USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 472 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 134 GLN : amide:sc= -6.19! C(o=-6.2!,f=-7.7!) USER MOD Set 1.2: A 183 GLN :FLIP amide:sc= 0 F(o=-7.4!,f=-6.2) USER MOD Set 2.1: A 142 LYS NZ :NH3+ -109:sc= -0.952 (180deg=-5.4!) USER MOD Set 2.2: A 174 LYS NZ :NH3+ -170:sc= -0.779 (180deg=-0.271) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 147 ASN :FLIP amide:sc= -0.389 F(o=-2.4!,f=-0.39) USER MOD Single : A 148 MET CE :methyl 146:sc= -1.61 (180deg=-2.19!) USER MOD Single : A 150 GLN : amide:sc= -0.0804 X(o=-0.08,f=-0.08) USER MOD Single : A 151 THR OG1 : rot 77:sc= 0.656 USER MOD Single : A 152 TYR OH : rot 30:sc= 0 USER MOD Single : A 161 LYS NZ :NH3+ -167:sc= -0.0089 (180deg=-0.226) USER MOD Single : A 165 THR OG1 : rot 70:sc= 0.00165 USER MOD Single : A 167 GLN : amide:sc= -0.835 K(o=-0.84,f=-4.9!) USER MOD Single : A 168 GLN : amide:sc= -0.0972 X(o=-0.097,f=-0.097) USER MOD Single : A 169 MET CE :methyl 154:sc= -0.3 (180deg=-1.09) USER MOD Single : A 171 GLN :FLIP amide:sc= -0.532 F(o=-3!,f=-0.53) USER MOD Single : A 173 SER OG : rot 68:sc= 1.22 USER MOD Single : A 175 THR OG1 : rot 70:sc= 0.12 USER MOD Single : A 176 LYS NZ :NH3+ 169:sc= -0.033 (180deg=-0.216) USER MOD Single : A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 14.983 6.416 -0.660 1.00 0.00 N ATOM 112 CA ARG A 127 14.304 5.160 -0.963 1.00 0.00 C ATOM 113 C ARG A 127 13.446 4.706 0.214 1.00 0.00 C ATOM 114 O ARG A 127 12.303 4.286 0.036 1.00 0.00 O ATOM 115 CB ARG A 127 15.321 4.072 -1.316 1.00 0.00 C ATOM 116 CG ARG A 127 14.685 2.721 -1.605 1.00 0.00 C ATOM 117 CD ARG A 127 15.729 1.671 -1.947 1.00 0.00 C ATOM 118 NE ARG A 127 16.485 2.018 -3.147 1.00 0.00 N ATOM 119 CZ ARG A 127 17.451 1.259 -3.655 1.00 0.00 C ATOM 120 NH1 ARG A 127 17.778 0.116 -3.066 1.00 0.00 N ATOM 121 NH2 ARG A 127 18.090 1.642 -4.752 1.00 0.00 N ATOM 0 HA ARG A 127 13.654 5.330 -1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.894 4.389 -2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 127 16.027 3.964 -0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 127 14.112 2.395 -0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.982 2.819 -2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 127 16.415 1.556 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 127 15.240 0.708 -2.093 1.00 0.00 H new ATOM 0 HE ARG A 127 16.259 2.892 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 127 17.288 -0.181 -2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 127 18.519 -0.465 -3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 127 17.841 2.520 -5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 127 18.831 1.059 -5.141 1.00 0.00 H new ATOM 135 N VAL A 128 14.009 4.789 1.415 1.00 0.00 N ATOM 136 CA VAL A 128 13.299 4.385 2.623 1.00 0.00 C ATOM 137 C VAL A 128 12.022 5.199 2.808 1.00 0.00 C ATOM 138 O VAL A 128 10.967 4.653 3.134 1.00 0.00 O ATOM 139 CB VAL A 128 14.187 4.545 3.872 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.456 4.066 5.117 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.499 3.794 3.694 1.00 0.00 C ATOM 0 H VAL A 128 14.955 5.133 1.578 1.00 0.00 H new ATOM 0 HA VAL A 128 13.039 3.333 2.504 1.00 0.00 H new ATOM 0 HB VAL A 128 14.413 5.604 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 128 14.101 4.188 5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.547 4.653 5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 128 13.195 3.014 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 128 16.113 3.918 4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.294 2.735 3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.031 4.191 2.829 1.00 0.00 H new ATOM 151 N ALA A 129 12.126 6.507 2.594 1.00 0.00 N ATOM 152 CA ALA A 129 10.984 7.401 2.733 1.00 0.00 C ATOM 153 C ALA A 129 9.889 7.052 1.732 1.00 0.00 C ATOM 154 O ALA A 129 8.705 7.068 2.063 1.00 0.00 O ATOM 155 CB ALA A 129 11.424 8.847 2.557 1.00 0.00 C ATOM 0 H ALA A 129 12.993 6.971 2.323 1.00 0.00 H new ATOM 0 HA ALA A 129 10.574 7.277 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.562 9.505 2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 129 12.166 9.096 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 129 11.860 8.977 1.566 1.00 0.00 H new ATOM 161 N GLY A 130 10.296 6.739 0.505 1.00 0.00 N ATOM 162 CA GLY A 130 9.341 6.390 -0.532 1.00 0.00 C ATOM 163 C GLY A 130 8.530 5.154 -0.193 1.00 0.00 C ATOM 164 O GLY A 130 7.332 5.095 -0.469 1.00 0.00 O ATOM 0 H GLY A 130 11.272 6.721 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.665 7.229 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.873 6.224 -1.469 1.00 0.00 H new ATOM 168 N LEU A 131 9.186 4.161 0.397 1.00 0.00 N ATOM 169 CA LEU A 131 8.518 2.915 0.767 1.00 0.00 C ATOM 170 C LEU A 131 7.562 3.128 1.938 1.00 0.00 C ATOM 171 O LEU A 131 6.477 2.551 1.976 1.00 0.00 O ATOM 172 CB LEU A 131 9.553 1.845 1.119 1.00 0.00 C ATOM 173 CG LEU A 131 10.561 1.524 0.011 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.584 0.509 0.498 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.848 1.007 -1.230 1.00 0.00 C ATOM 0 H LEU A 131 10.179 4.193 0.630 1.00 0.00 H new ATOM 0 HA LEU A 131 7.934 2.578 -0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.101 2.169 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 131 9.028 0.928 1.387 1.00 0.00 H new ATOM 0 HG LEU A 131 11.084 2.443 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.292 0.293 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 131 12.119 0.915 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 131 11.075 -0.410 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.582 0.785 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.297 0.100 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.154 1.765 -1.593 1.00 0.00 H new ATOM 187 N GLU A 132 7.969 3.955 2.894 1.00 0.00 N ATOM 188 CA GLU A 132 7.133 4.232 4.057 1.00 0.00 C ATOM 189 C GLU A 132 5.885 5.006 3.646 1.00 0.00 C ATOM 190 O GLU A 132 4.766 4.656 4.031 1.00 0.00 O ATOM 191 CB GLU A 132 7.917 5.024 5.106 1.00 0.00 C ATOM 192 CG GLU A 132 9.135 4.290 5.641 1.00 0.00 C ATOM 193 CD GLU A 132 9.870 5.081 6.705 1.00 0.00 C ATOM 194 OE1 GLU A 132 9.257 5.384 7.751 1.00 0.00 O ATOM 195 OE2 GLU A 132 11.059 5.399 6.494 1.00 0.00 O ATOM 0 H GLU A 132 8.865 4.442 2.888 1.00 0.00 H new ATOM 0 HA GLU A 132 6.829 3.280 4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.237 5.970 4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.254 5.264 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 132 8.824 3.331 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.816 4.075 4.818 1.00 0.00 H new ATOM 202 N LYS A 133 6.084 6.061 2.861 1.00 0.00 N ATOM 203 CA LYS A 133 4.977 6.886 2.397 1.00 0.00 C ATOM 204 C LYS A 133 4.028 6.087 1.511 1.00 0.00 C ATOM 205 O LYS A 133 2.809 6.221 1.619 1.00 0.00 O ATOM 206 CB LYS A 133 5.497 8.105 1.629 1.00 0.00 C ATOM 207 CG LYS A 133 6.241 7.751 0.351 1.00 0.00 C ATOM 208 CD LYS A 133 6.649 8.995 -0.425 1.00 0.00 C ATOM 209 CE LYS A 133 5.440 9.806 -0.866 1.00 0.00 C ATOM 210 NZ LYS A 133 5.835 11.023 -1.626 1.00 0.00 N ATOM 0 H LYS A 133 7.002 6.363 2.534 1.00 0.00 H new ATOM 0 HA LYS A 133 4.428 7.225 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.656 8.753 1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.160 8.677 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.128 7.168 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.609 7.122 -0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.296 9.615 0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.230 8.704 -1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 133 4.793 9.185 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 133 4.859 10.097 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 4.983 11.548 -1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.432 11.628 -1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 6.367 10.745 -2.475 1.00 0.00 H new ATOM 224 N GLN A 134 4.589 5.260 0.629 1.00 0.00 N ATOM 225 CA GLN A 134 3.775 4.454 -0.272 1.00 0.00 C ATOM 226 C GLN A 134 2.875 3.529 0.522 1.00 0.00 C ATOM 227 O GLN A 134 1.691 3.387 0.220 1.00 0.00 O ATOM 228 CB GLN A 134 4.655 3.666 -1.243 1.00 0.00 C ATOM 229 CG GLN A 134 5.270 2.397 -0.684 1.00 0.00 C ATOM 230 CD GLN A 134 6.137 1.686 -1.709 1.00 0.00 C ATOM 231 OE1 GLN A 134 6.723 0.642 -1.426 1.00 0.00 O ATOM 232 NE2 GLN A 134 6.229 2.253 -2.911 1.00 0.00 N ATOM 0 H GLN A 134 5.595 5.133 0.522 1.00 0.00 H new ATOM 0 HA GLN A 134 3.146 5.121 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 134 4.058 3.405 -2.117 1.00 0.00 H new ATOM 0 HB3 GLN A 134 5.458 4.317 -1.588 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.871 2.641 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 134 4.478 1.726 -0.351 1.00 0.00 H new ATOM 0 HE21 GLN A 134 5.727 3.119 -3.106 1.00 0.00 H new ATOM 0 HE22 GLN A 134 6.801 1.821 -3.636 1.00 0.00 H new ATOM 241 N LEU A 135 3.441 2.924 1.552 1.00 0.00 N ATOM 242 CA LEU A 135 2.682 2.032 2.417 1.00 0.00 C ATOM 243 C LEU A 135 1.454 2.773 2.932 1.00 0.00 C ATOM 244 O LEU A 135 0.346 2.233 2.968 1.00 0.00 O ATOM 245 CB LEU A 135 3.561 1.546 3.581 1.00 0.00 C ATOM 246 CG LEU A 135 2.982 0.411 4.441 1.00 0.00 C ATOM 247 CD1 LEU A 135 1.807 0.896 5.278 1.00 0.00 C ATOM 248 CD2 LEU A 135 2.566 -0.764 3.567 1.00 0.00 C ATOM 0 H LEU A 135 4.422 3.033 1.811 1.00 0.00 H new ATOM 0 HA LEU A 135 2.360 1.155 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.516 1.214 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 135 3.770 2.396 4.231 1.00 0.00 H new ATOM 0 HG LEU A 135 3.764 0.078 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.420 0.070 5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.137 1.698 5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.021 1.268 4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 135 2.159 -1.557 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 135 1.807 -0.438 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 135 3.434 -1.139 3.025 1.00 0.00 H new ATOM 260 N ALA A 136 1.665 4.031 3.304 1.00 0.00 N ATOM 261 CA ALA A 136 0.588 4.880 3.796 1.00 0.00 C ATOM 262 C ALA A 136 -0.445 5.134 2.700 1.00 0.00 C ATOM 263 O ALA A 136 -1.645 5.192 2.969 1.00 0.00 O ATOM 264 CB ALA A 136 1.145 6.197 4.317 1.00 0.00 C ATOM 0 H ALA A 136 2.577 4.486 3.273 1.00 0.00 H new ATOM 0 HA ALA A 136 0.094 4.362 4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.327 6.819 4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 136 1.842 6.000 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.665 6.716 3.512 1.00 0.00 H new ATOM 270 N ILE A 137 0.033 5.282 1.463 1.00 0.00 N ATOM 271 CA ILE A 137 -0.847 5.525 0.322 1.00 0.00 C ATOM 272 C ILE A 137 -1.939 4.463 0.247 1.00 0.00 C ATOM 273 O ILE A 137 -3.123 4.777 0.120 1.00 0.00 O ATOM 274 CB ILE A 137 -0.064 5.519 -1.011 1.00 0.00 C ATOM 275 CG1 ILE A 137 1.060 6.559 -0.986 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.005 5.778 -2.180 1.00 0.00 C ATOM 277 CD1 ILE A 137 1.938 6.536 -2.223 1.00 0.00 C ATOM 0 H ILE A 137 1.024 5.238 1.227 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.293 6.509 0.470 1.00 0.00 H new ATOM 0 HB ILE A 137 0.387 4.535 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 137 0.623 7.552 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 137 1.681 6.389 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -0.439 5.771 -3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -1.767 5.000 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -1.483 6.749 -2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 137 2.711 7.299 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 137 2.405 5.556 -2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 137 1.330 6.737 -3.105 1.00 0.00 H new ATOM 289 N GLU A 138 -1.525 3.204 0.330 1.00 0.00 N ATOM 290 CA GLU A 138 -2.453 2.081 0.277 1.00 0.00 C ATOM 291 C GLU A 138 -3.444 2.120 1.432 1.00 0.00 C ATOM 292 O GLU A 138 -4.642 1.929 1.232 1.00 0.00 O ATOM 293 CB GLU A 138 -1.678 0.767 0.299 1.00 0.00 C ATOM 294 CG GLU A 138 -1.284 0.268 -1.080 1.00 0.00 C ATOM 295 CD GLU A 138 -0.677 1.352 -1.949 1.00 0.00 C ATOM 296 OE1 GLU A 138 0.350 1.933 -1.543 1.00 0.00 O ATOM 297 OE2 GLU A 138 -1.230 1.620 -3.036 1.00 0.00 O ATOM 0 H GLU A 138 -0.547 2.935 0.435 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.019 2.156 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -0.778 0.896 0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.284 0.006 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -0.570 -0.549 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -2.164 -0.140 -1.578 1.00 0.00 H new ATOM 304 N LEU A 139 -2.944 2.362 2.637 1.00 0.00 N ATOM 305 CA LEU A 139 -3.800 2.418 3.818 1.00 0.00 C ATOM 306 C LEU A 139 -4.910 3.452 3.652 1.00 0.00 C ATOM 307 O LEU A 139 -6.040 3.233 4.085 1.00 0.00 O ATOM 308 CB LEU A 139 -2.971 2.731 5.064 1.00 0.00 C ATOM 309 CG LEU A 139 -1.963 1.650 5.454 1.00 0.00 C ATOM 310 CD1 LEU A 139 -1.178 2.071 6.686 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.671 0.324 5.699 1.00 0.00 C ATOM 0 H LEU A 139 -1.954 2.522 2.823 1.00 0.00 H new ATOM 0 HA LEU A 139 -4.265 1.440 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.435 3.666 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.649 2.895 5.902 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.263 1.519 4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.466 1.289 6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.641 2.996 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.864 2.231 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.938 -0.434 5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -3.394 0.441 6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -3.188 0.014 4.791 1.00 0.00 H new ATOM 323 N LYS A 140 -4.581 4.579 3.027 1.00 0.00 N ATOM 324 CA LYS A 140 -5.558 5.641 2.811 1.00 0.00 C ATOM 325 C LYS A 140 -6.696 5.171 1.907 1.00 0.00 C ATOM 326 O LYS A 140 -7.870 5.321 2.245 1.00 0.00 O ATOM 327 CB LYS A 140 -4.883 6.868 2.196 1.00 0.00 C ATOM 328 CG LYS A 140 -3.827 7.496 3.091 1.00 0.00 C ATOM 329 CD LYS A 140 -3.251 8.757 2.466 1.00 0.00 C ATOM 330 CE LYS A 140 -2.213 9.403 3.370 1.00 0.00 C ATOM 331 NZ LYS A 140 -1.670 10.657 2.781 1.00 0.00 N ATOM 0 H LYS A 140 -3.650 4.780 2.663 1.00 0.00 H new ATOM 0 HA LYS A 140 -5.977 5.909 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.422 6.583 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.644 7.614 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -4.264 7.735 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.026 6.779 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -2.797 8.514 1.505 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.055 9.466 2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -2.661 9.621 4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -1.398 8.701 3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -0.966 11.067 3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -1.220 10.445 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -2.444 11.336 2.636 1.00 0.00 H new ATOM 345 N VAL A 141 -6.340 4.605 0.757 1.00 0.00 N ATOM 346 CA VAL A 141 -7.335 4.119 -0.195 1.00 0.00 C ATOM 347 C VAL A 141 -8.138 2.958 0.388 1.00 0.00 C ATOM 348 O VAL A 141 -9.361 2.908 0.256 1.00 0.00 O ATOM 349 CB VAL A 141 -6.672 3.663 -1.510 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.724 3.234 -2.522 1.00 0.00 C ATOM 351 CG2 VAL A 141 -5.795 4.771 -2.076 1.00 0.00 C ATOM 0 H VAL A 141 -5.373 4.472 0.462 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.008 4.951 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.039 2.802 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.235 2.916 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.304 2.406 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.388 4.072 -2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.335 4.432 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.405 5.652 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.017 5.023 -1.356 1.00 0.00 H new ATOM 361 N LYS A 142 -7.439 2.028 1.031 1.00 0.00 N ATOM 362 CA LYS A 142 -8.073 0.862 1.638 1.00 0.00 C ATOM 363 C LYS A 142 -9.100 1.281 2.686 1.00 0.00 C ATOM 364 O LYS A 142 -10.216 0.764 2.717 1.00 0.00 O ATOM 365 CB LYS A 142 -7.011 -0.037 2.276 1.00 0.00 C ATOM 366 CG LYS A 142 -7.576 -1.271 2.962 1.00 0.00 C ATOM 367 CD LYS A 142 -6.472 -2.117 3.579 1.00 0.00 C ATOM 368 CE LYS A 142 -7.031 -3.348 4.274 1.00 0.00 C ATOM 369 NZ LYS A 142 -7.789 -4.220 3.335 1.00 0.00 N ATOM 0 H LYS A 142 -6.426 2.060 1.146 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.591 0.308 0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.307 -0.352 1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.447 0.545 3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.281 -0.968 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.133 -1.868 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.771 -2.424 2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.911 -1.517 4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.214 -3.917 4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -7.684 -3.039 5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -8.805 -4.162 3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.624 -3.904 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -7.468 -5.204 3.439 1.00 0.00 H new ATOM 383 N GLN A 143 -8.711 2.219 3.542 1.00 0.00 N ATOM 384 CA GLN A 143 -9.594 2.710 4.594 1.00 0.00 C ATOM 385 C GLN A 143 -10.839 3.360 3.999 1.00 0.00 C ATOM 386 O GLN A 143 -11.949 3.151 4.486 1.00 0.00 O ATOM 387 CB GLN A 143 -8.852 3.711 5.484 1.00 0.00 C ATOM 388 CG GLN A 143 -9.687 4.228 6.646 1.00 0.00 C ATOM 389 CD GLN A 143 -8.936 5.206 7.536 1.00 0.00 C ATOM 390 OE1 GLN A 143 -7.669 5.460 7.220 1.00 0.00 O flip ATOM 391 NE2 GLN A 143 -9.492 5.728 8.503 1.00 0.00 N flip ATOM 0 H GLN A 143 -7.789 2.655 3.528 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.907 1.860 5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.952 3.238 5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.529 4.556 4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -10.580 4.715 6.255 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -10.023 3.383 7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -10.466 5.507 8.712 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.979 6.381 9.095 1.00 0.00 H new ATOM 400 N GLY A 144 -10.646 4.145 2.943 1.00 0.00 N ATOM 401 CA GLY A 144 -11.762 4.814 2.296 1.00 0.00 C ATOM 402 C GLY A 144 -12.798 3.838 1.773 1.00 0.00 C ATOM 403 O GLY A 144 -14.002 4.069 1.899 1.00 0.00 O ATOM 0 H GLY A 144 -9.735 4.330 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -12.234 5.495 3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.389 5.421 1.471 1.00 0.00 H new ATOM 407 N ALA A 145 -12.328 2.741 1.189 1.00 0.00 N ATOM 408 CA ALA A 145 -13.216 1.723 0.649 1.00 0.00 C ATOM 409 C ALA A 145 -13.983 1.045 1.770 1.00 0.00 C ATOM 410 O ALA A 145 -15.191 0.840 1.674 1.00 0.00 O ATOM 411 CB ALA A 145 -12.423 0.701 -0.152 1.00 0.00 C ATOM 0 H ALA A 145 -11.335 2.536 1.078 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.933 2.202 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -13.100 -0.055 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.913 1.201 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.687 0.224 0.495 1.00 0.00 H new ATOM 417 N GLU A 146 -13.269 0.711 2.837 1.00 0.00 N ATOM 418 CA GLU A 146 -13.876 0.060 3.994 1.00 0.00 C ATOM 419 C GLU A 146 -14.962 0.940 4.600 1.00 0.00 C ATOM 420 O GLU A 146 -16.017 0.450 5.006 1.00 0.00 O ATOM 421 CB GLU A 146 -12.815 -0.262 5.048 1.00 0.00 C ATOM 422 CG GLU A 146 -11.762 -1.249 4.573 1.00 0.00 C ATOM 423 CD GLU A 146 -10.747 -1.579 5.650 1.00 0.00 C ATOM 424 OE1 GLU A 146 -11.155 -2.096 6.712 1.00 0.00 O ATOM 425 OE2 GLU A 146 -9.544 -1.320 5.433 1.00 0.00 O ATOM 0 H GLU A 146 -12.267 0.880 2.927 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.330 -0.872 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.323 0.663 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.306 -0.666 5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -12.250 -2.167 4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -11.246 -0.836 3.706 1.00 0.00 H new ATOM 432 N ASN A 147 -14.697 2.242 4.659 1.00 0.00 N ATOM 433 CA ASN A 147 -15.654 3.191 5.214 1.00 0.00 C ATOM 434 C ASN A 147 -16.980 3.128 4.465 1.00 0.00 C ATOM 435 O ASN A 147 -18.046 3.054 5.078 1.00 0.00 O ATOM 436 CB ASN A 147 -15.088 4.614 5.157 1.00 0.00 C ATOM 437 CG ASN A 147 -13.847 4.792 6.014 1.00 0.00 C ATOM 438 OD1 ASN A 147 -13.446 3.740 6.723 1.00 0.00 O flip ATOM 439 ND2 ASN A 147 -13.253 5.870 6.043 1.00 0.00 N flip ATOM 0 H ASN A 147 -13.828 2.663 4.329 1.00 0.00 H new ATOM 0 HA ASN A 147 -15.832 2.921 6.255 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -14.848 4.863 4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -15.854 5.317 5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -13.591 6.654 5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -12.423 5.979 6.625 1.00 0.00 H new ATOM 446 N MET A 148 -16.910 3.154 3.137 1.00 0.00 N ATOM 447 CA MET A 148 -18.115 3.098 2.315 1.00 0.00 C ATOM 448 C MET A 148 -18.796 1.736 2.423 1.00 0.00 C ATOM 449 O MET A 148 -20.017 1.656 2.526 1.00 0.00 O ATOM 450 CB MET A 148 -17.791 3.414 0.851 1.00 0.00 C ATOM 451 CG MET A 148 -17.241 4.817 0.643 1.00 0.00 C ATOM 452 SD MET A 148 -17.293 5.342 -1.083 1.00 0.00 S ATOM 453 CE MET A 148 -16.301 4.075 -1.869 1.00 0.00 C ATOM 0 H MET A 148 -16.039 3.213 2.610 1.00 0.00 H new ATOM 0 HA MET A 148 -18.805 3.854 2.690 1.00 0.00 H new ATOM 0 HB2 MET A 148 -17.065 2.689 0.483 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.694 3.293 0.253 1.00 0.00 H new ATOM 0 HG2 MET A 148 -17.813 5.520 1.249 1.00 0.00 H new ATOM 0 HG3 MET A 148 -16.211 4.855 0.998 1.00 0.00 H new ATOM 0 HE1 MET A 148 -16.691 3.874 -2.867 1.00 0.00 H new ATOM 0 HE2 MET A 148 -15.269 4.416 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 148 -16.339 3.162 -1.274 1.00 0.00 H new ATOM 463 N ILE A 149 -18.004 0.666 2.403 1.00 0.00 N ATOM 464 CA ILE A 149 -18.546 -0.688 2.499 1.00 0.00 C ATOM 465 C ILE A 149 -19.436 -0.843 3.728 1.00 0.00 C ATOM 466 O ILE A 149 -20.539 -1.383 3.643 1.00 0.00 O ATOM 467 CB ILE A 149 -17.421 -1.744 2.559 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.598 -1.718 1.269 1.00 0.00 C ATOM 469 CG2 ILE A 149 -18.004 -3.131 2.794 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.375 -2.611 1.310 1.00 0.00 C ATOM 0 H ILE A 149 -16.988 0.710 2.321 1.00 0.00 H new ATOM 0 HA ILE A 149 -19.141 -0.851 1.600 1.00 0.00 H new ATOM 0 HB ILE A 149 -16.763 -1.503 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -17.233 -2.024 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -16.283 -0.694 1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.197 -3.863 2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -18.550 -3.141 3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -18.683 -3.383 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -14.841 -2.541 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -14.719 -2.292 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -15.683 -3.643 1.477 1.00 0.00 H new ATOM 482 N GLN A 150 -18.949 -0.368 4.870 1.00 0.00 N ATOM 483 CA GLN A 150 -19.701 -0.458 6.117 1.00 0.00 C ATOM 484 C GLN A 150 -20.974 0.381 6.055 1.00 0.00 C ATOM 485 O GLN A 150 -22.022 -0.026 6.555 1.00 0.00 O ATOM 486 CB GLN A 150 -18.835 -0.004 7.295 1.00 0.00 C ATOM 487 CG GLN A 150 -17.547 -0.797 7.446 1.00 0.00 C ATOM 488 CD GLN A 150 -17.791 -2.282 7.624 1.00 0.00 C ATOM 489 OE1 GLN A 150 -18.448 -2.707 8.574 1.00 0.00 O ATOM 490 NE2 GLN A 150 -17.263 -3.082 6.704 1.00 0.00 N ATOM 0 H GLN A 150 -18.038 0.083 4.958 1.00 0.00 H new ATOM 0 HA GLN A 150 -19.984 -1.501 6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -18.590 1.051 7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -19.414 -0.089 8.215 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -16.923 -0.639 6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -16.991 -0.419 8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -16.725 -2.687 5.933 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -17.396 -4.091 6.769 1.00 0.00 H new ATOM 499 N THR A 151 -20.874 1.561 5.451 1.00 0.00 N ATOM 500 CA THR A 151 -22.019 2.461 5.337 1.00 0.00 C ATOM 501 C THR A 151 -23.129 1.865 4.470 1.00 0.00 C ATOM 502 O THR A 151 -24.304 1.914 4.833 1.00 0.00 O ATOM 503 CB THR A 151 -21.600 3.821 4.747 1.00 0.00 C ATOM 504 OG1 THR A 151 -20.595 4.423 5.569 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.795 4.759 4.634 1.00 0.00 C ATOM 0 H THR A 151 -20.014 1.917 5.033 1.00 0.00 H new ATOM 0 HA THR A 151 -22.402 2.604 6.348 1.00 0.00 H new ATOM 0 HB THR A 151 -21.199 3.647 3.748 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.733 3.985 5.406 1.00 0.00 H new ATOM 0 HG21 THR A 151 -22.471 5.712 4.215 1.00 0.00 H new ATOM 0 HG22 THR A 151 -23.547 4.313 3.983 1.00 0.00 H new ATOM 0 HG23 THR A 151 -23.223 4.924 5.623 1.00 0.00 H new ATOM 513 N TYR A 152 -22.750 1.319 3.320 1.00 0.00 N ATOM 514 CA TYR A 152 -23.712 0.729 2.392 1.00 0.00 C ATOM 515 C TYR A 152 -24.383 -0.508 2.976 1.00 0.00 C ATOM 516 O TYR A 152 -25.590 -0.697 2.819 1.00 0.00 O ATOM 517 CB TYR A 152 -23.029 0.370 1.070 1.00 0.00 C ATOM 518 CG TYR A 152 -22.632 1.567 0.229 1.00 0.00 C ATOM 519 CD1 TYR A 152 -22.118 2.724 0.809 1.00 0.00 C ATOM 520 CD2 TYR A 152 -22.771 1.537 -1.150 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.760 3.811 0.036 1.00 0.00 C ATOM 522 CE2 TYR A 152 -22.414 2.620 -1.928 1.00 0.00 C ATOM 523 CZ TYR A 152 -21.908 3.753 -1.332 1.00 0.00 C ATOM 524 OH TYR A 152 -21.551 4.834 -2.106 1.00 0.00 O ATOM 0 H TYR A 152 -21.781 1.272 3.006 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.485 1.476 2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -22.138 -0.221 1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.699 -0.262 0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -21.997 2.772 1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -23.166 0.650 -1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -21.366 4.702 0.502 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -22.531 2.579 -3.001 1.00 0.00 H new ATOM 0 HH TYR A 152 -20.821 5.321 -1.670 1.00 0.00 H new ATOM 649 N LYS A 161 -24.795 -0.569 -6.188 1.00 0.00 N ATOM 650 CA LYS A 161 -24.010 -0.305 -7.393 1.00 0.00 C ATOM 651 C LYS A 161 -22.654 0.284 -7.013 1.00 0.00 C ATOM 652 O LYS A 161 -21.603 -0.254 -7.374 1.00 0.00 O ATOM 653 CB LYS A 161 -24.777 0.652 -8.318 1.00 0.00 C ATOM 654 CG LYS A 161 -24.179 0.800 -9.713 1.00 0.00 C ATOM 655 CD LYS A 161 -22.910 1.638 -9.709 1.00 0.00 C ATOM 656 CE LYS A 161 -22.351 1.806 -11.113 1.00 0.00 C ATOM 657 NZ LYS A 161 -22.003 0.498 -11.733 1.00 0.00 N ATOM 0 HA LYS A 161 -23.843 -1.241 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -25.804 0.300 -8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -24.819 1.635 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -23.959 -0.188 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -24.914 1.260 -10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -23.121 2.618 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -22.162 1.165 -9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -23.083 2.320 -11.736 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -21.464 2.438 -11.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -21.429 0.659 -12.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -21.461 -0.075 -11.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -22.875 -0.006 -11.993 1.00 0.00 H new ATOM 671 N LEU A 162 -22.685 1.379 -6.263 1.00 0.00 N ATOM 672 CA LEU A 162 -21.463 2.026 -5.815 1.00 0.00 C ATOM 673 C LEU A 162 -20.689 1.102 -4.885 1.00 0.00 C ATOM 674 O LEU A 162 -19.459 1.118 -4.866 1.00 0.00 O ATOM 675 CB LEU A 162 -21.776 3.349 -5.109 1.00 0.00 C ATOM 676 CG LEU A 162 -22.357 4.444 -6.004 1.00 0.00 C ATOM 677 CD1 LEU A 162 -22.702 5.674 -5.179 1.00 0.00 C ATOM 678 CD2 LEU A 162 -21.377 4.804 -7.112 1.00 0.00 C ATOM 0 H LEU A 162 -23.543 1.835 -5.954 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.849 2.242 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -22.479 3.153 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -20.860 3.724 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 162 -23.271 4.067 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -23.114 6.445 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -23.438 5.408 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -21.801 6.052 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -21.807 5.585 -7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -20.447 5.163 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -21.174 3.922 -7.719 1.00 0.00 H new ATOM 690 N LEU A 163 -21.419 0.288 -4.123 1.00 0.00 N ATOM 691 CA LEU A 163 -20.792 -0.652 -3.202 1.00 0.00 C ATOM 692 C LEU A 163 -19.828 -1.559 -3.949 1.00 0.00 C ATOM 693 O LEU A 163 -18.668 -1.690 -3.566 1.00 0.00 O ATOM 694 CB LEU A 163 -21.839 -1.507 -2.487 1.00 0.00 C ATOM 695 CG LEU A 163 -21.261 -2.651 -1.649 1.00 0.00 C ATOM 696 CD1 LEU A 163 -20.458 -2.108 -0.480 1.00 0.00 C ATOM 697 CD2 LEU A 163 -22.364 -3.570 -1.158 1.00 0.00 C ATOM 0 H LEU A 163 -22.439 0.262 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.247 -0.072 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -22.434 -0.864 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.517 -1.925 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 163 -20.592 -3.231 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -20.056 -2.937 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -19.637 -1.497 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -21.103 -1.499 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -21.930 -4.375 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -23.063 -3.003 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -22.892 -3.993 -2.012 1.00 0.00 H new ATOM 709 N LEU A 164 -20.316 -2.179 -5.021 1.00 0.00 N ATOM 710 CA LEU A 164 -19.493 -3.071 -5.826 1.00 0.00 C ATOM 711 C LEU A 164 -18.256 -2.337 -6.321 1.00 0.00 C ATOM 712 O LEU A 164 -17.148 -2.874 -6.277 1.00 0.00 O ATOM 713 CB LEU A 164 -20.292 -3.629 -7.004 1.00 0.00 C ATOM 714 CG LEU A 164 -21.486 -4.508 -6.621 1.00 0.00 C ATOM 715 CD1 LEU A 164 -22.169 -5.048 -7.865 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.045 -5.651 -5.718 1.00 0.00 C ATOM 0 H LEU A 164 -21.276 -2.079 -5.350 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.178 -3.908 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -20.653 -2.795 -7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -19.620 -4.210 -7.636 1.00 0.00 H new ATOM 0 HG LEU A 164 -22.200 -3.894 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -23.015 -5.671 -7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -22.523 -4.217 -8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -21.460 -5.645 -8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -21.909 -6.263 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -20.310 -6.264 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -20.600 -5.246 -4.809 1.00 0.00 H new ATOM 728 N THR A 165 -18.446 -1.098 -6.768 1.00 0.00 N ATOM 729 CA THR A 165 -17.331 -0.290 -7.240 1.00 0.00 C ATOM 730 C THR A 165 -16.279 -0.176 -6.142 1.00 0.00 C ATOM 731 O THR A 165 -15.078 -0.284 -6.395 1.00 0.00 O ATOM 732 CB THR A 165 -17.790 1.122 -7.657 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.790 1.029 -8.678 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.617 1.945 -8.166 1.00 0.00 C ATOM 0 H THR A 165 -19.355 -0.637 -6.812 1.00 0.00 H new ATOM 0 HA THR A 165 -16.908 -0.782 -8.116 1.00 0.00 H new ATOM 0 HB THR A 165 -18.208 1.617 -6.781 1.00 0.00 H new ATOM 0 HG1 THR A 165 -19.616 0.668 -8.295 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.966 2.937 -8.454 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.869 2.038 -7.379 1.00 0.00 H new ATOM 0 HG23 THR A 165 -16.174 1.451 -9.031 1.00 0.00 H new ATOM 742 N ALA A 166 -16.751 0.022 -4.913 1.00 0.00 N ATOM 743 CA ALA A 166 -15.874 0.131 -3.755 1.00 0.00 C ATOM 744 C ALA A 166 -15.236 -1.218 -3.439 1.00 0.00 C ATOM 745 O ALA A 166 -14.069 -1.293 -3.057 1.00 0.00 O ATOM 746 CB ALA A 166 -16.653 0.644 -2.552 1.00 0.00 C ATOM 0 H ALA A 166 -17.744 0.110 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.080 0.841 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -15.987 0.721 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.068 1.626 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.463 -0.047 -2.322 1.00 0.00 H new ATOM 752 N GLN A 167 -16.016 -2.282 -3.613 1.00 0.00 N ATOM 753 CA GLN A 167 -15.547 -3.639 -3.362 1.00 0.00 C ATOM 754 C GLN A 167 -14.305 -3.927 -4.195 1.00 0.00 C ATOM 755 O GLN A 167 -13.325 -4.481 -3.698 1.00 0.00 O ATOM 756 CB GLN A 167 -16.655 -4.651 -3.686 1.00 0.00 C ATOM 757 CG GLN A 167 -17.892 -4.514 -2.804 1.00 0.00 C ATOM 758 CD GLN A 167 -17.634 -4.915 -1.364 1.00 0.00 C ATOM 759 OE1 GLN A 167 -16.791 -4.331 -0.686 1.00 0.00 O ATOM 760 NE2 GLN A 167 -18.363 -5.919 -0.889 1.00 0.00 N ATOM 0 H GLN A 167 -16.984 -2.227 -3.930 1.00 0.00 H new ATOM 0 HA GLN A 167 -15.288 -3.733 -2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.949 -4.532 -4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -16.255 -5.659 -3.581 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -18.240 -3.481 -2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -18.693 -5.132 -3.211 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -19.052 -6.376 -1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -18.234 -6.233 0.073 1.00 0.00 H new ATOM 769 N GLN A 168 -14.350 -3.530 -5.464 1.00 0.00 N ATOM 770 CA GLN A 168 -13.222 -3.725 -6.367 1.00 0.00 C ATOM 771 C GLN A 168 -12.034 -2.888 -5.910 1.00 0.00 C ATOM 772 O GLN A 168 -10.889 -3.341 -5.950 1.00 0.00 O ATOM 773 CB GLN A 168 -13.610 -3.350 -7.799 1.00 0.00 C ATOM 774 CG GLN A 168 -12.483 -3.530 -8.804 1.00 0.00 C ATOM 775 CD GLN A 168 -11.989 -4.961 -8.873 1.00 0.00 C ATOM 776 OE1 GLN A 168 -12.748 -5.878 -9.190 1.00 0.00 O ATOM 777 NE2 GLN A 168 -10.709 -5.161 -8.578 1.00 0.00 N ATOM 0 H GLN A 168 -15.156 -3.071 -5.889 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.941 -4.778 -6.348 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.460 -3.958 -8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -13.939 -2.311 -7.817 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -12.828 -3.220 -9.791 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -11.654 -2.875 -8.536 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -10.116 -4.372 -8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -10.320 -6.103 -8.609 1.00 0.00 H new ATOM 786 N MET A 169 -12.319 -1.665 -5.467 1.00 0.00 N ATOM 787 CA MET A 169 -11.282 -0.757 -4.991 1.00 0.00 C ATOM 788 C MET A 169 -10.482 -1.388 -3.859 1.00 0.00 C ATOM 789 O MET A 169 -9.251 -1.348 -3.859 1.00 0.00 O ATOM 790 CB MET A 169 -11.903 0.550 -4.499 1.00 0.00 C ATOM 791 CG MET A 169 -12.493 1.410 -5.602 1.00 0.00 C ATOM 792 SD MET A 169 -13.301 2.888 -4.957 1.00 0.00 S ATOM 793 CE MET A 169 -11.997 3.565 -3.929 1.00 0.00 C ATOM 0 H MET A 169 -13.263 -1.281 -5.429 1.00 0.00 H new ATOM 0 HA MET A 169 -10.612 -0.551 -5.826 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.685 0.318 -3.776 1.00 0.00 H new ATOM 0 HB3 MET A 169 -11.142 1.126 -3.972 1.00 0.00 H new ATOM 0 HG2 MET A 169 -11.703 1.703 -6.294 1.00 0.00 H new ATOM 0 HG3 MET A 169 -13.214 0.823 -6.171 1.00 0.00 H new ATOM 0 HE1 MET A 169 -12.129 4.643 -3.837 1.00 0.00 H new ATOM 0 HE2 MET A 169 -12.039 3.108 -2.940 1.00 0.00 H new ATOM 0 HE3 MET A 169 -11.029 3.356 -4.384 1.00 0.00 H new ATOM 803 N LEU A 170 -11.189 -1.958 -2.890 1.00 0.00 N ATOM 804 CA LEU A 170 -10.544 -2.586 -1.745 1.00 0.00 C ATOM 805 C LEU A 170 -9.634 -3.732 -2.180 1.00 0.00 C ATOM 806 O LEU A 170 -8.505 -3.850 -1.706 1.00 0.00 O ATOM 807 CB LEU A 170 -11.591 -3.098 -0.753 1.00 0.00 C ATOM 808 CG LEU A 170 -11.021 -3.751 0.510 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.146 -2.767 1.271 1.00 0.00 C ATOM 810 CD2 LEU A 170 -12.144 -4.260 1.398 1.00 0.00 C ATOM 0 H LEU A 170 -12.208 -1.998 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.930 -1.830 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.228 -2.264 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.229 -3.821 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 170 -10.405 -4.599 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -9.750 -3.248 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -9.321 -2.447 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -10.740 -1.899 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -11.721 -4.721 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -12.784 -3.427 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -12.733 -4.998 0.853 1.00 0.00 H new ATOM 822 N GLN A 171 -10.133 -4.577 -3.077 1.00 0.00 N ATOM 823 CA GLN A 171 -9.361 -5.715 -3.566 1.00 0.00 C ATOM 824 C GLN A 171 -8.070 -5.254 -4.235 1.00 0.00 C ATOM 825 O GLN A 171 -6.995 -5.792 -3.966 1.00 0.00 O ATOM 826 CB GLN A 171 -10.193 -6.541 -4.551 1.00 0.00 C ATOM 827 CG GLN A 171 -9.458 -7.750 -5.113 1.00 0.00 C ATOM 828 CD GLN A 171 -9.133 -8.805 -4.065 1.00 0.00 C ATOM 829 OE1 GLN A 171 -9.602 -8.605 -2.837 1.00 0.00 O flip ATOM 830 NE2 GLN A 171 -8.473 -9.800 -4.362 1.00 0.00 N flip ATOM 0 H GLN A 171 -11.067 -4.496 -3.480 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.102 -6.337 -2.709 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -11.101 -6.879 -4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -10.504 -5.900 -5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -10.066 -8.203 -5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -8.532 -7.417 -5.581 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -8.130 -9.919 -5.315 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -8.269 -10.506 -3.655 1.00 0.00 H new ATOM 839 N ASP A 172 -8.182 -4.256 -5.104 1.00 0.00 N ATOM 840 CA ASP A 172 -7.022 -3.722 -5.810 1.00 0.00 C ATOM 841 C ASP A 172 -6.016 -3.130 -4.829 1.00 0.00 C ATOM 842 O ASP A 172 -4.807 -3.302 -4.984 1.00 0.00 O ATOM 843 CB ASP A 172 -7.454 -2.658 -6.819 1.00 0.00 C ATOM 844 CG ASP A 172 -6.281 -2.089 -7.594 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.593 -2.869 -8.286 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.051 -0.864 -7.511 1.00 0.00 O ATOM 0 H ASP A 172 -9.064 -3.800 -5.337 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.544 -4.543 -6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.171 -3.092 -7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -7.966 -1.851 -6.295 1.00 0.00 H new ATOM 851 N SER A 173 -6.527 -2.430 -3.820 1.00 0.00 N ATOM 852 CA SER A 173 -5.678 -1.808 -2.810 1.00 0.00 C ATOM 853 C SER A 173 -4.842 -2.855 -2.082 1.00 0.00 C ATOM 854 O SER A 173 -3.639 -2.674 -1.887 1.00 0.00 O ATOM 855 CB SER A 173 -6.534 -1.032 -1.806 1.00 0.00 C ATOM 856 OG SER A 173 -7.286 -0.020 -2.453 1.00 0.00 O ATOM 0 H SER A 173 -7.526 -2.280 -3.681 1.00 0.00 H new ATOM 0 HA SER A 173 -5.002 -1.117 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 173 -7.208 -1.717 -1.291 1.00 0.00 H new ATOM 0 HB3 SER A 173 -5.893 -0.584 -1.046 1.00 0.00 H new ATOM 0 HG SER A 173 -7.965 -0.433 -3.026 1.00 0.00 H new ATOM 862 N LYS A 174 -5.484 -3.948 -1.685 1.00 0.00 N ATOM 863 CA LYS A 174 -4.797 -5.025 -0.981 1.00 0.00 C ATOM 864 C LYS A 174 -3.656 -5.586 -1.822 1.00 0.00 C ATOM 865 O LYS A 174 -2.574 -5.867 -1.307 1.00 0.00 O ATOM 866 CB LYS A 174 -5.781 -6.138 -0.618 1.00 0.00 C ATOM 867 CG LYS A 174 -6.900 -5.682 0.304 1.00 0.00 C ATOM 868 CD LYS A 174 -7.811 -6.834 0.696 1.00 0.00 C ATOM 869 CE LYS A 174 -7.062 -7.893 1.492 1.00 0.00 C ATOM 870 NZ LYS A 174 -6.473 -7.333 2.740 1.00 0.00 N ATOM 0 H LYS A 174 -6.479 -4.112 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.376 -4.614 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.216 -6.540 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.236 -6.952 -0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -6.472 -5.235 1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.486 -4.907 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -8.644 -6.455 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -8.236 -7.285 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -7.742 -8.707 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -6.270 -8.319 0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -5.834 -8.033 3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -5.940 -6.469 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -7.234 -7.105 3.411 1.00 0.00 H new ATOM 884 N THR A 175 -3.904 -5.743 -3.120 1.00 0.00 N ATOM 885 CA THR A 175 -2.892 -6.265 -4.031 1.00 0.00 C ATOM 886 C THR A 175 -1.648 -5.384 -4.018 1.00 0.00 C ATOM 887 O THR A 175 -0.522 -5.881 -3.967 1.00 0.00 O ATOM 888 CB THR A 175 -3.427 -6.364 -5.473 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.585 -7.206 -5.510 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.364 -6.917 -6.411 1.00 0.00 C ATOM 0 H THR A 175 -4.795 -5.517 -3.562 1.00 0.00 H new ATOM 0 HA THR A 175 -2.634 -7.265 -3.684 1.00 0.00 H new ATOM 0 HB THR A 175 -3.695 -5.361 -5.805 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.331 -6.756 -5.062 1.00 0.00 H new ATOM 0 HG21 THR A 175 -2.767 -6.977 -7.422 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.495 -6.259 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.068 -7.912 -6.079 1.00 0.00 H new ATOM 898 N LYS A 176 -1.860 -4.072 -4.058 1.00 0.00 N ATOM 899 CA LYS A 176 -0.758 -3.117 -4.043 1.00 0.00 C ATOM 900 C LYS A 176 0.033 -3.230 -2.745 1.00 0.00 C ATOM 901 O LYS A 176 1.263 -3.179 -2.749 1.00 0.00 O ATOM 902 CB LYS A 176 -1.287 -1.689 -4.210 1.00 0.00 C ATOM 903 CG LYS A 176 -2.049 -1.468 -5.508 1.00 0.00 C ATOM 904 CD LYS A 176 -1.151 -1.645 -6.723 1.00 0.00 C ATOM 905 CE LYS A 176 -1.933 -1.494 -8.018 1.00 0.00 C ATOM 906 NZ LYS A 176 -2.600 -0.166 -8.115 1.00 0.00 N ATOM 0 H LYS A 176 -2.786 -3.646 -4.101 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.095 -3.348 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.941 -1.452 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.449 -0.993 -4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -2.882 -2.169 -5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.476 -0.465 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -0.347 -0.909 -6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -0.683 -2.629 -6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -1.260 -1.624 -8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -2.683 -2.282 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -2.963 -0.030 -9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -3.389 -0.124 -7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -1.914 0.584 -7.894 1.00 0.00 H new ATOM 920 N ILE A 177 -0.685 -3.384 -1.636 1.00 0.00 N ATOM 921 CA ILE A 177 -0.059 -3.507 -0.326 1.00 0.00 C ATOM 922 C ILE A 177 0.893 -4.696 -0.286 1.00 0.00 C ATOM 923 O ILE A 177 2.000 -4.601 0.244 1.00 0.00 O ATOM 924 CB ILE A 177 -1.116 -3.656 0.787 1.00 0.00 C ATOM 925 CG1 ILE A 177 -2.065 -2.458 0.756 1.00 0.00 C ATOM 926 CG2 ILE A 177 -0.442 -3.779 2.148 1.00 0.00 C ATOM 927 CD1 ILE A 177 -3.167 -2.511 1.791 1.00 0.00 C ATOM 0 H ILE A 177 -1.704 -3.427 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 177 0.507 -2.592 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.692 -4.565 0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.486 -1.547 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.515 -2.391 -0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -1.202 -3.883 2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.206 -4.655 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.153 -2.886 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.794 -1.624 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.774 -3.402 1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -2.728 -2.544 2.788 1.00 0.00 H new ATOM 939 N ASP A 178 0.457 -5.814 -0.858 1.00 0.00 N ATOM 940 CA ASP A 178 1.276 -7.019 -0.897 1.00 0.00 C ATOM 941 C ASP A 178 2.563 -6.760 -1.673 1.00 0.00 C ATOM 942 O ASP A 178 3.640 -7.207 -1.277 1.00 0.00 O ATOM 943 CB ASP A 178 0.499 -8.171 -1.537 1.00 0.00 C ATOM 944 CG ASP A 178 -0.775 -8.504 -0.784 1.00 0.00 C ATOM 945 OD1 ASP A 178 -1.050 -7.847 0.243 1.00 0.00 O ATOM 946 OD2 ASP A 178 -1.500 -9.423 -1.222 1.00 0.00 O ATOM 0 H ASP A 178 -0.457 -5.910 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 178 1.533 -7.296 0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 178 0.251 -7.910 -2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 178 1.135 -9.055 -1.577 1.00 0.00 H new ATOM 951 N ILE A 179 2.441 -6.029 -2.778 1.00 0.00 N ATOM 952 CA ILE A 179 3.590 -5.703 -3.612 1.00 0.00 C ATOM 953 C ILE A 179 4.602 -4.856 -2.847 1.00 0.00 C ATOM 954 O ILE A 179 5.806 -5.101 -2.918 1.00 0.00 O ATOM 955 CB ILE A 179 3.169 -4.952 -4.890 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.184 -5.800 -5.703 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.394 -4.600 -5.723 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.677 -5.114 -6.955 1.00 0.00 C ATOM 0 H ILE A 179 1.556 -5.652 -3.115 1.00 0.00 H new ATOM 0 HA ILE A 179 4.051 -6.650 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 179 2.671 -4.025 -4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 179 2.669 -6.735 -5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 179 1.334 -6.058 -5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 179 4.082 -4.070 -6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 179 5.060 -3.964 -5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.918 -5.514 -6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.985 -5.775 -7.477 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.162 -4.193 -6.682 1.00 0.00 H new ATOM 0 HD13 ILE A 179 2.518 -4.880 -7.608 1.00 0.00 H new ATOM 970 N ILE A 180 4.108 -3.857 -2.115 1.00 0.00 N ATOM 971 CA ILE A 180 4.980 -2.982 -1.341 1.00 0.00 C ATOM 972 C ILE A 180 5.796 -3.784 -0.334 1.00 0.00 C ATOM 973 O ILE A 180 7.013 -3.630 -0.249 1.00 0.00 O ATOM 974 CB ILE A 180 4.183 -1.887 -0.596 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.455 -0.986 -1.601 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.106 -1.062 0.295 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.695 0.157 -0.958 1.00 0.00 C ATOM 0 H ILE A 180 3.115 -3.637 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 180 5.651 -2.497 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 180 3.441 -2.370 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.183 -0.577 -2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 180 2.759 -1.592 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.526 -0.297 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.581 -1.713 1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 180 5.872 -0.586 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.207 0.750 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 180 1.943 -0.243 -0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.388 0.787 -0.401 1.00 0.00 H new ATOM 989 N ARG A 181 5.121 -4.650 0.418 1.00 0.00 N ATOM 990 CA ARG A 181 5.791 -5.482 1.412 1.00 0.00 C ATOM 991 C ARG A 181 6.937 -6.259 0.775 1.00 0.00 C ATOM 992 O ARG A 181 8.013 -6.388 1.361 1.00 0.00 O ATOM 993 CB ARG A 181 4.798 -6.447 2.062 1.00 0.00 C ATOM 994 CG ARG A 181 3.683 -5.748 2.822 1.00 0.00 C ATOM 995 CD ARG A 181 2.769 -6.745 3.516 1.00 0.00 C ATOM 996 NE ARG A 181 2.117 -7.643 2.568 1.00 0.00 N ATOM 997 CZ ARG A 181 1.281 -8.614 2.927 1.00 0.00 C ATOM 998 NH1 ARG A 181 1.004 -8.814 4.209 1.00 0.00 N ATOM 999 NH2 ARG A 181 0.722 -9.385 2.005 1.00 0.00 N ATOM 0 H ARG A 181 4.113 -4.793 0.358 1.00 0.00 H new ATOM 0 HA ARG A 181 6.199 -4.829 2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 181 4.360 -7.080 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 181 5.336 -7.104 2.745 1.00 0.00 H new ATOM 0 HG2 ARG A 181 4.114 -5.072 3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 181 3.100 -5.137 2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 181 3.348 -7.331 4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 181 2.011 -6.207 4.085 1.00 0.00 H new ATOM 0 HE ARG A 181 2.313 -7.519 1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 181 1.432 -8.223 4.922 1.00 0.00 H new ATOM 0 HH12 ARG A 181 0.363 -9.559 4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 181 0.932 -9.234 1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 181 0.081 -10.129 2.282 1.00 0.00 H new ATOM 1013 N MET A 182 6.702 -6.767 -0.431 1.00 0.00 N ATOM 1014 CA MET A 182 7.717 -7.521 -1.155 1.00 0.00 C ATOM 1015 C MET A 182 8.952 -6.659 -1.400 1.00 0.00 C ATOM 1016 O MET A 182 10.079 -7.095 -1.173 1.00 0.00 O ATOM 1017 CB MET A 182 7.160 -8.023 -2.489 1.00 0.00 C ATOM 1018 CG MET A 182 5.998 -8.991 -2.341 1.00 0.00 C ATOM 1019 SD MET A 182 6.454 -10.494 -1.457 1.00 0.00 S ATOM 1020 CE MET A 182 4.907 -11.397 -1.504 1.00 0.00 C ATOM 0 H MET A 182 5.816 -6.669 -0.927 1.00 0.00 H new ATOM 0 HA MET A 182 8.003 -8.379 -0.546 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.836 -7.168 -3.082 1.00 0.00 H new ATOM 0 HB3 MET A 182 7.960 -8.512 -3.046 1.00 0.00 H new ATOM 0 HG2 MET A 182 5.183 -8.496 -1.812 1.00 0.00 H new ATOM 0 HG3 MET A 182 5.622 -9.255 -3.329 1.00 0.00 H new ATOM 0 HE1 MET A 182 5.028 -12.353 -0.995 1.00 0.00 H new ATOM 0 HE2 MET A 182 4.131 -10.816 -1.005 1.00 0.00 H new ATOM 0 HE3 MET A 182 4.619 -11.572 -2.541 1.00 0.00 H new ATOM 1030 N GLN A 183 8.725 -5.431 -1.860 1.00 0.00 N ATOM 1031 CA GLN A 183 9.816 -4.502 -2.135 1.00 0.00 C ATOM 1032 C GLN A 183 10.637 -4.238 -0.876 1.00 0.00 C ATOM 1033 O GLN A 183 11.865 -4.193 -0.924 1.00 0.00 O ATOM 1034 CB GLN A 183 9.265 -3.184 -2.685 1.00 0.00 C ATOM 1035 CG GLN A 183 8.483 -3.346 -3.979 1.00 0.00 C ATOM 1036 CD GLN A 183 7.942 -2.031 -4.518 1.00 0.00 C ATOM 1037 OE1 GLN A 183 8.216 -0.934 -3.817 1.00 0.00 O flip ATOM 1038 NE2 GLN A 183 7.285 -2.002 -5.558 1.00 0.00 N flip ATOM 0 H GLN A 183 7.795 -5.057 -2.050 1.00 0.00 H new ATOM 0 HA GLN A 183 10.467 -4.956 -2.882 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.619 -2.728 -1.934 1.00 0.00 H new ATOM 0 HB3 GLN A 183 10.093 -2.496 -2.854 1.00 0.00 H new ATOM 0 HG2 GLN A 183 9.127 -3.802 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 183 7.653 -4.032 -3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 183 7.097 -2.866 -6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 183 6.929 -1.114 -5.912 1.00 0.00 H new ATOM 1047 N LEU A 184 9.948 -4.069 0.248 1.00 0.00 N ATOM 1048 CA LEU A 184 10.608 -3.815 1.525 1.00 0.00 C ATOM 1049 C LEU A 184 11.524 -4.973 1.913 1.00 0.00 C ATOM 1050 O LEU A 184 12.638 -4.759 2.387 1.00 0.00 O ATOM 1051 CB LEU A 184 9.567 -3.577 2.626 1.00 0.00 C ATOM 1052 CG LEU A 184 9.002 -2.152 2.704 1.00 0.00 C ATOM 1053 CD1 LEU A 184 10.076 -1.179 3.165 1.00 0.00 C ATOM 1054 CD2 LEU A 184 8.437 -1.719 1.360 1.00 0.00 C ATOM 0 H LEU A 184 8.930 -4.103 0.301 1.00 0.00 H new ATOM 0 HA LEU A 184 11.219 -2.920 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 184 8.739 -4.270 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 184 10.018 -3.824 3.587 1.00 0.00 H new ATOM 0 HG LEU A 184 8.191 -2.148 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 184 9.659 -0.173 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 184 10.434 -1.473 4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 184 10.906 -1.193 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 184 8.043 -0.706 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 184 9.227 -1.742 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 184 7.636 -2.398 1.066 1.00 0.00 H new ATOM 1066 N ARG A 185 11.047 -6.197 1.708 1.00 0.00 N ATOM 1067 CA ARG A 185 11.828 -7.387 2.039 1.00 0.00 C ATOM 1068 C ARG A 185 13.159 -7.393 1.293 1.00 0.00 C ATOM 1069 O ARG A 185 14.220 -7.562 1.897 1.00 0.00 O ATOM 1070 CB ARG A 185 11.040 -8.655 1.704 1.00 0.00 C ATOM 1071 CG ARG A 185 9.760 -8.809 2.509 1.00 0.00 C ATOM 1072 CD ARG A 185 9.022 -10.087 2.143 1.00 0.00 C ATOM 1073 NE ARG A 185 7.809 -10.269 2.938 1.00 0.00 N ATOM 1074 CZ ARG A 185 7.805 -10.428 4.260 1.00 0.00 C ATOM 1075 NH1 ARG A 185 8.945 -10.441 4.937 1.00 0.00 N ATOM 1076 NH2 ARG A 185 6.657 -10.576 4.905 1.00 0.00 N ATOM 0 H ARG A 185 10.126 -6.392 1.315 1.00 0.00 H new ATOM 0 HA ARG A 185 12.031 -7.366 3.110 1.00 0.00 H new ATOM 0 HB2 ARG A 185 10.793 -8.649 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 185 11.675 -9.524 1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 185 9.997 -8.816 3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 185 9.112 -7.950 2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 185 8.761 -10.064 1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 185 9.683 -10.941 2.290 1.00 0.00 H new ATOM 0 HE ARG A 185 6.913 -10.275 2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 185 9.832 -10.329 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 185 8.935 -10.563 5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 185 5.777 -10.568 4.389 1.00 0.00 H new ATOM 0 HH22 ARG A 185 6.653 -10.698 5.918 1.00 0.00 H new ATOM 1090 N ARG A 186 13.098 -7.203 -0.021 1.00 0.00 N ATOM 1091 CA ARG A 186 14.299 -7.182 -0.848 1.00 0.00 C ATOM 1092 C ARG A 186 15.173 -5.980 -0.504 1.00 0.00 C ATOM 1093 O ARG A 186 16.400 -6.070 -0.511 1.00 0.00 O ATOM 1094 CB ARG A 186 13.935 -7.162 -2.337 1.00 0.00 C ATOM 1095 CG ARG A 186 13.452 -8.503 -2.878 1.00 0.00 C ATOM 1096 CD ARG A 186 12.166 -8.961 -2.206 1.00 0.00 C ATOM 1097 NE ARG A 186 11.684 -10.228 -2.747 1.00 0.00 N ATOM 1098 CZ ARG A 186 10.565 -10.823 -2.342 1.00 0.00 C ATOM 1099 NH1 ARG A 186 9.815 -10.264 -1.402 1.00 0.00 N ATOM 1100 NH2 ARG A 186 10.192 -11.977 -2.880 1.00 0.00 N ATOM 0 H ARG A 186 12.229 -7.061 -0.536 1.00 0.00 H new ATOM 0 HA ARG A 186 14.863 -8.091 -0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 186 13.158 -6.415 -2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 186 14.807 -6.844 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 186 13.290 -8.423 -3.953 1.00 0.00 H new ATOM 0 HG3 ARG A 186 14.227 -9.255 -2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 186 12.335 -9.066 -1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 186 11.399 -8.197 -2.334 1.00 0.00 H new ATOM 0 HE ARG A 186 12.235 -10.682 -3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 186 10.095 -9.375 -0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 186 8.958 -10.723 -1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 186 10.764 -12.410 -3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 186 9.334 -12.431 -2.568 1.00 0.00 H new ATOM 1114 N ALA A 187 14.531 -4.855 -0.200 1.00 0.00 N ATOM 1115 CA ALA A 187 15.246 -3.634 0.152 1.00 0.00 C ATOM 1116 C ALA A 187 16.124 -3.852 1.377 1.00 0.00 C ATOM 1117 O ALA A 187 17.269 -3.405 1.420 1.00 0.00 O ATOM 1118 CB ALA A 187 14.262 -2.500 0.403 1.00 0.00 C ATOM 0 H ALA A 187 13.515 -4.765 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 187 15.890 -3.363 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 187 14.809 -1.595 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.675 -2.321 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.596 -2.771 1.222 1.00 0.00 H new