USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl -150:sc= -0.273 (180deg=-1.41!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -163:sc= -0.0142 (180deg=-0.181) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 7.408 14.870 11.462 1.00 0.00 N ATOM 2 CA ASN A 126 6.439 13.968 10.786 1.00 0.00 C ATOM 3 C ASN A 126 7.132 12.723 10.240 1.00 0.00 C ATOM 4 O ASN A 126 8.139 12.819 9.540 1.00 0.00 O ATOM 5 CB ASN A 126 5.765 14.740 9.650 1.00 0.00 C ATOM 6 CG ASN A 126 4.439 15.344 10.068 1.00 0.00 C ATOM 7 OD1 ASN A 126 3.374 14.836 9.717 1.00 0.00 O ATOM 8 ND2 ASN A 126 4.498 16.436 10.821 1.00 0.00 N ATOM 0 HA ASN A 126 5.694 13.637 11.509 1.00 0.00 H new ATOM 0 HB2 ASN A 126 6.431 15.533 9.308 1.00 0.00 H new ATOM 0 HB3 ASN A 126 5.606 14.071 8.804 1.00 0.00 H new ATOM 0 HD21 ASN A 126 3.638 16.888 11.132 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.403 16.823 11.088 1.00 0.00 H new ATOM 17 N ARG A 127 6.584 11.557 10.567 1.00 0.00 N ATOM 18 CA ARG A 127 7.149 10.293 10.109 1.00 0.00 C ATOM 19 C ARG A 127 6.046 9.333 9.669 1.00 0.00 C ATOM 20 O ARG A 127 5.583 8.504 10.451 1.00 0.00 O ATOM 21 CB ARG A 127 7.990 9.656 11.217 1.00 0.00 C ATOM 22 CG ARG A 127 9.458 9.501 10.853 1.00 0.00 C ATOM 23 CD ARG A 127 10.125 8.404 11.669 1.00 0.00 C ATOM 24 NE ARG A 127 10.835 7.448 10.823 1.00 0.00 N ATOM 25 CZ ARG A 127 10.234 6.482 10.131 1.00 0.00 C ATOM 26 NH1 ARG A 127 8.915 6.342 10.180 1.00 0.00 N ATOM 27 NH2 ARG A 127 10.955 5.655 9.387 1.00 0.00 N ATOM 0 H ARG A 127 5.750 11.461 11.147 1.00 0.00 H new ATOM 0 HA ARG A 127 7.790 10.497 9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 127 7.910 10.264 12.118 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.578 8.676 11.457 1.00 0.00 H new ATOM 0 HG2 ARG A 127 9.548 9.271 9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 127 9.976 10.445 11.020 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.824 8.852 12.376 1.00 0.00 H new ATOM 0 HD3 ARG A 127 9.371 7.879 12.256 1.00 0.00 H new ATOM 0 HE ARG A 127 11.850 7.525 10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 127 8.356 6.976 10.750 1.00 0.00 H new ATOM 0 HH12 ARG A 127 8.461 5.600 9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 127 11.969 5.759 9.345 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.496 4.915 8.856 1.00 0.00 H new ATOM 41 N ARG A 128 5.631 9.453 8.412 1.00 0.00 N ATOM 42 CA ARG A 128 4.583 8.598 7.866 1.00 0.00 C ATOM 43 C ARG A 128 5.180 7.459 7.047 1.00 0.00 C ATOM 44 O ARG A 128 6.344 7.511 6.650 1.00 0.00 O ATOM 45 CB ARG A 128 3.626 9.419 7.000 1.00 0.00 C ATOM 46 CG ARG A 128 4.294 10.052 5.790 1.00 0.00 C ATOM 47 CD ARG A 128 4.217 11.571 5.836 1.00 0.00 C ATOM 48 NE ARG A 128 4.501 12.174 4.537 1.00 0.00 N ATOM 49 CZ ARG A 128 3.617 12.245 3.544 1.00 0.00 C ATOM 50 NH1 ARG A 128 2.394 11.752 3.697 1.00 0.00 N ATOM 51 NH2 ARG A 128 3.956 12.812 2.394 1.00 0.00 N ATOM 0 H ARG A 128 6.005 10.135 7.752 1.00 0.00 H new ATOM 0 HA ARG A 128 4.029 8.168 8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.813 8.777 6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.179 10.204 7.610 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.338 9.742 5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 128 3.816 9.691 4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 128 3.223 11.874 6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 128 4.926 11.948 6.573 1.00 0.00 H new ATOM 0 HE ARG A 128 5.431 12.564 4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 128 2.127 11.316 4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 128 1.722 11.810 2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 128 4.894 13.194 2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 128 3.279 12.866 1.633 1.00 0.00 H new ATOM 65 N VAL A 129 4.375 6.431 6.796 1.00 0.00 N ATOM 66 CA VAL A 129 4.824 5.280 6.022 1.00 0.00 C ATOM 67 C VAL A 129 5.255 5.696 4.620 1.00 0.00 C ATOM 68 O VAL A 129 4.864 6.756 4.128 1.00 0.00 O ATOM 69 CB VAL A 129 3.721 4.210 5.913 1.00 0.00 C ATOM 70 CG1 VAL A 129 4.274 2.935 5.293 1.00 0.00 C ATOM 71 CG2 VAL A 129 3.111 3.929 7.278 1.00 0.00 C ATOM 0 H VAL A 129 3.409 6.372 7.118 1.00 0.00 H new ATOM 0 HA VAL A 129 5.678 4.856 6.551 1.00 0.00 H new ATOM 0 HB VAL A 129 2.934 4.591 5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 129 3.481 2.190 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 129 4.656 3.152 4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.081 2.548 5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.334 3.171 7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.885 3.570 7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.676 4.845 7.678 1.00 0.00 H new ATOM 81 N ILE A 130 6.062 4.856 3.980 1.00 0.00 N ATOM 82 CA ILE A 130 6.546 5.138 2.634 1.00 0.00 C ATOM 83 C ILE A 130 5.634 4.521 1.579 1.00 0.00 C ATOM 84 O ILE A 130 5.523 3.299 1.479 1.00 0.00 O ATOM 85 CB ILE A 130 7.979 4.608 2.430 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.866 4.991 3.617 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.561 5.145 1.130 1.00 0.00 C ATOM 88 CD1 ILE A 130 9.104 3.853 4.585 1.00 0.00 C ATOM 0 H ILE A 130 6.394 3.975 4.372 1.00 0.00 H new ATOM 0 HA ILE A 130 6.546 6.222 2.520 1.00 0.00 H new ATOM 0 HB ILE A 130 7.942 3.520 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.826 5.346 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.405 5.822 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.573 4.762 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.941 4.824 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.586 6.234 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.740 4.196 5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.150 3.512 4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.593 3.029 4.065 1.00 0.00 H new ATOM 100 N ALA A 131 4.985 5.374 0.793 1.00 0.00 N ATOM 101 CA ALA A 131 4.084 4.914 -0.257 1.00 0.00 C ATOM 102 C ALA A 131 3.668 6.064 -1.166 1.00 0.00 C ATOM 103 O ALA A 131 3.638 7.221 -0.745 1.00 0.00 O ATOM 104 CB ALA A 131 2.859 4.249 0.353 1.00 0.00 C ATOM 0 H ALA A 131 5.067 6.388 0.864 1.00 0.00 H new ATOM 0 HA ALA A 131 4.616 4.182 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.195 3.910 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.170 3.395 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.333 4.965 0.985 1.00 0.00 H new ATOM 110 N MET A 132 3.352 5.741 -2.416 1.00 0.00 N ATOM 111 CA MET A 132 2.940 6.749 -3.386 1.00 0.00 C ATOM 112 C MET A 132 1.464 7.102 -3.217 1.00 0.00 C ATOM 113 O MET A 132 0.674 6.290 -2.733 1.00 0.00 O ATOM 114 CB MET A 132 3.199 6.250 -4.810 1.00 0.00 C ATOM 115 CG MET A 132 4.408 6.895 -5.469 1.00 0.00 C ATOM 116 SD MET A 132 5.961 6.422 -4.687 1.00 0.00 S ATOM 117 CE MET A 132 6.238 7.826 -3.610 1.00 0.00 C ATOM 0 H MET A 132 3.373 4.789 -2.781 1.00 0.00 H new ATOM 0 HA MET A 132 3.529 7.649 -3.209 1.00 0.00 H new ATOM 0 HB2 MET A 132 3.341 5.170 -4.788 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.317 6.443 -5.420 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.436 6.614 -6.522 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.302 7.979 -5.431 1.00 0.00 H new ATOM 0 HE1 MET A 132 7.309 7.976 -3.475 1.00 0.00 H new ATOM 0 HE2 MET A 132 5.800 8.719 -4.056 1.00 0.00 H new ATOM 0 HE3 MET A 132 5.773 7.639 -2.642 1.00 0.00 H new ATOM 127 N PRO A 133 1.070 8.323 -3.620 1.00 0.00 N ATOM 128 CA PRO A 133 -0.319 8.779 -3.513 1.00 0.00 C ATOM 129 C PRO A 133 -1.295 7.810 -4.169 1.00 0.00 C ATOM 130 O PRO A 133 -2.426 7.647 -3.713 1.00 0.00 O ATOM 131 CB PRO A 133 -0.315 10.118 -4.256 1.00 0.00 C ATOM 132 CG PRO A 133 1.096 10.589 -4.182 1.00 0.00 C ATOM 133 CD PRO A 133 1.948 9.350 -4.210 1.00 0.00 C ATOM 0 HA PRO A 133 -0.644 8.855 -2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.638 9.998 -5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.995 10.831 -3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 133 1.333 11.245 -5.020 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.269 11.161 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.246 9.089 -5.226 1.00 0.00 H new ATOM 0 HD3 PRO A 133 2.863 9.478 -3.632 1.00 0.00 H new ATOM 141 N SER A 134 -0.847 7.165 -5.242 1.00 0.00 N ATOM 142 CA SER A 134 -1.680 6.207 -5.960 1.00 0.00 C ATOM 143 C SER A 134 -2.017 5.013 -5.074 1.00 0.00 C ATOM 144 O SER A 134 -3.120 4.472 -5.136 1.00 0.00 O ATOM 145 CB SER A 134 -0.969 5.731 -7.229 1.00 0.00 C ATOM 146 OG SER A 134 -1.138 6.659 -8.286 1.00 0.00 O ATOM 0 H SER A 134 0.087 7.288 -5.633 1.00 0.00 H new ATOM 0 HA SER A 134 -2.608 6.705 -6.238 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.093 5.596 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.362 4.759 -7.527 1.00 0.00 H new ATOM 0 HG SER A 134 -0.673 6.333 -9.085 1.00 0.00 H new ATOM 152 N VAL A 135 -1.057 4.612 -4.246 1.00 0.00 N ATOM 153 CA VAL A 135 -1.250 3.485 -3.342 1.00 0.00 C ATOM 154 C VAL A 135 -2.154 3.870 -2.182 1.00 0.00 C ATOM 155 O VAL A 135 -3.113 3.165 -1.868 1.00 0.00 O ATOM 156 CB VAL A 135 0.095 2.968 -2.801 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.110 1.790 -1.860 1.00 0.00 C ATOM 158 CG2 VAL A 135 1.004 2.582 -3.955 1.00 0.00 C ATOM 0 H VAL A 135 -0.138 5.051 -4.183 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.725 2.687 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 135 0.569 3.768 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.857 1.445 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.728 2.100 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.605 0.979 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.954 2.217 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.530 1.798 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.182 3.453 -4.585 1.00 0.00 H new ATOM 168 N ARG A 136 -1.852 5.001 -1.556 1.00 0.00 N ATOM 169 CA ARG A 136 -2.653 5.485 -0.439 1.00 0.00 C ATOM 170 C ARG A 136 -4.100 5.652 -0.876 1.00 0.00 C ATOM 171 O ARG A 136 -5.025 5.201 -0.200 1.00 0.00 O ATOM 172 CB ARG A 136 -2.102 6.813 0.079 1.00 0.00 C ATOM 173 CG ARG A 136 -1.046 6.650 1.158 1.00 0.00 C ATOM 174 CD ARG A 136 -1.651 6.736 2.552 1.00 0.00 C ATOM 175 NE ARG A 136 -0.944 7.697 3.395 1.00 0.00 N ATOM 176 CZ ARG A 136 -1.111 9.015 3.320 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.961 9.533 2.441 1.00 0.00 N ATOM 178 NH2 ARG A 136 -0.428 9.818 4.123 1.00 0.00 N ATOM 0 H ARG A 136 -1.062 5.598 -1.801 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.606 4.754 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.675 7.370 -0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.924 7.410 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.546 5.689 1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.285 7.422 1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.700 7.023 2.475 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.623 5.752 3.021 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.283 7.336 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.489 8.920 1.820 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -2.086 10.544 2.387 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.227 9.426 4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.557 10.828 4.064 1.00 0.00 H new ATOM 192 N LYS A 137 -4.282 6.285 -2.029 1.00 0.00 N ATOM 193 CA LYS A 137 -5.611 6.494 -2.582 1.00 0.00 C ATOM 194 C LYS A 137 -6.272 5.147 -2.857 1.00 0.00 C ATOM 195 O LYS A 137 -7.453 4.949 -2.571 1.00 0.00 O ATOM 196 CB LYS A 137 -5.525 7.324 -3.870 1.00 0.00 C ATOM 197 CG LYS A 137 -6.734 7.181 -4.783 1.00 0.00 C ATOM 198 CD LYS A 137 -8.009 7.642 -4.097 1.00 0.00 C ATOM 199 CE LYS A 137 -9.057 8.084 -5.105 1.00 0.00 C ATOM 200 NZ LYS A 137 -8.695 9.375 -5.756 1.00 0.00 N ATOM 0 H LYS A 137 -3.524 6.662 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.216 7.042 -1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.405 8.375 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.631 7.030 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.577 7.764 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -6.840 6.140 -5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -8.408 6.832 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -7.782 8.467 -3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -9.175 7.314 -5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -10.020 8.187 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -9.538 9.785 -6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -8.330 10.035 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -7.964 9.207 -6.477 1.00 0.00 H new ATOM 214 N TRP A 138 -5.489 4.217 -3.402 1.00 0.00 N ATOM 215 CA TRP A 138 -5.984 2.883 -3.704 1.00 0.00 C ATOM 216 C TRP A 138 -6.487 2.210 -2.433 1.00 0.00 C ATOM 217 O TRP A 138 -7.598 1.681 -2.391 1.00 0.00 O ATOM 218 CB TRP A 138 -4.871 2.057 -4.357 1.00 0.00 C ATOM 219 CG TRP A 138 -5.165 0.592 -4.440 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.520 -0.405 -3.773 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.172 -0.037 -5.237 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.063 -1.623 -4.108 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.081 -1.423 -5.004 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.143 0.435 -6.125 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -6.923 -2.340 -5.628 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -7.978 -0.476 -6.742 1.00 0.00 C ATOM 227 CH2 TRP A 138 -7.865 -1.849 -6.491 1.00 0.00 C ATOM 0 H TRP A 138 -4.509 4.367 -3.642 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.819 2.955 -4.401 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.693 2.438 -5.362 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -3.949 2.200 -3.794 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.702 -0.260 -3.083 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -4.758 -2.528 -3.749 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.238 1.492 -6.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -6.836 -3.400 -5.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.732 -0.123 -7.430 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.535 -2.535 -6.989 1.00 0.00 H new ATOM 238 N ALA A 139 -5.667 2.256 -1.391 1.00 0.00 N ATOM 239 CA ALA A 139 -6.031 1.674 -0.111 1.00 0.00 C ATOM 240 C ALA A 139 -7.278 2.356 0.436 1.00 0.00 C ATOM 241 O ALA A 139 -8.239 1.698 0.825 1.00 0.00 O ATOM 242 CB ALA A 139 -4.875 1.802 0.871 1.00 0.00 C ATOM 0 H ALA A 139 -4.745 2.691 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.248 0.615 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.159 1.362 1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.003 1.280 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.634 2.855 1.014 1.00 0.00 H new ATOM 248 N ARG A 140 -7.259 3.685 0.447 1.00 0.00 N ATOM 249 CA ARG A 140 -8.392 4.463 0.935 1.00 0.00 C ATOM 250 C ARG A 140 -9.675 4.067 0.210 1.00 0.00 C ATOM 251 O ARG A 140 -10.766 4.138 0.776 1.00 0.00 O ATOM 252 CB ARG A 140 -8.127 5.958 0.748 1.00 0.00 C ATOM 253 CG ARG A 140 -9.229 6.845 1.303 1.00 0.00 C ATOM 254 CD ARG A 140 -8.884 7.357 2.693 1.00 0.00 C ATOM 255 NE ARG A 140 -10.060 7.860 3.399 1.00 0.00 N ATOM 256 CZ ARG A 140 -11.058 7.087 3.821 1.00 0.00 C ATOM 257 NH1 ARG A 140 -11.026 5.777 3.611 1.00 0.00 N ATOM 258 NH2 ARG A 140 -12.090 7.625 4.456 1.00 0.00 N ATOM 0 H ARG A 140 -6.471 4.246 0.123 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.517 4.253 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.186 6.215 1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.005 6.167 -0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.391 7.689 0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -10.164 6.285 1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -8.429 6.554 3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -8.142 8.151 2.613 1.00 0.00 H new ATOM 0 HE ARG A 140 -10.120 8.862 3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -10.234 5.358 3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -11.794 5.189 3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -12.119 8.631 4.621 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -12.855 7.033 4.779 1.00 0.00 H new ATOM 272 N GLU A 141 -9.537 3.651 -1.047 1.00 0.00 N ATOM 273 CA GLU A 141 -10.688 3.245 -1.845 1.00 0.00 C ATOM 274 C GLU A 141 -11.124 1.824 -1.496 1.00 0.00 C ATOM 275 O GLU A 141 -12.309 1.495 -1.561 1.00 0.00 O ATOM 276 CB GLU A 141 -10.359 3.338 -3.336 1.00 0.00 C ATOM 277 CG GLU A 141 -10.655 4.702 -3.940 1.00 0.00 C ATOM 278 CD GLU A 141 -10.648 4.682 -5.456 1.00 0.00 C ATOM 279 OE1 GLU A 141 -9.642 4.225 -6.039 1.00 0.00 O ATOM 280 OE2 GLU A 141 -11.648 5.122 -6.060 1.00 0.00 O ATOM 0 H GLU A 141 -8.642 3.587 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.511 3.922 -1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.304 3.106 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -10.929 2.580 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -11.628 5.047 -3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.915 5.420 -3.586 1.00 0.00 H new ATOM 287 N LYS A 142 -10.160 0.985 -1.127 1.00 0.00 N ATOM 288 CA LYS A 142 -10.449 -0.402 -0.772 1.00 0.00 C ATOM 289 C LYS A 142 -10.692 -0.563 0.730 1.00 0.00 C ATOM 290 O LYS A 142 -10.991 -1.661 1.200 1.00 0.00 O ATOM 291 CB LYS A 142 -9.297 -1.309 -1.212 1.00 0.00 C ATOM 292 CG LYS A 142 -9.528 -1.976 -2.558 1.00 0.00 C ATOM 293 CD LYS A 142 -9.733 -0.950 -3.663 1.00 0.00 C ATOM 294 CE LYS A 142 -11.049 -1.168 -4.393 1.00 0.00 C ATOM 295 NZ LYS A 142 -11.732 0.117 -4.702 1.00 0.00 N ATOM 0 H LYS A 142 -9.174 1.240 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.362 -0.692 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.380 -0.721 -1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -9.143 -2.079 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.675 -2.609 -2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -10.401 -2.626 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -9.715 0.053 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -8.908 -1.010 -4.373 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.865 -1.713 -5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -11.704 -1.790 -3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -12.625 -0.075 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -11.931 0.626 -3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -11.118 0.700 -5.306 1.00 0.00 H new ATOM 309 N GLY A 143 -10.556 0.527 1.481 1.00 0.00 N ATOM 310 CA GLY A 143 -10.762 0.466 2.917 1.00 0.00 C ATOM 311 C GLY A 143 -9.510 0.046 3.666 1.00 0.00 C ATOM 312 O GLY A 143 -9.577 -0.341 4.833 1.00 0.00 O ATOM 0 H GLY A 143 -10.308 1.449 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.086 1.443 3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.566 -0.237 3.136 1.00 0.00 H new ATOM 316 N VAL A 144 -8.367 0.120 2.991 1.00 0.00 N ATOM 317 CA VAL A 144 -7.092 -0.255 3.590 1.00 0.00 C ATOM 318 C VAL A 144 -6.253 0.975 3.920 1.00 0.00 C ATOM 319 O VAL A 144 -6.278 1.970 3.195 1.00 0.00 O ATOM 320 CB VAL A 144 -6.283 -1.173 2.653 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.024 -1.669 3.350 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.136 -2.340 2.178 1.00 0.00 C ATOM 0 H VAL A 144 -8.299 0.438 2.024 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.322 -0.792 4.510 1.00 0.00 H new ATOM 0 HB VAL A 144 -5.983 -0.596 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.465 -2.316 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.405 -0.817 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.299 -2.229 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.547 -2.976 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.470 -2.920 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.003 -1.961 1.637 1.00 0.00 H new ATOM 332 N ASP A 145 -5.506 0.897 5.015 1.00 0.00 N ATOM 333 CA ASP A 145 -4.650 1.999 5.437 1.00 0.00 C ATOM 334 C ASP A 145 -3.180 1.648 5.225 1.00 0.00 C ATOM 335 O ASP A 145 -2.686 0.657 5.756 1.00 0.00 O ATOM 336 CB ASP A 145 -4.900 2.331 6.911 1.00 0.00 C ATOM 337 CG ASP A 145 -4.218 3.615 7.339 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.229 4.008 6.685 1.00 0.00 O ATOM 339 OD2 ASP A 145 -4.672 4.228 8.327 1.00 0.00 O ATOM 0 H ASP A 145 -5.476 0.082 5.627 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.892 2.872 4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -5.973 2.418 7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.543 1.509 7.531 1.00 0.00 H new ATOM 344 N ILE A 146 -2.484 2.464 4.443 1.00 0.00 N ATOM 345 CA ILE A 146 -1.071 2.227 4.164 1.00 0.00 C ATOM 346 C ILE A 146 -0.282 1.989 5.454 1.00 0.00 C ATOM 347 O ILE A 146 0.748 1.315 5.452 1.00 0.00 O ATOM 348 CB ILE A 146 -0.452 3.407 3.380 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.683 2.910 2.485 1.00 0.00 C ATOM 350 CG2 ILE A 146 0.046 4.497 4.322 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.201 2.302 1.185 1.00 0.00 C ATOM 0 H ILE A 146 -2.872 3.293 3.992 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.010 1.329 3.550 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.230 3.841 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.351 3.742 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.267 2.168 3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.476 5.312 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.787 4.874 4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.806 4.085 4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 146 1.058 1.970 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.444 1.450 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.359 3.048 0.620 1.00 0.00 H new ATOM 363 N ARG A 147 -0.776 2.555 6.552 1.00 0.00 N ATOM 364 CA ARG A 147 -0.123 2.419 7.852 1.00 0.00 C ATOM 365 C ARG A 147 -0.020 0.957 8.289 1.00 0.00 C ATOM 366 O ARG A 147 0.857 0.602 9.075 1.00 0.00 O ATOM 367 CB ARG A 147 -0.884 3.222 8.909 1.00 0.00 C ATOM 368 CG ARG A 147 -0.916 4.716 8.632 1.00 0.00 C ATOM 369 CD ARG A 147 0.207 5.441 9.356 1.00 0.00 C ATOM 370 NE ARG A 147 -0.162 6.812 9.705 1.00 0.00 N ATOM 371 CZ ARG A 147 -0.182 7.819 8.835 1.00 0.00 C ATOM 372 NH1 ARG A 147 0.142 7.614 7.565 1.00 0.00 N ATOM 373 NH2 ARG A 147 -0.530 9.034 9.237 1.00 0.00 N ATOM 0 H ARG A 147 -1.629 3.114 6.568 1.00 0.00 H new ATOM 0 HA ARG A 147 0.890 2.809 7.752 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.907 2.850 8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.425 3.051 9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.831 4.890 7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.876 5.125 8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.467 4.894 10.262 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.096 5.454 8.725 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.419 7.008 10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 147 0.408 6.681 7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 147 0.125 8.390 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.782 9.196 10.212 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.546 9.807 8.571 1.00 0.00 H new ATOM 387 N LEU A 148 -0.916 0.111 7.784 1.00 0.00 N ATOM 388 CA LEU A 148 -0.904 -1.307 8.145 1.00 0.00 C ATOM 389 C LEU A 148 -0.406 -2.169 6.991 1.00 0.00 C ATOM 390 O LEU A 148 -0.744 -3.347 6.900 1.00 0.00 O ATOM 391 CB LEU A 148 -2.296 -1.784 8.570 1.00 0.00 C ATOM 392 CG LEU A 148 -3.464 -1.152 7.816 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.647 -1.815 6.459 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.742 -1.257 8.629 1.00 0.00 C ATOM 0 H LEU A 148 -1.652 0.378 7.131 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.220 -1.414 8.987 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.346 -2.865 8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.421 -1.583 9.634 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.238 -0.097 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.484 -1.351 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.739 -1.693 5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.850 -2.877 6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.563 -0.801 8.076 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -4.969 -2.307 8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.613 -0.738 9.579 1.00 0.00 H new ATOM 406 N VAL A 149 0.393 -1.582 6.110 1.00 0.00 N ATOM 407 CA VAL A 149 0.920 -2.316 4.967 1.00 0.00 C ATOM 408 C VAL A 149 2.439 -2.214 4.891 1.00 0.00 C ATOM 409 O VAL A 149 2.989 -1.149 4.614 1.00 0.00 O ATOM 410 CB VAL A 149 0.307 -1.810 3.648 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.752 -2.682 2.484 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.213 -1.775 3.744 1.00 0.00 C ATOM 0 H VAL A 149 0.689 -0.607 6.163 1.00 0.00 H new ATOM 0 HA VAL A 149 0.645 -3.361 5.109 1.00 0.00 H new ATOM 0 HB VAL A 149 0.662 -0.795 3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.309 -2.310 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.839 -2.654 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.428 -3.709 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.629 -1.415 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.588 -2.778 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.511 -1.107 4.552 1.00 0.00 H new ATOM 422 N GLN A 150 3.111 -3.335 5.134 1.00 0.00 N ATOM 423 CA GLN A 150 4.567 -3.379 5.088 1.00 0.00 C ATOM 424 C GLN A 150 5.054 -3.480 3.646 1.00 0.00 C ATOM 425 O GLN A 150 5.484 -4.541 3.196 1.00 0.00 O ATOM 426 CB GLN A 150 5.090 -4.566 5.901 1.00 0.00 C ATOM 427 CG GLN A 150 6.587 -4.517 6.155 1.00 0.00 C ATOM 428 CD GLN A 150 7.037 -5.534 7.186 1.00 0.00 C ATOM 429 OE1 GLN A 150 7.889 -6.379 6.912 1.00 0.00 O ATOM 430 NE2 GLN A 150 6.463 -5.459 8.382 1.00 0.00 N ATOM 0 H GLN A 150 2.670 -4.225 5.365 1.00 0.00 H new ATOM 0 HA GLN A 150 4.951 -2.456 5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.569 -4.598 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.849 -5.490 5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 150 7.117 -4.695 5.219 1.00 0.00 H new ATOM 0 HG3 GLN A 150 6.862 -3.518 6.492 1.00 0.00 H new ATOM 0 HE21 GLN A 150 5.761 -4.743 8.567 1.00 0.00 H new ATOM 0 HE22 GLN A 150 6.725 -6.118 9.115 1.00 0.00 H new ATOM 439 N GLY A 151 4.975 -2.366 2.925 1.00 0.00 N ATOM 440 CA GLY A 151 5.403 -2.343 1.537 1.00 0.00 C ATOM 441 C GLY A 151 6.817 -2.859 1.350 1.00 0.00 C ATOM 442 O GLY A 151 7.677 -2.657 2.206 1.00 0.00 O ATOM 0 H GLY A 151 4.621 -1.477 3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.719 -2.946 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.340 -1.323 1.159 1.00 0.00 H new ATOM 446 N THR A 152 7.055 -3.526 0.225 1.00 0.00 N ATOM 447 CA THR A 152 8.373 -4.071 -0.078 1.00 0.00 C ATOM 448 C THR A 152 8.948 -3.440 -1.344 1.00 0.00 C ATOM 449 O THR A 152 9.793 -4.033 -2.014 1.00 0.00 O ATOM 450 CB THR A 152 8.292 -5.590 -0.245 1.00 0.00 C ATOM 451 OG1 THR A 152 7.597 -5.927 -1.432 1.00 0.00 O ATOM 452 CG2 THR A 152 7.596 -6.282 0.908 1.00 0.00 C ATOM 0 H THR A 152 6.351 -3.702 -0.492 1.00 0.00 H new ATOM 0 HA THR A 152 9.035 -3.836 0.755 1.00 0.00 H new ATOM 0 HB THR A 152 9.326 -5.933 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.557 -6.902 -1.522 1.00 0.00 H new ATOM 0 HG21 THR A 152 7.573 -7.357 0.727 1.00 0.00 H new ATOM 0 HG22 THR A 152 8.137 -6.082 1.833 1.00 0.00 H new ATOM 0 HG23 THR A 152 6.576 -5.907 0.996 1.00 0.00 H new ATOM 460 N GLY A 153 8.482 -2.237 -1.668 1.00 0.00 N ATOM 461 CA GLY A 153 8.962 -1.551 -2.854 1.00 0.00 C ATOM 462 C GLY A 153 10.367 -1.005 -2.686 1.00 0.00 C ATOM 463 O GLY A 153 10.564 0.037 -2.061 1.00 0.00 O ATOM 0 H GLY A 153 7.781 -1.726 -1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.943 -2.239 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.284 -0.732 -3.094 1.00 0.00 H new ATOM 467 N LYS A 154 11.343 -1.710 -3.250 1.00 0.00 N ATOM 468 CA LYS A 154 12.739 -1.294 -3.168 1.00 0.00 C ATOM 469 C LYS A 154 13.205 -1.206 -1.715 1.00 0.00 C ATOM 470 O LYS A 154 13.813 -2.141 -1.193 1.00 0.00 O ATOM 471 CB LYS A 154 12.932 0.055 -3.870 1.00 0.00 C ATOM 472 CG LYS A 154 13.662 -0.051 -5.198 1.00 0.00 C ATOM 473 CD LYS A 154 15.126 -0.407 -5.003 1.00 0.00 C ATOM 474 CE LYS A 154 15.934 0.794 -4.535 1.00 0.00 C ATOM 475 NZ LYS A 154 17.316 0.782 -5.087 1.00 0.00 N ATOM 0 H LYS A 154 11.192 -2.574 -3.770 1.00 0.00 H new ATOM 0 HA LYS A 154 13.346 -2.047 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 154 11.956 0.512 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 154 13.488 0.722 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 154 13.182 -0.808 -5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 154 13.585 0.896 -5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 154 15.212 -1.212 -4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 154 15.538 -0.782 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 154 15.430 1.711 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 154 15.978 0.800 -3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 17.834 1.616 -4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 17.806 -0.081 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 17.275 0.802 -6.126 1.00 0.00 H new ATOM 489 N ASN A 155 12.920 -0.080 -1.067 1.00 0.00 N ATOM 490 CA ASN A 155 13.314 0.123 0.323 1.00 0.00 C ATOM 491 C ASN A 155 12.168 -0.196 1.281 1.00 0.00 C ATOM 492 O ASN A 155 12.280 0.025 2.486 1.00 0.00 O ATOM 493 CB ASN A 155 13.782 1.564 0.533 1.00 0.00 C ATOM 494 CG ASN A 155 14.795 2.001 -0.508 1.00 0.00 C ATOM 495 OD1 ASN A 155 15.922 1.507 -0.538 1.00 0.00 O ATOM 496 ND2 ASN A 155 14.396 2.931 -1.367 1.00 0.00 N ATOM 0 H ASN A 155 12.418 0.705 -1.482 1.00 0.00 H new ATOM 0 HA ASN A 155 14.135 -0.560 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 155 12.921 2.231 0.500 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.221 1.659 1.526 1.00 0.00 H new ATOM 0 HD21 ASN A 155 15.033 3.265 -2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 155 13.452 3.312 -1.304 1.00 0.00 H new ATOM 503 N GLY A 156 11.068 -0.718 0.745 1.00 0.00 N ATOM 504 CA GLY A 156 9.928 -1.056 1.577 1.00 0.00 C ATOM 505 C GLY A 156 8.735 -0.151 1.332 1.00 0.00 C ATOM 506 O GLY A 156 7.900 0.039 2.216 1.00 0.00 O ATOM 0 H GLY A 156 10.947 -0.912 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.639 -2.090 1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.217 -0.993 2.626 1.00 0.00 H new ATOM 510 N ARG A 157 8.657 0.410 0.131 1.00 0.00 N ATOM 511 CA ARG A 157 7.558 1.302 -0.227 1.00 0.00 C ATOM 512 C ARG A 157 6.336 0.509 -0.682 1.00 0.00 C ATOM 513 O ARG A 157 6.422 -0.313 -1.594 1.00 0.00 O ATOM 514 CB ARG A 157 7.998 2.263 -1.333 1.00 0.00 C ATOM 515 CG ARG A 157 7.062 3.445 -1.522 1.00 0.00 C ATOM 516 CD ARG A 157 7.635 4.459 -2.499 1.00 0.00 C ATOM 517 NE ARG A 157 9.024 4.793 -2.191 1.00 0.00 N ATOM 518 CZ ARG A 157 9.862 5.354 -3.059 1.00 0.00 C ATOM 519 NH1 ARG A 157 9.458 5.646 -4.289 1.00 0.00 N ATOM 520 NH2 ARG A 157 11.109 5.624 -2.697 1.00 0.00 N ATOM 0 H ARG A 157 9.341 0.264 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 157 7.284 1.875 0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.997 2.635 -1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.070 1.714 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.097 3.092 -1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.883 3.926 -0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.574 4.061 -3.512 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.031 5.366 -2.476 1.00 0.00 H new ATOM 0 HE ARG A 157 9.372 4.584 -1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.500 5.440 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 157 10.105 6.076 -4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 157 11.426 5.402 -1.753 1.00 0.00 H new ATOM 0 HH22 ARG A 157 11.751 6.054 -3.362 1.00 0.00 H new ATOM 534 N VAL A 158 5.198 0.761 -0.042 1.00 0.00 N ATOM 535 CA VAL A 158 3.960 0.071 -0.382 1.00 0.00 C ATOM 536 C VAL A 158 3.468 0.480 -1.766 1.00 0.00 C ATOM 537 O VAL A 158 3.187 1.653 -2.015 1.00 0.00 O ATOM 538 CB VAL A 158 2.850 0.362 0.646 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.638 -0.519 0.387 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.363 0.164 2.064 1.00 0.00 C ATOM 0 H VAL A 158 5.108 1.439 0.715 1.00 0.00 H new ATOM 0 HA VAL A 158 4.182 -0.996 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 158 2.548 1.403 0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.865 -0.299 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.253 -0.323 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.927 -1.567 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.563 0.375 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.697 -0.866 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.198 0.841 2.247 1.00 0.00 H new ATOM 550 N LEU A 159 3.366 -0.494 -2.663 1.00 0.00 N ATOM 551 CA LEU A 159 2.908 -0.239 -4.023 1.00 0.00 C ATOM 552 C LEU A 159 1.561 -0.909 -4.276 1.00 0.00 C ATOM 553 O LEU A 159 1.078 -1.683 -3.448 1.00 0.00 O ATOM 554 CB LEU A 159 3.936 -0.746 -5.037 1.00 0.00 C ATOM 555 CG LEU A 159 5.399 -0.613 -4.605 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.281 -1.547 -5.418 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.867 0.827 -4.750 1.00 0.00 C ATOM 0 H LEU A 159 3.595 -1.469 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 159 2.791 0.838 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.730 -1.796 -5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.799 -0.202 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 159 5.477 -0.896 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.317 -1.439 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.959 -2.577 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.200 -1.295 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.909 0.904 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.775 1.136 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.253 1.474 -4.124 1.00 0.00 H new ATOM 569 N LYS A 160 0.961 -0.613 -5.426 1.00 0.00 N ATOM 570 CA LYS A 160 -0.329 -1.196 -5.785 1.00 0.00 C ATOM 571 C LYS A 160 -0.300 -2.712 -5.623 1.00 0.00 C ATOM 572 O LYS A 160 -1.322 -3.339 -5.347 1.00 0.00 O ATOM 573 CB LYS A 160 -0.698 -0.831 -7.224 1.00 0.00 C ATOM 574 CG LYS A 160 -2.140 -1.160 -7.582 1.00 0.00 C ATOM 575 CD LYS A 160 -2.754 -0.088 -8.468 1.00 0.00 C ATOM 576 CE LYS A 160 -2.781 1.263 -7.772 1.00 0.00 C ATOM 577 NZ LYS A 160 -3.776 2.185 -8.387 1.00 0.00 N ATOM 0 H LYS A 160 1.346 0.025 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.084 -0.789 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.528 0.235 -7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.033 -1.359 -7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.178 -2.122 -8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.728 -1.260 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -2.184 -0.010 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -3.769 -0.378 -8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.019 1.123 -6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -1.790 1.715 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.763 3.095 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -3.535 2.339 -9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -4.725 1.766 -8.320 1.00 0.00 H new ATOM 591 N GLU A 161 0.885 -3.294 -5.789 1.00 0.00 N ATOM 592 CA GLU A 161 1.056 -4.734 -5.654 1.00 0.00 C ATOM 593 C GLU A 161 0.962 -5.148 -4.190 1.00 0.00 C ATOM 594 O GLU A 161 0.352 -6.164 -3.859 1.00 0.00 O ATOM 595 CB GLU A 161 2.402 -5.166 -6.237 1.00 0.00 C ATOM 596 CG GLU A 161 2.484 -5.028 -7.748 1.00 0.00 C ATOM 597 CD GLU A 161 1.665 -6.076 -8.474 1.00 0.00 C ATOM 598 OE1 GLU A 161 0.760 -6.663 -7.845 1.00 0.00 O ATOM 599 OE2 GLU A 161 1.930 -6.310 -9.673 1.00 0.00 O ATOM 0 H GLU A 161 1.741 -2.788 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 161 0.258 -5.229 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 161 3.193 -4.570 -5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 161 2.590 -6.205 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 161 2.137 -4.036 -8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 161 3.525 -5.105 -8.060 1.00 0.00 H new ATOM 606 N ASP A 162 1.566 -4.347 -3.315 1.00 0.00 N ATOM 607 CA ASP A 162 1.545 -4.628 -1.886 1.00 0.00 C ATOM 608 C ASP A 162 0.116 -4.603 -1.362 1.00 0.00 C ATOM 609 O ASP A 162 -0.299 -5.493 -0.621 1.00 0.00 O ATOM 610 CB ASP A 162 2.400 -3.610 -1.130 1.00 0.00 C ATOM 611 CG ASP A 162 3.884 -3.901 -1.245 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.269 -5.082 -1.112 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.660 -2.949 -1.471 1.00 0.00 O ATOM 0 H ASP A 162 2.074 -3.501 -3.572 1.00 0.00 H new ATOM 0 HA ASP A 162 1.960 -5.623 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.198 -2.611 -1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.113 -3.609 -0.078 1.00 0.00 H new ATOM 618 N ILE A 163 -0.636 -3.582 -1.760 1.00 0.00 N ATOM 619 CA ILE A 163 -2.023 -3.454 -1.336 1.00 0.00 C ATOM 620 C ILE A 163 -2.846 -4.629 -1.850 1.00 0.00 C ATOM 621 O ILE A 163 -3.564 -5.277 -1.089 1.00 0.00 O ATOM 622 CB ILE A 163 -2.653 -2.137 -1.831 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.771 -0.949 -1.443 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.053 -1.972 -1.257 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.591 -0.795 0.051 1.00 0.00 C ATOM 0 H ILE A 163 -0.309 -2.835 -2.373 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.027 -3.449 -0.246 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.728 -2.172 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.793 -1.065 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.209 -0.035 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.485 -1.038 -1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.678 -2.807 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -4.000 -1.953 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -0.955 0.067 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.563 -0.647 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.125 -1.693 0.456 1.00 0.00 H new ATOM 637 N ASP A 164 -2.723 -4.910 -3.145 1.00 0.00 N ATOM 638 CA ASP A 164 -3.444 -6.020 -3.756 1.00 0.00 C ATOM 639 C ASP A 164 -3.121 -7.322 -3.029 1.00 0.00 C ATOM 640 O ASP A 164 -3.962 -8.216 -2.926 1.00 0.00 O ATOM 641 CB ASP A 164 -3.082 -6.138 -5.239 1.00 0.00 C ATOM 642 CG ASP A 164 -4.240 -5.776 -6.148 1.00 0.00 C ATOM 643 OD1 ASP A 164 -5.125 -6.632 -6.353 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.261 -4.635 -6.656 1.00 0.00 O ATOM 0 H ASP A 164 -2.132 -4.385 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.514 -5.828 -3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.236 -5.486 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.762 -7.158 -5.452 1.00 0.00 H new ATOM 649 N ALA A 165 -1.899 -7.410 -2.512 1.00 0.00 N ATOM 650 CA ALA A 165 -1.463 -8.589 -1.777 1.00 0.00 C ATOM 651 C ALA A 165 -2.047 -8.569 -0.374 1.00 0.00 C ATOM 652 O ALA A 165 -2.501 -9.590 0.142 1.00 0.00 O ATOM 653 CB ALA A 165 0.056 -8.654 -1.726 1.00 0.00 C ATOM 0 H ALA A 165 -1.194 -6.677 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.822 -9.479 -2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.364 -9.541 -1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.452 -8.703 -2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.442 -7.764 -1.228 1.00 0.00 H new ATOM 659 N PHE A 166 -2.046 -7.386 0.229 1.00 0.00 N ATOM 660 CA PHE A 166 -2.592 -7.205 1.566 1.00 0.00 C ATOM 661 C PHE A 166 -4.079 -7.553 1.580 1.00 0.00 C ATOM 662 O PHE A 166 -4.636 -7.912 2.617 1.00 0.00 O ATOM 663 CB PHE A 166 -2.383 -5.760 2.021 1.00 0.00 C ATOM 664 CG PHE A 166 -2.985 -5.456 3.360 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.348 -5.263 3.489 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.186 -5.361 4.485 1.00 0.00 C ATOM 667 CE1 PHE A 166 -4.908 -4.979 4.718 1.00 0.00 C ATOM 668 CE2 PHE A 166 -2.739 -5.077 5.720 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.102 -4.886 5.837 1.00 0.00 C ATOM 0 H PHE A 166 -1.671 -6.535 -0.190 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.072 -7.872 2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.314 -5.551 2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -2.814 -5.089 1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -4.982 -5.335 2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.120 -5.510 4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -5.974 -4.830 4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.106 -5.005 6.592 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.537 -4.665 6.800 1.00 0.00 H new ATOM 679 N LEU A 167 -4.714 -7.443 0.414 1.00 0.00 N ATOM 680 CA LEU A 167 -6.133 -7.743 0.275 1.00 0.00 C ATOM 681 C LEU A 167 -6.347 -9.221 -0.027 1.00 0.00 C ATOM 682 O LEU A 167 -7.276 -9.845 0.487 1.00 0.00 O ATOM 683 CB LEU A 167 -6.744 -6.894 -0.843 1.00 0.00 C ATOM 684 CG LEU A 167 -7.222 -5.498 -0.430 1.00 0.00 C ATOM 685 CD1 LEU A 167 -6.229 -4.838 0.515 1.00 0.00 C ATOM 686 CD2 LEU A 167 -7.440 -4.632 -1.660 1.00 0.00 C ATOM 0 H LEU A 167 -4.262 -7.146 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.625 -7.506 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.005 -6.785 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -7.589 -7.437 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.170 -5.605 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -6.593 -3.849 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -6.119 -5.448 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -5.263 -4.743 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -7.780 -3.643 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -6.504 -4.540 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -8.193 -5.092 -2.300 1.00 0.00 H new ATOM 698 N ALA A 168 -5.481 -9.775 -0.870 1.00 0.00 N ATOM 699 CA ALA A 168 -5.571 -11.180 -1.249 1.00 0.00 C ATOM 700 C ALA A 168 -4.690 -12.054 -0.361 1.00 0.00 C ATOM 701 O ALA A 168 -4.178 -13.083 -0.802 1.00 0.00 O ATOM 702 CB ALA A 168 -5.187 -11.355 -2.711 1.00 0.00 C ATOM 0 H ALA A 168 -4.708 -9.271 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.604 -11.500 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -5.258 -12.408 -2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.863 -10.773 -3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -4.164 -11.010 -2.862 1.00 0.00 H new ATOM 708 N GLY A 169 -4.518 -11.641 0.890 1.00 0.00 N ATOM 709 CA GLY A 169 -3.701 -12.402 1.817 1.00 0.00 C ATOM 710 C GLY A 169 -4.477 -12.854 3.038 1.00 0.00 C ATOM 711 O GLY A 169 -3.904 -13.045 4.111 1.00 0.00 O ATOM 0 H GLY A 169 -4.930 -10.793 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 169 -3.294 -13.274 1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 169 -2.854 -11.794 2.134 1.00 0.00 H new ATOM 715 N GLY A 170 -5.785 -13.023 2.875 1.00 0.00 N ATOM 716 CA GLY A 170 -6.620 -13.453 3.981 1.00 0.00 C ATOM 717 C GLY A 170 -7.675 -14.456 3.555 1.00 0.00 C ATOM 718 O GLY A 170 -7.393 -15.264 2.646 1.00 0.00 O ATOM 719 OXT GLY A 170 -8.783 -14.434 4.132 1.00 0.00 O ATOM 0 H GLY A 170 -6.281 -12.870 1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 170 -5.993 -13.896 4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 170 -7.107 -12.584 4.424 1.00 0.00 H new TER 723 GLY A 170