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 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -116:sc= 0 (180deg=-1.32!) USER MOD Single : A 150 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.16) 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= -3.48! C(o=-3.5!,f=-9.1!) USER MOD Single : A 160 LYS NZ :NH3+ -162:sc= 0.0222 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 10.705 5.764 12.082 1.00 0.00 N ATOM 2 CA ASN A 126 9.976 4.562 12.566 1.00 0.00 C ATOM 3 C ASN A 126 8.478 4.832 12.676 1.00 0.00 C ATOM 4 O ASN A 126 7.661 3.921 12.537 1.00 0.00 O ATOM 5 CB ASN A 126 10.545 4.165 13.931 1.00 0.00 C ATOM 6 CG ASN A 126 11.312 2.857 13.878 1.00 0.00 C ATOM 7 OD1 ASN A 126 12.508 2.837 13.587 1.00 0.00 O ATOM 8 ND2 ASN A 126 10.625 1.757 14.160 1.00 0.00 N ATOM 0 HA ASN A 126 10.110 3.749 11.852 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.204 4.955 14.291 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.730 4.077 14.650 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.087 0.848 14.141 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.635 1.821 14.396 1.00 0.00 H new ATOM 17 N ARG A 127 8.125 6.089 12.926 1.00 0.00 N ATOM 18 CA ARG A 127 6.724 6.478 13.055 1.00 0.00 C ATOM 19 C ARG A 127 6.191 7.051 11.746 1.00 0.00 C ATOM 20 O ARG A 127 5.250 7.844 11.742 1.00 0.00 O ATOM 21 CB ARG A 127 6.562 7.505 14.176 1.00 0.00 C ATOM 22 CG ARG A 127 7.377 8.770 13.963 1.00 0.00 C ATOM 23 CD ARG A 127 7.065 9.818 15.018 1.00 0.00 C ATOM 24 NE ARG A 127 8.207 10.692 15.274 1.00 0.00 N ATOM 25 CZ ARG A 127 8.319 11.469 16.350 1.00 0.00 C ATOM 26 NH1 ARG A 127 7.362 11.483 17.269 1.00 0.00 N ATOM 27 NH2 ARG A 127 9.391 12.234 16.506 1.00 0.00 N ATOM 0 H ARG A 127 8.788 6.855 13.043 1.00 0.00 H new ATOM 0 HA ARG A 127 6.148 5.586 13.299 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.509 7.772 14.264 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.855 7.048 15.121 1.00 0.00 H new ATOM 0 HG2 ARG A 127 8.440 8.529 13.992 1.00 0.00 H new ATOM 0 HG3 ARG A 127 7.169 9.176 12.973 1.00 0.00 H new ATOM 0 HD2 ARG A 127 6.215 10.418 14.693 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.771 9.324 15.944 1.00 0.00 H new ATOM 0 HE ARG A 127 8.963 10.708 14.589 1.00 0.00 H new ATOM 0 HH11 ARG A 127 6.535 10.897 17.153 1.00 0.00 H new ATOM 0 HH12 ARG A 127 7.453 12.080 18.091 1.00 0.00 H new ATOM 0 HH21 ARG A 127 10.129 12.227 15.802 1.00 0.00 H new ATOM 0 HH22 ARG A 127 9.477 12.829 17.330 1.00 0.00 H new ATOM 41 N ARG A 128 6.796 6.645 10.633 1.00 0.00 N ATOM 42 CA ARG A 128 6.377 7.119 9.320 1.00 0.00 C ATOM 43 C ARG A 128 6.198 5.953 8.353 1.00 0.00 C ATOM 44 O ARG A 128 6.881 4.934 8.459 1.00 0.00 O ATOM 45 CB ARG A 128 7.402 8.106 8.761 1.00 0.00 C ATOM 46 CG ARG A 128 8.809 7.536 8.671 1.00 0.00 C ATOM 47 CD ARG A 128 9.787 8.549 8.097 1.00 0.00 C ATOM 48 NE ARG A 128 10.976 8.695 8.933 1.00 0.00 N ATOM 49 CZ ARG A 128 11.011 9.417 10.050 1.00 0.00 C ATOM 50 NH1 ARG A 128 9.925 10.053 10.473 1.00 0.00 N ATOM 51 NH2 ARG A 128 12.135 9.502 10.749 1.00 0.00 N ATOM 0 H ARG A 128 7.577 5.989 10.615 1.00 0.00 H new ATOM 0 HA ARG A 128 5.418 7.625 9.433 1.00 0.00 H new ATOM 0 HB2 ARG A 128 7.084 8.424 7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 128 7.419 8.995 9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.142 7.229 9.662 1.00 0.00 H new ATOM 0 HG3 ARG A 128 8.801 6.643 8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 128 10.084 8.239 7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.292 9.515 7.998 1.00 0.00 H new ATOM 0 HE ARG A 128 11.829 8.216 8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 128 9.057 9.990 9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 128 9.959 10.605 11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.972 9.014 10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.162 10.055 11.605 1.00 0.00 H new ATOM 65 N VAL A 129 5.278 6.109 7.407 1.00 0.00 N ATOM 66 CA VAL A 129 5.012 5.071 6.420 1.00 0.00 C ATOM 67 C VAL A 129 5.556 5.465 5.051 1.00 0.00 C ATOM 68 O VAL A 129 5.741 6.648 4.764 1.00 0.00 O ATOM 69 CB VAL A 129 3.505 4.779 6.298 1.00 0.00 C ATOM 70 CG1 VAL A 129 3.266 3.546 5.440 1.00 0.00 C ATOM 71 CG2 VAL A 129 2.880 4.608 7.675 1.00 0.00 C ATOM 0 H VAL A 129 4.704 6.946 7.304 1.00 0.00 H new ATOM 0 HA VAL A 129 5.519 4.170 6.765 1.00 0.00 H new ATOM 0 HB VAL A 129 3.028 5.630 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.195 3.356 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.675 3.711 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.756 2.685 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.815 4.402 7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.360 3.777 8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.017 5.522 8.253 1.00 0.00 H new ATOM 81 N ILE A 130 5.812 4.468 4.211 1.00 0.00 N ATOM 82 CA ILE A 130 6.337 4.712 2.874 1.00 0.00 C ATOM 83 C ILE A 130 5.481 4.029 1.813 1.00 0.00 C ATOM 84 O ILE A 130 5.256 2.820 1.867 1.00 0.00 O ATOM 85 CB ILE A 130 7.789 4.217 2.741 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.632 4.720 3.914 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.385 4.671 1.416 1.00 0.00 C ATOM 88 CD1 ILE A 130 9.990 4.060 4.009 1.00 0.00 C ATOM 0 H ILE A 130 5.664 3.483 4.433 1.00 0.00 H new ATOM 0 HA ILE A 130 6.313 5.791 2.718 1.00 0.00 H new ATOM 0 HB ILE A 130 7.789 3.127 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 130 8.767 5.797 3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.088 4.548 4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.412 4.313 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.795 4.266 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.376 5.760 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.532 4.465 4.863 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.864 2.985 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.553 4.254 3.096 1.00 0.00 H new ATOM 100 N ALA A 131 5.008 4.808 0.846 1.00 0.00 N ATOM 101 CA ALA A 131 4.182 4.275 -0.229 1.00 0.00 C ATOM 102 C ALA A 131 3.972 5.311 -1.326 1.00 0.00 C ATOM 103 O ALA A 131 4.381 6.464 -1.192 1.00 0.00 O ATOM 104 CB ALA A 131 2.841 3.807 0.313 1.00 0.00 C ATOM 0 H ALA A 131 5.183 5.811 0.785 1.00 0.00 H new ATOM 0 HA ALA A 131 4.705 3.422 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.236 3.412 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.002 3.026 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.322 4.647 0.775 1.00 0.00 H new ATOM 110 N MET A 132 3.322 4.894 -2.406 1.00 0.00 N ATOM 111 CA MET A 132 3.046 5.788 -3.522 1.00 0.00 C ATOM 112 C MET A 132 1.690 6.466 -3.338 1.00 0.00 C ATOM 113 O MET A 132 0.765 5.882 -2.771 1.00 0.00 O ATOM 114 CB MET A 132 3.079 5.019 -4.843 1.00 0.00 C ATOM 115 CG MET A 132 4.450 4.998 -5.501 1.00 0.00 C ATOM 116 SD MET A 132 4.903 6.589 -6.217 1.00 0.00 S ATOM 117 CE MET A 132 4.027 6.520 -7.778 1.00 0.00 C ATOM 0 H MET A 132 2.977 3.943 -2.532 1.00 0.00 H new ATOM 0 HA MET A 132 3.819 6.556 -3.548 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.755 3.994 -4.665 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.361 5.465 -5.532 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.198 4.710 -4.763 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.462 4.237 -6.281 1.00 0.00 H new ATOM 0 HE1 MET A 132 4.209 7.437 -8.338 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.380 5.666 -8.356 1.00 0.00 H new ATOM 0 HE3 MET A 132 2.958 6.415 -7.591 1.00 0.00 H new ATOM 127 N PRO A 133 1.555 7.717 -3.809 1.00 0.00 N ATOM 128 CA PRO A 133 0.307 8.472 -3.686 1.00 0.00 C ATOM 129 C PRO A 133 -0.913 7.672 -4.125 1.00 0.00 C ATOM 130 O PRO A 133 -1.900 7.588 -3.396 1.00 0.00 O ATOM 131 CB PRO A 133 0.525 9.669 -4.610 1.00 0.00 C ATOM 132 CG PRO A 133 2.002 9.865 -4.626 1.00 0.00 C ATOM 133 CD PRO A 133 2.606 8.493 -4.494 1.00 0.00 C ATOM 0 HA PRO A 133 0.101 8.745 -2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.140 9.473 -5.611 1.00 0.00 H new ATOM 0 HB3 PRO A 133 0.011 10.556 -4.239 1.00 0.00 H new ATOM 0 HG2 PRO A 133 2.322 10.344 -5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 133 2.318 10.511 -3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.850 8.067 -5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 133 3.530 8.515 -3.916 1.00 0.00 H new ATOM 141 N SER A 134 -0.839 7.082 -5.316 1.00 0.00 N ATOM 142 CA SER A 134 -1.945 6.291 -5.849 1.00 0.00 C ATOM 143 C SER A 134 -2.211 5.073 -4.974 1.00 0.00 C ATOM 144 O SER A 134 -3.333 4.571 -4.922 1.00 0.00 O ATOM 145 CB SER A 134 -1.639 5.849 -7.281 1.00 0.00 C ATOM 146 OG SER A 134 -2.809 5.863 -8.080 1.00 0.00 O ATOM 0 H SER A 134 -0.026 7.137 -5.929 1.00 0.00 H new ATOM 0 HA SER A 134 -2.838 6.915 -5.853 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.889 6.510 -7.717 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.213 4.846 -7.272 1.00 0.00 H new ATOM 0 HG SER A 134 -2.586 5.578 -8.991 1.00 0.00 H new ATOM 152 N VAL A 135 -1.181 4.607 -4.277 1.00 0.00 N ATOM 153 CA VAL A 135 -1.324 3.459 -3.396 1.00 0.00 C ATOM 154 C VAL A 135 -2.131 3.839 -2.164 1.00 0.00 C ATOM 155 O VAL A 135 -2.962 3.065 -1.689 1.00 0.00 O ATOM 156 CB VAL A 135 0.044 2.898 -2.966 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.123 1.712 -2.028 1.00 0.00 C ATOM 158 CG2 VAL A 135 0.850 2.505 -4.192 1.00 0.00 C ATOM 0 H VAL A 135 -0.243 5.006 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.849 2.682 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 135 0.583 3.675 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.858 1.335 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.667 2.026 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.680 0.924 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.817 2.109 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.310 1.743 -4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.003 3.381 -4.823 1.00 0.00 H new ATOM 168 N ARG A 136 -1.895 5.046 -1.661 1.00 0.00 N ATOM 169 CA ARG A 136 -2.620 5.532 -0.496 1.00 0.00 C ATOM 170 C ARG A 136 -4.084 5.744 -0.854 1.00 0.00 C ATOM 171 O ARG A 136 -4.980 5.391 -0.087 1.00 0.00 O ATOM 172 CB ARG A 136 -2.004 6.834 0.017 1.00 0.00 C ATOM 173 CG ARG A 136 -0.793 6.621 0.910 1.00 0.00 C ATOM 174 CD ARG A 136 -1.130 6.859 2.376 1.00 0.00 C ATOM 175 NE ARG A 136 -0.054 7.554 3.078 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.051 7.784 4.389 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.065 7.377 5.143 1.00 0.00 N ATOM 178 NH2 ARG A 136 0.967 8.423 4.947 1.00 0.00 N ATOM 0 H ARG A 136 -1.211 5.701 -2.040 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.551 4.788 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.714 7.450 -0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.760 7.391 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.420 5.605 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.008 7.295 0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.047 7.444 2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.323 5.903 2.864 1.00 0.00 H new ATOM 0 HE ARG A 136 0.742 7.882 2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.851 6.885 4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.058 7.556 6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.748 8.739 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.969 8.599 5.952 1.00 0.00 H new ATOM 192 N LYS A 137 -4.317 6.299 -2.038 1.00 0.00 N ATOM 193 CA LYS A 137 -5.679 6.529 -2.512 1.00 0.00 C ATOM 194 C LYS A 137 -6.341 5.191 -2.791 1.00 0.00 C ATOM 195 O LYS A 137 -7.518 4.988 -2.494 1.00 0.00 O ATOM 196 CB LYS A 137 -5.700 7.385 -3.786 1.00 0.00 C ATOM 197 CG LYS A 137 -4.446 8.204 -4.002 1.00 0.00 C ATOM 198 CD LYS A 137 -4.670 9.321 -5.008 1.00 0.00 C ATOM 199 CE LYS A 137 -4.912 8.773 -6.405 1.00 0.00 C ATOM 200 NZ LYS A 137 -4.108 9.493 -7.431 1.00 0.00 N ATOM 0 H LYS A 137 -3.586 6.597 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.222 7.070 -1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.847 6.733 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -6.557 8.057 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -4.121 8.629 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -3.643 7.555 -4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.524 9.924 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -3.802 9.980 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -4.662 7.712 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.971 8.857 -6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -4.302 9.089 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -4.364 10.501 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -3.096 9.392 -7.213 1.00 0.00 H new ATOM 214 N TRP A 138 -5.561 4.273 -3.356 1.00 0.00 N ATOM 215 CA TRP A 138 -6.057 2.942 -3.667 1.00 0.00 C ATOM 216 C TRP A 138 -6.529 2.246 -2.396 1.00 0.00 C ATOM 217 O TRP A 138 -7.646 1.731 -2.333 1.00 0.00 O ATOM 218 CB TRP A 138 -4.963 2.126 -4.361 1.00 0.00 C ATOM 219 CG TRP A 138 -5.270 0.664 -4.460 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.629 -0.348 -3.811 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.294 0.053 -5.253 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.190 -1.556 -4.152 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.214 -1.336 -5.035 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.269 0.544 -6.124 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.074 -2.237 -5.659 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.122 -0.351 -6.741 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.020 -1.727 -6.506 1.00 0.00 C ATOM 0 H TRP A 138 -4.585 4.429 -3.606 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.907 3.027 -4.344 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.807 2.524 -5.364 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.027 2.255 -3.818 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.802 -0.220 -3.129 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -4.892 -2.467 -3.804 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.355 1.604 -6.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -6.997 -3.299 -5.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.880 0.017 -7.416 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.702 -2.400 -7.004 1.00 0.00 H new ATOM 238 N ALA A 139 -5.678 2.253 -1.378 1.00 0.00 N ATOM 239 CA ALA A 139 -6.017 1.642 -0.104 1.00 0.00 C ATOM 240 C ALA A 139 -7.206 2.361 0.518 1.00 0.00 C ATOM 241 O ALA A 139 -8.180 1.735 0.926 1.00 0.00 O ATOM 242 CB ALA A 139 -4.819 1.676 0.834 1.00 0.00 C ATOM 0 H ALA A 139 -4.750 2.675 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.290 0.600 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.088 1.215 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.990 1.127 0.386 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.520 2.710 1.004 1.00 0.00 H new ATOM 248 N ARG A 140 -7.122 3.688 0.574 1.00 0.00 N ATOM 249 CA ARG A 140 -8.195 4.498 1.135 1.00 0.00 C ATOM 250 C ARG A 140 -9.506 4.249 0.397 1.00 0.00 C ATOM 251 O ARG A 140 -10.587 4.373 0.973 1.00 0.00 O ATOM 252 CB ARG A 140 -7.831 5.983 1.065 1.00 0.00 C ATOM 253 CG ARG A 140 -8.867 6.894 1.707 1.00 0.00 C ATOM 254 CD ARG A 140 -9.479 7.848 0.692 1.00 0.00 C ATOM 255 NE ARG A 140 -10.753 8.394 1.154 1.00 0.00 N ATOM 256 CZ ARG A 140 -10.860 9.383 2.037 1.00 0.00 C ATOM 257 NH1 ARG A 140 -9.773 9.938 2.558 1.00 0.00 N ATOM 258 NH2 ARG A 140 -12.058 9.819 2.402 1.00 0.00 N ATOM 0 H ARG A 140 -6.321 4.223 0.237 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.326 4.212 2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -6.870 6.137 1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -7.705 6.269 0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.653 6.290 2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.402 7.466 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -8.784 8.665 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -9.630 7.325 -0.252 1.00 0.00 H new ATOM 0 HE ARG A 140 -11.612 7.993 0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -8.849 9.607 2.282 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -9.862 10.696 3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -12.897 9.396 2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -12.140 10.577 3.079 1.00 0.00 H new ATOM 272 N GLU A 141 -9.406 3.894 -0.883 1.00 0.00 N ATOM 273 CA GLU A 141 -10.588 3.626 -1.694 1.00 0.00 C ATOM 274 C GLU A 141 -11.171 2.255 -1.367 1.00 0.00 C ATOM 275 O GLU A 141 -12.387 2.068 -1.379 1.00 0.00 O ATOM 276 CB GLU A 141 -10.239 3.704 -3.181 1.00 0.00 C ATOM 277 CG GLU A 141 -10.274 5.117 -3.742 1.00 0.00 C ATOM 278 CD GLU A 141 -10.022 5.157 -5.236 1.00 0.00 C ATOM 279 OE1 GLU A 141 -8.841 5.143 -5.640 1.00 0.00 O ATOM 280 OE2 GLU A 141 -11.007 5.202 -6.002 1.00 0.00 O ATOM 0 H GLU A 141 -8.521 3.786 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.337 4.384 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.244 3.286 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -10.936 3.082 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -11.245 5.565 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.525 5.724 -3.234 1.00 0.00 H new ATOM 287 N LYS A 142 -10.294 1.300 -1.077 1.00 0.00 N ATOM 288 CA LYS A 142 -10.722 -0.056 -0.748 1.00 0.00 C ATOM 289 C LYS A 142 -10.933 -0.229 0.759 1.00 0.00 C ATOM 290 O LYS A 142 -11.366 -1.287 1.212 1.00 0.00 O ATOM 291 CB LYS A 142 -9.691 -1.071 -1.250 1.00 0.00 C ATOM 292 CG LYS A 142 -10.146 -1.845 -2.477 1.00 0.00 C ATOM 293 CD LYS A 142 -10.164 -0.966 -3.718 1.00 0.00 C ATOM 294 CE LYS A 142 -11.585 -0.636 -4.148 1.00 0.00 C ATOM 295 NZ LYS A 142 -11.670 0.693 -4.815 1.00 0.00 N ATOM 0 H LYS A 142 -9.284 1.439 -1.063 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.676 -0.233 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.763 -0.549 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -9.467 -1.775 -0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.481 -2.693 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -11.143 -2.251 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -9.620 -0.043 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.645 -1.473 -4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -11.947 -1.407 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -12.240 -0.647 -3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -12.260 1.331 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -10.716 1.096 -4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -12.094 0.582 -5.758 1.00 0.00 H new ATOM 309 N GLY A 143 -10.622 0.811 1.530 1.00 0.00 N ATOM 310 CA GLY A 143 -10.785 0.738 2.971 1.00 0.00 C ATOM 311 C GLY A 143 -9.491 0.393 3.689 1.00 0.00 C ATOM 312 O GLY A 143 -9.413 0.481 4.915 1.00 0.00 O ATOM 0 H GLY A 143 -10.261 1.700 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.157 1.694 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.540 -0.011 3.210 1.00 0.00 H new ATOM 316 N VAL A 144 -8.476 -0.001 2.925 1.00 0.00 N ATOM 317 CA VAL A 144 -7.183 -0.361 3.494 1.00 0.00 C ATOM 318 C VAL A 144 -6.343 0.875 3.793 1.00 0.00 C ATOM 319 O VAL A 144 -6.388 1.863 3.063 1.00 0.00 O ATOM 320 CB VAL A 144 -6.387 -1.278 2.547 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.151 -1.820 3.250 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.263 -2.415 2.039 1.00 0.00 C ATOM 0 H VAL A 144 -8.525 -0.079 1.909 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.391 -0.892 4.423 1.00 0.00 H new ATOM 0 HB VAL A 144 -6.063 -0.691 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.599 -2.466 2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.515 -0.990 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.453 -2.392 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.682 -3.052 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.620 -3.005 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.115 -2.004 1.498 1.00 0.00 H new ATOM 332 N ASP A 145 -5.566 0.805 4.868 1.00 0.00 N ATOM 333 CA ASP A 145 -4.703 1.911 5.262 1.00 0.00 C ATOM 334 C ASP A 145 -3.241 1.564 4.998 1.00 0.00 C ATOM 335 O ASP A 145 -2.781 0.474 5.330 1.00 0.00 O ATOM 336 CB ASP A 145 -4.905 2.243 6.742 1.00 0.00 C ATOM 337 CG ASP A 145 -4.258 3.557 7.134 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.184 3.876 6.584 1.00 0.00 O ATOM 339 OD2 ASP A 145 -4.828 4.267 7.990 1.00 0.00 O ATOM 0 H ASP A 145 -5.516 -0.008 5.483 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.969 2.785 4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -5.972 2.288 6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.489 1.441 7.351 1.00 0.00 H new ATOM 344 N ILE A 146 -2.511 2.490 4.394 1.00 0.00 N ATOM 345 CA ILE A 146 -1.104 2.262 4.090 1.00 0.00 C ATOM 346 C ILE A 146 -0.309 1.981 5.364 1.00 0.00 C ATOM 347 O ILE A 146 0.636 1.193 5.363 1.00 0.00 O ATOM 348 CB ILE A 146 -0.489 3.468 3.343 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.609 2.996 2.392 1.00 0.00 C ATOM 350 CG2 ILE A 146 0.056 4.505 4.319 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.078 2.359 1.125 1.00 0.00 C ATOM 0 H ILE A 146 -2.866 3.402 4.106 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.049 1.388 3.441 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.278 3.944 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.238 3.845 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.245 2.279 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.481 5.340 3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.752 4.867 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.829 4.051 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.913 2.048 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.527 1.490 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.534 3.081 0.584 1.00 0.00 H new ATOM 363 N ARG A 147 -0.701 2.647 6.445 1.00 0.00 N ATOM 364 CA ARG A 147 -0.033 2.492 7.734 1.00 0.00 C ATOM 365 C ARG A 147 0.021 1.031 8.186 1.00 0.00 C ATOM 366 O ARG A 147 0.852 0.667 9.017 1.00 0.00 O ATOM 367 CB ARG A 147 -0.740 3.334 8.797 1.00 0.00 C ATOM 368 CG ARG A 147 -0.439 4.820 8.696 1.00 0.00 C ATOM 369 CD ARG A 147 -1.566 5.660 9.280 1.00 0.00 C ATOM 370 NE ARG A 147 -1.159 6.347 10.504 1.00 0.00 N ATOM 371 CZ ARG A 147 -1.797 7.399 11.010 1.00 0.00 C ATOM 372 NH1 ARG A 147 -2.873 7.886 10.406 1.00 0.00 N ATOM 373 NH2 ARG A 147 -1.359 7.964 12.128 1.00 0.00 N ATOM 0 H ARG A 147 -1.482 3.303 6.454 1.00 0.00 H new ATOM 0 HA ARG A 147 0.993 2.838 7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.816 3.183 8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.446 2.979 9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.490 5.040 9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.286 5.091 7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.890 6.394 8.543 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.423 5.020 9.491 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.338 6.000 10.999 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -3.216 7.454 9.548 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.357 8.693 10.799 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.534 7.592 12.598 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.847 8.771 12.517 1.00 0.00 H new ATOM 387 N LEU A 148 -0.864 0.195 7.645 1.00 0.00 N ATOM 388 CA LEU A 148 -0.892 -1.219 8.020 1.00 0.00 C ATOM 389 C LEU A 148 -0.415 -2.112 6.880 1.00 0.00 C ATOM 390 O LEU A 148 -0.780 -3.284 6.808 1.00 0.00 O ATOM 391 CB LEU A 148 -2.298 -1.647 8.456 1.00 0.00 C ATOM 392 CG LEU A 148 -3.442 -1.056 7.638 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.682 -1.880 6.383 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.712 -0.979 8.469 1.00 0.00 C ATOM 0 H LEU A 148 -1.563 0.467 6.954 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.208 -1.338 8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.361 -2.734 8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.438 -1.368 9.500 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.162 -0.045 7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.502 -1.443 5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.778 -1.886 5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.938 -2.902 6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.516 -0.555 7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -4.994 -1.980 8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.539 -0.347 9.340 1.00 0.00 H new ATOM 406 N VAL A 149 0.404 -1.558 5.992 1.00 0.00 N ATOM 407 CA VAL A 149 0.924 -2.323 4.865 1.00 0.00 C ATOM 408 C VAL A 149 2.441 -2.198 4.765 1.00 0.00 C ATOM 409 O VAL A 149 2.969 -1.130 4.460 1.00 0.00 O ATOM 410 CB VAL A 149 0.293 -1.870 3.534 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.708 -2.803 2.408 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.224 -1.811 3.650 1.00 0.00 C ATOM 0 H VAL A 149 0.720 -0.589 6.030 1.00 0.00 H new ATOM 0 HA VAL A 149 0.660 -3.365 5.046 1.00 0.00 H new ATOM 0 HB VAL A 149 0.655 -0.868 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.255 -2.470 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.793 -2.793 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.374 -3.816 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.649 -1.489 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.608 -2.799 3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.502 -1.103 4.430 1.00 0.00 H new ATOM 422 N GLN A 150 3.136 -3.301 5.023 1.00 0.00 N ATOM 423 CA GLN A 150 4.593 -3.318 4.962 1.00 0.00 C ATOM 424 C GLN A 150 5.076 -3.370 3.515 1.00 0.00 C ATOM 425 O GLN A 150 5.479 -4.424 3.021 1.00 0.00 O ATOM 426 CB GLN A 150 5.144 -4.515 5.740 1.00 0.00 C ATOM 427 CG GLN A 150 6.643 -4.447 5.979 1.00 0.00 C ATOM 428 CD GLN A 150 7.034 -4.914 7.367 1.00 0.00 C ATOM 429 OE1 GLN A 150 6.445 -5.850 7.909 1.00 0.00 O ATOM 430 NE2 GLN A 150 8.032 -4.263 7.951 1.00 0.00 N ATOM 0 H GLN A 150 2.714 -4.194 5.276 1.00 0.00 H new ATOM 0 HA GLN A 150 4.962 -2.398 5.417 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.634 -4.579 6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.913 -5.430 5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 150 7.154 -5.060 5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 150 6.984 -3.422 5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 150 8.492 -3.493 7.465 1.00 0.00 H new ATOM 0 HE22 GLN A 150 8.339 -4.533 8.886 1.00 0.00 H new ATOM 439 N GLY A 151 5.032 -2.225 2.840 1.00 0.00 N ATOM 440 CA GLY A 151 5.466 -2.160 1.456 1.00 0.00 C ATOM 441 C GLY A 151 6.890 -2.647 1.267 1.00 0.00 C ATOM 442 O GLY A 151 7.744 -2.441 2.130 1.00 0.00 O ATOM 0 H GLY A 151 4.703 -1.341 3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.796 -2.760 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.388 -1.132 1.103 1.00 0.00 H new ATOM 446 N THR A 152 7.145 -3.297 0.135 1.00 0.00 N ATOM 447 CA THR A 152 8.475 -3.816 -0.166 1.00 0.00 C ATOM 448 C THR A 152 9.049 -3.161 -1.421 1.00 0.00 C ATOM 449 O THR A 152 9.883 -3.746 -2.110 1.00 0.00 O ATOM 450 CB THR A 152 8.422 -5.333 -0.352 1.00 0.00 C ATOM 451 OG1 THR A 152 7.830 -5.666 -1.595 1.00 0.00 O ATOM 452 CG2 THR A 152 7.640 -6.042 0.733 1.00 0.00 C ATOM 0 H THR A 152 6.449 -3.477 -0.588 1.00 0.00 H new ATOM 0 HA THR A 152 9.126 -3.579 0.675 1.00 0.00 H new ATOM 0 HB THR A 152 9.459 -5.665 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.807 -6.641 -1.696 1.00 0.00 H new ATOM 0 HG21 THR A 152 7.642 -7.115 0.541 1.00 0.00 H new ATOM 0 HG22 THR A 152 8.101 -5.846 1.701 1.00 0.00 H new ATOM 0 HG23 THR A 152 6.613 -5.676 0.740 1.00 0.00 H new ATOM 460 N GLY A 153 8.594 -1.946 -1.713 1.00 0.00 N ATOM 461 CA GLY A 153 9.074 -1.239 -2.886 1.00 0.00 C ATOM 462 C GLY A 153 10.428 -0.593 -2.667 1.00 0.00 C ATOM 463 O GLY A 153 10.527 0.459 -2.038 1.00 0.00 O ATOM 0 H GLY A 153 7.903 -1.440 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.139 -1.934 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.351 -0.472 -3.164 1.00 0.00 H new ATOM 467 N LYS A 154 11.474 -1.225 -3.193 1.00 0.00 N ATOM 468 CA LYS A 154 12.833 -0.708 -3.058 1.00 0.00 C ATOM 469 C LYS A 154 13.218 -0.548 -1.587 1.00 0.00 C ATOM 470 O LYS A 154 13.851 -1.429 -1.005 1.00 0.00 O ATOM 471 CB LYS A 154 12.965 0.629 -3.791 1.00 0.00 C ATOM 472 CG LYS A 154 12.879 0.504 -5.302 1.00 0.00 C ATOM 473 CD LYS A 154 14.235 0.189 -5.910 1.00 0.00 C ATOM 474 CE LYS A 154 14.592 -1.278 -5.744 1.00 0.00 C ATOM 475 NZ LYS A 154 15.522 -1.749 -6.806 1.00 0.00 N ATOM 0 H LYS A 154 11.406 -2.097 -3.717 1.00 0.00 H new ATOM 0 HA LYS A 154 13.516 -1.428 -3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.181 1.303 -3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 154 13.918 1.087 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 154 12.170 -0.281 -5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 154 12.496 1.433 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 154 14.228 0.445 -6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 154 14.999 0.806 -5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 154 15.050 -1.431 -4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 154 13.682 -1.877 -5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 15.740 -2.755 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 15.076 -1.627 -7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 16.401 -1.195 -6.768 1.00 0.00 H new ATOM 489 N ASN A 155 12.833 0.576 -0.990 1.00 0.00 N ATOM 490 CA ASN A 155 13.140 0.843 0.410 1.00 0.00 C ATOM 491 C ASN A 155 12.027 0.336 1.328 1.00 0.00 C ATOM 492 O ASN A 155 12.116 0.462 2.550 1.00 0.00 O ATOM 493 CB ASN A 155 13.351 2.342 0.629 1.00 0.00 C ATOM 494 CG ASN A 155 12.110 3.154 0.312 1.00 0.00 C ATOM 495 OD1 ASN A 155 11.281 3.407 1.186 1.00 0.00 O ATOM 496 ND2 ASN A 155 11.977 3.566 -0.943 1.00 0.00 N ATOM 0 H ASN A 155 12.308 1.317 -1.455 1.00 0.00 H new ATOM 0 HA ASN A 155 14.058 0.310 0.658 1.00 0.00 H new ATOM 0 HB2 ASN A 155 13.642 2.518 1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.176 2.685 0.004 1.00 0.00 H new ATOM 0 HD21 ASN A 155 11.162 4.116 -1.216 1.00 0.00 H new ATOM 0 HD22 ASN A 155 12.690 3.333 -1.635 1.00 0.00 H new ATOM 503 N GLY A 156 10.982 -0.239 0.737 1.00 0.00 N ATOM 504 CA GLY A 156 9.876 -0.754 1.525 1.00 0.00 C ATOM 505 C GLY A 156 8.605 0.052 1.345 1.00 0.00 C ATOM 506 O GLY A 156 7.752 0.082 2.232 1.00 0.00 O ATOM 0 H GLY A 156 10.882 -0.357 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.687 -1.790 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.155 -0.754 2.579 1.00 0.00 H new ATOM 510 N ARG A 157 8.474 0.708 0.194 1.00 0.00 N ATOM 511 CA ARG A 157 7.293 1.515 -0.091 1.00 0.00 C ATOM 512 C ARG A 157 6.146 0.645 -0.598 1.00 0.00 C ATOM 513 O ARG A 157 6.337 -0.203 -1.470 1.00 0.00 O ATOM 514 CB ARG A 157 7.625 2.605 -1.117 1.00 0.00 C ATOM 515 CG ARG A 157 7.777 2.089 -2.540 1.00 0.00 C ATOM 516 CD ARG A 157 7.947 3.229 -3.530 1.00 0.00 C ATOM 517 NE ARG A 157 9.311 3.752 -3.535 1.00 0.00 N ATOM 518 CZ ARG A 157 9.807 4.518 -4.503 1.00 0.00 C ATOM 519 NH1 ARG A 157 9.057 4.855 -5.544 1.00 0.00 N ATOM 520 NH2 ARG A 157 11.059 4.951 -4.430 1.00 0.00 N ATOM 0 H ARG A 157 9.169 0.696 -0.553 1.00 0.00 H new ATOM 0 HA ARG A 157 6.976 1.990 0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 157 6.839 3.360 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.550 3.100 -0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 157 8.639 1.424 -2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.901 1.499 -2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.688 2.882 -4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.252 4.031 -3.282 1.00 0.00 H new ATOM 0 HE ARG A 157 9.919 3.516 -2.750 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.093 4.527 -5.606 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.444 5.443 -6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 157 11.641 4.697 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 157 11.440 5.538 -5.172 1.00 0.00 H new ATOM 534 N VAL A 158 4.956 0.859 -0.047 1.00 0.00 N ATOM 535 CA VAL A 158 3.781 0.093 -0.445 1.00 0.00 C ATOM 536 C VAL A 158 3.365 0.427 -1.873 1.00 0.00 C ATOM 537 O VAL A 158 3.115 1.586 -2.203 1.00 0.00 O ATOM 538 CB VAL A 158 2.587 0.355 0.494 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.510 -0.699 0.294 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.042 0.396 1.946 1.00 0.00 C ATOM 0 H VAL A 158 4.780 1.556 0.676 1.00 0.00 H new ATOM 0 HA VAL A 158 4.059 -0.959 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 158 2.162 1.328 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.675 -0.498 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.161 -0.671 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.921 -1.685 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.183 0.582 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.496 -0.559 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 158 3.773 1.194 2.076 1.00 0.00 H new ATOM 550 N LEU A 159 3.287 -0.598 -2.714 1.00 0.00 N ATOM 551 CA LEU A 159 2.895 -0.417 -4.107 1.00 0.00 C ATOM 552 C LEU A 159 1.566 -1.111 -4.384 1.00 0.00 C ATOM 553 O LEU A 159 1.066 -1.867 -3.552 1.00 0.00 O ATOM 554 CB LEU A 159 3.974 -0.968 -5.043 1.00 0.00 C ATOM 555 CG LEU A 159 5.415 -0.735 -4.586 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.332 -1.808 -5.151 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.888 0.649 -5.005 1.00 0.00 C ATOM 0 H LEU A 159 3.490 -1.564 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 159 2.779 0.651 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.816 -2.040 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.844 -0.516 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 159 5.447 -0.794 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.353 -1.627 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 159 6.004 -2.787 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.297 -1.780 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.915 0.799 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.842 0.736 -6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.246 1.405 -4.553 1.00 0.00 H new ATOM 569 N LYS A 160 0.997 -0.854 -5.560 1.00 0.00 N ATOM 570 CA LYS A 160 -0.275 -1.460 -5.942 1.00 0.00 C ATOM 571 C LYS A 160 -0.244 -2.969 -5.711 1.00 0.00 C ATOM 572 O LYS A 160 -1.263 -3.582 -5.390 1.00 0.00 O ATOM 573 CB LYS A 160 -0.589 -1.160 -7.409 1.00 0.00 C ATOM 574 CG LYS A 160 -2.046 -0.804 -7.657 1.00 0.00 C ATOM 575 CD LYS A 160 -2.636 -1.615 -8.800 1.00 0.00 C ATOM 576 CE LYS A 160 -2.594 -3.106 -8.505 1.00 0.00 C ATOM 577 NZ LYS A 160 -3.755 -3.823 -9.100 1.00 0.00 N ATOM 0 H LYS A 160 1.396 -0.232 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.059 -1.029 -5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.040 -0.336 -7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.328 -2.029 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.623 -0.981 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.127 0.259 -7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -3.667 -1.306 -8.972 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -2.084 -1.409 -9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -1.668 -3.527 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.585 -3.262 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.864 -4.749 -8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -4.619 -3.262 -8.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -3.594 -3.959 -10.118 1.00 0.00 H new ATOM 591 N GLU A 161 0.936 -3.558 -5.870 1.00 0.00 N ATOM 592 CA GLU A 161 1.109 -4.992 -5.673 1.00 0.00 C ATOM 593 C GLU A 161 0.993 -5.349 -4.196 1.00 0.00 C ATOM 594 O GLU A 161 0.385 -6.357 -3.835 1.00 0.00 O ATOM 595 CB GLU A 161 2.466 -5.443 -6.217 1.00 0.00 C ATOM 596 CG GLU A 161 2.717 -6.934 -6.065 1.00 0.00 C ATOM 597 CD GLU A 161 4.132 -7.329 -6.444 1.00 0.00 C ATOM 598 OE1 GLU A 161 4.790 -6.553 -7.168 1.00 0.00 O ATOM 599 OE2 GLU A 161 4.580 -8.413 -6.016 1.00 0.00 O ATOM 0 H GLU A 161 1.788 -3.064 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 161 0.320 -5.510 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 161 2.531 -5.178 -7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 161 3.255 -4.896 -5.701 1.00 0.00 H new ATOM 0 HG2 GLU A 161 2.526 -7.227 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 161 2.011 -7.483 -6.688 1.00 0.00 H new ATOM 606 N ASP A 162 1.579 -4.513 -3.343 1.00 0.00 N ATOM 607 CA ASP A 162 1.538 -4.740 -1.903 1.00 0.00 C ATOM 608 C ASP A 162 0.102 -4.714 -1.398 1.00 0.00 C ATOM 609 O ASP A 162 -0.339 -5.631 -0.705 1.00 0.00 O ATOM 610 CB ASP A 162 2.373 -3.686 -1.174 1.00 0.00 C ATOM 611 CG ASP A 162 3.863 -3.902 -1.355 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.289 -5.073 -1.425 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.604 -2.898 -1.428 1.00 0.00 O ATOM 0 H ASP A 162 2.087 -3.674 -3.624 1.00 0.00 H new ATOM 0 HA ASP A 162 1.960 -5.724 -1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.105 -2.696 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.132 -3.707 -0.111 1.00 0.00 H new ATOM 618 N ILE A 163 -0.630 -3.663 -1.756 1.00 0.00 N ATOM 619 CA ILE A 163 -2.020 -3.532 -1.342 1.00 0.00 C ATOM 620 C ILE A 163 -2.834 -4.725 -1.828 1.00 0.00 C ATOM 621 O ILE A 163 -3.515 -5.385 -1.045 1.00 0.00 O ATOM 622 CB ILE A 163 -2.657 -2.234 -1.877 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.787 -1.026 -1.519 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.062 -2.062 -1.318 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.598 -0.840 -0.029 1.00 0.00 C ATOM 0 H ILE A 163 -0.284 -2.894 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.028 -3.497 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.724 -2.303 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.811 -1.139 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.240 -0.126 -1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.498 -1.141 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.679 -2.909 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -4.017 -2.012 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -0.972 0.034 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.569 -0.695 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.117 -1.724 0.390 1.00 0.00 H new ATOM 637 N ASP A 164 -2.742 -5.007 -3.127 1.00 0.00 N ATOM 638 CA ASP A 164 -3.459 -6.132 -3.715 1.00 0.00 C ATOM 639 C ASP A 164 -3.144 -7.417 -2.958 1.00 0.00 C ATOM 640 O ASP A 164 -4.001 -8.290 -2.807 1.00 0.00 O ATOM 641 CB ASP A 164 -3.086 -6.287 -5.191 1.00 0.00 C ATOM 642 CG ASP A 164 -4.056 -5.573 -6.111 1.00 0.00 C ATOM 643 OD1 ASP A 164 -4.282 -4.361 -5.909 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.591 -6.224 -7.032 1.00 0.00 O ATOM 0 H ASP A 164 -2.179 -4.472 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.529 -5.936 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.082 -5.895 -5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -3.060 -7.346 -5.447 1.00 0.00 H new ATOM 649 N ALA A 165 -1.911 -7.518 -2.470 1.00 0.00 N ATOM 650 CA ALA A 165 -1.486 -8.687 -1.713 1.00 0.00 C ATOM 651 C ALA A 165 -2.072 -8.646 -0.309 1.00 0.00 C ATOM 652 O ALA A 165 -2.378 -9.682 0.282 1.00 0.00 O ATOM 653 CB ALA A 165 0.033 -8.757 -1.655 1.00 0.00 C ATOM 0 H ALA A 165 -1.191 -6.805 -2.586 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.853 -9.582 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.335 -9.636 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.433 -8.825 -2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.420 -7.861 -1.171 1.00 0.00 H new ATOM 659 N PHE A 166 -2.236 -7.435 0.212 1.00 0.00 N ATOM 660 CA PHE A 166 -2.796 -7.239 1.541 1.00 0.00 C ATOM 661 C PHE A 166 -4.240 -7.726 1.589 1.00 0.00 C ATOM 662 O PHE A 166 -4.683 -8.295 2.588 1.00 0.00 O ATOM 663 CB PHE A 166 -2.729 -5.759 1.922 1.00 0.00 C ATOM 664 CG PHE A 166 -3.319 -5.456 3.267 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.692 -5.395 3.438 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.499 -5.235 4.361 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.238 -5.119 4.676 1.00 0.00 C ATOM 668 CE2 PHE A 166 -3.038 -4.956 5.602 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.409 -4.899 5.760 1.00 0.00 C ATOM 0 H PHE A 166 -1.987 -6.571 -0.270 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.211 -7.818 2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.688 -5.437 1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.252 -5.174 1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.343 -5.565 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.427 -5.281 4.243 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.310 -5.075 4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.388 -4.783 6.447 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.833 -4.683 6.730 1.00 0.00 H new ATOM 679 N LEU A 167 -4.969 -7.496 0.501 1.00 0.00 N ATOM 680 CA LEU A 167 -6.362 -7.904 0.410 1.00 0.00 C ATOM 681 C LEU A 167 -6.480 -9.349 -0.071 1.00 0.00 C ATOM 682 O LEU A 167 -7.449 -10.039 0.244 1.00 0.00 O ATOM 683 CB LEU A 167 -7.110 -6.976 -0.545 1.00 0.00 C ATOM 684 CG LEU A 167 -7.331 -5.549 -0.033 1.00 0.00 C ATOM 685 CD1 LEU A 167 -7.927 -5.564 1.368 1.00 0.00 C ATOM 686 CD2 LEU A 167 -6.027 -4.768 -0.059 1.00 0.00 C ATOM 0 H LEU A 167 -4.614 -7.027 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.805 -7.838 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.558 -6.926 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.081 -7.418 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.041 -5.052 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -8.075 -4.540 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -8.885 -6.083 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.248 -6.079 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -6.201 -3.756 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -5.294 -5.263 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -5.650 -4.724 -1.081 1.00 0.00 H new ATOM 698 N ALA A 168 -5.490 -9.800 -0.837 1.00 0.00 N ATOM 699 CA ALA A 168 -5.489 -11.161 -1.361 1.00 0.00 C ATOM 700 C ALA A 168 -4.725 -12.111 -0.443 1.00 0.00 C ATOM 701 O ALA A 168 -4.128 -13.085 -0.901 1.00 0.00 O ATOM 702 CB ALA A 168 -4.892 -11.185 -2.760 1.00 0.00 C ATOM 0 H ALA A 168 -4.680 -9.243 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.523 -11.503 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -4.897 -12.207 -3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.484 -10.550 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -3.867 -10.816 -2.725 1.00 0.00 H new ATOM 708 N GLY A 169 -4.748 -11.824 0.856 1.00 0.00 N ATOM 709 CA GLY A 169 -4.054 -12.666 1.813 1.00 0.00 C ATOM 710 C GLY A 169 -2.680 -12.131 2.166 1.00 0.00 C ATOM 711 O GLY A 169 -1.678 -12.830 2.018 1.00 0.00 O ATOM 0 H GLY A 169 -5.234 -11.024 1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 169 -4.652 -12.749 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 169 -3.955 -13.671 1.403 1.00 0.00 H new ATOM 715 N GLY A 170 -2.634 -10.888 2.635 1.00 0.00 N ATOM 716 CA GLY A 170 -1.368 -10.282 3.003 1.00 0.00 C ATOM 717 C GLY A 170 -1.409 -9.641 4.376 1.00 0.00 C ATOM 718 O GLY A 170 -2.027 -8.564 4.511 1.00 0.00 O ATOM 719 OXT GLY A 170 -0.825 -10.217 5.318 1.00 0.00 O ATOM 0 H GLY A 170 -3.450 -10.290 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 170 -0.586 -11.041 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 170 -1.100 -9.529 2.262 1.00 0.00 H new TER 723 GLY A 170