USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 359 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 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc=-0.00814 K(o=-0.0081,f=0.69) USER MOD Single : A 127 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.021) USER MOD Single : A 128 ASN : amide:sc= -0.0341 K(o=-0.034,f=-0.79) USER MOD Single : A 132 SER OG : rot 180:sc= -1.1 USER MOD Single : A 143 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.44) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot -65:sc= 0.0858 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-1.6) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 124 -9.153 -1.503 16.846 1.00 0.00 N ATOM 2 CA GLY A 124 -8.113 -1.713 15.802 1.00 0.00 C ATOM 3 C GLY A 124 -8.367 -2.956 14.971 1.00 0.00 C ATOM 4 O GLY A 124 -9.398 -3.610 15.122 1.00 0.00 O ATOM 0 HA2 GLY A 124 -8.079 -0.842 15.147 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -7.136 -1.792 16.278 1.00 0.00 H new ATOM 10 N SER A 125 -7.424 -3.282 14.094 1.00 0.00 N ATOM 11 CA SER A 125 -7.550 -4.455 13.236 1.00 0.00 C ATOM 12 C SER A 125 -6.263 -5.274 13.243 1.00 0.00 C ATOM 13 O SER A 125 -5.177 -4.741 13.473 1.00 0.00 O ATOM 14 CB SER A 125 -7.892 -4.033 11.806 1.00 0.00 C ATOM 15 OG SER A 125 -8.526 -2.765 11.787 1.00 0.00 O ATOM 0 H SER A 125 -6.564 -2.751 13.958 1.00 0.00 H new ATOM 0 HA SER A 125 -8.357 -5.075 13.627 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.982 -3.998 11.206 1.00 0.00 H new ATOM 0 HB3 SER A 125 -8.545 -4.777 11.350 1.00 0.00 H new ATOM 0 HG SER A 125 -8.733 -2.517 10.862 1.00 0.00 H new ATOM 21 N GLN A 126 -6.392 -6.573 12.990 1.00 0.00 N ATOM 22 CA GLN A 126 -5.239 -7.465 12.967 1.00 0.00 C ATOM 23 C GLN A 126 -5.576 -8.768 12.248 1.00 0.00 C ATOM 24 O GLN A 126 -5.034 -9.825 12.573 1.00 0.00 O ATOM 25 CB GLN A 126 -4.766 -7.756 14.393 1.00 0.00 C ATOM 26 CG GLN A 126 -3.332 -7.328 14.658 1.00 0.00 C ATOM 27 CD GLN A 126 -2.364 -8.495 14.654 1.00 0.00 C ATOM 28 OE1 GLN A 126 -2.536 -9.457 13.903 1.00 0.00 O ATOM 29 NE2 GLN A 126 -1.340 -8.417 15.495 1.00 0.00 N ATOM 0 H GLN A 126 -7.283 -7.031 12.798 1.00 0.00 H new ATOM 0 HA GLN A 126 -4.435 -6.970 12.422 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -5.424 -7.246 15.096 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -4.859 -8.825 14.587 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.027 -6.605 13.901 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -3.280 -6.821 15.622 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -1.237 -7.601 16.099 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -0.656 -9.173 15.537 1.00 0.00 H new ATOM 38 N ASN A 127 -6.471 -8.685 11.270 1.00 0.00 N ATOM 39 CA ASN A 127 -6.880 -9.856 10.504 1.00 0.00 C ATOM 40 C ASN A 127 -6.972 -9.530 9.019 1.00 0.00 C ATOM 41 O ASN A 127 -7.025 -8.362 8.632 1.00 0.00 O ATOM 42 CB ASN A 127 -8.228 -10.376 11.008 1.00 0.00 C ATOM 43 CG ASN A 127 -9.308 -9.314 10.973 1.00 0.00 C ATOM 44 OD1 ASN A 127 -10.163 -9.310 10.087 1.00 0.00 O ATOM 45 ND2 ASN A 127 -9.275 -8.403 11.939 1.00 0.00 N ATOM 0 H ASN A 127 -6.928 -7.817 10.989 1.00 0.00 H new ATOM 0 HA ASN A 127 -6.125 -10.630 10.641 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -8.538 -11.225 10.398 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.115 -10.741 12.029 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -9.976 -7.663 11.966 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -8.548 -8.444 12.654 1.00 0.00 H new ATOM 52 N ASN A 128 -6.989 -10.567 8.189 1.00 0.00 N ATOM 53 CA ASN A 128 -7.074 -10.390 6.744 1.00 0.00 C ATOM 54 C ASN A 128 -5.884 -9.591 6.223 1.00 0.00 C ATOM 55 O ASN A 128 -5.113 -9.029 7.001 1.00 0.00 O ATOM 56 CB ASN A 128 -8.380 -9.686 6.371 1.00 0.00 C ATOM 57 CG ASN A 128 -9.557 -10.640 6.323 1.00 0.00 C ATOM 58 OD1 ASN A 128 -9.444 -11.761 5.825 1.00 0.00 O ATOM 59 ND2 ASN A 128 -10.698 -10.199 6.840 1.00 0.00 N ATOM 0 H ASN A 128 -6.945 -11.540 8.492 1.00 0.00 H new ATOM 0 HA ASN A 128 -7.057 -11.376 6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -8.584 -8.897 7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -8.266 -9.205 5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -11.525 -10.796 6.834 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -10.747 -9.263 7.243 1.00 0.00 H new ATOM 66 N ASP A 129 -5.740 -9.546 4.902 1.00 0.00 N ATOM 67 CA ASP A 129 -4.643 -8.816 4.278 1.00 0.00 C ATOM 68 C ASP A 129 -5.133 -7.506 3.670 1.00 0.00 C ATOM 69 O ASP A 129 -6.145 -7.476 2.969 1.00 0.00 O ATOM 70 CB ASP A 129 -3.982 -9.676 3.198 1.00 0.00 C ATOM 71 CG ASP A 129 -3.476 -10.998 3.741 1.00 0.00 C ATOM 72 OD1 ASP A 129 -3.942 -11.412 4.825 1.00 0.00 O ATOM 73 OD2 ASP A 129 -2.615 -11.619 3.084 1.00 0.00 O ATOM 0 H ASP A 129 -6.369 -10.006 4.244 1.00 0.00 H new ATOM 0 HA ASP A 129 -3.910 -8.583 5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.699 -9.865 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -3.151 -9.125 2.757 1.00 0.00 H new ATOM 78 N ALA A 130 -4.411 -6.424 3.944 1.00 0.00 N ATOM 79 CA ALA A 130 -4.772 -5.111 3.424 1.00 0.00 C ATOM 80 C ALA A 130 -3.873 -4.702 2.256 1.00 0.00 C ATOM 81 O ALA A 130 -3.928 -3.563 1.789 1.00 0.00 O ATOM 82 CB ALA A 130 -4.700 -4.071 4.533 1.00 0.00 C ATOM 0 H ALA A 130 -3.572 -6.431 4.524 1.00 0.00 H new ATOM 0 HA ALA A 130 -5.795 -5.169 3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -4.972 -3.094 4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -5.391 -4.342 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -3.685 -4.032 4.930 1.00 0.00 H new ATOM 88 N LEU A 131 -3.044 -5.634 1.789 1.00 0.00 N ATOM 89 CA LEU A 131 -2.137 -5.359 0.680 1.00 0.00 C ATOM 90 C LEU A 131 -2.161 -6.480 -0.349 1.00 0.00 C ATOM 91 O LEU A 131 -2.692 -7.562 -0.100 1.00 0.00 O ATOM 92 CB LEU A 131 -0.705 -5.187 1.188 1.00 0.00 C ATOM 93 CG LEU A 131 -0.478 -4.051 2.185 1.00 0.00 C ATOM 94 CD1 LEU A 131 -1.162 -2.772 1.724 1.00 0.00 C ATOM 95 CD2 LEU A 131 -0.960 -4.453 3.572 1.00 0.00 C ATOM 0 H LEU A 131 -2.983 -6.582 2.161 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.476 -4.437 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.392 -6.121 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -0.053 -5.025 0.329 1.00 0.00 H new ATOM 0 HG LEU A 131 0.593 -3.856 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.984 -1.981 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.759 -2.472 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -2.234 -2.946 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.790 -3.632 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.025 -4.683 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.410 -5.333 3.907 1.00 0.00 H new ATOM 107 N SER A 132 -1.553 -6.215 -1.500 1.00 0.00 N ATOM 108 CA SER A 132 -1.468 -7.195 -2.570 1.00 0.00 C ATOM 109 C SER A 132 -0.027 -7.681 -2.707 1.00 0.00 C ATOM 110 O SER A 132 0.889 -7.076 -2.152 1.00 0.00 O ATOM 111 CB SER A 132 -1.950 -6.592 -3.891 1.00 0.00 C ATOM 112 OG SER A 132 -1.871 -5.177 -3.865 1.00 0.00 O ATOM 0 H SER A 132 -1.109 -5.322 -1.714 1.00 0.00 H new ATOM 0 HA SER A 132 -2.111 -8.041 -2.325 1.00 0.00 H new ATOM 0 HB2 SER A 132 -1.346 -6.978 -4.712 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.979 -6.898 -4.080 1.00 0.00 H new ATOM 0 HG SER A 132 -2.183 -4.816 -4.721 1.00 0.00 H new ATOM 118 N PRO A 133 0.199 -8.780 -3.443 1.00 0.00 N ATOM 119 CA PRO A 133 1.545 -9.327 -3.632 1.00 0.00 C ATOM 120 C PRO A 133 2.546 -8.263 -4.064 1.00 0.00 C ATOM 121 O PRO A 133 3.702 -8.277 -3.640 1.00 0.00 O ATOM 122 CB PRO A 133 1.352 -10.368 -4.736 1.00 0.00 C ATOM 123 CG PRO A 133 -0.073 -10.787 -4.615 1.00 0.00 C ATOM 124 CD PRO A 133 -0.829 -9.572 -4.143 1.00 0.00 C ATOM 0 HA PRO A 133 1.953 -9.739 -2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 133 1.559 -9.945 -5.719 1.00 0.00 H new ATOM 0 HB3 PRO A 133 2.026 -11.214 -4.605 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -0.458 -11.138 -5.572 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -0.178 -11.610 -3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -1.263 -9.020 -4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -1.649 -9.842 -3.478 1.00 0.00 H new ATOM 132 N ALA A 134 2.097 -7.337 -4.903 1.00 0.00 N ATOM 133 CA ALA A 134 2.958 -6.265 -5.378 1.00 0.00 C ATOM 134 C ALA A 134 3.242 -5.266 -4.265 1.00 0.00 C ATOM 135 O ALA A 134 4.369 -4.794 -4.114 1.00 0.00 O ATOM 136 CB ALA A 134 2.328 -5.566 -6.574 1.00 0.00 C ATOM 0 H ALA A 134 1.144 -7.308 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 134 3.905 -6.703 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.986 -4.767 -6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 134 2.181 -6.285 -7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 134 1.366 -5.145 -6.284 1.00 0.00 H new ATOM 142 N ILE A 135 2.218 -4.955 -3.477 1.00 0.00 N ATOM 143 CA ILE A 135 2.373 -4.021 -2.372 1.00 0.00 C ATOM 144 C ILE A 135 3.213 -4.630 -1.267 1.00 0.00 C ATOM 145 O ILE A 135 3.925 -3.922 -0.565 1.00 0.00 O ATOM 146 CB ILE A 135 1.023 -3.597 -1.771 1.00 0.00 C ATOM 147 CG1 ILE A 135 0.063 -3.138 -2.870 1.00 0.00 C ATOM 148 CG2 ILE A 135 1.235 -2.496 -0.742 1.00 0.00 C ATOM 149 CD1 ILE A 135 0.513 -1.880 -3.580 1.00 0.00 C ATOM 0 H ILE A 135 1.277 -5.335 -3.583 1.00 0.00 H new ATOM 0 HA ILE A 135 2.866 -3.141 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 135 0.575 -4.457 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.048 -3.938 -3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -0.921 -2.967 -2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.274 -2.201 -0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.883 -2.862 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.700 -1.635 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -0.216 -1.614 -4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 135 0.596 -1.066 -2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 135 1.483 -2.053 -4.046 1.00 0.00 H new ATOM 161 N ARG A 136 3.131 -5.946 -1.110 1.00 0.00 N ATOM 162 CA ARG A 136 3.909 -6.616 -0.081 1.00 0.00 C ATOM 163 C ARG A 136 5.390 -6.504 -0.413 1.00 0.00 C ATOM 164 O ARG A 136 6.219 -6.212 0.454 1.00 0.00 O ATOM 165 CB ARG A 136 3.497 -8.086 0.039 1.00 0.00 C ATOM 166 CG ARG A 136 2.709 -8.394 1.303 1.00 0.00 C ATOM 167 CD ARG A 136 1.486 -9.246 1.007 1.00 0.00 C ATOM 168 NE ARG A 136 0.639 -9.415 2.186 1.00 0.00 N ATOM 169 CZ ARG A 136 0.894 -10.279 3.164 1.00 0.00 C ATOM 170 NH1 ARG A 136 1.971 -11.053 3.111 1.00 0.00 N ATOM 171 NH2 ARG A 136 0.071 -10.370 4.199 1.00 0.00 N ATOM 0 H ARG A 136 2.543 -6.560 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 136 3.718 -6.135 0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.897 -8.359 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 136 4.391 -8.709 0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.351 -8.913 2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 136 2.398 -7.462 1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.907 -8.784 0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.804 -10.224 0.646 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.197 -8.836 2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 136 2.608 -10.987 2.317 1.00 0.00 H new ATOM 0 HH12 ARG A 136 2.162 -11.714 3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.758 -9.777 4.245 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.266 -11.033 4.949 1.00 0.00 H new ATOM 185 N ARG A 137 5.714 -6.697 -1.689 1.00 0.00 N ATOM 186 CA ARG A 137 7.088 -6.582 -2.141 1.00 0.00 C ATOM 187 C ARG A 137 7.542 -5.140 -1.993 1.00 0.00 C ATOM 188 O ARG A 137 8.588 -4.859 -1.415 1.00 0.00 O ATOM 189 CB ARG A 137 7.215 -7.035 -3.598 1.00 0.00 C ATOM 190 CG ARG A 137 8.124 -8.240 -3.782 1.00 0.00 C ATOM 191 CD ARG A 137 7.785 -9.004 -5.050 1.00 0.00 C ATOM 192 NE ARG A 137 8.579 -10.224 -5.184 1.00 0.00 N ATOM 193 CZ ARG A 137 8.447 -11.088 -6.187 1.00 0.00 C ATOM 194 NH1 ARG A 137 7.556 -10.872 -7.146 1.00 0.00 N ATOM 195 NH2 ARG A 137 9.210 -12.172 -6.232 1.00 0.00 N ATOM 0 H ARG A 137 5.044 -6.932 -2.421 1.00 0.00 H new ATOM 0 HA ARG A 137 7.722 -7.226 -1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 137 6.224 -7.275 -3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 137 7.597 -6.207 -4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 137 9.163 -7.911 -3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 137 8.031 -8.902 -2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.725 -9.260 -5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.956 -8.364 -5.915 1.00 0.00 H new ATOM 0 HE ARG A 137 9.275 -10.425 -4.466 1.00 0.00 H new ATOM 0 HH11 ARG A 137 6.967 -10.040 -7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 137 7.460 -11.538 -7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 137 9.897 -12.343 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 137 9.109 -12.835 -7.001 1.00 0.00 H new ATOM 209 N LEU A 138 6.721 -4.230 -2.501 1.00 0.00 N ATOM 210 CA LEU A 138 7.006 -2.804 -2.418 1.00 0.00 C ATOM 211 C LEU A 138 7.191 -2.387 -0.968 1.00 0.00 C ATOM 212 O LEU A 138 8.098 -1.632 -0.636 1.00 0.00 O ATOM 213 CB LEU A 138 5.862 -2.001 -3.043 1.00 0.00 C ATOM 214 CG LEU A 138 6.039 -1.667 -4.527 1.00 0.00 C ATOM 215 CD1 LEU A 138 5.001 -2.396 -5.368 1.00 0.00 C ATOM 216 CD2 LEU A 138 5.951 -0.163 -4.753 1.00 0.00 C ATOM 0 H LEU A 138 5.848 -4.456 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 138 7.926 -2.602 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.936 -2.562 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 138 5.747 -1.070 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 138 7.029 -2.003 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 138 5.143 -2.146 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 138 5.113 -3.472 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 138 4.002 -2.093 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.079 0.054 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 138 4.976 0.198 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.734 0.337 -4.183 1.00 0.00 H new ATOM 228 N LEU A 139 6.321 -2.892 -0.110 1.00 0.00 N ATOM 229 CA LEU A 139 6.374 -2.584 1.311 1.00 0.00 C ATOM 230 C LEU A 139 7.710 -3.005 1.902 1.00 0.00 C ATOM 231 O LEU A 139 8.274 -2.308 2.747 1.00 0.00 O ATOM 232 CB LEU A 139 5.225 -3.287 2.048 1.00 0.00 C ATOM 233 CG LEU A 139 3.902 -2.521 2.105 1.00 0.00 C ATOM 234 CD1 LEU A 139 2.971 -3.145 3.133 1.00 0.00 C ATOM 235 CD2 LEU A 139 4.131 -1.049 2.420 1.00 0.00 C ATOM 0 H LEU A 139 5.564 -3.522 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 139 6.267 -1.506 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 139 5.046 -4.249 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 139 5.547 -3.495 3.068 1.00 0.00 H new ATOM 0 HG LEU A 139 3.434 -2.586 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.034 -2.588 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 139 2.769 -4.181 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 139 3.441 -3.114 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.173 -0.531 2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 139 4.628 -0.957 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.757 -0.604 1.646 1.00 0.00 H new ATOM 247 N ALA A 140 8.211 -4.153 1.455 1.00 0.00 N ATOM 248 CA ALA A 140 9.483 -4.673 1.945 1.00 0.00 C ATOM 249 C ALA A 140 10.668 -3.859 1.431 1.00 0.00 C ATOM 250 O ALA A 140 11.549 -3.480 2.203 1.00 0.00 O ATOM 251 CB ALA A 140 9.640 -6.136 1.562 1.00 0.00 C ATOM 0 H ALA A 140 7.756 -4.740 0.756 1.00 0.00 H new ATOM 0 HA ALA A 140 9.474 -4.588 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 140 10.594 -6.509 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 140 8.827 -6.716 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 140 9.611 -6.233 0.477 1.00 0.00 H new ATOM 257 N GLU A 141 10.691 -3.595 0.131 1.00 0.00 N ATOM 258 CA GLU A 141 11.778 -2.826 -0.468 1.00 0.00 C ATOM 259 C GLU A 141 11.653 -1.355 -0.107 1.00 0.00 C ATOM 260 O GLU A 141 12.641 -0.688 0.200 1.00 0.00 O ATOM 261 CB GLU A 141 11.791 -2.982 -1.992 1.00 0.00 C ATOM 262 CG GLU A 141 11.422 -4.373 -2.471 1.00 0.00 C ATOM 263 CD GLU A 141 12.210 -5.464 -1.773 1.00 0.00 C ATOM 264 OE1 GLU A 141 13.354 -5.734 -2.198 1.00 0.00 O ATOM 265 OE2 GLU A 141 11.685 -6.048 -0.803 1.00 0.00 O ATOM 0 H GLU A 141 9.974 -3.900 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 141 12.715 -3.215 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 141 11.097 -2.263 -2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 141 12.784 -2.732 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.357 -4.538 -2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 141 11.592 -4.439 -3.546 1.00 0.00 H new ATOM 272 N TRP A 142 10.424 -0.861 -0.146 1.00 0.00 N ATOM 273 CA TRP A 142 10.147 0.533 0.176 1.00 0.00 C ATOM 274 C TRP A 142 10.007 0.728 1.687 1.00 0.00 C ATOM 275 O TRP A 142 9.963 1.861 2.169 1.00 0.00 O ATOM 276 CB TRP A 142 8.871 0.998 -0.533 1.00 0.00 C ATOM 277 CG TRP A 142 8.971 0.959 -2.029 1.00 0.00 C ATOM 278 CD1 TRP A 142 9.148 -0.145 -2.813 1.00 0.00 C ATOM 279 CD2 TRP A 142 8.901 2.077 -2.920 1.00 0.00 C ATOM 280 NE1 TRP A 142 9.193 0.219 -4.138 1.00 0.00 N ATOM 281 CE2 TRP A 142 9.043 1.578 -4.229 1.00 0.00 C ATOM 282 CE3 TRP A 142 8.730 3.452 -2.739 1.00 0.00 C ATOM 283 CZ2 TRP A 142 9.019 2.406 -5.349 1.00 0.00 C ATOM 284 CZ3 TRP A 142 8.708 4.273 -3.851 1.00 0.00 C ATOM 285 CH2 TRP A 142 8.851 3.748 -5.141 1.00 0.00 C ATOM 0 H TRP A 142 9.600 -1.406 -0.398 1.00 0.00 H new ATOM 0 HA TRP A 142 10.987 1.134 -0.172 1.00 0.00 H new ATOM 0 HB2 TRP A 142 8.039 0.370 -0.216 1.00 0.00 H new ATOM 0 HB3 TRP A 142 8.640 2.016 -0.218 1.00 0.00 H new ATOM 0 HD1 TRP A 142 9.239 -1.157 -2.446 1.00 0.00 H new ATOM 0 HE1 TRP A 142 9.318 -0.418 -4.925 1.00 0.00 H new ATOM 0 HE3 TRP A 142 8.617 3.866 -1.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 9.129 2.003 -6.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 8.578 5.337 -3.722 1.00 0.00 H new ATOM 0 HH2 TRP A 142 8.828 4.416 -5.989 1.00 0.00 H new ATOM 296 N ASN A 143 9.941 -0.377 2.433 1.00 0.00 N ATOM 297 CA ASN A 143 9.809 -0.312 3.886 1.00 0.00 C ATOM 298 C ASN A 143 8.675 0.625 4.291 1.00 0.00 C ATOM 299 O ASN A 143 8.877 1.576 5.048 1.00 0.00 O ATOM 300 CB ASN A 143 11.126 0.153 4.516 1.00 0.00 C ATOM 301 CG ASN A 143 12.014 -1.008 4.919 1.00 0.00 C ATOM 302 OD1 ASN A 143 12.296 -1.208 6.100 1.00 0.00 O ATOM 303 ND2 ASN A 143 12.459 -1.782 3.935 1.00 0.00 N ATOM 0 H ASN A 143 9.977 -1.323 2.054 1.00 0.00 H new ATOM 0 HA ASN A 143 9.572 -1.312 4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 143 11.660 0.787 3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 143 10.911 0.764 5.393 1.00 0.00 H new ATOM 0 HD21 ASN A 143 13.060 -2.579 4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 143 12.200 -1.579 2.970 1.00 0.00 H new ATOM 310 N LEU A 144 7.480 0.352 3.780 1.00 0.00 N ATOM 311 CA LEU A 144 6.313 1.172 4.086 1.00 0.00 C ATOM 312 C LEU A 144 5.364 0.441 5.029 1.00 0.00 C ATOM 313 O LEU A 144 5.375 -0.787 5.109 1.00 0.00 O ATOM 314 CB LEU A 144 5.580 1.555 2.798 1.00 0.00 C ATOM 315 CG LEU A 144 6.007 2.888 2.182 1.00 0.00 C ATOM 316 CD1 LEU A 144 5.208 3.173 0.921 1.00 0.00 C ATOM 317 CD2 LEU A 144 5.839 4.017 3.189 1.00 0.00 C ATOM 0 H LEU A 144 7.293 -0.430 3.152 1.00 0.00 H new ATOM 0 HA LEU A 144 6.658 2.079 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.734 0.766 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 144 4.510 1.594 3.004 1.00 0.00 H new ATOM 0 HG LEU A 144 7.061 2.822 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 144 5.525 4.125 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.378 2.378 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 144 4.147 3.221 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 144 6.147 4.959 2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 144 4.793 4.084 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 144 6.456 3.818 4.065 1.00 0.00 H new ATOM 329 N ASP A 145 4.541 1.205 5.741 1.00 0.00 N ATOM 330 CA ASP A 145 3.582 0.631 6.679 1.00 0.00 C ATOM 331 C ASP A 145 2.155 0.826 6.180 1.00 0.00 C ATOM 332 O ASP A 145 1.657 1.950 6.118 1.00 0.00 O ATOM 333 CB ASP A 145 3.745 1.268 8.060 1.00 0.00 C ATOM 334 CG ASP A 145 2.887 0.594 9.111 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.891 -0.654 9.170 1.00 0.00 O ATOM 336 OD2 ASP A 145 2.212 1.314 9.877 1.00 0.00 O ATOM 0 H ASP A 145 4.519 2.223 5.686 1.00 0.00 H new ATOM 0 HA ASP A 145 3.779 -0.438 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 145 4.791 1.215 8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.483 2.324 8.003 1.00 0.00 H new ATOM 341 N ALA A 146 1.503 -0.275 5.823 1.00 0.00 N ATOM 342 CA ALA A 146 0.132 -0.227 5.328 1.00 0.00 C ATOM 343 C ALA A 146 -0.803 0.410 6.351 1.00 0.00 C ATOM 344 O ALA A 146 -1.770 1.080 5.989 1.00 0.00 O ATOM 345 CB ALA A 146 -0.348 -1.625 4.975 1.00 0.00 C ATOM 0 H ALA A 146 1.902 -1.213 5.867 1.00 0.00 H new ATOM 0 HA ALA A 146 0.119 0.391 4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.373 -1.576 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.295 -2.046 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -0.311 -2.257 5.862 1.00 0.00 H new ATOM 351 N SER A 147 -0.508 0.194 7.628 1.00 0.00 N ATOM 352 CA SER A 147 -1.324 0.744 8.706 1.00 0.00 C ATOM 353 C SER A 147 -1.397 2.266 8.617 1.00 0.00 C ATOM 354 O SER A 147 -2.412 2.870 8.964 1.00 0.00 O ATOM 355 CB SER A 147 -0.755 0.328 10.064 1.00 0.00 C ATOM 356 OG SER A 147 -1.388 -0.846 10.544 1.00 0.00 O ATOM 0 H SER A 147 0.290 -0.358 7.943 1.00 0.00 H new ATOM 0 HA SER A 147 -2.333 0.346 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.318 0.156 9.975 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.890 1.137 10.782 1.00 0.00 H new ATOM 0 HG SER A 147 -1.006 -1.092 11.412 1.00 0.00 H new ATOM 362 N ALA A 148 -0.315 2.880 8.150 1.00 0.00 N ATOM 363 CA ALA A 148 -0.259 4.330 8.017 1.00 0.00 C ATOM 364 C ALA A 148 -0.565 4.772 6.586 1.00 0.00 C ATOM 365 O ALA A 148 -0.278 5.905 6.205 1.00 0.00 O ATOM 366 CB ALA A 148 1.105 4.845 8.447 1.00 0.00 C ATOM 0 H ALA A 148 0.534 2.396 7.858 1.00 0.00 H new ATOM 0 HA ALA A 148 -1.022 4.756 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 148 1.134 5.930 8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 148 1.284 4.576 9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 148 1.877 4.400 7.819 1.00 0.00 H new ATOM 372 N ILE A 149 -1.150 3.872 5.799 1.00 0.00 N ATOM 373 CA ILE A 149 -1.493 4.177 4.415 1.00 0.00 C ATOM 374 C ILE A 149 -2.958 3.864 4.132 1.00 0.00 C ATOM 375 O ILE A 149 -3.431 2.761 4.405 1.00 0.00 O ATOM 376 CB ILE A 149 -0.610 3.388 3.428 1.00 0.00 C ATOM 377 CG1 ILE A 149 0.868 3.565 3.775 1.00 0.00 C ATOM 378 CG2 ILE A 149 -0.879 3.837 1.998 1.00 0.00 C ATOM 379 CD1 ILE A 149 1.740 2.418 3.309 1.00 0.00 C ATOM 0 H ILE A 149 -1.395 2.928 6.097 1.00 0.00 H new ATOM 0 HA ILE A 149 -1.317 5.243 4.273 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.859 2.330 3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 149 1.230 4.491 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 149 0.969 3.672 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -0.248 3.270 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.927 3.663 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -0.655 4.900 1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 149 2.776 2.611 3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 149 1.404 1.492 3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 149 1.669 2.324 2.225 1.00 0.00 H new ATOM 391 N LYS A 150 -3.672 4.841 3.584 1.00 0.00 N ATOM 392 CA LYS A 150 -5.084 4.671 3.264 1.00 0.00 C ATOM 393 C LYS A 150 -5.256 3.878 1.971 1.00 0.00 C ATOM 394 O LYS A 150 -4.384 3.892 1.102 1.00 0.00 O ATOM 395 CB LYS A 150 -5.769 6.033 3.137 1.00 0.00 C ATOM 396 CG LYS A 150 -7.105 6.112 3.859 1.00 0.00 C ATOM 397 CD LYS A 150 -8.184 6.716 2.974 1.00 0.00 C ATOM 398 CE LYS A 150 -9.301 7.332 3.801 1.00 0.00 C ATOM 399 NZ LYS A 150 -10.084 8.330 3.020 1.00 0.00 N ATOM 0 H LYS A 150 -3.295 5.760 3.352 1.00 0.00 H new ATOM 0 HA LYS A 150 -5.551 4.114 4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.106 6.802 3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.922 6.256 2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -7.409 5.114 4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -6.996 6.712 4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -7.744 7.477 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -8.595 5.945 2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -9.967 6.545 4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -8.877 7.812 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -10.836 8.727 3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -9.454 9.094 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -10.510 7.866 2.192 1.00 0.00 H new ATOM 413 N GLY A 151 -6.385 3.189 1.852 1.00 0.00 N ATOM 414 CA GLY A 151 -6.652 2.401 0.662 1.00 0.00 C ATOM 415 C GLY A 151 -8.103 1.974 0.564 1.00 0.00 C ATOM 416 O GLY A 151 -8.659 1.416 1.510 1.00 0.00 O ATOM 0 H GLY A 151 -7.121 3.162 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -6.387 2.981 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.015 1.516 0.665 1.00 0.00 H new ATOM 420 N THR A 152 -8.718 2.237 -0.585 1.00 0.00 N ATOM 421 CA THR A 152 -10.114 1.876 -0.805 1.00 0.00 C ATOM 422 C THR A 152 -10.251 0.931 -1.994 1.00 0.00 C ATOM 423 O THR A 152 -10.727 1.321 -3.060 1.00 0.00 O ATOM 424 CB THR A 152 -10.957 3.133 -1.035 1.00 0.00 C ATOM 425 OG1 THR A 152 -12.321 2.797 -1.211 1.00 0.00 O ATOM 426 CG2 THR A 152 -10.519 3.933 -2.243 1.00 0.00 C ATOM 0 H THR A 152 -8.272 2.699 -1.378 1.00 0.00 H new ATOM 0 HA THR A 152 -10.476 1.363 0.086 1.00 0.00 H new ATOM 0 HB THR A 152 -10.815 3.744 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 152 -12.843 3.614 -1.355 1.00 0.00 H new ATOM 0 HG21 THR A 152 -11.157 4.810 -2.349 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.484 4.250 -2.114 1.00 0.00 H new ATOM 0 HG23 THR A 152 -10.600 3.315 -3.137 1.00 0.00 H new ATOM 434 N GLY A 153 -9.829 -0.315 -1.803 1.00 0.00 N ATOM 435 CA GLY A 153 -9.914 -1.298 -2.866 1.00 0.00 C ATOM 436 C GLY A 153 -11.052 -2.278 -2.663 1.00 0.00 C ATOM 437 O GLY A 153 -12.076 -2.200 -3.342 1.00 0.00 O ATOM 0 H GLY A 153 -9.430 -0.661 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -10.046 -0.786 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.974 -1.846 -2.925 1.00 0.00 H new ATOM 441 N VAL A 154 -10.872 -3.201 -1.724 1.00 0.00 N ATOM 442 CA VAL A 154 -11.893 -4.201 -1.430 1.00 0.00 C ATOM 443 C VAL A 154 -12.388 -4.072 0.007 1.00 0.00 C ATOM 444 O VAL A 154 -12.646 -5.071 0.679 1.00 0.00 O ATOM 445 CB VAL A 154 -11.359 -5.629 -1.653 1.00 0.00 C ATOM 446 CG1 VAL A 154 -11.240 -5.931 -3.139 1.00 0.00 C ATOM 447 CG2 VAL A 154 -10.020 -5.814 -0.954 1.00 0.00 C ATOM 0 H VAL A 154 -10.030 -3.278 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 154 -12.722 -4.021 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.069 -6.333 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -10.861 -6.944 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -12.220 -5.844 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -10.553 -5.222 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -9.659 -6.828 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -9.299 -5.101 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -10.142 -5.645 0.116 1.00 0.00 H new ATOM 457 N GLY A 155 -12.520 -2.835 0.473 1.00 0.00 N ATOM 458 CA GLY A 155 -12.984 -2.597 1.827 1.00 0.00 C ATOM 459 C GLY A 155 -11.855 -2.237 2.771 1.00 0.00 C ATOM 460 O GLY A 155 -12.064 -1.531 3.759 1.00 0.00 O ATOM 0 H GLY A 155 -12.314 -1.992 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -13.718 -1.792 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.492 -3.488 2.196 1.00 0.00 H new ATOM 464 N GLY A 156 -10.654 -2.722 2.468 1.00 0.00 N ATOM 465 CA GLY A 156 -9.505 -2.436 3.306 1.00 0.00 C ATOM 466 C GLY A 156 -8.200 -2.850 2.656 1.00 0.00 C ATOM 467 O GLY A 156 -7.441 -3.639 3.219 1.00 0.00 O ATOM 0 H GLY A 156 -10.457 -3.308 1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.476 -1.369 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.615 -2.955 4.258 1.00 0.00 H new ATOM 471 N ARG A 157 -7.939 -2.318 1.467 1.00 0.00 N ATOM 472 CA ARG A 157 -6.718 -2.638 0.737 1.00 0.00 C ATOM 473 C ARG A 157 -6.175 -1.407 0.018 1.00 0.00 C ATOM 474 O ARG A 157 -6.938 -0.632 -0.561 1.00 0.00 O ATOM 475 CB ARG A 157 -6.984 -3.755 -0.275 1.00 0.00 C ATOM 476 CG ARG A 157 -6.595 -5.138 0.225 1.00 0.00 C ATOM 477 CD ARG A 157 -5.689 -5.856 -0.763 1.00 0.00 C ATOM 478 NE ARG A 157 -5.871 -7.305 -0.719 1.00 0.00 N ATOM 479 CZ ARG A 157 -5.450 -8.133 -1.672 1.00 0.00 C ATOM 480 NH1 ARG A 157 -4.821 -7.661 -2.742 1.00 0.00 N ATOM 481 NH2 ARG A 157 -5.657 -9.438 -1.556 1.00 0.00 N ATOM 0 H ARG A 157 -8.557 -1.663 0.988 1.00 0.00 H new ATOM 0 HA ARG A 157 -5.972 -2.976 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.043 -3.756 -0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -6.434 -3.542 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.088 -5.049 1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -7.494 -5.731 0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -5.894 -5.495 -1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -4.649 -5.614 -0.543 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.348 -7.705 0.089 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -4.658 -6.659 -2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -4.501 -8.301 -3.469 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -6.139 -9.807 -0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -5.334 -10.072 -2.287 1.00 0.00 H new ATOM 495 N LEU A 158 -4.856 -1.233 0.047 1.00 0.00 N ATOM 496 CA LEU A 158 -4.230 -0.099 -0.614 1.00 0.00 C ATOM 497 C LEU A 158 -3.613 -0.551 -1.937 1.00 0.00 C ATOM 498 O LEU A 158 -2.952 -1.587 -2.000 1.00 0.00 O ATOM 499 CB LEU A 158 -3.196 0.541 0.334 1.00 0.00 C ATOM 500 CG LEU A 158 -1.751 0.642 -0.173 1.00 0.00 C ATOM 501 CD1 LEU A 158 -1.472 2.040 -0.704 1.00 0.00 C ATOM 502 CD2 LEU A 158 -0.770 0.296 0.941 1.00 0.00 C ATOM 0 H LEU A 158 -4.206 -1.861 0.519 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.973 0.663 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.539 1.546 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -3.190 -0.030 1.263 1.00 0.00 H new ATOM 0 HG LEU A 158 -1.620 -0.073 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.443 2.095 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -2.153 2.259 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.620 2.768 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 158 0.250 0.373 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -0.903 0.989 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -0.954 -0.722 1.285 1.00 0.00 H new ATOM 514 N THR A 159 -3.857 0.215 -2.997 1.00 0.00 N ATOM 515 CA THR A 159 -3.347 -0.130 -4.322 1.00 0.00 C ATOM 516 C THR A 159 -2.103 0.673 -4.673 1.00 0.00 C ATOM 517 O THR A 159 -1.697 1.562 -3.927 1.00 0.00 O ATOM 518 CB THR A 159 -4.431 0.096 -5.376 1.00 0.00 C ATOM 519 OG1 THR A 159 -4.558 1.475 -5.678 1.00 0.00 O ATOM 520 CG2 THR A 159 -5.790 -0.409 -4.947 1.00 0.00 C ATOM 0 H THR A 159 -4.403 1.076 -2.965 1.00 0.00 H new ATOM 0 HA THR A 159 -3.069 -1.184 -4.307 1.00 0.00 H new ATOM 0 HB THR A 159 -4.109 -0.469 -6.251 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.884 1.954 -4.888 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.515 -0.219 -5.738 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.736 -1.480 -4.754 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.100 0.108 -4.039 1.00 0.00 H new ATOM 528 N ARG A 160 -1.507 0.352 -5.822 1.00 0.00 N ATOM 529 CA ARG A 160 -0.300 1.030 -6.284 1.00 0.00 C ATOM 530 C ARG A 160 -0.525 2.534 -6.376 1.00 0.00 C ATOM 531 O ARG A 160 0.398 3.323 -6.177 1.00 0.00 O ATOM 532 CB ARG A 160 0.120 0.484 -7.650 1.00 0.00 C ATOM 533 CG ARG A 160 1.387 1.122 -8.199 1.00 0.00 C ATOM 534 CD ARG A 160 2.443 0.080 -8.534 1.00 0.00 C ATOM 535 NE ARG A 160 3.029 0.300 -9.855 1.00 0.00 N ATOM 536 CZ ARG A 160 2.443 -0.061 -10.995 1.00 0.00 C ATOM 537 NH1 ARG A 160 1.256 -0.654 -10.981 1.00 0.00 N ATOM 538 NH2 ARG A 160 3.046 0.174 -12.153 1.00 0.00 N ATOM 0 H ARG A 160 -1.844 -0.377 -6.451 1.00 0.00 H new ATOM 0 HA ARG A 160 0.494 0.842 -5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 160 0.271 -0.593 -7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.692 0.641 -8.360 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.147 1.697 -9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.788 1.824 -7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 160 3.229 0.105 -7.780 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.997 -0.914 -8.496 1.00 0.00 H new ATOM 0 HE ARG A 160 3.940 0.757 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 160 0.787 -0.836 -10.094 1.00 0.00 H new ATOM 0 HH12 ARG A 160 0.812 -0.928 -11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 160 3.958 0.631 -12.170 1.00 0.00 H new ATOM 0 HH22 ARG A 160 2.598 -0.102 -13.027 1.00 0.00 H new ATOM 552 N GLU A 161 -1.761 2.925 -6.658 1.00 0.00 N ATOM 553 CA GLU A 161 -2.103 4.335 -6.753 1.00 0.00 C ATOM 554 C GLU A 161 -2.157 4.955 -5.362 1.00 0.00 C ATOM 555 O GLU A 161 -1.807 6.122 -5.171 1.00 0.00 O ATOM 556 CB GLU A 161 -3.446 4.516 -7.463 1.00 0.00 C ATOM 557 CG GLU A 161 -3.393 4.203 -8.949 1.00 0.00 C ATOM 558 CD GLU A 161 -3.623 2.733 -9.244 1.00 0.00 C ATOM 559 OE1 GLU A 161 -4.784 2.355 -9.509 1.00 0.00 O ATOM 560 OE2 GLU A 161 -2.642 1.961 -9.211 1.00 0.00 O ATOM 0 H GLU A 161 -2.539 2.287 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.333 4.840 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -4.188 3.872 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.784 5.544 -7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -4.146 4.796 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.422 4.502 -9.345 1.00 0.00 H new ATOM 567 N ASP A 162 -2.587 4.159 -4.389 1.00 0.00 N ATOM 568 CA ASP A 162 -2.677 4.623 -3.013 1.00 0.00 C ATOM 569 C ASP A 162 -1.287 4.712 -2.394 1.00 0.00 C ATOM 570 O ASP A 162 -1.015 5.595 -1.578 1.00 0.00 O ATOM 571 CB ASP A 162 -3.568 3.689 -2.192 1.00 0.00 C ATOM 572 CG ASP A 162 -5.027 3.788 -2.584 1.00 0.00 C ATOM 573 OD1 ASP A 162 -5.578 4.909 -2.550 1.00 0.00 O ATOM 574 OD2 ASP A 162 -5.622 2.743 -2.926 1.00 0.00 O ATOM 0 H ASP A 162 -2.878 3.191 -4.529 1.00 0.00 H new ATOM 0 HA ASP A 162 -3.124 5.617 -3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -3.229 2.661 -2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -3.462 3.928 -1.134 1.00 0.00 H new ATOM 579 N VAL A 163 -0.402 3.803 -2.798 1.00 0.00 N ATOM 580 CA VAL A 163 0.964 3.803 -2.280 1.00 0.00 C ATOM 581 C VAL A 163 1.744 4.957 -2.892 1.00 0.00 C ATOM 582 O VAL A 163 2.434 5.688 -2.188 1.00 0.00 O ATOM 583 CB VAL A 163 1.739 2.485 -2.552 1.00 0.00 C ATOM 584 CG1 VAL A 163 2.469 2.032 -1.300 1.00 0.00 C ATOM 585 CG2 VAL A 163 0.834 1.378 -3.056 1.00 0.00 C ATOM 0 H VAL A 163 -0.602 3.066 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 163 0.875 3.908 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 163 2.464 2.697 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 163 3.007 1.107 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 163 3.176 2.802 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 163 1.748 1.861 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.423 0.478 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.065 1.169 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.362 1.690 -3.988 1.00 0.00 H new ATOM 595 N GLU A 164 1.621 5.126 -4.209 1.00 0.00 N ATOM 596 CA GLU A 164 2.314 6.209 -4.896 1.00 0.00 C ATOM 597 C GLU A 164 1.868 7.550 -4.332 1.00 0.00 C ATOM 598 O GLU A 164 2.685 8.438 -4.090 1.00 0.00 O ATOM 599 CB GLU A 164 2.059 6.150 -6.405 1.00 0.00 C ATOM 600 CG GLU A 164 0.642 6.526 -6.802 1.00 0.00 C ATOM 601 CD GLU A 164 0.430 6.506 -8.303 1.00 0.00 C ATOM 602 OE1 GLU A 164 -0.438 7.260 -8.790 1.00 0.00 O ATOM 603 OE2 GLU A 164 1.133 5.737 -8.991 1.00 0.00 O ATOM 0 H GLU A 164 1.053 4.532 -4.814 1.00 0.00 H new ATOM 0 HA GLU A 164 3.385 6.095 -4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 164 2.757 6.819 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.271 5.142 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -0.058 5.836 -6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 164 0.414 7.521 -6.420 1.00 0.00 H new ATOM 610 N LYS A 165 0.566 7.679 -4.101 1.00 0.00 N ATOM 611 CA LYS A 165 0.013 8.903 -3.538 1.00 0.00 C ATOM 612 C LYS A 165 0.594 9.133 -2.148 1.00 0.00 C ATOM 613 O LYS A 165 0.956 10.253 -1.787 1.00 0.00 O ATOM 614 CB LYS A 165 -1.514 8.821 -3.468 1.00 0.00 C ATOM 615 CG LYS A 165 -2.214 9.573 -4.591 1.00 0.00 C ATOM 616 CD LYS A 165 -2.999 8.631 -5.492 1.00 0.00 C ATOM 617 CE LYS A 165 -4.061 9.377 -6.285 1.00 0.00 C ATOM 618 NZ LYS A 165 -5.159 8.474 -6.726 1.00 0.00 N ATOM 0 H LYS A 165 -0.124 6.953 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 165 0.280 9.741 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -1.816 7.774 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -1.848 9.220 -2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -2.888 10.317 -4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -1.476 10.113 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -2.317 8.129 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -3.471 7.857 -4.888 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -4.474 10.179 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -3.602 9.844 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -5.863 9.020 -7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -4.769 7.723 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -5.614 8.048 -5.893 1.00 0.00 H new ATOM 632 N HIS A 166 0.692 8.052 -1.382 1.00 0.00 N ATOM 633 CA HIS A 166 1.244 8.110 -0.036 1.00 0.00 C ATOM 634 C HIS A 166 2.755 8.312 -0.090 1.00 0.00 C ATOM 635 O HIS A 166 3.341 8.969 0.771 1.00 0.00 O ATOM 636 CB HIS A 166 0.926 6.820 0.722 1.00 0.00 C ATOM 637 CG HIS A 166 1.446 6.807 2.126 1.00 0.00 C ATOM 638 ND1 HIS A 166 0.712 7.249 3.206 1.00 0.00 N ATOM 639 CD2 HIS A 166 2.639 6.404 2.624 1.00 0.00 C ATOM 640 CE1 HIS A 166 1.432 7.120 4.307 1.00 0.00 C ATOM 641 NE2 HIS A 166 2.603 6.609 3.980 1.00 0.00 N ATOM 0 H HIS A 166 0.394 7.121 -1.673 1.00 0.00 H new ATOM 0 HA HIS A 166 0.791 8.953 0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 166 -0.154 6.677 0.742 1.00 0.00 H new ATOM 0 HB3 HIS A 166 1.349 5.975 0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 166 3.465 5.997 2.059 1.00 0.00 H new ATOM 0 HE1 HIS A 166 1.115 7.387 5.304 1.00 0.00 H new ATOM 0 HE2 HIS A 166 3.360 6.400 4.631 1.00 0.00 H new ATOM 650 N LEU A 167 3.377 7.733 -1.112 1.00 0.00 N ATOM 651 CA LEU A 167 4.819 7.831 -1.298 1.00 0.00 C ATOM 652 C LEU A 167 5.256 9.288 -1.430 1.00 0.00 C ATOM 653 O LEU A 167 6.329 9.669 -0.963 1.00 0.00 O ATOM 654 CB LEU A 167 5.243 7.041 -2.538 1.00 0.00 C ATOM 655 CG LEU A 167 5.425 5.535 -2.325 1.00 0.00 C ATOM 656 CD1 LEU A 167 5.793 4.853 -3.632 1.00 0.00 C ATOM 657 CD2 LEU A 167 6.487 5.274 -1.268 1.00 0.00 C ATOM 0 H LEU A 167 2.900 7.187 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 167 5.306 7.408 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 167 4.497 7.193 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 167 6.181 7.455 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 167 4.481 5.118 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 167 5.918 3.784 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.000 5.014 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.725 5.272 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 167 6.605 4.199 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 167 7.435 5.704 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 167 6.183 5.731 -0.326 1.00 0.00 H new ATOM 669 N ALA A 168 4.416 10.095 -2.067 1.00 0.00 N ATOM 670 CA ALA A 168 4.714 11.510 -2.260 1.00 0.00 C ATOM 671 C ALA A 168 4.262 12.333 -1.059 1.00 0.00 C ATOM 672 O ALA A 168 4.875 13.345 -0.720 1.00 0.00 O ATOM 673 CB ALA A 168 4.054 12.021 -3.532 1.00 0.00 C ATOM 0 H ALA A 168 3.523 9.795 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 168 5.794 11.619 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 168 4.285 13.078 -3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 168 4.429 11.459 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 168 2.974 11.892 -3.459 1.00 0.00 H new ATOM 679 N LYS A 169 3.187 11.890 -0.418 1.00 0.00 N ATOM 680 CA LYS A 169 2.650 12.584 0.748 1.00 0.00 C ATOM 681 C LYS A 169 3.123 11.920 2.037 1.00 0.00 C ATOM 682 O LYS A 169 2.392 11.870 3.026 1.00 0.00 O ATOM 683 CB LYS A 169 1.122 12.601 0.700 1.00 0.00 C ATOM 684 CG LYS A 169 0.560 13.110 -0.618 1.00 0.00 C ATOM 685 CD LYS A 169 -0.761 12.435 -0.961 1.00 0.00 C ATOM 686 CE LYS A 169 -1.863 13.453 -1.203 1.00 0.00 C ATOM 687 NZ LYS A 169 -2.126 13.653 -2.655 1.00 0.00 N ATOM 0 H LYS A 169 2.669 11.053 -0.686 1.00 0.00 H new ATOM 0 HA LYS A 169 3.017 13.610 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 169 0.750 11.592 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 169 0.748 13.227 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 169 0.414 14.189 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 169 1.280 12.928 -1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -0.634 11.817 -1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -1.052 11.769 -0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -2.777 13.122 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -1.584 14.404 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -2.884 14.355 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -1.261 13.993 -3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -2.417 12.751 -3.083 1.00 0.00 H new ATOM 701 N ALA A 170 4.352 11.412 2.019 1.00 0.00 N ATOM 702 CA ALA A 170 4.923 10.751 3.187 1.00 0.00 C ATOM 703 C ALA A 170 6.310 11.297 3.501 1.00 0.00 C ATOM 704 O ALA A 170 7.220 11.118 2.664 1.00 0.00 O ATOM 705 CB ALA A 170 4.983 9.247 2.964 1.00 0.00 C ATOM 706 OXT ALA A 170 6.478 11.899 4.583 1.00 0.00 O ATOM 0 H ALA A 170 4.971 11.446 1.209 1.00 0.00 H new ATOM 0 HA ALA A 170 4.279 10.955 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 170 5.411 8.766 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 170 3.977 8.864 2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 170 5.604 9.033 2.094 1.00 0.00 H new TER 712 ALA A 170