USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 593 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 Set 1.1: A 69 TYR OH : rot 180:sc= -0.503 USER MOD Set 1.2: A 73 HIS : no HE2:sc= 0.0937 K(o=-0.41,f=-1.4) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -0.622 F(o=-2!,f=-0.62) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 24 HIS : no HD1:sc= 0.0287 X(o=0.029,f=-0.42) USER MOD Single : A 26 MET CE :methyl -113:sc= -0.831 (180deg=-2.86!) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= -0.0435 (180deg=-0.386) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.14) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0892 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -120:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 80:sc= 0.0477 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 2:sc= 0.956 USER MOD Single : A 86 LYS NZ :NH3+ -152:sc= -0.168 (180deg=-0.271) USER MOD Single : A 88 MET CE :methyl -157:sc= -0.0959 (180deg=-0.512) USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -0.666 5.891 -4.791 1.00 0.00 N ATOM 98 CA VAL A 10 -1.379 5.228 -3.707 1.00 0.00 C ATOM 99 C VAL A 10 -1.961 3.895 -4.165 1.00 0.00 C ATOM 100 O VAL A 10 -2.642 3.821 -5.188 1.00 0.00 O ATOM 101 CB VAL A 10 -2.517 6.111 -3.161 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.313 6.723 -4.304 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.423 5.305 -2.242 1.00 0.00 C ATOM 0 HA VAL A 10 -0.653 5.051 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.077 6.922 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.113 7.343 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.654 7.336 -4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.743 5.929 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.221 5.945 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.856 4.473 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.842 4.919 -1.405 1.00 0.00 H new ATOM 113 N LEU A 11 -1.687 2.843 -3.401 1.00 0.00 N ATOM 114 CA LEU A 11 -2.184 1.511 -3.728 1.00 0.00 C ATOM 115 C LEU A 11 -3.347 1.125 -2.821 1.00 0.00 C ATOM 116 O LEU A 11 -3.168 0.911 -1.622 1.00 0.00 O ATOM 117 CB LEU A 11 -1.060 0.481 -3.601 1.00 0.00 C ATOM 118 CG LEU A 11 -1.496 -0.982 -3.519 1.00 0.00 C ATOM 119 CD1 LEU A 11 -1.994 -1.468 -4.871 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.350 -1.854 -3.026 1.00 0.00 C ATOM 0 H LEU A 11 -1.124 2.887 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.541 1.526 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.393 0.593 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.478 0.716 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.316 -1.056 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.300 -2.511 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.845 -0.863 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.195 -1.379 -5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.679 -2.892 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.491 -1.774 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.040 -1.522 -2.035 1.00 0.00 H new ATOM 132 N ASP A 12 -4.539 1.036 -3.401 1.00 0.00 N ATOM 133 CA ASP A 12 -5.732 0.673 -2.645 1.00 0.00 C ATOM 134 C ASP A 12 -5.764 -0.827 -2.368 1.00 0.00 C ATOM 135 O ASP A 12 -6.001 -1.631 -3.270 1.00 0.00 O ATOM 136 CB ASP A 12 -6.991 1.090 -3.407 1.00 0.00 C ATOM 137 CG ASP A 12 -7.320 0.143 -4.544 1.00 0.00 C ATOM 138 OD1 ASP A 12 -6.464 -0.033 -5.437 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.433 -0.423 -4.541 1.00 0.00 O ATOM 0 H ASP A 12 -4.705 1.210 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.702 1.200 -1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.833 1.130 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.855 2.096 -3.804 1.00 0.00 H new ATOM 144 N LEU A 13 -5.522 -1.197 -1.115 1.00 0.00 N ATOM 145 CA LEU A 13 -5.522 -2.601 -0.718 1.00 0.00 C ATOM 146 C LEU A 13 -6.915 -3.043 -0.282 1.00 0.00 C ATOM 147 O LEU A 13 -7.289 -4.205 -0.448 1.00 0.00 O ATOM 148 CB LEU A 13 -4.523 -2.830 0.417 1.00 0.00 C ATOM 149 CG LEU A 13 -3.044 -2.775 0.031 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.166 -2.898 1.267 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.714 -3.870 -0.972 1.00 0.00 C ATOM 0 H LEU A 13 -5.323 -0.544 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.225 -3.197 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.704 -2.083 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.726 -3.804 0.862 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.845 -1.811 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.117 -2.857 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.384 -2.078 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.367 -3.847 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.658 -3.816 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.929 -4.844 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.319 -3.736 -1.869 1.00 0.00 H new ATOM 163 N HIS A 14 -7.681 -2.109 0.273 1.00 0.00 N ATOM 164 CA HIS A 14 -9.034 -2.403 0.730 1.00 0.00 C ATOM 165 C HIS A 14 -9.854 -3.053 -0.380 1.00 0.00 C ATOM 166 O HIS A 14 -10.021 -2.482 -1.457 1.00 0.00 O ATOM 167 CB HIS A 14 -9.723 -1.123 1.206 1.00 0.00 C ATOM 168 CG HIS A 14 -11.217 -1.224 1.239 1.00 0.00 C ATOM 169 ND1 HIS A 14 -12.121 -1.317 0.236 1.00 0.00 N flip ATOM 170 CD2 HIS A 14 -11.945 -1.235 2.411 1.00 0.00 C flip ATOM 171 CE1 HIS A 14 -13.365 -1.383 0.813 1.00 0.00 C flip ATOM 172 NE2 HIS A 14 -13.231 -1.332 2.126 1.00 0.00 N flip ATOM 0 H HIS A 14 -7.388 -1.143 0.417 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.965 -3.102 1.563 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.362 -0.875 2.204 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.437 -0.301 0.550 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -11.916 -1.335 -0.763 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.529 -1.174 3.406 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.301 -1.464 0.280 1.00 0.00 H new ATOM 180 N GLY A 15 -10.362 -4.252 -0.110 1.00 0.00 N ATOM 181 CA GLY A 15 -11.157 -4.960 -1.096 1.00 0.00 C ATOM 182 C GLY A 15 -10.534 -6.281 -1.503 1.00 0.00 C ATOM 183 O GLY A 15 -11.241 -7.251 -1.777 1.00 0.00 O ATOM 0 H GLY A 15 -10.237 -4.745 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.154 -5.141 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.279 -4.332 -1.979 1.00 0.00 H new ATOM 187 N LEU A 16 -9.206 -6.319 -1.544 1.00 0.00 N ATOM 188 CA LEU A 16 -8.487 -7.531 -1.923 1.00 0.00 C ATOM 189 C LEU A 16 -8.361 -8.482 -0.737 1.00 0.00 C ATOM 190 O LEU A 16 -8.792 -8.167 0.373 1.00 0.00 O ATOM 191 CB LEU A 16 -7.098 -7.177 -2.457 1.00 0.00 C ATOM 192 CG LEU A 16 -7.045 -6.651 -3.892 1.00 0.00 C ATOM 193 CD1 LEU A 16 -5.847 -5.733 -4.080 1.00 0.00 C ATOM 194 CD2 LEU A 16 -6.995 -7.806 -4.882 1.00 0.00 C ATOM 0 H LEU A 16 -8.606 -5.525 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.055 -8.031 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.658 -6.427 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.469 -8.065 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.951 -6.075 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.826 -5.368 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.926 -4.888 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.930 -6.284 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.958 -7.413 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.107 -8.409 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.885 -8.425 -4.765 1.00 0.00 H new ATOM 206 N HIS A 17 -7.767 -9.646 -0.979 1.00 0.00 N ATOM 207 CA HIS A 17 -7.581 -10.642 0.070 1.00 0.00 C ATOM 208 C HIS A 17 -6.209 -10.496 0.721 1.00 0.00 C ATOM 209 O HIS A 17 -5.236 -10.123 0.066 1.00 0.00 O ATOM 210 CB HIS A 17 -7.740 -12.051 -0.502 1.00 0.00 C ATOM 211 CG HIS A 17 -7.996 -13.096 0.540 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.156 -14.169 0.753 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.004 -13.226 1.434 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.637 -14.915 1.730 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.758 -14.365 2.161 1.00 0.00 N ATOM 0 H HIS A 17 -7.406 -9.923 -1.892 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.344 -10.479 0.831 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.563 -12.053 -1.217 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.838 -12.314 -1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.845 -12.559 1.553 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.190 -15.821 2.112 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.346 -14.727 2.912 1.00 0.00 H new ATOM 223 N VAL A 18 -6.140 -10.792 2.015 1.00 0.00 N ATOM 224 CA VAL A 18 -4.887 -10.695 2.756 1.00 0.00 C ATOM 225 C VAL A 18 -3.703 -11.108 1.889 1.00 0.00 C ATOM 226 O VAL A 18 -2.682 -10.421 1.846 1.00 0.00 O ATOM 227 CB VAL A 18 -4.914 -11.571 4.022 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.540 -11.607 4.675 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.965 -11.065 4.998 1.00 0.00 C ATOM 0 H VAL A 18 -6.937 -11.101 2.572 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.772 -9.651 3.049 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.180 -12.588 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.578 -12.231 5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.815 -12.021 3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.242 -10.596 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.970 -11.696 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.733 -10.039 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.946 -11.097 4.525 1.00 0.00 H new ATOM 239 N ASP A 19 -3.847 -12.234 1.199 1.00 0.00 N ATOM 240 CA ASP A 19 -2.789 -12.739 0.331 1.00 0.00 C ATOM 241 C ASP A 19 -2.522 -11.773 -0.819 1.00 0.00 C ATOM 242 O ASP A 19 -1.406 -11.279 -0.980 1.00 0.00 O ATOM 243 CB ASP A 19 -3.166 -14.115 -0.220 1.00 0.00 C ATOM 244 CG ASP A 19 -2.065 -14.720 -1.069 1.00 0.00 C ATOM 245 OD1 ASP A 19 -1.612 -14.048 -2.019 1.00 0.00 O ATOM 246 OD2 ASP A 19 -1.657 -15.866 -0.784 1.00 0.00 O ATOM 0 H ASP A 19 -4.685 -12.814 1.224 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.879 -12.830 0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.392 -14.786 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.074 -14.028 -0.816 1.00 0.00 H new ATOM 251 N GLU A 20 -3.553 -11.509 -1.615 1.00 0.00 N ATOM 252 CA GLU A 20 -3.428 -10.604 -2.751 1.00 0.00 C ATOM 253 C GLU A 20 -2.701 -9.324 -2.349 1.00 0.00 C ATOM 254 O GLU A 20 -1.625 -9.020 -2.865 1.00 0.00 O ATOM 255 CB GLU A 20 -4.809 -10.263 -3.315 1.00 0.00 C ATOM 256 CG GLU A 20 -5.276 -11.219 -4.400 1.00 0.00 C ATOM 257 CD GLU A 20 -4.779 -10.826 -5.777 1.00 0.00 C ATOM 258 OE1 GLU A 20 -4.543 -9.621 -6.002 1.00 0.00 O ATOM 259 OE2 GLU A 20 -4.625 -11.725 -6.630 1.00 0.00 O ATOM 0 H GLU A 20 -4.484 -11.909 -1.494 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.843 -11.108 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.535 -10.267 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.788 -9.251 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.929 -12.225 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.366 -11.251 -4.407 1.00 0.00 H new ATOM 266 N ALA A 21 -3.296 -8.577 -1.425 1.00 0.00 N ATOM 267 CA ALA A 21 -2.706 -7.331 -0.952 1.00 0.00 C ATOM 268 C ALA A 21 -1.200 -7.476 -0.759 1.00 0.00 C ATOM 269 O ALA A 21 -0.417 -6.684 -1.285 1.00 0.00 O ATOM 270 CB ALA A 21 -3.367 -6.893 0.346 1.00 0.00 C ATOM 0 H ALA A 21 -4.187 -8.813 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.877 -6.566 -1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.916 -5.961 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.433 -6.740 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.226 -7.663 1.104 1.00 0.00 H new ATOM 276 N LEU A 22 -0.801 -8.492 -0.001 1.00 0.00 N ATOM 277 CA LEU A 22 0.613 -8.740 0.262 1.00 0.00 C ATOM 278 C LEU A 22 1.408 -8.793 -1.038 1.00 0.00 C ATOM 279 O LEU A 22 2.268 -7.948 -1.285 1.00 0.00 O ATOM 280 CB LEU A 22 0.785 -10.050 1.033 1.00 0.00 C ATOM 281 CG LEU A 22 0.545 -9.978 2.541 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.649 -11.361 3.165 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.532 -9.022 3.193 1.00 0.00 C ATOM 0 H LEU A 22 -1.436 -9.157 0.442 1.00 0.00 H new ATOM 0 HA LEU A 22 0.995 -7.917 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.103 -10.788 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.797 -10.418 0.864 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.463 -9.600 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.475 -11.290 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.098 -12.018 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.644 -11.768 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.346 -8.983 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.549 -9.370 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.409 -8.026 2.767 1.00 0.00 H new ATOM 295 N GLU A 23 1.112 -9.790 -1.867 1.00 0.00 N ATOM 296 CA GLU A 23 1.800 -9.952 -3.142 1.00 0.00 C ATOM 297 C GLU A 23 1.923 -8.614 -3.867 1.00 0.00 C ATOM 298 O GLU A 23 2.963 -8.304 -4.448 1.00 0.00 O ATOM 299 CB GLU A 23 1.055 -10.956 -4.025 1.00 0.00 C ATOM 300 CG GLU A 23 0.964 -12.347 -3.421 1.00 0.00 C ATOM 301 CD GLU A 23 2.240 -13.146 -3.602 1.00 0.00 C ATOM 302 OE1 GLU A 23 2.633 -13.383 -4.763 1.00 0.00 O ATOM 303 OE2 GLU A 23 2.846 -13.534 -2.581 1.00 0.00 O ATOM 0 H GLU A 23 0.401 -10.497 -1.678 1.00 0.00 H new ATOM 0 HA GLU A 23 2.802 -10.330 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.048 -10.584 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.557 -11.020 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.740 -12.263 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.135 -12.885 -3.880 1.00 0.00 H new ATOM 310 N HIS A 24 0.853 -7.827 -3.829 1.00 0.00 N ATOM 311 CA HIS A 24 0.840 -6.522 -4.482 1.00 0.00 C ATOM 312 C HIS A 24 1.795 -5.557 -3.786 1.00 0.00 C ATOM 313 O HIS A 24 2.527 -4.812 -4.439 1.00 0.00 O ATOM 314 CB HIS A 24 -0.576 -5.944 -4.485 1.00 0.00 C ATOM 315 CG HIS A 24 -1.420 -6.434 -5.622 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.129 -6.169 -6.943 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.551 -7.177 -5.628 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.046 -6.727 -7.714 1.00 0.00 C ATOM 319 NE2 HIS A 24 -2.920 -7.345 -6.940 1.00 0.00 N ATOM 0 H HIS A 24 -0.016 -8.069 -3.353 1.00 0.00 H new ATOM 0 HA HIS A 24 1.172 -6.655 -5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.065 -6.197 -3.544 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.516 -4.857 -4.530 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.067 -7.565 -4.762 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.076 -6.685 -8.793 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.737 -7.863 -7.264 1.00 0.00 H new ATOM 327 N LEU A 25 1.781 -5.574 -2.458 1.00 0.00 N ATOM 328 CA LEU A 25 2.646 -4.700 -1.672 1.00 0.00 C ATOM 329 C LEU A 25 4.105 -4.864 -2.085 1.00 0.00 C ATOM 330 O LEU A 25 4.873 -3.902 -2.080 1.00 0.00 O ATOM 331 CB LEU A 25 2.489 -5.001 -0.181 1.00 0.00 C ATOM 332 CG LEU A 25 3.425 -4.241 0.759 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.798 -2.923 1.187 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.766 -5.091 1.975 1.00 0.00 C ATOM 0 H LEU A 25 1.180 -6.183 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 25 2.348 -3.669 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.461 -4.782 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.642 -6.069 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 25 4.348 -4.023 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.479 -2.396 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.606 -2.309 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.859 -3.118 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.433 -4.534 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.851 -5.341 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.258 -6.008 1.651 1.00 0.00 H new ATOM 346 N MET A 26 4.480 -6.087 -2.443 1.00 0.00 N ATOM 347 CA MET A 26 5.846 -6.376 -2.863 1.00 0.00 C ATOM 348 C MET A 26 6.112 -5.831 -4.262 1.00 0.00 C ATOM 349 O MET A 26 7.048 -5.058 -4.470 1.00 0.00 O ATOM 350 CB MET A 26 6.104 -7.883 -2.832 1.00 0.00 C ATOM 351 CG MET A 26 5.826 -8.520 -1.480 1.00 0.00 C ATOM 352 SD MET A 26 5.999 -10.315 -1.509 1.00 0.00 S ATOM 353 CE MET A 26 4.441 -10.817 -0.781 1.00 0.00 C ATOM 0 H MET A 26 3.857 -6.894 -2.451 1.00 0.00 H new ATOM 0 HA MET A 26 6.525 -5.884 -2.166 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.482 -8.365 -3.586 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.142 -8.071 -3.107 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.510 -8.105 -0.740 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.816 -8.261 -1.162 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.625 -11.280 0.188 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.802 -9.944 -0.651 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.947 -11.533 -1.437 1.00 0.00 H new ATOM 363 N ARG A 27 5.284 -6.238 -5.218 1.00 0.00 N ATOM 364 CA ARG A 27 5.432 -5.792 -6.598 1.00 0.00 C ATOM 365 C ARG A 27 5.424 -4.268 -6.680 1.00 0.00 C ATOM 366 O ARG A 27 6.316 -3.663 -7.276 1.00 0.00 O ATOM 367 CB ARG A 27 4.309 -6.365 -7.465 1.00 0.00 C ATOM 368 CG ARG A 27 4.620 -7.741 -8.032 1.00 0.00 C ATOM 369 CD ARG A 27 4.794 -8.772 -6.928 1.00 0.00 C ATOM 370 NE ARG A 27 5.368 -10.018 -7.429 1.00 0.00 N ATOM 371 CZ ARG A 27 4.652 -10.979 -8.002 1.00 0.00 C ATOM 372 NH1 ARG A 27 3.341 -10.838 -8.147 1.00 0.00 N ATOM 373 NH2 ARG A 27 5.246 -12.085 -8.432 1.00 0.00 N ATOM 0 H ARG A 27 4.504 -6.876 -5.062 1.00 0.00 H new ATOM 0 HA ARG A 27 6.390 -6.155 -6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.397 -6.424 -6.871 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.110 -5.678 -8.288 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.815 -8.052 -8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.529 -7.692 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.438 -8.364 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.827 -8.977 -6.468 1.00 0.00 H new ATOM 0 HE ARG A 27 6.374 -10.158 -7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.880 -9.990 -7.818 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.794 -11.578 -8.587 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.254 -12.198 -8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.695 -12.822 -8.872 1.00 0.00 H new ATOM 387 N VAL A 28 4.410 -3.653 -6.079 1.00 0.00 N ATOM 388 CA VAL A 28 4.286 -2.200 -6.083 1.00 0.00 C ATOM 389 C VAL A 28 5.498 -1.544 -5.432 1.00 0.00 C ATOM 390 O VAL A 28 5.901 -0.443 -5.812 1.00 0.00 O ATOM 391 CB VAL A 28 3.012 -1.744 -5.349 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.771 -2.263 -6.059 1.00 0.00 C ATOM 393 CG2 VAL A 28 3.039 -2.205 -3.899 1.00 0.00 C ATOM 0 H VAL A 28 3.662 -4.139 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 28 4.225 -1.890 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 28 2.978 -0.655 -5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.881 -1.930 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.748 -1.879 -7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.794 -3.353 -6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.131 -1.874 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.097 -3.293 -3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.908 -1.779 -3.398 1.00 0.00 H new ATOM 403 N LEU A 29 6.076 -2.225 -4.448 1.00 0.00 N ATOM 404 CA LEU A 29 7.244 -1.708 -3.743 1.00 0.00 C ATOM 405 C LEU A 29 8.448 -1.619 -4.675 1.00 0.00 C ATOM 406 O LEU A 29 9.293 -0.737 -4.530 1.00 0.00 O ATOM 407 CB LEU A 29 7.576 -2.599 -2.545 1.00 0.00 C ATOM 408 CG LEU A 29 6.905 -2.224 -1.223 1.00 0.00 C ATOM 409 CD1 LEU A 29 7.013 -3.367 -0.226 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.524 -0.956 -0.652 1.00 0.00 C ATOM 0 H LEU A 29 5.755 -3.136 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 29 7.009 -0.705 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.299 -3.624 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.656 -2.588 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 29 5.849 -2.035 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.530 -3.082 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.523 -4.252 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.064 -3.588 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.034 -0.704 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.587 -1.118 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.394 -0.137 -1.360 1.00 0.00 H new ATOM 422 N GLU A 30 8.517 -2.539 -5.632 1.00 0.00 N ATOM 423 CA GLU A 30 9.618 -2.563 -6.589 1.00 0.00 C ATOM 424 C GLU A 30 9.282 -1.734 -7.825 1.00 0.00 C ATOM 425 O GLU A 30 10.163 -1.137 -8.445 1.00 0.00 O ATOM 426 CB GLU A 30 9.936 -4.003 -6.998 1.00 0.00 C ATOM 427 CG GLU A 30 10.943 -4.686 -6.088 1.00 0.00 C ATOM 428 CD GLU A 30 12.346 -4.134 -6.254 1.00 0.00 C ATOM 429 OE1 GLU A 30 12.867 -4.170 -7.388 1.00 0.00 O ATOM 430 OE2 GLU A 30 12.923 -3.668 -5.249 1.00 0.00 O ATOM 0 H GLU A 30 7.825 -3.276 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 30 10.494 -2.128 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.013 -4.582 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.320 -4.006 -8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.630 -4.567 -5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.950 -5.756 -6.298 1.00 0.00 H new ATOM 437 N LYS A 31 8.002 -1.701 -8.179 1.00 0.00 N ATOM 438 CA LYS A 31 7.548 -0.946 -9.340 1.00 0.00 C ATOM 439 C LYS A 31 7.415 0.537 -9.007 1.00 0.00 C ATOM 440 O LYS A 31 8.018 1.388 -9.661 1.00 0.00 O ATOM 441 CB LYS A 31 6.206 -1.490 -9.836 1.00 0.00 C ATOM 442 CG LYS A 31 6.005 -1.341 -11.334 1.00 0.00 C ATOM 443 CD LYS A 31 6.427 -2.595 -12.080 1.00 0.00 C ATOM 444 CE LYS A 31 7.879 -2.517 -12.526 1.00 0.00 C ATOM 445 NZ LYS A 31 8.081 -1.483 -13.578 1.00 0.00 N ATOM 0 H LYS A 31 7.260 -2.189 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 31 8.292 -1.058 -10.128 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.131 -2.545 -9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.399 -0.973 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.956 -1.128 -11.542 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.581 -0.490 -11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.289 -3.465 -11.438 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.785 -2.735 -12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.511 -2.290 -11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.195 -3.488 -12.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.929 -1.715 -14.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.251 -1.459 -14.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.204 -0.552 -13.131 1.00 0.00 H new ATOM 459 N LYS A 32 6.623 0.840 -7.984 1.00 0.00 N ATOM 460 CA LYS A 32 6.413 2.219 -7.560 1.00 0.00 C ATOM 461 C LYS A 32 7.739 2.965 -7.456 1.00 0.00 C ATOM 462 O LYS A 32 7.948 3.979 -8.123 1.00 0.00 O ATOM 463 CB LYS A 32 5.688 2.256 -6.213 1.00 0.00 C ATOM 464 CG LYS A 32 4.292 1.658 -6.257 1.00 0.00 C ATOM 465 CD LYS A 32 3.272 2.661 -6.769 1.00 0.00 C ATOM 466 CE LYS A 32 1.849 2.201 -6.490 1.00 0.00 C ATOM 467 NZ LYS A 32 0.864 3.301 -6.676 1.00 0.00 N ATOM 0 H LYS A 32 6.115 0.148 -7.433 1.00 0.00 H new ATOM 0 HA LYS A 32 5.797 2.713 -8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.282 1.717 -5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.621 3.290 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.292 0.778 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.006 1.324 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.442 3.628 -6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.406 2.803 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.598 1.373 -7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.783 1.823 -5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.093 2.947 -6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.088 4.081 -6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.909 3.645 -7.657 1.00 0.00 H new ATOM 481 N THR A 33 8.635 2.455 -6.617 1.00 0.00 N ATOM 482 CA THR A 33 9.942 3.072 -6.426 1.00 0.00 C ATOM 483 C THR A 33 10.686 3.205 -7.750 1.00 0.00 C ATOM 484 O THR A 33 11.522 4.093 -7.915 1.00 0.00 O ATOM 485 CB THR A 33 10.808 2.261 -5.443 1.00 0.00 C ATOM 486 OG1 THR A 33 11.968 3.015 -5.075 1.00 0.00 O ATOM 487 CG2 THR A 33 11.232 0.937 -6.061 1.00 0.00 C ATOM 0 H THR A 33 8.479 1.616 -6.059 1.00 0.00 H new ATOM 0 HA THR A 33 9.765 4.064 -6.010 1.00 0.00 H new ATOM 0 HB THR A 33 10.213 2.054 -4.554 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.512 2.493 -4.449 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.842 0.382 -5.349 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.347 0.353 -6.313 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.811 1.126 -6.965 1.00 0.00 H new ATOM 495 N GLU A 34 10.375 2.319 -8.690 1.00 0.00 N ATOM 496 CA GLU A 34 11.015 2.339 -10.000 1.00 0.00 C ATOM 497 C GLU A 34 10.947 3.733 -10.617 1.00 0.00 C ATOM 498 O GLU A 34 11.975 4.357 -10.878 1.00 0.00 O ATOM 499 CB GLU A 34 10.351 1.324 -10.933 1.00 0.00 C ATOM 500 CG GLU A 34 11.306 0.708 -11.942 1.00 0.00 C ATOM 501 CD GLU A 34 12.646 0.346 -11.331 1.00 0.00 C ATOM 502 OE1 GLU A 34 12.663 -0.454 -10.372 1.00 0.00 O ATOM 503 OE2 GLU A 34 13.676 0.862 -11.810 1.00 0.00 O ATOM 0 H GLU A 34 9.684 1.578 -8.569 1.00 0.00 H new ATOM 0 HA GLU A 34 12.063 2.069 -9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.907 0.529 -10.334 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.537 1.813 -11.468 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.851 -0.187 -12.368 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.462 1.408 -12.763 1.00 0.00 H new ATOM 510 N GLU A 35 9.729 4.213 -10.848 1.00 0.00 N ATOM 511 CA GLU A 35 9.528 5.533 -11.435 1.00 0.00 C ATOM 512 C GLU A 35 10.077 6.625 -10.521 1.00 0.00 C ATOM 513 O GLU A 35 10.659 7.605 -10.987 1.00 0.00 O ATOM 514 CB GLU A 35 8.041 5.775 -11.702 1.00 0.00 C ATOM 515 CG GLU A 35 7.462 4.876 -12.781 1.00 0.00 C ATOM 516 CD GLU A 35 6.083 5.318 -13.231 1.00 0.00 C ATOM 517 OE1 GLU A 35 5.976 6.408 -13.831 1.00 0.00 O ATOM 518 OE2 GLU A 35 5.111 4.574 -12.983 1.00 0.00 O ATOM 0 H GLU A 35 8.868 3.709 -10.638 1.00 0.00 H new ATOM 0 HA GLU A 35 10.070 5.569 -12.380 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.485 5.623 -10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.897 6.816 -11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.134 4.866 -13.639 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.408 3.854 -12.406 1.00 0.00 H new ATOM 525 N PHE A 36 9.886 6.449 -9.218 1.00 0.00 N ATOM 526 CA PHE A 36 10.359 7.419 -8.238 1.00 0.00 C ATOM 527 C PHE A 36 11.824 7.769 -8.483 1.00 0.00 C ATOM 528 O PHE A 36 12.232 8.922 -8.342 1.00 0.00 O ATOM 529 CB PHE A 36 10.184 6.870 -6.820 1.00 0.00 C ATOM 530 CG PHE A 36 11.175 7.425 -5.837 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.263 8.790 -5.617 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.018 6.581 -5.132 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.173 9.304 -4.712 1.00 0.00 C ATOM 534 CE2 PHE A 36 12.929 7.088 -4.226 1.00 0.00 C ATOM 535 CZ PHE A 36 13.008 8.451 -4.016 1.00 0.00 C ATOM 0 H PHE A 36 9.407 5.643 -8.816 1.00 0.00 H new ATOM 0 HA PHE A 36 9.764 8.326 -8.345 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.175 7.095 -6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.278 5.784 -6.845 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.613 9.461 -6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 36 11.962 5.514 -5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.231 10.370 -4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.579 6.419 -3.682 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.721 8.849 -3.309 1.00 0.00 H new ATOM 545 N LYS A 37 12.613 6.764 -8.850 1.00 0.00 N ATOM 546 CA LYS A 37 14.032 6.963 -9.116 1.00 0.00 C ATOM 547 C LYS A 37 14.274 7.254 -10.593 1.00 0.00 C ATOM 548 O LYS A 37 14.918 8.243 -10.942 1.00 0.00 O ATOM 549 CB LYS A 37 14.830 5.727 -8.692 1.00 0.00 C ATOM 550 CG LYS A 37 14.902 5.537 -7.186 1.00 0.00 C ATOM 551 CD LYS A 37 14.999 4.067 -6.814 1.00 0.00 C ATOM 552 CE LYS A 37 16.359 3.489 -7.173 1.00 0.00 C ATOM 553 NZ LYS A 37 16.491 2.071 -6.739 1.00 0.00 N ATOM 0 H LYS A 37 12.293 5.803 -8.970 1.00 0.00 H new ATOM 0 HA LYS A 37 14.367 7.822 -8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.379 4.842 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.842 5.804 -9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.767 6.071 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.018 5.974 -6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.823 3.949 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.218 3.508 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.508 3.554 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.142 4.086 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.432 1.714 -7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.374 2.011 -5.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.760 1.496 -7.204 1.00 0.00 H new ATOM 567 N GLN A 38 13.751 6.388 -11.456 1.00 0.00 N ATOM 568 CA GLN A 38 13.910 6.554 -12.895 1.00 0.00 C ATOM 569 C GLN A 38 13.404 7.921 -13.345 1.00 0.00 C ATOM 570 O GLN A 38 14.141 8.698 -13.950 1.00 0.00 O ATOM 571 CB GLN A 38 13.163 5.449 -13.643 1.00 0.00 C ATOM 572 CG GLN A 38 13.777 4.070 -13.464 1.00 0.00 C ATOM 573 CD GLN A 38 15.213 4.005 -13.945 1.00 0.00 C ATOM 574 OE1 GLN A 38 15.475 3.835 -15.136 1.00 0.00 O ATOM 575 NE2 GLN A 38 16.154 4.139 -13.018 1.00 0.00 N ATOM 0 H GLN A 38 13.214 5.565 -11.183 1.00 0.00 H new ATOM 0 HA GLN A 38 14.973 6.486 -13.128 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.129 5.424 -13.299 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.140 5.692 -14.705 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.738 3.793 -12.411 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.182 3.338 -14.009 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.892 4.278 -12.042 1.00 0.00 H new ATOM 0 HE22 GLN A 38 17.139 4.103 -13.282 1.00 0.00 H new ATOM 584 N ASN A 39 12.141 8.207 -13.045 1.00 0.00 N ATOM 585 CA ASN A 39 11.536 9.480 -13.419 1.00 0.00 C ATOM 586 C ASN A 39 11.704 10.510 -12.307 1.00 0.00 C ATOM 587 O ASN A 39 12.419 11.499 -12.465 1.00 0.00 O ATOM 588 CB ASN A 39 10.051 9.289 -13.733 1.00 0.00 C ATOM 589 CG ASN A 39 9.426 10.528 -14.347 1.00 0.00 C ATOM 590 OD1 ASN A 39 9.507 10.743 -15.557 1.00 0.00 O ATOM 591 ND2 ASN A 39 8.799 11.349 -13.513 1.00 0.00 N ATOM 0 H ASN A 39 11.517 7.574 -12.544 1.00 0.00 H new ATOM 0 HA ASN A 39 12.045 9.848 -14.310 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.932 8.448 -14.417 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.519 9.033 -12.817 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.359 12.198 -13.868 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.757 11.130 -12.518 1.00 0.00 H new ATOM 598 N GLY A 40 11.041 10.270 -11.180 1.00 0.00 N ATOM 599 CA GLY A 40 11.130 11.184 -10.057 1.00 0.00 C ATOM 600 C GLY A 40 9.820 11.308 -9.304 1.00 0.00 C ATOM 601 O GLY A 40 8.801 11.691 -9.876 1.00 0.00 O ATOM 0 H GLY A 40 10.443 9.458 -11.025 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.907 10.841 -9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.433 12.167 -10.416 1.00 0.00 H new ATOM 605 N GLY A 41 9.846 10.981 -8.015 1.00 0.00 N ATOM 606 CA GLY A 41 8.646 11.062 -7.205 1.00 0.00 C ATOM 607 C GLY A 41 8.952 11.162 -5.723 1.00 0.00 C ATOM 608 O GLY A 41 10.089 11.425 -5.333 1.00 0.00 O ATOM 0 H GLY A 41 10.677 10.661 -7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.062 11.930 -7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.029 10.182 -7.387 1.00 0.00 H new ATOM 612 N LYS A 42 7.934 10.953 -4.895 1.00 0.00 N ATOM 613 CA LYS A 42 8.098 11.022 -3.448 1.00 0.00 C ATOM 614 C LYS A 42 8.863 9.809 -2.929 1.00 0.00 C ATOM 615 O LYS A 42 8.692 8.686 -3.406 1.00 0.00 O ATOM 616 CB LYS A 42 6.732 11.107 -2.763 1.00 0.00 C ATOM 617 CG LYS A 42 5.958 12.368 -3.105 1.00 0.00 C ATOM 618 CD LYS A 42 4.500 12.258 -2.690 1.00 0.00 C ATOM 619 CE LYS A 42 3.737 13.538 -2.991 1.00 0.00 C ATOM 620 NZ LYS A 42 2.287 13.407 -2.675 1.00 0.00 N ATOM 0 H LYS A 42 6.986 10.734 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 42 8.672 11.919 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.138 10.238 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.873 11.059 -1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.415 13.223 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.019 12.554 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.034 11.423 -3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.440 12.039 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.162 14.359 -2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.858 13.794 -4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.802 14.300 -2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.875 12.641 -3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.170 13.188 -1.665 1.00 0.00 H new ATOM 634 N PRO A 43 9.727 10.036 -1.929 1.00 0.00 N ATOM 635 CA PRO A 43 10.535 8.973 -1.323 1.00 0.00 C ATOM 636 C PRO A 43 9.692 8.000 -0.505 1.00 0.00 C ATOM 637 O PRO A 43 10.219 7.072 0.109 1.00 0.00 O ATOM 638 CB PRO A 43 11.502 9.736 -0.415 1.00 0.00 C ATOM 639 CG PRO A 43 10.797 11.009 -0.095 1.00 0.00 C ATOM 640 CD PRO A 43 9.982 11.349 -1.312 1.00 0.00 C ATOM 0 HA PRO A 43 11.030 8.358 -2.075 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.726 9.170 0.489 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.451 9.924 -0.917 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.159 10.892 0.781 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.509 11.803 0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.054 11.855 -1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.524 12.012 -1.987 1.00 0.00 H new ATOM 648 N TYR A 44 8.382 8.219 -0.501 1.00 0.00 N ATOM 649 CA TYR A 44 7.467 7.362 0.244 1.00 0.00 C ATOM 650 C TYR A 44 6.308 6.907 -0.638 1.00 0.00 C ATOM 651 O TYR A 44 6.084 7.451 -1.720 1.00 0.00 O ATOM 652 CB TYR A 44 6.929 8.100 1.471 1.00 0.00 C ATOM 653 CG TYR A 44 6.426 9.493 1.168 1.00 0.00 C ATOM 654 CD1 TYR A 44 7.276 10.590 1.235 1.00 0.00 C ATOM 655 CD2 TYR A 44 5.100 9.712 0.814 1.00 0.00 C ATOM 656 CE1 TYR A 44 6.820 11.865 0.959 1.00 0.00 C ATOM 657 CE2 TYR A 44 4.636 10.984 0.536 1.00 0.00 C ATOM 658 CZ TYR A 44 5.500 12.056 0.610 1.00 0.00 C ATOM 659 OH TYR A 44 5.042 13.324 0.334 1.00 0.00 O ATOM 0 H TYR A 44 7.930 8.982 -1.005 1.00 0.00 H new ATOM 0 HA TYR A 44 8.019 6.481 0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.118 7.517 1.908 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.717 8.163 2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 44 8.311 10.444 1.507 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.421 8.874 0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.494 12.707 1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.603 11.137 0.262 1.00 0.00 H new ATOM 0 HH TYR A 44 4.090 13.285 0.104 1.00 0.00 H new ATOM 669 N LEU A 45 5.573 5.905 -0.167 1.00 0.00 N ATOM 670 CA LEU A 45 4.435 5.375 -0.910 1.00 0.00 C ATOM 671 C LEU A 45 3.174 5.380 -0.052 1.00 0.00 C ATOM 672 O LEU A 45 3.219 5.066 1.137 1.00 0.00 O ATOM 673 CB LEU A 45 4.733 3.954 -1.392 1.00 0.00 C ATOM 674 CG LEU A 45 3.630 3.277 -2.206 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.591 3.835 -3.620 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.836 1.769 -2.231 1.00 0.00 C ATOM 0 H LEU A 45 5.745 5.443 0.726 1.00 0.00 H new ATOM 0 HA LEU A 45 4.266 6.017 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.640 3.979 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.947 3.334 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 45 2.672 3.485 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.800 3.341 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.396 4.907 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.550 3.658 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.042 1.303 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.801 1.541 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.813 1.382 -1.212 1.00 0.00 H new ATOM 688 N SER A 46 2.049 5.736 -0.665 1.00 0.00 N ATOM 689 CA SER A 46 0.775 5.782 0.043 1.00 0.00 C ATOM 690 C SER A 46 0.070 4.431 -0.019 1.00 0.00 C ATOM 691 O SER A 46 -0.178 3.896 -1.099 1.00 0.00 O ATOM 692 CB SER A 46 -0.124 6.868 -0.552 1.00 0.00 C ATOM 693 OG SER A 46 0.330 8.161 -0.191 1.00 0.00 O ATOM 0 H SER A 46 1.994 5.997 -1.650 1.00 0.00 H new ATOM 0 HA SER A 46 0.976 6.019 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.141 6.775 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.147 6.728 -0.204 1.00 0.00 H new ATOM 0 HG SER A 46 -0.260 8.837 -0.585 1.00 0.00 H new ATOM 699 N VAL A 47 -0.252 3.884 1.150 1.00 0.00 N ATOM 700 CA VAL A 47 -0.930 2.596 1.230 1.00 0.00 C ATOM 701 C VAL A 47 -2.269 2.724 1.948 1.00 0.00 C ATOM 702 O VAL A 47 -2.375 3.406 2.967 1.00 0.00 O ATOM 703 CB VAL A 47 -0.066 1.552 1.961 1.00 0.00 C ATOM 704 CG1 VAL A 47 -0.810 0.230 2.078 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.262 1.363 1.244 1.00 0.00 C ATOM 0 H VAL A 47 -0.054 4.313 2.054 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.100 2.263 0.206 1.00 0.00 H new ATOM 0 HB VAL A 47 0.139 1.917 2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.184 -0.495 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.733 0.380 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.048 -0.143 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.860 0.622 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.080 1.021 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.799 2.311 1.218 1.00 0.00 H new ATOM 715 N ILE A 48 -3.288 2.063 1.408 1.00 0.00 N ATOM 716 CA ILE A 48 -4.620 2.102 1.999 1.00 0.00 C ATOM 717 C ILE A 48 -5.165 0.695 2.219 1.00 0.00 C ATOM 718 O ILE A 48 -5.548 0.009 1.270 1.00 0.00 O ATOM 719 CB ILE A 48 -5.605 2.889 1.114 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.121 4.328 0.929 1.00 0.00 C ATOM 721 CG2 ILE A 48 -6.999 2.867 1.724 1.00 0.00 C ATOM 722 CD1 ILE A 48 -5.917 5.107 -0.095 1.00 0.00 C ATOM 0 H ILE A 48 -3.217 1.495 0.564 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.524 2.607 2.960 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.651 2.413 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.172 4.846 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.073 4.314 0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.684 3.427 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.343 1.836 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.970 3.322 2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.518 6.118 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.846 4.613 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.961 5.152 0.214 1.00 0.00 H new ATOM 734 N THR A 49 -5.198 0.269 3.478 1.00 0.00 N ATOM 735 CA THR A 49 -5.697 -1.056 3.824 1.00 0.00 C ATOM 736 C THR A 49 -7.209 -1.041 4.018 1.00 0.00 C ATOM 737 O THR A 49 -7.919 -1.900 3.497 1.00 0.00 O ATOM 738 CB THR A 49 -5.031 -1.589 5.107 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.477 -0.836 6.240 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.515 -1.509 5.003 1.00 0.00 C ATOM 0 H THR A 49 -4.885 0.823 4.275 1.00 0.00 H new ATOM 0 HA THR A 49 -5.447 -1.715 2.993 1.00 0.00 H new ATOM 0 HB THR A 49 -5.316 -2.634 5.231 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.708 -0.412 6.674 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.067 -1.891 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.176 -2.107 4.157 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.215 -0.471 4.857 1.00 0.00 H new ATOM 885 N ARG A 61 -8.534 -7.735 7.303 1.00 0.00 N ATOM 886 CA ARG A 61 -7.327 -8.266 7.926 1.00 0.00 C ATOM 887 C ARG A 61 -6.118 -8.078 7.015 1.00 0.00 C ATOM 888 O ARG A 61 -5.221 -8.921 6.976 1.00 0.00 O ATOM 889 CB ARG A 61 -7.508 -9.749 8.253 1.00 0.00 C ATOM 890 CG ARG A 61 -8.459 -10.007 9.410 1.00 0.00 C ATOM 891 CD ARG A 61 -8.370 -11.445 9.895 1.00 0.00 C ATOM 892 NE ARG A 61 -9.309 -12.318 9.195 1.00 0.00 N ATOM 893 CZ ARG A 61 -9.427 -13.618 9.442 1.00 0.00 C ATOM 894 NH1 ARG A 61 -8.671 -14.192 10.367 1.00 0.00 N ATOM 895 NH2 ARG A 61 -10.305 -14.346 8.764 1.00 0.00 N ATOM 0 HA ARG A 61 -7.152 -7.716 8.851 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.879 -10.265 7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.536 -10.181 8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.226 -9.330 10.232 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.481 -9.790 9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.355 -11.814 9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.572 -11.480 10.966 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.907 -11.907 8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.996 -13.635 10.892 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.764 -15.190 10.554 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.890 -13.908 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.395 -15.344 8.954 1.00 0.00 H new ATOM 909 N ILE A 62 -6.101 -6.969 6.284 1.00 0.00 N ATOM 910 CA ILE A 62 -5.002 -6.671 5.374 1.00 0.00 C ATOM 911 C ILE A 62 -3.843 -6.007 6.110 1.00 0.00 C ATOM 912 O ILE A 62 -2.702 -6.462 6.034 1.00 0.00 O ATOM 913 CB ILE A 62 -5.456 -5.754 4.223 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.479 -6.475 3.341 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.259 -5.307 3.397 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.092 -5.589 2.280 1.00 0.00 C ATOM 0 H ILE A 62 -6.836 -6.262 6.304 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.669 -7.623 4.960 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.929 -4.869 4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.996 -7.325 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.273 -6.875 3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.597 -4.660 2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.562 -4.760 4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.759 -6.181 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.807 -6.166 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.604 -4.753 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.308 -5.209 1.625 1.00 0.00 H new ATOM 928 N LYS A 63 -4.145 -4.928 6.825 1.00 0.00 N ATOM 929 CA LYS A 63 -3.130 -4.201 7.579 1.00 0.00 C ATOM 930 C LYS A 63 -2.282 -5.158 8.412 1.00 0.00 C ATOM 931 O LYS A 63 -1.053 -5.084 8.427 1.00 0.00 O ATOM 932 CB LYS A 63 -3.788 -3.162 8.489 1.00 0.00 C ATOM 933 CG LYS A 63 -2.959 -1.903 8.674 1.00 0.00 C ATOM 934 CD LYS A 63 -3.421 -1.103 9.880 1.00 0.00 C ATOM 935 CE LYS A 63 -3.028 -1.782 11.183 1.00 0.00 C ATOM 936 NZ LYS A 63 -3.490 -1.012 12.371 1.00 0.00 N ATOM 0 H LYS A 63 -5.085 -4.538 6.898 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.480 -3.692 6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.758 -2.890 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.974 -3.611 9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.910 -2.172 8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.029 -1.286 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.986 -0.104 9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.504 -0.981 9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.453 -2.785 11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.944 -1.894 11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.203 -1.508 13.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.064 -0.063 12.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.526 -0.927 12.348 1.00 0.00 H new ATOM 950 N PRO A 64 -2.951 -6.079 9.121 1.00 0.00 N ATOM 951 CA PRO A 64 -2.279 -7.068 9.968 1.00 0.00 C ATOM 952 C PRO A 64 -1.126 -7.759 9.248 1.00 0.00 C ATOM 953 O PRO A 64 0.014 -7.730 9.711 1.00 0.00 O ATOM 954 CB PRO A 64 -3.388 -8.073 10.289 1.00 0.00 C ATOM 955 CG PRO A 64 -4.651 -7.292 10.176 1.00 0.00 C ATOM 956 CD PRO A 64 -4.416 -6.225 9.151 1.00 0.00 C ATOM 0 HA PRO A 64 -1.831 -6.612 10.850 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.377 -8.911 9.592 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.268 -8.489 11.289 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.478 -7.937 9.879 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.919 -6.852 11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.809 -6.514 8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.905 -5.291 9.427 1.00 0.00 H new ATOM 964 N ALA A 65 -1.430 -8.380 8.113 1.00 0.00 N ATOM 965 CA ALA A 65 -0.418 -9.076 7.328 1.00 0.00 C ATOM 966 C ALA A 65 0.702 -8.129 6.913 1.00 0.00 C ATOM 967 O ALA A 65 1.880 -8.407 7.140 1.00 0.00 O ATOM 968 CB ALA A 65 -1.051 -9.718 6.102 1.00 0.00 C ATOM 0 H ALA A 65 -2.369 -8.415 7.717 1.00 0.00 H new ATOM 0 HA ALA A 65 0.016 -9.858 7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.284 -10.234 5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.811 -10.433 6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.512 -8.947 5.485 1.00 0.00 H new ATOM 974 N VAL A 66 0.328 -7.009 6.303 1.00 0.00 N ATOM 975 CA VAL A 66 1.302 -6.020 5.856 1.00 0.00 C ATOM 976 C VAL A 66 2.319 -5.716 6.951 1.00 0.00 C ATOM 977 O VAL A 66 3.527 -5.815 6.735 1.00 0.00 O ATOM 978 CB VAL A 66 0.616 -4.708 5.431 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.651 -3.673 5.016 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.373 -4.966 4.304 1.00 0.00 C ATOM 0 H VAL A 66 -0.642 -6.764 6.107 1.00 0.00 H new ATOM 0 HA VAL A 66 1.815 -6.449 4.995 1.00 0.00 H new ATOM 0 HB VAL A 66 0.065 -4.313 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.147 -2.753 4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.317 -3.468 5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.232 -4.056 4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.849 -4.029 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.154 -5.384 3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.134 -5.670 4.641 1.00 0.00 H new ATOM 990 N ILE A 67 1.822 -5.347 8.127 1.00 0.00 N ATOM 991 CA ILE A 67 2.687 -5.030 9.256 1.00 0.00 C ATOM 992 C ILE A 67 3.731 -6.121 9.471 1.00 0.00 C ATOM 993 O ILE A 67 4.911 -5.835 9.672 1.00 0.00 O ATOM 994 CB ILE A 67 1.876 -4.848 10.553 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.926 -3.656 10.423 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.809 -4.663 11.740 1.00 0.00 C ATOM 997 CD1 ILE A 67 -0.079 -3.558 11.550 1.00 0.00 C ATOM 0 H ILE A 67 0.825 -5.260 8.322 1.00 0.00 H new ATOM 0 HA ILE A 67 3.188 -4.092 9.016 1.00 0.00 H new ATOM 0 HB ILE A 67 1.281 -5.746 10.721 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.512 -2.737 10.388 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.392 -3.729 9.476 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.221 -4.536 12.649 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.448 -5.541 11.841 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.428 -3.780 11.582 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.719 -2.690 11.392 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.690 -4.460 11.572 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.447 -3.453 12.499 1.00 0.00 H new ATOM 1009 N LYS A 68 3.288 -7.373 9.427 1.00 0.00 N ATOM 1010 CA LYS A 68 4.184 -8.508 9.613 1.00 0.00 C ATOM 1011 C LYS A 68 5.255 -8.541 8.528 1.00 0.00 C ATOM 1012 O LYS A 68 6.419 -8.834 8.800 1.00 0.00 O ATOM 1013 CB LYS A 68 3.390 -9.817 9.601 1.00 0.00 C ATOM 1014 CG LYS A 68 4.011 -10.912 10.451 1.00 0.00 C ATOM 1015 CD LYS A 68 2.965 -11.900 10.939 1.00 0.00 C ATOM 1016 CE LYS A 68 3.585 -12.989 11.801 1.00 0.00 C ATOM 1017 NZ LYS A 68 3.821 -12.524 13.196 1.00 0.00 N ATOM 0 H LYS A 68 2.314 -7.627 9.264 1.00 0.00 H new ATOM 0 HA LYS A 68 4.676 -8.396 10.579 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.378 -9.622 9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.304 -10.171 8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.768 -11.439 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.519 -10.466 11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.203 -11.371 11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.464 -12.353 10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.929 -13.859 11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.529 -13.308 11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.244 -13.294 13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.467 -11.709 13.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.917 -12.243 13.626 1.00 0.00 H new ATOM 1031 N TYR A 69 4.854 -8.237 7.298 1.00 0.00 N ATOM 1032 CA TYR A 69 5.779 -8.233 6.172 1.00 0.00 C ATOM 1033 C TYR A 69 6.788 -7.095 6.300 1.00 0.00 C ATOM 1034 O TYR A 69 7.989 -7.290 6.111 1.00 0.00 O ATOM 1035 CB TYR A 69 5.012 -8.103 4.855 1.00 0.00 C ATOM 1036 CG TYR A 69 5.904 -7.895 3.652 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.396 -6.635 3.337 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.256 -8.960 2.831 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.211 -6.440 2.238 1.00 0.00 C ATOM 1040 CE2 TYR A 69 7.072 -8.775 1.732 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.546 -7.513 1.439 1.00 0.00 C ATOM 1042 OH TYR A 69 8.359 -7.324 0.345 1.00 0.00 O ATOM 0 H TYR A 69 3.894 -7.990 7.056 1.00 0.00 H new ATOM 0 HA TYR A 69 6.322 -9.178 6.177 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.414 -9.002 4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.317 -7.267 4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.137 -5.793 3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.885 -9.949 3.056 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.583 -5.453 2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.337 -9.614 1.106 1.00 0.00 H new ATOM 0 HH TYR A 69 8.499 -8.180 -0.110 1.00 0.00 H new ATOM 1052 N LEU A 70 6.291 -5.906 6.623 1.00 0.00 N ATOM 1053 CA LEU A 70 7.147 -4.735 6.778 1.00 0.00 C ATOM 1054 C LEU A 70 8.243 -4.995 7.807 1.00 0.00 C ATOM 1055 O LEU A 70 9.431 -4.858 7.511 1.00 0.00 O ATOM 1056 CB LEU A 70 6.315 -3.522 7.197 1.00 0.00 C ATOM 1057 CG LEU A 70 5.276 -3.039 6.185 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.375 -1.984 6.807 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.958 -2.493 4.939 1.00 0.00 C ATOM 0 H LEU A 70 5.300 -5.727 6.783 1.00 0.00 H new ATOM 0 HA LEU A 70 7.618 -4.529 5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.802 -3.763 8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.994 -2.697 7.412 1.00 0.00 H new ATOM 0 HG LEU A 70 4.659 -3.889 5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.642 -1.652 6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.859 -2.408 7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.978 -1.134 7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.203 -2.154 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.600 -1.656 5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.560 -3.277 4.480 1.00 0.00 H new ATOM 1071 N ILE A 71 7.837 -5.371 9.014 1.00 0.00 N ATOM 1072 CA ILE A 71 8.784 -5.652 10.085 1.00 0.00 C ATOM 1073 C ILE A 71 9.897 -6.579 9.606 1.00 0.00 C ATOM 1074 O ILE A 71 11.077 -6.326 9.848 1.00 0.00 O ATOM 1075 CB ILE A 71 8.087 -6.292 11.300 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.002 -5.360 11.843 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.104 -6.617 12.384 1.00 0.00 C ATOM 1078 CD1 ILE A 71 5.932 -6.075 12.637 1.00 0.00 C ATOM 0 H ILE A 71 6.858 -5.488 9.275 1.00 0.00 H new ATOM 0 HA ILE A 71 9.213 -4.696 10.384 1.00 0.00 H new ATOM 0 HB ILE A 71 7.615 -7.221 10.981 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.467 -4.604 12.475 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.535 -4.835 11.010 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.596 -7.069 13.236 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.844 -7.314 11.991 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.602 -5.701 12.702 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.197 -5.352 12.990 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.440 -6.812 12.003 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.387 -6.577 13.491 1.00 0.00 H new ATOM 1090 N SER A 72 9.512 -7.652 8.922 1.00 0.00 N ATOM 1091 CA SER A 72 10.477 -8.618 8.409 1.00 0.00 C ATOM 1092 C SER A 72 11.592 -7.916 7.640 1.00 0.00 C ATOM 1093 O SER A 72 12.775 -8.146 7.892 1.00 0.00 O ATOM 1094 CB SER A 72 9.779 -9.635 7.504 1.00 0.00 C ATOM 1095 OG SER A 72 9.073 -10.597 8.267 1.00 0.00 O ATOM 0 H SER A 72 8.539 -7.874 8.710 1.00 0.00 H new ATOM 0 HA SER A 72 10.919 -9.140 9.258 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.089 -9.119 6.836 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.517 -10.135 6.876 1.00 0.00 H new ATOM 0 HG SER A 72 8.218 -10.218 8.561 1.00 0.00 H new ATOM 1101 N HIS A 73 11.206 -7.058 6.702 1.00 0.00 N ATOM 1102 CA HIS A 73 12.172 -6.321 5.895 1.00 0.00 C ATOM 1103 C HIS A 73 12.612 -5.044 6.606 1.00 0.00 C ATOM 1104 O HIS A 73 13.418 -4.276 6.081 1.00 0.00 O ATOM 1105 CB HIS A 73 11.574 -5.979 4.530 1.00 0.00 C ATOM 1106 CG HIS A 73 11.659 -7.100 3.541 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.620 -7.444 2.702 1.00 0.00 N ATOM 1108 CD2 HIS A 73 12.668 -7.957 3.258 1.00 0.00 C ATOM 1109 CE1 HIS A 73 10.985 -8.464 1.947 1.00 0.00 C ATOM 1110 NE2 HIS A 73 12.224 -8.794 2.264 1.00 0.00 N ATOM 0 H HIS A 73 10.231 -6.856 6.482 1.00 0.00 H new ATOM 0 HA HIS A 73 13.047 -6.955 5.751 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.529 -5.699 4.660 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.089 -5.108 4.125 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.711 -6.982 2.670 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.641 -7.978 3.727 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.374 -8.946 1.198 1.00 0.00 H new ATOM 1118 N SER A 74 12.076 -4.824 7.802 1.00 0.00 N ATOM 1119 CA SER A 74 12.409 -3.639 8.583 1.00 0.00 C ATOM 1120 C SER A 74 12.003 -2.369 7.842 1.00 0.00 C ATOM 1121 O SER A 74 12.780 -1.418 7.742 1.00 0.00 O ATOM 1122 CB SER A 74 13.908 -3.608 8.887 1.00 0.00 C ATOM 1123 OG SER A 74 14.288 -4.710 9.693 1.00 0.00 O ATOM 0 H SER A 74 11.409 -5.451 8.251 1.00 0.00 H new ATOM 0 HA SER A 74 11.856 -3.685 9.521 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.472 -3.624 7.954 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.160 -2.677 9.396 1.00 0.00 H new ATOM 0 HG SER A 74 15.251 -4.668 9.872 1.00 0.00 H new ATOM 1129 N PHE A 75 10.780 -2.360 7.322 1.00 0.00 N ATOM 1130 CA PHE A 75 10.269 -1.207 6.589 1.00 0.00 C ATOM 1131 C PHE A 75 9.718 -0.154 7.546 1.00 0.00 C ATOM 1132 O PHE A 75 8.969 -0.472 8.470 1.00 0.00 O ATOM 1133 CB PHE A 75 9.178 -1.643 5.609 1.00 0.00 C ATOM 1134 CG PHE A 75 9.705 -2.016 4.252 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.416 -1.099 3.495 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.489 -3.283 3.735 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.901 -1.440 2.246 1.00 0.00 C ATOM 1138 CE2 PHE A 75 9.972 -3.630 2.487 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.680 -2.707 1.742 1.00 0.00 C ATOM 0 H PHE A 75 10.124 -3.138 7.395 1.00 0.00 H new ATOM 0 HA PHE A 75 11.095 -0.767 6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.643 -2.495 6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.455 -0.835 5.500 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.593 -0.107 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.937 -4.008 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.452 -0.716 1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.796 -4.621 2.095 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.060 -2.975 0.767 1.00 0.00 H new ATOM 1149 N ARG A 76 10.094 1.099 7.317 1.00 0.00 N ATOM 1150 CA ARG A 76 9.639 2.199 8.159 1.00 0.00 C ATOM 1151 C ARG A 76 8.241 2.654 7.751 1.00 0.00 C ATOM 1152 O ARG A 76 7.964 2.863 6.570 1.00 0.00 O ATOM 1153 CB ARG A 76 10.615 3.374 8.070 1.00 0.00 C ATOM 1154 CG ARG A 76 10.603 4.270 9.298 1.00 0.00 C ATOM 1155 CD ARG A 76 11.150 5.654 8.984 1.00 0.00 C ATOM 1156 NE ARG A 76 11.115 6.533 10.149 1.00 0.00 N ATOM 1157 CZ ARG A 76 11.129 7.859 10.070 1.00 0.00 C ATOM 1158 NH1 ARG A 76 11.177 8.455 8.887 1.00 0.00 N ATOM 1159 NH2 ARG A 76 11.096 8.592 11.176 1.00 0.00 N ATOM 0 H ARG A 76 10.713 1.378 6.556 1.00 0.00 H new ATOM 0 HA ARG A 76 9.601 1.844 9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.623 2.987 7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.371 3.972 7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.584 4.357 9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.198 3.813 10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.176 5.566 8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.569 6.099 8.176 1.00 0.00 H new ATOM 0 HE ARG A 76 11.078 6.106 11.074 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.203 7.895 8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.188 9.473 8.829 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.060 8.137 12.088 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.107 9.610 11.114 1.00 0.00 H new ATOM 1173 N PHE A 77 7.363 2.804 8.737 1.00 0.00 N ATOM 1174 CA PHE A 77 5.992 3.232 8.482 1.00 0.00 C ATOM 1175 C PHE A 77 5.400 3.920 9.708 1.00 0.00 C ATOM 1176 O PHE A 77 5.831 3.681 10.836 1.00 0.00 O ATOM 1177 CB PHE A 77 5.126 2.034 8.087 1.00 0.00 C ATOM 1178 CG PHE A 77 4.974 1.017 9.182 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.047 0.230 9.569 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.758 0.849 9.824 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.910 -0.706 10.576 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.615 -0.085 10.833 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.692 -0.865 11.209 1.00 0.00 C ATOM 0 H PHE A 77 7.576 2.636 9.720 1.00 0.00 H new ATOM 0 HA PHE A 77 6.008 3.946 7.659 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.139 2.391 7.794 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.564 1.552 7.213 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.001 0.350 9.078 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.912 1.454 9.533 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.754 -1.313 10.868 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.662 -0.205 11.327 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.582 -1.597 11.996 1.00 0.00 H new ATOM 1193 N SER A 78 4.409 4.775 9.478 1.00 0.00 N ATOM 1194 CA SER A 78 3.759 5.502 10.563 1.00 0.00 C ATOM 1195 C SER A 78 2.301 5.796 10.223 1.00 0.00 C ATOM 1196 O SER A 78 1.988 6.236 9.117 1.00 0.00 O ATOM 1197 CB SER A 78 4.502 6.809 10.846 1.00 0.00 C ATOM 1198 OG SER A 78 4.379 7.180 12.209 1.00 0.00 O ATOM 0 H SER A 78 4.038 4.982 8.550 1.00 0.00 H new ATOM 0 HA SER A 78 3.787 4.876 11.455 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.555 6.695 10.590 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.104 7.602 10.213 1.00 0.00 H new ATOM 0 HG SER A 78 4.864 8.017 12.365 1.00 0.00 H new ATOM 1204 N GLU A 79 1.415 5.550 11.183 1.00 0.00 N ATOM 1205 CA GLU A 79 -0.010 5.787 10.985 1.00 0.00 C ATOM 1206 C GLU A 79 -0.328 7.278 11.051 1.00 0.00 C ATOM 1207 O GLU A 79 -0.363 7.869 12.131 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.826 5.034 12.037 1.00 0.00 C ATOM 1209 CG GLU A 79 -2.318 5.012 11.749 1.00 0.00 C ATOM 1210 CD GLU A 79 -3.139 4.593 12.954 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -2.590 3.896 13.832 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -4.330 4.963 13.017 1.00 0.00 O ATOM 0 H GLU A 79 1.659 5.187 12.105 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.279 5.419 9.995 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.462 4.009 12.102 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.659 5.493 13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.636 6.003 11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.515 4.327 10.924 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.557 7.880 9.889 1.00 0.00 N ATOM 1220 CA ILE A 80 -0.872 9.302 9.815 1.00 0.00 C ATOM 1221 C ILE A 80 -2.373 9.525 9.662 1.00 0.00 C ATOM 1222 O ILE A 80 -2.900 10.565 10.057 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.142 9.980 8.640 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.476 9.271 7.326 1.00 0.00 C ATOM 1225 CG2 ILE A 80 1.361 9.980 8.881 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.206 10.114 6.100 1.00 0.00 C ATOM 0 H ILE A 80 -0.530 7.406 8.986 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.533 9.749 10.750 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.480 11.014 8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.106 8.352 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.527 8.983 7.335 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.864 10.462 8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.582 10.525 9.799 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.715 8.953 8.974 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.465 9.548 5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.808 11.022 6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.850 10.381 6.067 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.057 8.541 9.088 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.498 8.627 8.886 1.00 0.00 C ATOM 1240 C LYS A 81 -5.173 7.298 9.209 1.00 0.00 C ATOM 1241 O LYS A 81 -4.574 6.228 9.101 1.00 0.00 O ATOM 1242 CB LYS A 81 -4.808 9.031 7.443 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.023 10.242 6.968 1.00 0.00 C ATOM 1244 CD LYS A 81 -4.768 11.536 7.253 1.00 0.00 C ATOM 1245 CE LYS A 81 -5.954 11.714 6.318 1.00 0.00 C ATOM 1246 NZ LYS A 81 -6.682 12.986 6.581 1.00 0.00 N ATOM 0 H LYS A 81 -2.636 7.674 8.754 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.890 9.387 9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.594 8.189 6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.874 9.242 7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.052 10.264 7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.834 10.158 5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.115 11.537 8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.087 12.380 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.607 11.701 5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.638 10.873 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.483 13.070 5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.035 12.988 7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.037 13.790 6.445 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.450 7.365 9.614 1.00 0.00 N ATOM 1261 CA PRO A 82 -7.234 6.176 9.959 1.00 0.00 C ATOM 1262 C PRO A 82 -7.564 5.324 8.737 1.00 0.00 C ATOM 1263 O PRO A 82 -8.650 5.429 8.170 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.513 6.758 10.565 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.634 8.116 9.964 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.227 8.607 9.766 1.00 0.00 C ATOM 0 HA PRO A 82 -6.691 5.511 10.631 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.380 6.141 10.327 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.448 6.811 11.652 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.171 8.077 9.016 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.192 8.785 10.619 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.144 9.243 8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.883 9.195 10.617 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.618 4.480 8.337 1.00 0.00 N ATOM 1275 CA GLY A 83 -6.828 3.622 7.185 1.00 0.00 C ATOM 1276 C GLY A 83 -5.781 3.831 6.109 1.00 0.00 C ATOM 1277 O GLY A 83 -5.973 3.428 4.961 1.00 0.00 O ATOM 0 H GLY A 83 -5.710 4.375 8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.814 2.580 7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.817 3.814 6.768 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.672 4.462 6.479 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.592 4.726 5.535 1.00 0.00 C ATOM 1283 C CYS A 84 -2.233 4.476 6.181 1.00 0.00 C ATOM 1284 O CYS A 84 -1.959 4.956 7.282 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.671 6.166 5.027 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.032 6.394 3.351 1.00 0.00 S ATOM 0 H CYS A 84 -4.497 4.800 7.425 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.705 4.045 4.692 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.710 6.493 5.056 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.115 6.811 5.707 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.645 5.248 2.875 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.386 3.721 5.491 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.055 3.405 5.997 1.00 0.00 C ATOM 1294 C LEU A 85 1.025 3.993 5.095 1.00 0.00 C ATOM 1295 O LEU A 85 1.215 3.547 3.963 1.00 0.00 O ATOM 1296 CB LEU A 85 0.125 1.890 6.105 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.408 1.240 7.383 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.282 -0.273 7.305 1.00 0.00 C ATOM 1299 CD2 LEU A 85 0.330 1.776 8.601 1.00 0.00 C ATOM 0 H LEU A 85 -1.597 3.316 4.579 1.00 0.00 H new ATOM 0 HA LEU A 85 0.044 3.848 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.368 1.424 5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.188 1.664 6.022 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.464 1.491 7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.666 -0.718 8.223 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.856 -0.643 6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.766 -0.545 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.062 1.303 9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.393 1.555 8.509 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.188 2.855 8.667 1.00 0.00 H new ATOM 1311 N LYS A 86 1.732 4.996 5.604 1.00 0.00 N ATOM 1312 CA LYS A 86 2.796 5.645 4.846 1.00 0.00 C ATOM 1313 C LYS A 86 4.116 4.898 5.014 1.00 0.00 C ATOM 1314 O LYS A 86 4.691 4.870 6.102 1.00 0.00 O ATOM 1315 CB LYS A 86 2.959 7.098 5.298 1.00 0.00 C ATOM 1316 CG LYS A 86 3.883 7.911 4.408 1.00 0.00 C ATOM 1317 CD LYS A 86 4.045 9.332 4.923 1.00 0.00 C ATOM 1318 CE LYS A 86 5.195 10.048 4.230 1.00 0.00 C ATOM 1319 NZ LYS A 86 6.519 9.541 4.687 1.00 0.00 N ATOM 0 H LYS A 86 1.588 5.378 6.539 1.00 0.00 H new ATOM 0 HA LYS A 86 2.520 5.628 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.979 7.575 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.345 7.112 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.859 7.428 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.485 7.934 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.120 9.886 4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.222 9.313 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.108 9.916 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.128 11.118 4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.229 10.295 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.453 9.244 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.801 8.729 4.101 1.00 0.00 H new ATOM 1333 N VAL A 87 4.591 4.294 3.929 1.00 0.00 N ATOM 1334 CA VAL A 87 5.844 3.550 3.955 1.00 0.00 C ATOM 1335 C VAL A 87 6.927 4.269 3.159 1.00 0.00 C ATOM 1336 O VAL A 87 6.708 4.673 2.018 1.00 0.00 O ATOM 1337 CB VAL A 87 5.664 2.129 3.389 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.980 1.366 3.433 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.581 1.384 4.154 1.00 0.00 C ATOM 0 H VAL A 87 4.126 4.306 3.021 1.00 0.00 H new ATOM 0 HA VAL A 87 6.150 3.482 4.999 1.00 0.00 H new ATOM 0 HB VAL A 87 5.352 2.208 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.833 0.364 3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.726 1.892 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.325 1.294 4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.467 0.382 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.861 1.313 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.637 1.922 4.065 1.00 0.00 H new ATOM 1349 N MET A 88 8.098 4.424 3.769 1.00 0.00 N ATOM 1350 CA MET A 88 9.217 5.093 3.116 1.00 0.00 C ATOM 1351 C MET A 88 9.936 4.144 2.163 1.00 0.00 C ATOM 1352 O MET A 88 10.366 3.059 2.557 1.00 0.00 O ATOM 1353 CB MET A 88 10.199 5.627 4.161 1.00 0.00 C ATOM 1354 CG MET A 88 9.556 6.545 5.187 1.00 0.00 C ATOM 1355 SD MET A 88 9.485 8.261 4.636 1.00 0.00 S ATOM 1356 CE MET A 88 11.216 8.713 4.712 1.00 0.00 C ATOM 0 H MET A 88 8.296 4.095 4.714 1.00 0.00 H new ATOM 0 HA MET A 88 8.822 5.929 2.538 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.660 4.785 4.678 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.999 6.167 3.654 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.546 6.194 5.401 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.117 6.490 6.120 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.306 9.795 4.806 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.679 8.234 5.575 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.718 8.385 3.802 1.00 0.00 H new ATOM 1366 N LEU A 89 10.064 4.559 0.907 1.00 0.00 N ATOM 1367 CA LEU A 89 10.731 3.746 -0.103 1.00 0.00 C ATOM 1368 C LEU A 89 12.247 3.826 0.048 1.00 0.00 C ATOM 1369 O LEU A 89 12.809 4.908 0.217 1.00 0.00 O ATOM 1370 CB LEU A 89 10.322 4.202 -1.505 1.00 0.00 C ATOM 1371 CG LEU A 89 8.875 3.915 -1.908 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.543 4.600 -3.225 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.637 2.416 -2.009 1.00 0.00 C ATOM 0 H LEU A 89 9.714 5.454 0.564 1.00 0.00 H new ATOM 0 HA LEU A 89 10.424 2.710 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.493 5.276 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.982 3.723 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 89 8.216 4.315 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.509 4.385 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.674 5.677 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.208 4.230 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.602 2.230 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.304 1.991 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.834 1.950 -1.043 1.00 0.00 H new