 472 CA ILE A 158 4.717 -1.299 -0.288 1.00 0.00 C ATOM 473 C ILE A 158 4.392 -0.860 -1.703 1.00 0.00 C ATOM 474 O ILE A 158 4.297 0.331 -1.991 1.00 0.00 O ATOM 475 CB ILE A 158 3.674 -0.741 0.699 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.752 0.781 0.788 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.868 -1.356 2.074 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.454 1.406 1.238 1.00 0.00 C ATOM 0 H ILE A 158 6.135 -0.187 0.783 1.00 0.00 H new ATOM 0 HA ILE A 158 4.672 -2.385 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 158 2.685 -1.007 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.545 1.060 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 158 4.026 1.184 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.124 -0.953 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.752 -2.438 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.867 -1.119 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.568 2.489 1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.664 1.153 0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.191 1.027 2.226 1.00 0.00 H new ATOM 490 N THR A 159 4.271 -1.824 -2.599 1.00 0.00 N ATOM 491 CA THR A 159 4.009 -1.518 -3.993 1.00 0.00 C ATOM 492 C THR A 159 2.565 -1.100 -4.208 1.00 0.00 C ATOM 493 O THR A 159 1.680 -1.423 -3.418 1.00 0.00 O ATOM 494 CB THR A 159 4.366 -2.711 -4.874 1.00 0.00 C ATOM 495 OG1 THR A 159 3.590 -3.844 -4.531 1.00 0.00 O ATOM 496 CG2 THR A 159 5.826 -3.099 -4.766 1.00 0.00 C ATOM 0 H THR A 159 4.349 -2.819 -2.388 1.00 0.00 H new ATOM 0 HA THR A 159 4.639 -0.675 -4.277 1.00 0.00 H new ATOM 0 HB THR A 159 4.158 -2.396 -5.896 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.076 -4.387 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.024 -3.953 -5.414 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.449 -2.259 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.057 -3.365 -3.734 1.00 0.00 H new ATOM 504 N VAL A 160 2.342 -0.361 -5.281 1.00 0.00 N ATOM 505 CA VAL A 160 1.010 0.127 -5.607 1.00 0.00 C ATOM 506 C VAL A 160 0.009 -1.016 -5.674 1.00 0.00 C ATOM 507 O VAL A 160 -1.110 -0.910 -5.173 1.00 0.00 O ATOM 508 CB VAL A 160 0.978 0.901 -6.939 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.084 2.105 -6.785 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.370 1.330 -7.383 1.00 0.00 C ATOM 0 H VAL A 160 3.067 -0.084 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 160 0.733 0.812 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 160 0.587 0.239 -7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.055 2.659 -7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.923 1.779 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.473 2.748 -5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.300 1.872 -8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.811 1.977 -6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 160 2.997 0.448 -7.517 1.00 0.00 H new ATOM 520 N GLU A 161 0.430 -2.110 -6.285 1.00 0.00 N ATOM 521 CA GLU A 161 -0.415 -3.287 -6.410 1.00 0.00 C ATOM 522 C GLU A 161 -0.719 -3.861 -5.034 1.00 0.00 C ATOM 523 O GLU A 161 -1.755 -4.494 -4.825 1.00 0.00 O ATOM 524 CB GLU A 161 0.272 -4.346 -7.279 1.00 0.00 C ATOM 525 CG GLU A 161 -0.091 -4.254 -8.752 1.00 0.00 C ATOM 526 CD GLU A 161 0.666 -5.256 -9.601 1.00 0.00 C ATOM 527 OE1 GLU A 161 1.912 -5.289 -9.510 1.00 0.00 O ATOM 528 OE2 GLU A 161 0.015 -6.006 -10.358 1.00 0.00 O ATOM 0 H GLU A 161 1.355 -2.209 -6.704 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.350 -2.995 -6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.352 -4.246 -7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 161 0.006 -5.336 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.162 -4.419 -8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 161 0.118 -3.247 -9.112 1.00 0.00 H new ATOM 535 N ASP A 162 0.198 -3.631 -4.099 1.00 0.00 N ATOM 536 CA ASP A 162 0.043 -4.118 -2.734 1.00 0.00 C ATOM 537 C ASP A 162 -1.052 -3.350 -2.004 1.00 0.00 C ATOM 538 O ASP A 162 -1.938 -3.942 -1.388 1.00 0.00 O ATOM 539 CB ASP A 162 1.363 -3.984 -1.968 1.00 0.00 C ATOM 540 CG ASP A 162 2.401 -5.003 -2.396 1.00 0.00 C ATOM 541 OD1 ASP A 162 2.010 -6.062 -2.929 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.608 -4.737 -2.197 1.00 0.00 O ATOM 0 H ASP A 162 1.059 -3.109 -4.263 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.240 -5.169 -2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.763 -2.981 -2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.171 -4.095 -0.901 1.00 0.00 H new ATOM 547 N VAL A 163 -0.980 -2.025 -2.073 1.00 0.00 N ATOM 548 CA VAL A 163 -1.967 -1.180 -1.409 1.00 0.00 C ATOM 549 C VAL A 163 -3.321 -1.272 -2.105 1.00 0.00 C ATOM 550 O VAL A 163 -4.357 -1.364 -1.450 1.00 0.00 O ATOM 551 CB VAL A 163 -1.554 0.312 -1.352 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.806 0.885 0.036 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.104 0.527 -1.759 1.00 0.00 C ATOM 0 H VAL A 163 -0.255 -1.516 -2.578 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.031 -1.558 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.174 0.842 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.510 1.934 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -2.866 0.803 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.223 0.329 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.136 1.589 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.549 -0.029 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.043 0.176 -2.780 1.00 0.00 H new ATOM 563 N LYS A 164 -3.307 -1.238 -3.434 1.00 0.00 N ATOM 564 CA LYS A 164 -4.540 -1.311 -4.207 1.00 0.00 C ATOM 565 C LYS A 164 -5.282 -2.613 -3.925 1.00 0.00 C ATOM 566 O LYS A 164 -6.481 -2.609 -3.649 1.00 0.00 O ATOM 567 CB LYS A 164 -4.236 -1.153 -5.704 1.00 0.00 C ATOM 568 CG LYS A 164 -4.388 -2.428 -6.516 1.00 0.00 C ATOM 569 CD LYS A 164 -4.251 -2.159 -8.008 1.00 0.00 C ATOM 570 CE LYS A 164 -3.276 -3.122 -8.669 1.00 0.00 C ATOM 571 NZ LYS A 164 -2.181 -2.404 -9.376 1.00 0.00 N ATOM 0 H LYS A 164 -2.459 -1.161 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.192 -0.492 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -4.898 -0.393 -6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -3.217 -0.784 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -3.634 -3.151 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -5.361 -2.876 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -5.228 -2.247 -8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -3.912 -1.135 -8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -2.849 -3.782 -7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -3.813 -3.753 -9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -1.768 -3.026 -10.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -2.563 -1.550 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -1.446 -2.133 -8.692 1.00 0.00 H new ATOM 585 N ARG A 165 -4.560 -3.722 -3.999 1.00 0.00 N ATOM 586 CA ARG A 165 -5.151 -5.033 -3.754 1.00 0.00 C ATOM 587 C ARG A 165 -5.663 -5.141 -2.319 1.00 0.00 C ATOM 588 O ARG A 165 -6.738 -5.689 -2.071 1.00 0.00 O ATOM 589 CB ARG A 165 -4.132 -6.143 -4.039 1.00 0.00 C ATOM 590 CG ARG A 165 -3.067 -6.299 -2.964 1.00 0.00 C ATOM 591 CD ARG A 165 -2.181 -7.506 -3.230 1.00 0.00 C ATOM 592 NE ARG A 165 -1.506 -7.966 -2.017 1.00 0.00 N ATOM 593 CZ ARG A 165 -0.995 -9.186 -1.870 1.00 0.00 C ATOM 594 NH1 ARG A 165 -1.075 -10.071 -2.856 1.00 0.00 N ATOM 595 NH2 ARG A 165 -0.401 -9.522 -0.733 1.00 0.00 N ATOM 0 H ARG A 165 -3.566 -3.742 -4.226 1.00 0.00 H new ATOM 0 HA ARG A 165 -5.998 -5.153 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -4.662 -7.089 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -3.644 -5.938 -4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -2.454 -5.398 -2.923 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -3.544 -6.404 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -2.785 -8.316 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -1.437 -7.251 -3.985 1.00 0.00 H new ATOM 0 HE ARG A 165 -1.422 -7.313 -1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -1.530 -9.818 -3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -0.681 -11.004 -2.737 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -0.336 -8.846 0.028 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -0.009 -10.457 -0.619 1.00 0.00 H new ATOM 609 N TRP A 166 -4.882 -4.621 -1.378 1.00 0.00 N ATOM 610 CA TRP A 166 -5.251 -4.666 0.032 1.00 0.00 C ATOM 611 C TRP A 166 -6.471 -3.794 0.322 1.00 0.00 C ATOM 612 O TRP A 166 -7.412 -4.232 0.983 1.00 0.00 O ATOM 613 CB TRP A 166 -4.076 -4.216 0.900 1.00 0.00 C ATOM 614 CG TRP A 166 -4.105 -4.799 2.278 1.00 0.00 C ATOM 615 CD1 TRP A 166 -5.075 -4.618 3.222 1.00 0.00 C ATOM 616 CD2 TRP A 166 -3.124 -5.657 2.869 1.00 0.00 C ATOM 617 NE1 TRP A 166 -4.758 -5.315 4.363 1.00 0.00 N ATOM 618 CE2 TRP A 166 -3.564 -5.960 4.171 1.00 0.00 C ATOM 619 CE3 TRP A 166 -1.916 -6.201 2.422 1.00 0.00 C ATOM 620 CZ2 TRP A 166 -2.838 -6.781 5.030 1.00 0.00 C ATOM 621 CZ3 TRP A 166 -1.196 -7.015 3.277 1.00 0.00 C ATOM 622 CH2 TRP A 166 -1.660 -7.299 4.567 1.00 0.00 C ATOM 0 H TRP A 166 -3.990 -4.164 -1.566 1.00 0.00 H new ATOM 0 HA TRP A 166 -5.508 -5.698 0.273 1.00 0.00 H new ATOM 0 HB2 TRP A 166 -3.143 -4.499 0.412 1.00 0.00 H new ATOM 0 HB3 TRP A 166 -4.081 -3.128 0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 166 -5.962 -4.015 3.091 1.00 0.00 H new ATOM 0 HE1 TRP A 166 -5.320 -5.347 5.214 1.00 0.00 H new ATOM 0 HE3 TRP A 166 -1.552 -5.989 1.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 -3.192 -7.001 6.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.260 -7.439 2.944 1.00 0.00 H new ATOM 0 HH2 TRP A 166 -1.076 -7.940 5.210 1.00 0.00 H new ATOM 633 N ALA A 167 -6.447 -2.559 -0.166 1.00 0.00 N ATOM 634 CA ALA A 167 -7.546 -1.628 0.054 1.00 0.00 C ATOM 635 C ALA A 167 -8.796 -2.051 -0.713 1.00 0.00 C ATOM 636 O ALA A 167 -9.902 -2.019 -0.175 1.00 0.00 O ATOM 637 CB ALA A 167 -7.129 -0.221 -0.342 1.00 0.00 C ATOM 0 H ALA A 167 -5.677 -2.179 -0.717 1.00 0.00 H new ATOM 0 HA ALA A 167 -7.790 -1.639 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -7.959 0.465 -0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -6.274 0.088 0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -6.855 -0.206 -1.397 1.00 0.00 H new ATOM 643 N GLU A 168 -8.618 -2.443 -1.970 1.00 0.00 N ATOM 644 CA GLU A 168 -9.741 -2.868 -2.797 1.00 0.00 C ATOM 645 C GLU A 168 -10.427 -4.089 -2.194 1.00 0.00 C ATOM 646 O GLU A 168 -11.654 -4.187 -2.191 1.00 0.00 O ATOM 647 CB GLU A 168 -9.270 -3.173 -4.225 1.00 0.00 C ATOM 648 CG GLU A 168 -8.529 -4.494 -4.361 1.00 0.00 C ATOM 649 CD GLU A 168 -8.033 -4.744 -5.773 1.00 0.00 C ATOM 650 OE1 GLU A 168 -8.243 -3.872 -6.640 1.00 0.00 O ATOM 651 OE2 GLU A 168 -7.436 -5.816 -6.010 1.00 0.00 O ATOM 0 H GLU A 168 -7.711 -2.475 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 168 -10.463 -2.053 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -10.135 -3.183 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -8.619 -2.366 -4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -7.681 -4.503 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -9.189 -5.309 -4.062 1.00 0.00 H new ATOM 658 N GLU A 169 -9.623 -5.015 -1.681 1.00 0.00 N ATOM 659 CA GLU A 169 -10.149 -6.232 -1.070 1.00 0.00 C ATOM 660 C GLU A 169 -11.106 -5.901 0.072 1.00 0.00 C ATOM 661 O GLU A 169 -12.029 -6.663 0.361 1.00 0.00 O ATOM 662 CB GLU A 169 -9.001 -7.102 -0.554 1.00 0.00 C ATOM 663 CG GLU A 169 -8.552 -8.167 -1.542 1.00 0.00 C ATOM 664 CD GLU A 169 -7.526 -9.114 -0.951 1.00 0.00 C ATOM 665 OE1 GLU A 169 -6.687 -8.654 -0.148 1.00 0.00 O ATOM 666 OE2 GLU A 169 -7.562 -10.315 -1.290 1.00 0.00 O ATOM 0 H GLU A 169 -8.605 -4.946 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 169 -10.701 -6.782 -1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -8.152 -6.462 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -9.311 -7.585 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -9.419 -8.738 -1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -8.131 -7.685 -2.424 1.00 0.00 H new ATOM 673 N THR A 170 -10.878 -4.763 0.719 1.00 0.00 N ATOM 674 CA THR A 170 -11.718 -4.331 1.827 1.00 0.00 C ATOM 675 C THR A 170 -13.125 -4.004 1.342 1.00 0.00 C ATOM 676 O THR A 170 -14.111 -4.510 1.877 1.00 0.00 O ATOM 677 CB THR A 170 -11.103 -3.110 2.512 1.00 0.00 C ATOM 678 OG1 THR A 170 -11.404 -1.926 1.795 1.00 0.00 O ATOM 679 CG2 THR A 170 -9.597 -3.191 2.653 1.00 0.00 C ATOM 0 H THR A 170 -10.117 -4.123 0.494 1.00 0.00 H new ATOM 0 HA THR A 170 -11.782 -5.147 2.546 1.00 0.00 H new ATOM 0 HB THR A 170 -11.543 -3.091 3.509 1.00 0.00 H new ATOM 0 HG1 THR A 170 -10.700 -1.756 1.135 1.00 0.00 H new ATOM 0 HG21 THR A 170 -9.229 -2.292 3.147 1.00 0.00 H new ATOM 0 HG22 THR A 170 -9.334 -4.066 3.248 1.00 0.00 H new ATOM 0 HG23 THR A 170 -9.143 -3.274 1.666 1.00 0.00 H new ATOM 687 N ALA A 171 -13.210 -3.159 0.319 1.00 0.00 N ATOM 688 CA ALA A 171 -14.496 -2.771 -0.245 1.00 0.00 C ATOM 689 C ALA A 171 -15.084 -3.904 -1.079 1.00 0.00 C ATOM 690 O ALA A 171 -16.302 -4.011 -1.228 1.00 0.00 O ATOM 691 CB ALA A 171 -14.344 -1.514 -1.089 1.00 0.00 C ATOM 0 H ALA A 171 -12.403 -2.731 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 171 -15.182 -2.560 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -15.312 -1.235 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -13.968 -0.701 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -13.642 -1.704 -1.901 1.00 0.00 H new ATOM 697 N LYS A 172 -14.210 -4.746 -1.619 1.00 0.00 N ATOM 698 CA LYS A 172 -14.637 -5.876 -2.436 1.00 0.00 C ATOM 699 C LYS A 172 -15.403 -6.893 -1.599 1.00 0.00 C ATOM 700 O LYS A 172 -16.345 -7.525 -2.077 1.00 0.00 O ATOM 701 CB LYS A 172 -13.422 -6.540 -3.090 1.00 0.00 C ATOM 702 CG LYS A 172 -13.279 -6.224 -4.571 1.00 0.00 C ATOM 703 CD LYS A 172 -13.254 -4.724 -4.825 1.00 0.00 C ATOM 704 CE LYS A 172 -14.350 -4.302 -5.790 1.00 0.00 C ATOM 705 NZ LYS A 172 -13.903 -4.383 -7.209 1.00 0.00 N ATOM 0 H LYS A 172 -13.199 -4.667 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 172 -15.303 -5.504 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -12.519 -6.219 -2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -13.496 -7.620 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -12.362 -6.673 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -14.106 -6.673 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -13.375 -4.192 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -12.283 -4.439 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -15.224 -4.938 -5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -14.659 -3.281 -5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -14.679 -4.087 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -13.085 -3.757 -7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -13.632 -5.362 -7.432 1.00 0.00 H new ATOM 719 N ALA A 173 -14.990 -7.048 -0.345 1.00 0.00 N ATOM 720 CA ALA A 173 -15.636 -7.990 0.561 1.00 0.00 C ATOM 721 C ALA A 173 -16.896 -7.387 1.172 1.00 0.00 C ATOM 722 O ALA A 173 -16.839 -6.713 2.201 1.00 0.00 O ATOM 723 CB ALA A 173 -14.669 -8.414 1.656 1.00 0.00 C ATOM 0 H ALA A 173 -14.211 -6.533 0.066 1.00 0.00 H new ATOM 0 HA ALA A 173 -15.927 -8.869 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -15.164 -9.117 2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -13.798 -8.891 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -14.352 -7.537 2.221 1.00 0.00 H new ATOM 729 N THR A 174 -18.034 -7.636 0.531 1.00 0.00 N ATOM 730 CA THR A 174 -19.310 -7.118 1.012 1.00 0.00 C ATOM 731 C THR A 174 -19.985 -8.116 1.946 1.00 0.00 C ATOM 732 O THR A 174 -19.565 -9.270 2.046 1.00 0.00 O ATOM 733 CB THR A 174 -20.232 -6.800 -0.167 1.00 0.00 C ATOM 734 OG1 THR A 174 -20.076 -7.760 -1.198 1.00 0.00 O ATOM 735 CG2 THR A 174 -19.983 -5.435 -0.771 1.00 0.00 C ATOM 0 H THR A 174 -18.098 -8.192 -0.321 1.00 0.00 H new ATOM 0 HA THR A 174 -19.115 -6.202 1.569 1.00 0.00 H new ATOM 0 HB THR A 174 -21.242 -6.819 0.243 1.00 0.00 H new ATOM 0 HG1 THR A 174 -20.675 -7.541 -1.942 1.00 0.00 H new ATOM 0 HG21 THR A 174 -20.670 -5.274 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 174 -20.143 -4.667 -0.014 1.00 0.00 H new ATOM 0 HG23 THR A 174 -18.957 -5.379 -1.133 1.00 0.00 H new ATOM 743 N ALA A 175 -21.032 -7.666 2.628 1.00 0.00 N ATOM 744 CA ALA A 175 -21.766 -8.520 3.554 1.00 0.00 C ATOM 745 C ALA A 175 -22.766 -9.401 2.813 1.00 0.00 C ATOM 746 O ALA A 175 -23.726 -9.875 3.456 1.00 0.00 O ATOM 747 CB ALA A 175 -22.477 -7.675 4.600 1.00 0.00 C ATOM 748 OXT ALA A 175 -22.582 -9.608 1.595 1.00 0.00 O ATOM 0 H ALA A 175 -21.392 -6.714 2.557 1.00 0.00 H new ATOM 0 HA ALA A 175 -21.050 -9.171 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -23.021 -8.326 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -21.743 -7.093 5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -23.177 -7.000 4.108 1.00 0.00 H new TER 754 ALA A 175