USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 444 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 NoAdj-H: A 152 HIS HD1 : A 152 HIS ND1 : A 182 ZNZN :(H bumps) USER MOD Set 1.1: A 146 HIS : no HD1:sc= -0.255 X(o=-0.25,f=-0.54) USER MOD Set 1.2: A 172 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 156 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 157 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 143 HIS : no HE2:sc= -0.798 K(o=0.082,f=-11!) USER MOD Set 3.2: A 153 SER OG : rot -176:sc= 0.88 USER MOD Single : A 126 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 131 ASN : amide:sc= -0.0763 K(o=-0.076,f=-1.7!) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ -149:sc= -0.148 (180deg=-1.02) USER MOD Single : A 142 TYR OH : rot -150:sc= -0.764 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl 180:sc= -0.0105 (180deg=-0.0105) USER MOD Single : A 165 GLN : amide:sc= -3.31 K(o=-3.3,f=-8.1!) USER MOD Single : A 168 CYS SG : rot 180:sc= -0.0241 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 170 GLN : amide:sc= -0.923 K(o=-0.92,f=-3.6!) USER MOD Single : A 171 CYS SG : rot 180:sc= 0 USER MOD Single : A 175 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 1.594 15.156 -6.516 1.00 0.00 N ATOM 2 CA ALA A 124 1.035 14.441 -5.337 1.00 0.00 C ATOM 3 C ALA A 124 0.339 13.152 -5.759 1.00 0.00 C ATOM 4 O ALA A 124 -0.502 13.152 -6.658 1.00 0.00 O ATOM 5 CB ALA A 124 0.068 15.341 -4.585 1.00 0.00 C ATOM 0 HA ALA A 124 1.861 14.179 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.334 14.805 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.592 16.234 -4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -0.749 15.630 -5.246 1.00 0.00 H new ATOM 11 N ILE A 125 0.695 12.053 -5.103 1.00 0.00 N ATOM 12 CA ILE A 125 0.105 10.755 -5.410 1.00 0.00 C ATOM 13 C ILE A 125 -0.833 10.302 -4.295 1.00 0.00 C ATOM 14 O ILE A 125 -0.677 10.698 -3.140 1.00 0.00 O ATOM 15 CB ILE A 125 1.187 9.680 -5.624 1.00 0.00 C ATOM 16 CG1 ILE A 125 2.243 10.175 -6.616 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.559 8.383 -6.115 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.569 9.458 -6.493 1.00 0.00 C ATOM 0 H ILE A 125 1.389 12.035 -4.356 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.462 10.876 -6.333 1.00 0.00 H new ATOM 0 HB ILE A 125 1.675 9.486 -4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.864 10.050 -7.630 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.401 11.243 -6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.338 7.634 -6.261 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.157 8.023 -5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.046 8.562 -7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.269 9.859 -7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.970 9.604 -5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.425 8.393 -6.675 1.00 0.00 H new ATOM 30 N CYS A 126 -1.808 9.470 -4.650 1.00 0.00 N ATOM 31 CA CYS A 126 -2.771 8.963 -3.680 1.00 0.00 C ATOM 32 C CYS A 126 -2.625 7.454 -3.504 1.00 0.00 C ATOM 33 O CYS A 126 -2.174 6.755 -4.409 1.00 0.00 O ATOM 34 CB CYS A 126 -4.196 9.302 -4.122 1.00 0.00 C ATOM 35 SG CYS A 126 -4.863 10.808 -3.374 1.00 0.00 S ATOM 0 H CYS A 126 -1.951 9.133 -5.602 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.571 9.442 -2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.213 9.410 -5.207 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.850 8.466 -3.875 1.00 0.00 H new ATOM 0 HG CYS A 126 -6.070 11.012 -3.811 1.00 0.00 H new ATOM 41 N CYS A 127 -3.012 6.962 -2.331 1.00 0.00 N ATOM 42 CA CYS A 127 -2.926 5.536 -2.036 1.00 0.00 C ATOM 43 C CYS A 127 -3.912 4.744 -2.887 1.00 0.00 C ATOM 44 O CYS A 127 -5.109 5.030 -2.895 1.00 0.00 O ATOM 45 CB CYS A 127 -3.201 5.287 -0.550 1.00 0.00 C ATOM 46 SG CYS A 127 -2.988 3.568 -0.037 1.00 0.00 S ATOM 0 H CYS A 127 -3.388 7.529 -1.571 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.917 5.199 -2.275 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.536 5.916 0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.221 5.599 -0.323 1.00 0.00 H new ATOM 51 N GLN A 128 -3.400 3.750 -3.607 1.00 0.00 N ATOM 52 CA GLN A 128 -4.237 2.917 -4.464 1.00 0.00 C ATOM 53 C GLN A 128 -5.327 2.220 -3.655 1.00 0.00 C ATOM 54 O GLN A 128 -6.409 1.938 -4.169 1.00 0.00 O ATOM 55 CB GLN A 128 -3.383 1.876 -5.191 1.00 0.00 C ATOM 56 CG GLN A 128 -2.092 2.440 -5.763 1.00 0.00 C ATOM 57 CD GLN A 128 -1.760 1.868 -7.128 1.00 0.00 C ATOM 58 OE1 GLN A 128 -2.497 2.072 -8.094 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.646 1.151 -7.214 1.00 0.00 N ATOM 0 H GLN A 128 -2.411 3.502 -3.614 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.715 3.565 -5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.142 1.069 -4.499 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -3.968 1.439 -6.000 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -2.175 3.524 -5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -1.272 2.230 -5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -0.066 1.008 -6.387 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -0.370 0.743 -8.107 1.00 0.00 H new ATOM 68 N VAL A 129 -5.034 1.946 -2.388 1.00 0.00 N ATOM 69 CA VAL A 129 -5.991 1.282 -1.510 1.00 0.00 C ATOM 70 C VAL A 129 -7.282 2.085 -1.397 1.00 0.00 C ATOM 71 O VAL A 129 -7.272 3.239 -0.969 1.00 0.00 O ATOM 72 CB VAL A 129 -5.406 1.070 -0.099 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.356 0.245 0.756 1.00 0.00 C ATOM 74 CG2 VAL A 129 -4.037 0.408 -0.181 1.00 0.00 C ATOM 0 H VAL A 129 -4.143 2.173 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.208 0.311 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.284 2.045 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.926 0.106 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.310 0.764 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.514 -0.728 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.640 0.267 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -4.130 -0.560 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.360 1.043 -0.752 1.00 0.00 H new ATOM 84 N ASP A 130 -8.392 1.465 -1.782 1.00 0.00 N ATOM 85 CA ASP A 130 -9.694 2.120 -1.724 1.00 0.00 C ATOM 86 C ASP A 130 -10.041 2.512 -0.291 1.00 0.00 C ATOM 87 O ASP A 130 -9.540 1.920 0.662 1.00 0.00 O ATOM 88 CB ASP A 130 -10.777 1.201 -2.291 1.00 0.00 C ATOM 89 CG ASP A 130 -10.533 0.847 -3.745 1.00 0.00 C ATOM 90 OD1 ASP A 130 -9.518 0.178 -4.030 1.00 0.00 O ATOM 91 OD2 ASP A 130 -11.358 1.240 -4.598 1.00 0.00 O ATOM 0 H ASP A 130 -8.416 0.509 -2.138 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.645 3.026 -2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.819 0.286 -1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.748 1.687 -2.196 1.00 0.00 H new ATOM 96 N ASN A 131 -10.903 3.514 -0.151 1.00 0.00 N ATOM 97 CA ASN A 131 -11.319 3.986 1.165 1.00 0.00 C ATOM 98 C ASN A 131 -10.124 4.495 1.967 1.00 0.00 C ATOM 99 O ASN A 131 -10.117 4.432 3.196 1.00 0.00 O ATOM 100 CB ASN A 131 -12.022 2.865 1.932 1.00 0.00 C ATOM 101 CG ASN A 131 -13.453 2.658 1.473 1.00 0.00 C ATOM 102 OD1 ASN A 131 -13.975 3.430 0.669 1.00 0.00 O ATOM 103 ND2 ASN A 131 -14.094 1.615 1.985 1.00 0.00 N ATOM 0 H ASN A 131 -11.327 4.015 -0.932 1.00 0.00 H new ATOM 0 HA ASN A 131 -12.015 4.813 1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.465 1.937 1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.015 3.098 2.997 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.059 1.427 1.715 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.621 1.001 2.649 1.00 0.00 H new ATOM 110 N CYS A 132 -9.115 5.000 1.263 1.00 0.00 N ATOM 111 CA CYS A 132 -7.918 5.521 1.912 1.00 0.00 C ATOM 112 C CYS A 132 -7.476 6.831 1.266 1.00 0.00 C ATOM 113 O CYS A 132 -6.894 6.834 0.181 1.00 0.00 O ATOM 114 CB CYS A 132 -6.784 4.497 1.843 1.00 0.00 C ATOM 115 SG CYS A 132 -5.375 4.884 2.910 1.00 0.00 S ATOM 0 H CYS A 132 -9.103 5.059 0.245 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.158 5.714 2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -7.176 3.518 2.117 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.437 4.424 0.812 1.00 0.00 H new ATOM 120 N GLY A 133 -7.756 7.942 1.941 1.00 0.00 N ATOM 121 CA GLY A 133 -7.380 9.241 1.418 1.00 0.00 C ATOM 122 C GLY A 133 -6.021 9.694 1.914 1.00 0.00 C ATOM 123 O GLY A 133 -5.860 10.836 2.349 1.00 0.00 O ATOM 0 H GLY A 133 -8.236 7.965 2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.371 9.202 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.132 9.976 1.705 1.00 0.00 H new ATOM 127 N ALA A 134 -5.042 8.799 1.852 1.00 0.00 N ATOM 128 CA ALA A 134 -3.691 9.111 2.299 1.00 0.00 C ATOM 129 C ALA A 134 -2.888 9.786 1.192 1.00 0.00 C ATOM 130 O ALA A 134 -2.514 9.149 0.206 1.00 0.00 O ATOM 131 CB ALA A 134 -2.985 7.847 2.768 1.00 0.00 C ATOM 0 H ALA A 134 -5.159 7.850 1.496 1.00 0.00 H new ATOM 0 HA ALA A 134 -3.764 9.806 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -1.977 8.095 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -3.540 7.406 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -2.932 7.134 1.946 1.00 0.00 H new ATOM 137 N ASP A 135 -2.627 11.078 1.361 1.00 0.00 N ATOM 138 CA ASP A 135 -1.868 11.839 0.375 1.00 0.00 C ATOM 139 C ASP A 135 -0.380 11.516 0.467 1.00 0.00 C ATOM 140 O ASP A 135 0.217 11.586 1.541 1.00 0.00 O ATOM 141 CB ASP A 135 -2.089 13.340 0.578 1.00 0.00 C ATOM 142 CG ASP A 135 -1.854 14.136 -0.691 1.00 0.00 C ATOM 143 OD1 ASP A 135 -2.077 13.584 -1.788 1.00 0.00 O ATOM 144 OD2 ASP A 135 -1.444 15.310 -0.587 1.00 0.00 O ATOM 0 H ASP A 135 -2.929 11.620 2.171 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.223 11.557 -0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.107 13.511 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.420 13.701 1.359 1.00 0.00 H new ATOM 149 N LEU A 136 0.214 11.161 -0.667 1.00 0.00 N ATOM 150 CA LEU A 136 1.633 10.826 -0.717 1.00 0.00 C ATOM 151 C LEU A 136 2.461 12.030 -1.153 1.00 0.00 C ATOM 152 O LEU A 136 3.391 11.901 -1.950 1.00 0.00 O ATOM 153 CB LEU A 136 1.866 9.655 -1.674 1.00 0.00 C ATOM 154 CG LEU A 136 0.970 8.437 -1.440 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.233 7.372 -2.490 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.188 7.879 -0.042 1.00 0.00 C ATOM 0 H LEU A 136 -0.265 11.098 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 136 1.950 10.536 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.717 10.005 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.907 9.342 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.070 8.751 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.587 6.514 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.026 7.778 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.276 7.059 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.543 7.013 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.230 7.580 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.947 8.644 0.697 1.00 0.00 H new ATOM 168 N SER A 137 2.117 13.201 -0.626 1.00 0.00 N ATOM 169 CA SER A 137 2.828 14.428 -0.962 1.00 0.00 C ATOM 170 C SER A 137 3.841 14.784 0.121 1.00 0.00 C ATOM 171 O SER A 137 4.915 15.314 -0.169 1.00 0.00 O ATOM 172 CB SER A 137 1.839 15.581 -1.148 1.00 0.00 C ATOM 173 OG SER A 137 2.500 16.754 -1.586 1.00 0.00 O ATOM 0 H SER A 137 1.350 13.325 0.035 1.00 0.00 H new ATOM 0 HA SER A 137 3.364 14.263 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.077 15.297 -1.874 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.325 15.779 -0.207 1.00 0.00 H new ATOM 0 HG SER A 137 1.846 17.475 -1.699 1.00 0.00 H new ATOM 179 N LYS A 138 3.494 14.487 1.369 1.00 0.00 N ATOM 180 CA LYS A 138 4.374 14.775 2.497 1.00 0.00 C ATOM 181 C LYS A 138 5.493 13.744 2.591 1.00 0.00 C ATOM 182 O LYS A 138 6.597 14.050 3.041 1.00 0.00 O ATOM 183 CB LYS A 138 3.573 14.798 3.800 1.00 0.00 C ATOM 184 CG LYS A 138 4.329 15.406 4.969 1.00 0.00 C ATOM 185 CD LYS A 138 3.946 14.749 6.285 1.00 0.00 C ATOM 186 CE LYS A 138 4.289 15.634 7.472 1.00 0.00 C ATOM 187 NZ LYS A 138 4.834 14.847 8.613 1.00 0.00 N ATOM 0 H LYS A 138 2.610 14.047 1.625 1.00 0.00 H new ATOM 0 HA LYS A 138 4.822 15.755 2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.653 15.361 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.283 13.779 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 138 5.401 15.297 4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.121 16.475 5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.877 14.534 6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.464 13.795 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.019 16.384 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 138 3.397 16.171 7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.055 15.487 9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.128 14.148 8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.700 14.355 8.313 1.00 0.00 H new ATOM 201 N VAL A 139 5.201 12.520 2.164 1.00 0.00 N ATOM 202 CA VAL A 139 6.181 11.442 2.200 1.00 0.00 C ATOM 203 C VAL A 139 7.419 11.796 1.381 1.00 0.00 C ATOM 204 O VAL A 139 7.450 12.818 0.695 1.00 0.00 O ATOM 205 CB VAL A 139 5.587 10.124 1.668 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.484 9.626 2.587 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.069 10.308 0.249 1.00 0.00 C ATOM 0 H VAL A 139 4.292 12.250 1.788 1.00 0.00 H new ATOM 0 HA VAL A 139 6.465 11.308 3.244 1.00 0.00 H new ATOM 0 HB VAL A 139 6.376 9.372 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 139 4.077 8.694 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.891 9.453 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.692 10.373 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.653 9.367 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.294 11.074 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 139 5.889 10.615 -0.401 1.00 0.00 H new ATOM 217 N LYS A 140 8.437 10.944 1.459 1.00 0.00 N ATOM 218 CA LYS A 140 9.677 11.166 0.723 1.00 0.00 C ATOM 219 C LYS A 140 9.849 10.129 -0.380 1.00 0.00 C ATOM 220 O LYS A 140 9.623 10.413 -1.555 1.00 0.00 O ATOM 221 CB LYS A 140 10.874 11.119 1.677 1.00 0.00 C ATOM 222 CG LYS A 140 10.932 12.296 2.638 1.00 0.00 C ATOM 223 CD LYS A 140 11.901 13.366 2.156 1.00 0.00 C ATOM 224 CE LYS A 140 12.837 13.813 3.267 1.00 0.00 C ATOM 225 NZ LYS A 140 12.112 14.045 4.546 1.00 0.00 N ATOM 0 H LYS A 140 8.428 10.095 2.024 1.00 0.00 H new ATOM 0 HA LYS A 140 9.626 12.152 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 140 10.834 10.193 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 140 11.793 11.092 1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 140 9.937 12.728 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 140 11.237 11.946 3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 140 12.485 12.980 1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 140 11.341 14.224 1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 140 13.607 13.057 3.419 1.00 0.00 H new ATOM 0 HE3 LYS A 140 13.345 14.729 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 12.590 14.795 5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 11.134 14.335 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 12.104 13.168 5.105 1.00 0.00 H new ATOM 239 N ASP A 141 10.250 8.926 0.010 1.00 0.00 N ATOM 240 CA ASP A 141 10.453 7.840 -0.943 1.00 0.00 C ATOM 241 C ASP A 141 9.744 6.573 -0.478 1.00 0.00 C ATOM 242 O ASP A 141 9.122 6.553 0.585 1.00 0.00 O ATOM 243 CB ASP A 141 11.949 7.568 -1.123 1.00 0.00 C ATOM 244 CG ASP A 141 12.494 8.173 -2.402 1.00 0.00 C ATOM 245 OD1 ASP A 141 12.300 9.389 -2.613 1.00 0.00 O ATOM 246 OD2 ASP A 141 13.116 7.432 -3.192 1.00 0.00 O ATOM 0 H ASP A 141 10.442 8.676 0.980 1.00 0.00 H new ATOM 0 HA ASP A 141 10.028 8.141 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 141 12.495 7.973 -0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 141 12.122 6.492 -1.130 1.00 0.00 H new ATOM 251 N TYR A 142 9.842 5.517 -1.281 1.00 0.00 N ATOM 252 CA TYR A 142 9.210 4.242 -0.956 1.00 0.00 C ATOM 253 C TYR A 142 7.691 4.347 -1.048 1.00 0.00 C ATOM 254 O TYR A 142 7.066 3.720 -1.903 1.00 0.00 O ATOM 255 CB TYR A 142 9.616 3.783 0.448 1.00 0.00 C ATOM 256 CG TYR A 142 9.439 2.299 0.675 1.00 0.00 C ATOM 257 CD1 TYR A 142 10.091 1.371 -0.129 1.00 0.00 C ATOM 258 CD2 TYR A 142 8.620 1.825 1.692 1.00 0.00 C ATOM 259 CE1 TYR A 142 9.931 0.014 0.076 1.00 0.00 C ATOM 260 CE2 TYR A 142 8.456 0.469 1.903 1.00 0.00 C ATOM 261 CZ TYR A 142 9.113 -0.432 1.093 1.00 0.00 C ATOM 262 OH TYR A 142 8.952 -1.783 1.300 1.00 0.00 O ATOM 0 H TYR A 142 10.354 5.519 -2.163 1.00 0.00 H new ATOM 0 HA TYR A 142 9.552 3.505 -1.683 1.00 0.00 H new ATOM 0 HB2 TYR A 142 10.660 4.046 0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.025 4.328 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 142 10.733 1.716 -0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 142 8.103 2.528 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 142 10.444 -0.694 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 142 7.816 0.117 2.699 1.00 0.00 H new ATOM 0 HH TYR A 142 8.061 -1.953 1.671 1.00 0.00 H new ATOM 272 N HIS A 143 7.100 5.143 -0.161 1.00 0.00 N ATOM 273 CA HIS A 143 5.654 5.330 -0.144 1.00 0.00 C ATOM 274 C HIS A 143 5.243 6.486 -1.051 1.00 0.00 C ATOM 275 O HIS A 143 4.513 7.387 -0.636 1.00 0.00 O ATOM 276 CB HIS A 143 5.170 5.588 1.285 1.00 0.00 C ATOM 277 CG HIS A 143 5.621 4.550 2.266 1.00 0.00 C ATOM 278 ND1 HIS A 143 6.409 4.841 3.361 1.00 0.00 N ATOM 279 CD2 HIS A 143 5.392 3.216 2.314 1.00 0.00 C ATOM 280 CE1 HIS A 143 6.645 3.733 4.038 1.00 0.00 C ATOM 281 NE2 HIS A 143 6.040 2.733 3.425 1.00 0.00 N ATOM 0 H HIS A 143 7.601 5.669 0.555 1.00 0.00 H new ATOM 0 HA HIS A 143 5.190 4.418 -0.518 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.529 6.564 1.611 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.081 5.631 1.289 1.00 0.00 H new ATOM 0 HD1 HIS A 143 6.755 5.768 3.608 1.00 0.00 H new ATOM 0 HD2 HIS A 143 4.809 2.640 1.611 1.00 0.00 H new ATOM 0 HE1 HIS A 143 7.233 3.657 4.941 1.00 0.00 H new ATOM 289 N ARG A 144 5.715 6.455 -2.293 1.00 0.00 N ATOM 290 CA ARG A 144 5.396 7.498 -3.260 1.00 0.00 C ATOM 291 C ARG A 144 5.399 6.942 -4.680 1.00 0.00 C ATOM 292 O ARG A 144 4.403 7.035 -5.396 1.00 0.00 O ATOM 293 CB ARG A 144 6.398 8.650 -3.149 1.00 0.00 C ATOM 294 CG ARG A 144 6.036 9.856 -3.999 1.00 0.00 C ATOM 295 CD ARG A 144 6.631 9.754 -5.394 1.00 0.00 C ATOM 296 NE ARG A 144 6.547 11.020 -6.118 1.00 0.00 N ATOM 297 CZ ARG A 144 6.747 11.139 -7.429 1.00 0.00 C ATOM 298 NH1 ARG A 144 7.042 10.072 -8.163 1.00 0.00 N ATOM 299 NH2 ARG A 144 6.652 12.327 -8.009 1.00 0.00 N ATOM 0 H ARG A 144 6.321 5.718 -2.653 1.00 0.00 H new ATOM 0 HA ARG A 144 4.397 7.872 -3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.469 8.959 -2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 144 7.385 8.292 -3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 144 4.952 9.940 -4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 144 6.395 10.764 -3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 144 7.674 9.446 -5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 144 6.108 8.980 -5.956 1.00 0.00 H new ATOM 0 HE ARG A 144 6.322 11.862 -5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 144 7.116 9.155 -7.723 1.00 0.00 H new ATOM 0 HH12 ARG A 144 7.194 10.170 -9.167 1.00 0.00 H new ATOM 0 HH21 ARG A 144 6.426 13.150 -7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 144 6.805 12.418 -9.013 1.00 0.00 H new ATOM 313 N ARG A 145 6.525 6.360 -5.078 1.00 0.00 N ATOM 314 CA ARG A 145 6.657 5.785 -6.413 1.00 0.00 C ATOM 315 C ARG A 145 5.824 4.513 -6.537 1.00 0.00 C ATOM 316 O ARG A 145 5.276 4.219 -7.600 1.00 0.00 O ATOM 317 CB ARG A 145 8.125 5.480 -6.718 1.00 0.00 C ATOM 318 CG ARG A 145 8.406 5.264 -8.195 1.00 0.00 C ATOM 319 CD ARG A 145 9.892 5.365 -8.501 1.00 0.00 C ATOM 320 NE ARG A 145 10.461 6.631 -8.045 1.00 0.00 N ATOM 321 CZ ARG A 145 11.763 6.835 -7.866 1.00 0.00 C ATOM 322 NH1 ARG A 145 12.635 5.862 -8.100 1.00 0.00 N ATOM 323 NH2 ARG A 145 12.197 8.019 -7.448 1.00 0.00 N ATOM 0 H ARG A 145 7.359 6.274 -4.497 1.00 0.00 H new ATOM 0 HA ARG A 145 6.289 6.513 -7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.741 6.303 -6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 145 8.425 4.590 -6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 145 8.037 4.284 -8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 145 7.862 6.004 -8.782 1.00 0.00 H new ATOM 0 HD2 ARG A 145 10.417 4.538 -8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 145 10.049 5.263 -9.575 1.00 0.00 H new ATOM 0 HE ARG A 145 9.823 7.403 -7.853 1.00 0.00 H new ATOM 0 HH11 ARG A 145 12.308 4.950 -8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 145 13.632 6.026 -7.960 1.00 0.00 H new ATOM 0 HH21 ARG A 145 11.532 8.770 -7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 145 13.195 8.177 -7.310 1.00 0.00 H new ATOM 337 N HIS A 146 5.735 3.763 -5.444 1.00 0.00 N ATOM 338 CA HIS A 146 4.967 2.522 -5.427 1.00 0.00 C ATOM 339 C HIS A 146 3.475 2.798 -5.248 1.00 0.00 C ATOM 340 O HIS A 146 2.644 1.915 -5.461 1.00 0.00 O ATOM 341 CB HIS A 146 5.467 1.606 -4.309 1.00 0.00 C ATOM 342 CG HIS A 146 6.460 0.585 -4.770 1.00 0.00 C ATOM 343 ND1 HIS A 146 6.372 -0.056 -5.989 1.00 0.00 N ATOM 344 CD2 HIS A 146 7.571 0.094 -4.170 1.00 0.00 C ATOM 345 CE1 HIS A 146 7.383 -0.896 -6.117 1.00 0.00 C ATOM 346 NE2 HIS A 146 8.126 -0.824 -5.027 1.00 0.00 N ATOM 0 H HIS A 146 6.185 3.992 -4.558 1.00 0.00 H new ATOM 0 HA HIS A 146 5.109 2.026 -6.387 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.921 2.215 -3.527 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.615 1.095 -3.861 1.00 0.00 H new ATOM 0 HD2 HIS A 146 7.950 0.373 -3.198 1.00 0.00 H new ATOM 0 HE1 HIS A 146 7.571 -1.534 -6.968 1.00 0.00 H new ATOM 0 HE2 HIS A 146 8.974 -1.363 -4.851 1.00 0.00 H new ATOM 354 N LYS A 147 3.140 4.025 -4.852 1.00 0.00 N ATOM 355 CA LYS A 147 1.749 4.409 -4.644 1.00 0.00 C ATOM 356 C LYS A 147 1.132 3.615 -3.497 1.00 0.00 C ATOM 357 O LYS A 147 0.421 2.636 -3.720 1.00 0.00 O ATOM 358 CB LYS A 147 0.937 4.195 -5.924 1.00 0.00 C ATOM 359 CG LYS A 147 1.512 4.910 -7.135 1.00 0.00 C ATOM 360 CD LYS A 147 0.419 5.316 -8.112 1.00 0.00 C ATOM 361 CE LYS A 147 0.921 5.312 -9.547 1.00 0.00 C ATOM 362 NZ LYS A 147 0.858 6.667 -10.161 1.00 0.00 N ATOM 0 H LYS A 147 3.814 4.768 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 147 1.727 5.467 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 147 0.882 3.127 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.084 4.540 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 147 2.059 5.795 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 147 2.228 4.259 -7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 147 -0.425 4.632 -8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 147 0.053 6.311 -7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 147 1.949 4.950 -9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 147 0.324 4.617 -10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 1.209 6.622 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 -0.126 7.002 -10.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 1.448 7.325 -9.612 1.00 0.00 H new ATOM 376 N VAL A 148 1.408 4.045 -2.271 1.00 0.00 N ATOM 377 CA VAL A 148 0.882 3.378 -1.088 1.00 0.00 C ATOM 378 C VAL A 148 1.341 4.078 0.187 1.00 0.00 C ATOM 379 O VAL A 148 2.539 4.260 0.409 1.00 0.00 O ATOM 380 CB VAL A 148 1.316 1.897 -1.038 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.832 1.783 -0.971 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.669 1.190 0.143 1.00 0.00 C ATOM 0 H VAL A 148 1.995 4.855 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.205 3.427 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 148 0.980 1.410 -1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.117 0.731 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.271 2.249 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 148 3.196 2.287 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.987 0.148 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.971 1.678 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.416 1.237 0.046 1.00 0.00 H new ATOM 392 N CYS A 149 0.383 4.470 1.019 1.00 0.00 N ATOM 393 CA CYS A 149 0.690 5.152 2.271 1.00 0.00 C ATOM 394 C CYS A 149 1.591 4.289 3.152 1.00 0.00 C ATOM 395 O CYS A 149 2.163 3.301 2.691 1.00 0.00 O ATOM 396 CB CYS A 149 -0.602 5.507 3.015 1.00 0.00 C ATOM 397 SG CYS A 149 -1.483 4.083 3.701 1.00 0.00 S ATOM 0 H CYS A 149 -0.613 4.327 0.849 1.00 0.00 H new ATOM 0 HA CYS A 149 1.223 6.073 2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.363 6.196 3.825 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.267 6.036 2.332 1.00 0.00 H new ATOM 402 N GLU A 150 1.716 4.667 4.421 1.00 0.00 N ATOM 403 CA GLU A 150 2.551 3.926 5.361 1.00 0.00 C ATOM 404 C GLU A 150 1.758 2.815 6.045 1.00 0.00 C ATOM 405 O GLU A 150 2.317 1.788 6.431 1.00 0.00 O ATOM 406 CB GLU A 150 3.134 4.872 6.413 1.00 0.00 C ATOM 407 CG GLU A 150 4.464 5.487 6.007 1.00 0.00 C ATOM 408 CD GLU A 150 4.562 6.956 6.369 1.00 0.00 C ATOM 409 OE1 GLU A 150 3.825 7.394 7.276 1.00 0.00 O ATOM 410 OE2 GLU A 150 5.375 7.668 5.742 1.00 0.00 O ATOM 0 H GLU A 150 1.250 5.481 4.822 1.00 0.00 H new ATOM 0 HA GLU A 150 3.365 3.470 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.418 5.671 6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.265 4.326 7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 150 5.275 4.942 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.600 5.372 4.932 1.00 0.00 H new ATOM 417 N ILE A 151 0.454 3.028 6.195 1.00 0.00 N ATOM 418 CA ILE A 151 -0.412 2.047 6.835 1.00 0.00 C ATOM 419 C ILE A 151 -0.426 0.730 6.063 1.00 0.00 C ATOM 420 O ILE A 151 0.108 -0.278 6.527 1.00 0.00 O ATOM 421 CB ILE A 151 -1.857 2.572 6.966 1.00 0.00 C ATOM 422 CG1 ILE A 151 -1.865 3.949 7.634 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.711 1.591 7.756 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.194 3.969 8.991 1.00 0.00 C ATOM 0 H ILE A 151 -0.025 3.872 5.881 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.005 1.872 7.831 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.282 2.670 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.365 4.663 6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -2.896 4.285 7.743 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.727 1.977 7.839 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.729 0.629 7.243 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.290 1.463 8.753 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.238 4.977 9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.708 3.280 9.661 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.153 3.665 8.886 1.00 0.00 H new ATOM 436 N HIS A 152 -1.044 0.745 4.886 1.00 0.00 N ATOM 437 CA HIS A 152 -1.131 -0.449 4.052 1.00 0.00 C ATOM 438 C HIS A 152 0.255 -0.953 3.659 1.00 0.00 C ATOM 439 O HIS A 152 0.435 -2.133 3.358 1.00 0.00 O ATOM 440 CB HIS A 152 -1.956 -0.159 2.796 1.00 0.00 C ATOM 441 CG HIS A 152 -3.390 0.159 3.084 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.928 1.419 2.940 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.404 -0.630 3.516 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.207 1.395 3.269 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.520 0.163 3.621 1.00 0.00 N ATOM 0 H HIS A 152 -1.492 1.571 4.488 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.624 -1.228 4.634 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.507 0.678 2.261 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.910 -1.023 2.133 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.345 -1.686 3.737 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.881 2.239 3.253 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.443 -0.150 3.923 1.00 0.00 H new ATOM 452 N SER A 153 1.235 -0.053 3.662 1.00 0.00 N ATOM 453 CA SER A 153 2.604 -0.410 3.304 1.00 0.00 C ATOM 454 C SER A 153 3.118 -1.553 4.176 1.00 0.00 C ATOM 455 O SER A 153 3.954 -2.348 3.746 1.00 0.00 O ATOM 456 CB SER A 153 3.524 0.806 3.442 1.00 0.00 C ATOM 457 OG SER A 153 4.883 0.412 3.518 1.00 0.00 O ATOM 0 H SER A 153 1.106 0.928 3.908 1.00 0.00 H new ATOM 0 HA SER A 153 2.605 -0.742 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.382 1.472 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 153 3.255 1.370 4.335 1.00 0.00 H new ATOM 0 HG SER A 153 5.444 1.201 3.668 1.00 0.00 H new ATOM 463 N LYS A 154 2.612 -1.630 5.403 1.00 0.00 N ATOM 464 CA LYS A 154 3.022 -2.676 6.333 1.00 0.00 C ATOM 465 C LYS A 154 1.807 -3.324 6.992 1.00 0.00 C ATOM 466 O LYS A 154 1.867 -3.750 8.145 1.00 0.00 O ATOM 467 CB LYS A 154 3.956 -2.099 7.401 1.00 0.00 C ATOM 468 CG LYS A 154 5.395 -2.576 7.269 1.00 0.00 C ATOM 469 CD LYS A 154 6.006 -2.888 8.626 1.00 0.00 C ATOM 470 CE LYS A 154 5.738 -4.327 9.041 1.00 0.00 C ATOM 471 NZ LYS A 154 6.954 -5.178 8.921 1.00 0.00 N ATOM 0 H LYS A 154 1.918 -0.982 5.776 1.00 0.00 H new ATOM 0 HA LYS A 154 3.556 -3.442 5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.935 -1.011 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.580 -2.372 8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.428 -3.466 6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.989 -1.811 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 154 7.081 -2.713 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 154 5.597 -2.210 9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 154 5.382 -4.347 10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 154 4.943 -4.741 8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 6.728 -6.150 9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 7.280 -5.180 7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 7.705 -4.799 9.532 1.00 0.00 H new ATOM 485 N ALA A 155 0.705 -3.395 6.251 1.00 0.00 N ATOM 486 CA ALA A 155 -0.522 -3.991 6.762 1.00 0.00 C ATOM 487 C ALA A 155 -0.697 -5.415 6.249 1.00 0.00 C ATOM 488 O ALA A 155 -0.001 -5.845 5.328 1.00 0.00 O ATOM 489 CB ALA A 155 -1.722 -3.138 6.377 1.00 0.00 C ATOM 0 H ALA A 155 0.638 -3.047 5.295 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.451 -4.032 7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.633 -3.595 6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.609 -2.139 6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.785 -3.068 5.291 1.00 0.00 H new ATOM 495 N THR A 156 -1.633 -6.145 6.849 1.00 0.00 N ATOM 496 CA THR A 156 -1.900 -7.523 6.453 1.00 0.00 C ATOM 497 C THR A 156 -3.032 -7.592 5.432 1.00 0.00 C ATOM 498 O THR A 156 -3.086 -8.510 4.614 1.00 0.00 O ATOM 499 CB THR A 156 -2.266 -8.397 7.666 1.00 0.00 C ATOM 500 OG1 THR A 156 -3.519 -7.973 8.215 1.00 0.00 O ATOM 501 CG2 THR A 156 -1.187 -8.317 8.735 1.00 0.00 C ATOM 0 H THR A 156 -2.219 -5.805 7.611 1.00 0.00 H new ATOM 0 HA THR A 156 -0.983 -7.905 6.004 1.00 0.00 H new ATOM 0 HB THR A 156 -2.348 -9.431 7.330 1.00 0.00 H new ATOM 0 HG1 THR A 156 -3.746 -8.535 8.985 1.00 0.00 H new ATOM 0 HG21 THR A 156 -1.467 -8.943 9.582 1.00 0.00 H new ATOM 0 HG22 THR A 156 -0.240 -8.667 8.323 1.00 0.00 H new ATOM 0 HG23 THR A 156 -1.079 -7.284 9.066 1.00 0.00 H new ATOM 509 N THR A 157 -3.934 -6.617 5.487 1.00 0.00 N ATOM 510 CA THR A 157 -5.064 -6.569 4.567 1.00 0.00 C ATOM 511 C THR A 157 -5.175 -5.202 3.903 1.00 0.00 C ATOM 512 O THR A 157 -4.796 -4.185 4.484 1.00 0.00 O ATOM 513 CB THR A 157 -6.388 -6.885 5.286 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.344 -6.396 6.632 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.653 -8.384 5.296 1.00 0.00 C ATOM 0 H THR A 157 -3.904 -5.850 6.159 1.00 0.00 H new ATOM 0 HA THR A 157 -4.882 -7.327 3.805 1.00 0.00 H new ATOM 0 HB THR A 157 -7.196 -6.391 4.746 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.191 -6.600 7.082 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.594 -8.584 5.809 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.714 -8.750 4.271 1.00 0.00 H new ATOM 0 HG23 THR A 157 -5.841 -8.894 5.815 1.00 0.00 H new ATOM 523 N ALA A 158 -5.696 -5.183 2.681 1.00 0.00 N ATOM 524 CA ALA A 158 -5.858 -3.940 1.937 1.00 0.00 C ATOM 525 C ALA A 158 -6.763 -4.136 0.726 1.00 0.00 C ATOM 526 O ALA A 158 -6.733 -5.183 0.078 1.00 0.00 O ATOM 527 CB ALA A 158 -4.500 -3.407 1.502 1.00 0.00 C ATOM 0 H ALA A 158 -6.014 -6.016 2.185 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.331 -3.211 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.634 -2.478 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.884 -3.218 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -4.008 -4.142 0.865 1.00 0.00 H new ATOM 533 N LEU A 159 -7.571 -3.124 0.427 1.00 0.00 N ATOM 534 CA LEU A 159 -8.488 -3.183 -0.706 1.00 0.00 C ATOM 535 C LEU A 159 -7.992 -2.310 -1.853 1.00 0.00 C ATOM 536 O LEU A 159 -7.976 -1.084 -1.751 1.00 0.00 O ATOM 537 CB LEU A 159 -9.888 -2.740 -0.279 1.00 0.00 C ATOM 538 CG LEU A 159 -11.032 -3.299 -1.126 1.00 0.00 C ATOM 539 CD1 LEU A 159 -10.815 -2.978 -2.596 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.163 -4.799 -0.918 1.00 0.00 C ATOM 0 H LEU A 159 -7.609 -2.252 0.954 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.532 -4.215 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -10.046 -3.037 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.933 -1.651 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 159 -11.961 -2.826 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.639 -3.384 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -10.772 -1.897 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -9.878 -3.423 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -11.982 -5.181 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.234 -5.289 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.367 -5.004 0.133 1.00 0.00 H new ATOM 552 N VAL A 160 -7.589 -2.949 -2.946 1.00 0.00 N ATOM 553 CA VAL A 160 -7.093 -2.228 -4.113 1.00 0.00 C ATOM 554 C VAL A 160 -7.755 -2.731 -5.391 1.00 0.00 C ATOM 555 O VAL A 160 -7.397 -3.787 -5.914 1.00 0.00 O ATOM 556 CB VAL A 160 -5.565 -2.366 -4.253 1.00 0.00 C ATOM 557 CG1 VAL A 160 -5.039 -1.422 -5.324 1.00 0.00 C ATOM 558 CG2 VAL A 160 -4.881 -2.105 -2.918 1.00 0.00 C ATOM 0 H VAL A 160 -7.596 -3.964 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.343 -1.178 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.337 -3.387 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -3.958 -1.534 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.504 -1.661 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.277 -0.394 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.802 -2.207 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.115 -1.096 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.235 -2.826 -2.181 1.00 0.00 H new ATOM 568 N GLY A 161 -8.724 -1.969 -5.890 1.00 0.00 N ATOM 569 CA GLY A 161 -9.421 -2.355 -7.102 1.00 0.00 C ATOM 570 C GLY A 161 -10.684 -3.144 -6.819 1.00 0.00 C ATOM 571 O GLY A 161 -11.744 -2.851 -7.372 1.00 0.00 O ATOM 0 H GLY A 161 -9.038 -1.091 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -9.675 -1.461 -7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.756 -2.952 -7.726 1.00 0.00 H new ATOM 575 N GLY A 162 -10.570 -4.146 -5.954 1.00 0.00 N ATOM 576 CA GLY A 162 -11.720 -4.964 -5.612 1.00 0.00 C ATOM 577 C GLY A 162 -11.337 -6.195 -4.814 1.00 0.00 C ATOM 578 O GLY A 162 -12.102 -6.654 -3.965 1.00 0.00 O ATOM 0 H GLY A 162 -9.703 -4.407 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.429 -4.368 -5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -12.229 -5.271 -6.526 1.00 0.00 H new ATOM 582 N ILE A 163 -10.152 -6.730 -5.085 1.00 0.00 N ATOM 583 CA ILE A 163 -9.669 -7.913 -4.387 1.00 0.00 C ATOM 584 C ILE A 163 -8.672 -7.537 -3.296 1.00 0.00 C ATOM 585 O ILE A 163 -7.784 -6.714 -3.511 1.00 0.00 O ATOM 586 CB ILE A 163 -9.001 -8.908 -5.356 1.00 0.00 C ATOM 587 CG1 ILE A 163 -9.908 -9.173 -6.560 1.00 0.00 C ATOM 588 CG2 ILE A 163 -8.670 -10.209 -4.639 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.177 -9.145 -7.885 1.00 0.00 C ATOM 0 H ILE A 163 -9.508 -6.362 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.539 -8.389 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.071 -8.468 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -10.385 -10.145 -6.438 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.703 -8.427 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -8.199 -10.900 -5.338 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -7.987 -10.006 -3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -9.586 -10.654 -4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -9.881 -9.341 -8.693 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -8.722 -8.165 -8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -8.400 -9.909 -7.888 1.00 0.00 H new ATOM 601 N MET A 164 -8.826 -8.147 -2.124 1.00 0.00 N ATOM 602 CA MET A 164 -7.939 -7.875 -1.000 1.00 0.00 C ATOM 603 C MET A 164 -6.494 -8.222 -1.349 1.00 0.00 C ATOM 604 O MET A 164 -6.232 -8.926 -2.324 1.00 0.00 O ATOM 605 CB MET A 164 -8.382 -8.671 0.230 1.00 0.00 C ATOM 606 CG MET A 164 -9.571 -8.057 0.954 1.00 0.00 C ATOM 607 SD MET A 164 -9.126 -7.356 2.555 1.00 0.00 S ATOM 608 CE MET A 164 -9.924 -5.755 2.456 1.00 0.00 C ATOM 0 H MET A 164 -9.556 -8.832 -1.929 1.00 0.00 H new ATOM 0 HA MET A 164 -7.994 -6.810 -0.776 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.637 -9.685 -0.076 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.545 -8.749 0.924 1.00 0.00 H new ATOM 0 HG2 MET A 164 -10.008 -7.278 0.330 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.337 -8.819 1.096 1.00 0.00 H new ATOM 0 HE1 MET A 164 -9.740 -5.199 3.376 1.00 0.00 H new ATOM 0 HE2 MET A 164 -9.521 -5.199 1.609 1.00 0.00 H new ATOM 0 HE3 MET A 164 -10.997 -5.891 2.323 1.00 0.00 H new ATOM 618 N GLN A 165 -5.561 -7.722 -0.546 1.00 0.00 N ATOM 619 CA GLN A 165 -4.143 -7.977 -0.771 1.00 0.00 C ATOM 620 C GLN A 165 -3.304 -7.446 0.387 1.00 0.00 C ATOM 621 O GLN A 165 -3.834 -6.866 1.336 1.00 0.00 O ATOM 622 CB GLN A 165 -3.687 -7.333 -2.081 1.00 0.00 C ATOM 623 CG GLN A 165 -3.956 -5.839 -2.151 1.00 0.00 C ATOM 624 CD GLN A 165 -5.155 -5.504 -3.016 1.00 0.00 C ATOM 625 OE1 GLN A 165 -6.198 -5.083 -2.514 1.00 0.00 O ATOM 626 NE2 GLN A 165 -5.012 -5.689 -4.323 1.00 0.00 N ATOM 0 H GLN A 165 -5.761 -7.138 0.266 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.001 -9.056 -0.836 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.619 -7.508 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.192 -7.824 -2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -4.120 -5.455 -1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.075 -5.333 -2.545 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -4.129 -6.040 -4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -5.785 -5.480 -4.955 1.00 0.00 H new ATOM 635 N ARG A 166 -1.993 -7.648 0.303 1.00 0.00 N ATOM 636 CA ARG A 166 -1.080 -7.188 1.344 1.00 0.00 C ATOM 637 C ARG A 166 0.246 -6.736 0.744 1.00 0.00 C ATOM 638 O ARG A 166 0.974 -7.530 0.151 1.00 0.00 O ATOM 639 CB ARG A 166 -0.837 -8.301 2.366 1.00 0.00 C ATOM 640 CG ARG A 166 -0.188 -9.542 1.773 1.00 0.00 C ATOM 641 CD ARG A 166 -1.000 -10.794 2.064 1.00 0.00 C ATOM 642 NE ARG A 166 -1.355 -10.902 3.478 1.00 0.00 N ATOM 643 CZ ARG A 166 -1.844 -12.006 4.038 1.00 0.00 C ATOM 644 NH1 ARG A 166 -2.034 -13.100 3.310 1.00 0.00 N ATOM 645 NH2 ARG A 166 -2.141 -12.019 5.331 1.00 0.00 N ATOM 0 H ARG A 166 -1.539 -8.127 -0.475 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.540 -6.337 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -0.203 -7.917 3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -1.788 -8.580 2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -0.083 -9.418 0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 166 0.817 -9.657 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -1.909 -10.784 1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -0.429 -11.673 1.766 1.00 0.00 H new ATOM 0 HE ARG A 166 -1.220 -10.083 4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -1.805 -13.097 2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -2.409 -13.943 3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -1.995 -11.183 5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -2.516 -12.865 5.760 1.00 0.00 H new ATOM 659 N PHE A 167 0.551 -5.450 0.900 1.00 0.00 N ATOM 660 CA PHE A 167 1.791 -4.890 0.372 1.00 0.00 C ATOM 661 C PHE A 167 2.991 -5.353 1.192 1.00 0.00 C ATOM 662 O PHE A 167 3.018 -5.196 2.413 1.00 0.00 O ATOM 663 CB PHE A 167 1.721 -3.362 0.365 1.00 0.00 C ATOM 664 CG PHE A 167 2.898 -2.711 -0.304 1.00 0.00 C ATOM 665 CD1 PHE A 167 4.046 -2.418 0.415 1.00 0.00 C ATOM 666 CD2 PHE A 167 2.858 -2.395 -1.652 1.00 0.00 C ATOM 667 CE1 PHE A 167 5.130 -1.821 -0.197 1.00 0.00 C ATOM 668 CE2 PHE A 167 3.939 -1.796 -2.270 1.00 0.00 C ATOM 669 CZ PHE A 167 5.077 -1.509 -1.543 1.00 0.00 C ATOM 0 H PHE A 167 -0.042 -4.778 1.387 1.00 0.00 H new ATOM 0 HA PHE A 167 1.915 -5.246 -0.651 1.00 0.00 H new ATOM 0 HB2 PHE A 167 0.807 -3.050 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 167 1.654 -3.005 1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 167 4.093 -2.660 1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 167 1.972 -2.619 -2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 167 6.019 -1.598 0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 167 3.894 -1.552 -3.321 1.00 0.00 H new ATOM 0 HZ PHE A 167 5.924 -1.042 -2.024 1.00 0.00 H new ATOM 679 N CYS A 168 3.980 -5.923 0.513 1.00 0.00 N ATOM 680 CA CYS A 168 5.184 -6.408 1.178 1.00 0.00 C ATOM 681 C CYS A 168 6.349 -5.447 0.965 1.00 0.00 C ATOM 682 O CYS A 168 6.198 -4.404 0.329 1.00 0.00 O ATOM 683 CB CYS A 168 5.552 -7.799 0.658 1.00 0.00 C ATOM 684 SG CYS A 168 6.159 -8.927 1.933 1.00 0.00 S ATOM 0 H CYS A 168 3.972 -6.061 -0.498 1.00 0.00 H new ATOM 0 HA CYS A 168 4.980 -6.469 2.247 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.676 -8.241 0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 168 6.315 -7.696 -0.114 1.00 0.00 H new ATOM 0 HG CYS A 168 6.441 -10.077 1.396 1.00 0.00 H new ATOM 690 N GLN A 169 7.510 -5.806 1.500 1.00 0.00 N ATOM 691 CA GLN A 169 8.701 -4.975 1.368 1.00 0.00 C ATOM 692 C GLN A 169 9.632 -5.528 0.294 1.00 0.00 C ATOM 693 O GLN A 169 10.113 -4.789 -0.565 1.00 0.00 O ATOM 694 CB GLN A 169 9.439 -4.888 2.705 1.00 0.00 C ATOM 695 CG GLN A 169 8.583 -4.340 3.837 1.00 0.00 C ATOM 696 CD GLN A 169 8.380 -5.344 4.954 1.00 0.00 C ATOM 697 OE1 GLN A 169 9.323 -5.710 5.656 1.00 0.00 O ATOM 698 NE2 GLN A 169 7.143 -5.795 5.127 1.00 0.00 N ATOM 0 H GLN A 169 7.652 -6.666 2.029 1.00 0.00 H new ATOM 0 HA GLN A 169 8.386 -3.975 1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.797 -5.881 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.318 -4.254 2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 169 9.052 -3.443 4.241 1.00 0.00 H new ATOM 0 HG3 GLN A 169 7.612 -4.041 3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 169 6.391 -5.465 4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 169 6.945 -6.471 5.864 1.00 0.00 H new ATOM 707 N GLN A 170 9.882 -6.833 0.350 1.00 0.00 N ATOM 708 CA GLN A 170 10.755 -7.485 -0.619 1.00 0.00 C ATOM 709 C GLN A 170 9.997 -7.802 -1.904 1.00 0.00 C ATOM 710 O GLN A 170 10.467 -7.509 -3.003 1.00 0.00 O ATOM 711 CB GLN A 170 11.341 -8.768 -0.023 1.00 0.00 C ATOM 712 CG GLN A 170 12.853 -8.730 0.131 1.00 0.00 C ATOM 713 CD GLN A 170 13.322 -7.580 1.000 1.00 0.00 C ATOM 714 OE1 GLN A 170 13.207 -6.414 0.621 1.00 0.00 O ATOM 715 NE2 GLN A 170 13.856 -7.904 2.173 1.00 0.00 N ATOM 0 H GLN A 170 9.493 -7.458 1.055 1.00 0.00 H new ATOM 0 HA GLN A 170 11.569 -6.802 -0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 170 10.889 -8.945 0.953 1.00 0.00 H new ATOM 0 HB3 GLN A 170 11.070 -9.611 -0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 170 13.194 -9.670 0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 170 13.313 -8.647 -0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 170 13.931 -8.884 2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 170 14.191 -7.173 2.800 1.00 0.00 H new ATOM 724 N CYS A 171 8.822 -8.406 -1.758 1.00 0.00 N ATOM 725 CA CYS A 171 7.998 -8.763 -2.907 1.00 0.00 C ATOM 726 C CYS A 171 7.625 -7.524 -3.716 1.00 0.00 C ATOM 727 O CYS A 171 7.563 -7.567 -4.944 1.00 0.00 O ATOM 728 CB CYS A 171 6.730 -9.486 -2.446 1.00 0.00 C ATOM 729 SG CYS A 171 7.030 -11.128 -1.751 1.00 0.00 S ATOM 0 H CYS A 171 8.419 -8.658 -0.855 1.00 0.00 H new ATOM 0 HA CYS A 171 8.578 -9.430 -3.545 1.00 0.00 H new ATOM 0 HB2 CYS A 171 6.226 -8.873 -1.699 1.00 0.00 H new ATOM 0 HB3 CYS A 171 6.050 -9.580 -3.292 1.00 0.00 H new ATOM 0 HG CYS A 171 5.900 -11.659 -1.388 1.00 0.00 H new ATOM 735 N SER A 172 7.379 -6.420 -3.016 1.00 0.00 N ATOM 736 CA SER A 172 7.013 -5.168 -3.668 1.00 0.00 C ATOM 737 C SER A 172 5.717 -5.325 -4.459 1.00 0.00 C ATOM 738 O SER A 172 5.260 -6.441 -4.706 1.00 0.00 O ATOM 739 CB SER A 172 8.138 -4.704 -4.596 1.00 0.00 C ATOM 740 OG SER A 172 9.077 -3.905 -3.898 1.00 0.00 O ATOM 0 H SER A 172 7.427 -6.368 -1.998 1.00 0.00 H new ATOM 0 HA SER A 172 6.857 -4.416 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 172 8.641 -5.571 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 172 7.718 -4.136 -5.426 1.00 0.00 H new ATOM 0 HG SER A 172 9.787 -3.622 -4.512 1.00 0.00 H new ATOM 746 N ARG A 173 5.131 -4.198 -4.854 1.00 0.00 N ATOM 747 CA ARG A 173 3.887 -4.209 -5.617 1.00 0.00 C ATOM 748 C ARG A 173 2.760 -4.844 -4.810 1.00 0.00 C ATOM 749 O ARG A 173 2.997 -5.708 -3.966 1.00 0.00 O ATOM 750 CB ARG A 173 4.076 -4.967 -6.934 1.00 0.00 C ATOM 751 CG ARG A 173 5.357 -4.604 -7.668 1.00 0.00 C ATOM 752 CD ARG A 173 5.116 -4.426 -9.158 1.00 0.00 C ATOM 753 NE ARG A 173 6.363 -4.442 -9.920 1.00 0.00 N ATOM 754 CZ ARG A 173 6.482 -3.962 -11.156 1.00 0.00 C ATOM 755 NH1 ARG A 173 5.435 -3.425 -11.772 1.00 0.00 N ATOM 756 NH2 ARG A 173 7.652 -4.017 -11.779 1.00 0.00 N ATOM 0 H ARG A 173 5.497 -3.266 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 173 3.617 -3.176 -5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 173 4.075 -6.038 -6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 173 3.225 -4.766 -7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 173 5.767 -3.683 -7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 173 6.101 -5.384 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 173 4.462 -5.220 -9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 173 4.597 -3.483 -9.331 1.00 0.00 H new ATOM 0 HE ARG A 173 7.190 -4.844 -9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 173 4.533 -3.379 -11.298 1.00 0.00 H new ATOM 0 HH12 ARG A 173 5.533 -3.059 -12.719 1.00 0.00 H new ATOM 0 HH21 ARG A 173 8.460 -4.427 -11.311 1.00 0.00 H new ATOM 0 HH22 ARG A 173 7.743 -3.649 -12.726 1.00 0.00 H new ATOM 770 N PHE A 174 1.533 -4.409 -5.077 1.00 0.00 N ATOM 771 CA PHE A 174 0.367 -4.935 -4.377 1.00 0.00 C ATOM 772 C PHE A 174 0.037 -6.346 -4.855 1.00 0.00 C ATOM 773 O PHE A 174 -0.485 -6.533 -5.954 1.00 0.00 O ATOM 774 CB PHE A 174 -0.838 -4.017 -4.587 1.00 0.00 C ATOM 775 CG PHE A 174 -1.017 -3.003 -3.494 1.00 0.00 C ATOM 776 CD1 PHE A 174 -1.215 -3.404 -2.182 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.986 -1.646 -3.779 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.380 -2.473 -1.175 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.149 -0.710 -2.775 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.347 -1.124 -1.472 1.00 0.00 C ATOM 0 H PHE A 174 1.320 -3.694 -5.773 1.00 0.00 H new ATOM 0 HA PHE A 174 0.601 -4.976 -3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.727 -3.498 -5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.740 -4.625 -4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -1.241 -4.457 -1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.833 -1.317 -4.796 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.535 -2.799 -0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.122 0.344 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.476 -0.394 -0.686 1.00 0.00 H new ATOM 790 N HIS A 175 0.349 -7.335 -4.025 1.00 0.00 N ATOM 791 CA HIS A 175 0.088 -8.728 -4.365 1.00 0.00 C ATOM 792 C HIS A 175 -1.062 -9.287 -3.535 1.00 0.00 C ATOM 793 O HIS A 175 -1.106 -9.111 -2.317 1.00 0.00 O ATOM 794 CB HIS A 175 1.345 -9.573 -4.146 1.00 0.00 C ATOM 795 CG HIS A 175 2.384 -9.386 -5.207 1.00 0.00 C ATOM 796 ND1 HIS A 175 2.197 -9.769 -6.518 1.00 0.00 N ATOM 797 CD2 HIS A 175 3.627 -8.854 -5.146 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.281 -9.481 -7.218 1.00 0.00 C ATOM 799 NE2 HIS A 175 4.164 -8.925 -6.409 1.00 0.00 N ATOM 0 H HIS A 175 0.783 -7.198 -3.112 1.00 0.00 H new ATOM 0 HA HIS A 175 -0.193 -8.770 -5.417 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.777 -9.322 -3.177 1.00 0.00 H new ATOM 0 HB3 HIS A 175 1.063 -10.625 -4.106 1.00 0.00 H new ATOM 0 HD2 HIS A 175 4.108 -8.449 -4.268 1.00 0.00 H new ATOM 0 HE1 HIS A 175 3.421 -9.669 -8.272 1.00 0.00 H new ATOM 0 HE2 HIS A 175 5.093 -8.601 -6.678 1.00 0.00 H new ATOM 807 N VAL A 176 -1.993 -9.964 -4.203 1.00 0.00 N ATOM 808 CA VAL A 176 -3.147 -10.553 -3.530 1.00 0.00 C ATOM 809 C VAL A 176 -2.715 -11.433 -2.359 1.00 0.00 C ATOM 810 O VAL A 176 -1.524 -11.556 -2.071 1.00 0.00 O ATOM 811 CB VAL A 176 -3.993 -11.392 -4.507 1.00 0.00 C ATOM 812 CG1 VAL A 176 -4.689 -10.494 -5.518 1.00 0.00 C ATOM 813 CG2 VAL A 176 -3.128 -12.426 -5.210 1.00 0.00 C ATOM 0 H VAL A 176 -1.970 -10.118 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 176 -3.750 -9.728 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 176 -4.758 -11.919 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -5.282 -11.104 -6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.342 -9.795 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -3.943 -9.938 -6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -3.743 -13.009 -5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -2.340 -11.922 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -2.681 -13.090 -4.470 1.00 0.00 H new ATOM 823 N LEU A 177 -3.686 -12.042 -1.688 1.00 0.00 N ATOM 824 CA LEU A 177 -3.401 -12.909 -0.547 1.00 0.00 C ATOM 825 C LEU A 177 -3.223 -14.359 -0.991 1.00 0.00 C ATOM 826 O LEU A 177 -3.665 -15.286 -0.310 1.00 0.00 O ATOM 827 CB LEU A 177 -4.528 -12.816 0.483 1.00 0.00 C ATOM 828 CG LEU A 177 -5.075 -11.404 0.723 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.592 -11.391 0.613 1.00 0.00 C ATOM 830 CD2 LEU A 177 -4.631 -10.882 2.082 1.00 0.00 C ATOM 0 H LEU A 177 -4.677 -11.953 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 177 -2.470 -12.572 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -5.348 -13.457 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -4.167 -13.215 1.431 1.00 0.00 H new ATOM 0 HG LEU A 177 -4.671 -10.745 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -6.961 -10.380 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -6.887 -11.719 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -7.017 -12.065 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -5.029 -9.879 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -5.003 -11.543 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -3.542 -10.850 2.122 1.00 0.00 H new ATOM 842 N GLU A 178 -2.573 -14.551 -2.135 1.00 0.00 N ATOM 843 CA GLU A 178 -2.335 -15.888 -2.668 1.00 0.00 C ATOM 844 C GLU A 178 -0.848 -16.234 -2.639 1.00 0.00 C ATOM 845 O GLU A 178 -0.474 -17.394 -2.466 1.00 0.00 O ATOM 846 CB GLU A 178 -2.866 -15.991 -4.098 1.00 0.00 C ATOM 847 CG GLU A 178 -4.276 -15.444 -4.264 1.00 0.00 C ATOM 848 CD GLU A 178 -5.299 -16.535 -4.513 1.00 0.00 C ATOM 849 OE1 GLU A 178 -4.935 -17.564 -5.119 1.00 0.00 O ATOM 850 OE2 GLU A 178 -6.467 -16.359 -4.103 1.00 0.00 O ATOM 0 H GLU A 178 -2.201 -13.796 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 178 -2.866 -16.601 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 178 -2.195 -15.451 -4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 178 -2.852 -17.036 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 178 -4.554 -14.888 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 178 -4.293 -14.739 -5.095 1.00 0.00 H new ATOM 857 N GLU A 179 -0.004 -15.221 -2.810 1.00 0.00 N ATOM 858 CA GLU A 179 1.440 -15.418 -2.806 1.00 0.00 C ATOM 859 C GLU A 179 2.032 -15.081 -1.441 1.00 0.00 C ATOM 860 O GLU A 179 3.173 -14.630 -1.344 1.00 0.00 O ATOM 861 CB GLU A 179 2.095 -14.557 -3.887 1.00 0.00 C ATOM 862 CG GLU A 179 3.586 -14.812 -4.051 1.00 0.00 C ATOM 863 CD GLU A 179 3.952 -15.264 -5.450 1.00 0.00 C ATOM 864 OE1 GLU A 179 3.083 -15.848 -6.132 1.00 0.00 O ATOM 865 OE2 GLU A 179 5.107 -15.034 -5.865 1.00 0.00 O ATOM 0 H GLU A 179 -0.297 -14.254 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 179 1.639 -16.468 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.597 -14.743 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 179 1.939 -13.506 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 179 4.135 -13.901 -3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 179 3.902 -15.570 -3.334 1.00 0.00 H new ATOM 872 N PHE A 180 1.251 -15.304 -0.391 1.00 0.00 N ATOM 873 CA PHE A 180 1.701 -15.023 0.968 1.00 0.00 C ATOM 874 C PHE A 180 1.282 -16.138 1.922 1.00 0.00 C ATOM 875 O PHE A 180 1.036 -15.898 3.104 1.00 0.00 O ATOM 876 CB PHE A 180 1.136 -13.686 1.451 1.00 0.00 C ATOM 877 CG PHE A 180 1.659 -12.502 0.688 1.00 0.00 C ATOM 878 CD1 PHE A 180 2.886 -11.942 1.011 1.00 0.00 C ATOM 879 CD2 PHE A 180 0.926 -11.950 -0.349 1.00 0.00 C ATOM 880 CE1 PHE A 180 3.370 -10.853 0.312 1.00 0.00 C ATOM 881 CE2 PHE A 180 1.406 -10.862 -1.053 1.00 0.00 C ATOM 882 CZ PHE A 180 2.629 -10.312 -0.721 1.00 0.00 C ATOM 0 H PHE A 180 0.304 -15.678 -0.454 1.00 0.00 H new ATOM 0 HA PHE A 180 2.789 -14.967 0.957 1.00 0.00 H new ATOM 0 HB2 PHE A 180 0.049 -13.709 1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 180 1.374 -13.561 2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 180 3.469 -12.362 1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 180 -0.032 -12.375 -0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 180 4.327 -10.425 0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 180 0.826 -10.442 -1.862 1.00 0.00 H new ATOM 0 HZ PHE A 180 3.005 -9.460 -1.268 1.00 0.00 H new ATOM 892 N ASP A 181 1.205 -17.358 1.400 1.00 0.00 N ATOM 893 CA ASP A 181 0.815 -18.511 2.204 1.00 0.00 C ATOM 894 C ASP A 181 1.948 -18.928 3.136 1.00 0.00 C ATOM 895 O ASP A 181 2.906 -19.566 2.653 1.00 0.00 O ATOM 896 CB ASP A 181 0.425 -19.681 1.301 1.00 0.00 C ATOM 897 CG ASP A 181 -0.835 -19.403 0.506 1.00 0.00 C ATOM 898 OD1 ASP A 181 -1.718 -18.686 1.022 1.00 0.00 O ATOM 899 OD2 ASP A 181 -0.941 -19.903 -0.633 1.00 0.00 O ATOM 900 OXT ASP A 181 1.866 -18.612 4.343 1.00 0.00 O ATOM 0 H ASP A 181 1.407 -17.574 0.424 1.00 0.00 H new ATOM 0 HA ASP A 181 -0.046 -18.228 2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 181 1.244 -19.895 0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 181 0.278 -20.573 1.910 1.00 0.00 H new TER 905 ASP A 181 HETATM 906 ZN ZN A 182 -3.459 3.424 2.378 1.00 0.00 ZN