USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=12 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 147 ASN : amide:sc= -0.294 K(o=-1.8,f=-0.55) USER MOD Set 1.2: A 150 GLN : amide:sc= -2.03 K(o=-1.8,f=0.71) USER MOD Set 1.3: A 151 THR OG1 : rot 97:sc= 0.543 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.14) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 178:sc= -2.02! (180deg=-2.13!) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 MET CE :methyl 139:sc= -0.127 (180deg=-0.704) USER MOD Single : A 152 TYR OH : rot 130:sc= 0 USER MOD Single : A 161 LYS NZ :NH3+ 165:sc= -0.0491 (180deg=-0.266) USER MOD Single : A 165 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 167 GLN : amide:sc= -0.772 K(o=-0.77,f=-4.2!) USER MOD Single : A 168 GLN : amide:sc= -0.0662 X(o=-0.066,f=-0.066) USER MOD Single : A 169 MET CE :methyl 155:sc= -0.256 (180deg=-1.1) USER MOD Single : A 171 GLN : amide:sc= -1.08! K(o=-1.1!,f=0) USER MOD Single : A 173 SER OG : rot -36:sc= 1.08 USER MOD Single : A 174 LYS NZ :NH3+ 147:sc= -5.81! (180deg=-8.24!) USER MOD Single : A 175 THR OG1 : rot 76:sc= 0.384 USER MOD Single : A 176 LYS NZ :NH3+ -164:sc= -0.0366 (180deg=-0.331) USER MOD Single : A 182 MET CE :methyl 160:sc= -0.257 (180deg=-1.01) USER MOD Single : A 183 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 14.546 6.558 -1.689 1.00 0.00 N ATOM 112 CA ARG A 127 14.077 5.181 -1.820 1.00 0.00 C ATOM 113 C ARG A 127 13.329 4.722 -0.568 1.00 0.00 C ATOM 114 O ARG A 127 12.250 4.137 -0.661 1.00 0.00 O ATOM 115 CB ARG A 127 15.256 4.244 -2.093 1.00 0.00 C ATOM 116 CG ARG A 127 14.858 2.790 -2.320 1.00 0.00 C ATOM 117 CD ARG A 127 14.065 2.609 -3.608 1.00 0.00 C ATOM 118 NE ARG A 127 12.734 3.208 -3.531 1.00 0.00 N ATOM 119 CZ ARG A 127 11.873 3.224 -4.545 1.00 0.00 C ATOM 120 NH1 ARG A 127 12.202 2.682 -5.710 1.00 0.00 N ATOM 121 NH2 ARG A 127 10.679 3.782 -4.394 1.00 0.00 N ATOM 0 HA ARG A 127 13.384 5.146 -2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 127 15.795 4.603 -2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 127 15.947 4.293 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.754 2.170 -2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.263 2.441 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 127 14.615 3.057 -4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 127 13.970 1.545 -3.827 1.00 0.00 H new ATOM 0 HE ARG A 127 12.449 3.638 -2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 127 13.118 2.251 -5.831 1.00 0.00 H new ATOM 0 HH12 ARG A 127 11.539 2.697 -6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 127 10.420 4.199 -3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.020 3.794 -5.172 1.00 0.00 H new ATOM 135 N VAL A 128 13.911 4.984 0.598 1.00 0.00 N ATOM 136 CA VAL A 128 13.301 4.590 1.865 1.00 0.00 C ATOM 137 C VAL A 128 11.970 5.301 2.091 1.00 0.00 C ATOM 138 O VAL A 128 10.952 4.665 2.365 1.00 0.00 O ATOM 139 CB VAL A 128 14.239 4.891 3.051 1.00 0.00 C ATOM 140 CG1 VAL A 128 13.584 4.504 4.370 1.00 0.00 C ATOM 141 CG2 VAL A 128 15.567 4.172 2.877 1.00 0.00 C ATOM 0 H VAL A 128 14.804 5.467 0.693 1.00 0.00 H new ATOM 0 HA VAL A 128 13.124 3.516 1.808 1.00 0.00 H new ATOM 0 HB VAL A 128 14.431 5.964 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 128 14.264 4.725 5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.662 5.071 4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 128 13.356 3.438 4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 128 16.216 4.396 3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.395 3.097 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.044 4.506 1.956 1.00 0.00 H new ATOM 151 N ALA A 129 11.991 6.625 1.981 1.00 0.00 N ATOM 152 CA ALA A 129 10.795 7.434 2.178 1.00 0.00 C ATOM 153 C ALA A 129 9.703 7.070 1.178 1.00 0.00 C ATOM 154 O ALA A 129 8.523 7.040 1.521 1.00 0.00 O ATOM 155 CB ALA A 129 11.140 8.912 2.073 1.00 0.00 C ATOM 0 H ALA A 129 12.828 7.162 1.755 1.00 0.00 H new ATOM 0 HA ALA A 129 10.410 7.228 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.239 9.507 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 129 11.875 9.169 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 129 11.553 9.120 1.086 1.00 0.00 H new ATOM 161 N GLY A 130 10.104 6.797 -0.059 1.00 0.00 N ATOM 162 CA GLY A 130 9.144 6.442 -1.090 1.00 0.00 C ATOM 163 C GLY A 130 8.360 5.189 -0.749 1.00 0.00 C ATOM 164 O GLY A 130 7.143 5.143 -0.925 1.00 0.00 O ATOM 0 H GLY A 130 11.076 6.815 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.452 7.271 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.668 6.293 -2.034 1.00 0.00 H new ATOM 168 N LEU A 131 9.056 4.171 -0.263 1.00 0.00 N ATOM 169 CA LEU A 131 8.415 2.914 0.101 1.00 0.00 C ATOM 170 C LEU A 131 7.504 3.093 1.316 1.00 0.00 C ATOM 171 O LEU A 131 6.404 2.540 1.368 1.00 0.00 O ATOM 172 CB LEU A 131 9.474 1.847 0.386 1.00 0.00 C ATOM 173 CG LEU A 131 10.377 1.500 -0.802 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.458 0.516 -0.384 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.556 0.930 -1.950 1.00 0.00 C ATOM 0 H LEU A 131 10.064 4.190 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 131 7.799 2.590 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.099 2.188 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.973 0.939 0.720 1.00 0.00 H new ATOM 0 HG LEU A 131 10.858 2.416 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.089 0.282 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 131 12.067 0.958 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.994 -0.399 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.215 0.690 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.046 0.026 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 131 8.819 1.666 -2.270 1.00 0.00 H new ATOM 187 N GLU A 132 7.971 3.866 2.291 1.00 0.00 N ATOM 188 CA GLU A 132 7.204 4.116 3.509 1.00 0.00 C ATOM 189 C GLU A 132 5.911 4.875 3.212 1.00 0.00 C ATOM 190 O GLU A 132 4.834 4.481 3.666 1.00 0.00 O ATOM 191 CB GLU A 132 8.048 4.896 4.518 1.00 0.00 C ATOM 192 CG GLU A 132 9.294 4.154 4.972 1.00 0.00 C ATOM 193 CD GLU A 132 10.101 4.932 5.995 1.00 0.00 C ATOM 194 OE1 GLU A 132 9.693 6.060 6.340 1.00 0.00 O ATOM 195 OE2 GLU A 132 11.141 4.412 6.450 1.00 0.00 O ATOM 0 H GLU A 132 8.878 4.331 2.262 1.00 0.00 H new ATOM 0 HA GLU A 132 6.937 3.149 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.343 5.847 4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.435 5.127 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.004 3.194 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.921 3.942 4.106 1.00 0.00 H new ATOM 202 N LYS A 133 6.019 5.963 2.451 1.00 0.00 N ATOM 203 CA LYS A 133 4.851 6.766 2.106 1.00 0.00 C ATOM 204 C LYS A 133 3.801 5.912 1.404 1.00 0.00 C ATOM 205 O LYS A 133 2.604 6.054 1.654 1.00 0.00 O ATOM 206 CB LYS A 133 5.245 7.958 1.228 1.00 0.00 C ATOM 207 CG LYS A 133 5.871 7.569 -0.100 1.00 0.00 C ATOM 208 CD LYS A 133 6.220 8.791 -0.940 1.00 0.00 C ATOM 209 CE LYS A 133 4.979 9.583 -1.322 1.00 0.00 C ATOM 210 NZ LYS A 133 5.313 10.778 -2.146 1.00 0.00 N ATOM 0 H LYS A 133 6.898 6.306 2.064 1.00 0.00 H new ATOM 0 HA LYS A 133 4.423 7.152 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.359 8.563 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 133 5.946 8.585 1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.772 6.983 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.182 6.932 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 133 6.904 9.432 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 133 6.742 8.475 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 133 4.295 8.940 -1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 133 4.458 9.900 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 4.440 11.290 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 5.946 11.404 -1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 5.787 10.475 -3.021 1.00 0.00 H new ATOM 224 N GLN A 134 4.258 5.013 0.535 1.00 0.00 N ATOM 225 CA GLN A 134 3.352 4.126 -0.186 1.00 0.00 C ATOM 226 C GLN A 134 2.524 3.298 0.790 1.00 0.00 C ATOM 227 O GLN A 134 1.310 3.176 0.638 1.00 0.00 O ATOM 228 CB GLN A 134 4.137 3.199 -1.118 1.00 0.00 C ATOM 229 CG GLN A 134 4.782 3.914 -2.293 1.00 0.00 C ATOM 230 CD GLN A 134 3.764 4.543 -3.224 1.00 0.00 C ATOM 231 OE1 GLN A 134 2.922 3.854 -3.799 1.00 0.00 O ATOM 232 NE2 GLN A 134 3.835 5.861 -3.375 1.00 0.00 N ATOM 0 H GLN A 134 5.245 4.881 0.315 1.00 0.00 H new ATOM 0 HA GLN A 134 2.680 4.741 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 134 4.912 2.693 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.466 2.428 -1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.453 4.687 -1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.393 3.206 -2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 134 4.550 6.393 -2.879 1.00 0.00 H new ATOM 0 HE22 GLN A 134 3.175 6.340 -3.987 1.00 0.00 H new ATOM 241 N LEU A 135 3.190 2.737 1.795 1.00 0.00 N ATOM 242 CA LEU A 135 2.518 1.923 2.798 1.00 0.00 C ATOM 243 C LEU A 135 1.367 2.685 3.441 1.00 0.00 C ATOM 244 O LEU A 135 0.275 2.145 3.621 1.00 0.00 O ATOM 245 CB LEU A 135 3.517 1.482 3.868 1.00 0.00 C ATOM 246 CG LEU A 135 4.675 0.618 3.360 1.00 0.00 C ATOM 247 CD1 LEU A 135 5.642 0.308 4.492 1.00 0.00 C ATOM 248 CD2 LEU A 135 4.151 -0.670 2.740 1.00 0.00 C ATOM 0 H LEU A 135 4.196 2.832 1.935 1.00 0.00 H new ATOM 0 HA LEU A 135 2.108 1.043 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 135 3.930 2.371 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 135 2.980 0.927 4.637 1.00 0.00 H new ATOM 0 HG LEU A 135 5.209 1.176 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 135 6.459 -0.307 4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.043 1.239 4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 135 5.118 -0.231 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.989 -1.270 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 135 3.593 -1.233 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 135 3.496 -0.430 1.902 1.00 0.00 H new ATOM 260 N ALA A 136 1.619 3.940 3.782 1.00 0.00 N ATOM 261 CA ALA A 136 0.605 4.783 4.407 1.00 0.00 C ATOM 262 C ALA A 136 -0.584 5.006 3.475 1.00 0.00 C ATOM 263 O ALA A 136 -1.736 4.951 3.904 1.00 0.00 O ATOM 264 CB ALA A 136 1.208 6.117 4.821 1.00 0.00 C ATOM 0 H ALA A 136 2.518 4.400 3.637 1.00 0.00 H new ATOM 0 HA ALA A 136 0.242 4.267 5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.440 6.735 5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.016 5.946 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.601 6.627 3.942 1.00 0.00 H new ATOM 270 N ILE A 137 -0.295 5.263 2.202 1.00 0.00 N ATOM 271 CA ILE A 137 -1.343 5.501 1.213 1.00 0.00 C ATOM 272 C ILE A 137 -2.276 4.299 1.093 1.00 0.00 C ATOM 273 O ILE A 137 -3.497 4.446 1.127 1.00 0.00 O ATOM 274 CB ILE A 137 -0.747 5.813 -0.174 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.172 7.036 -0.091 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.858 6.044 -1.188 1.00 0.00 C ATOM 277 CD1 ILE A 137 0.854 7.376 -1.400 1.00 0.00 C ATOM 0 H ILE A 137 0.654 5.312 1.831 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.911 6.364 1.560 1.00 0.00 H new ATOM 0 HB ILE A 137 -0.156 4.958 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.411 7.896 0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 137 0.933 6.857 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.421 6.263 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.476 5.149 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.473 6.885 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.488 8.252 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.465 6.533 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.100 7.588 -2.159 1.00 0.00 H new ATOM 289 N GLU A 138 -1.692 3.113 0.953 1.00 0.00 N ATOM 290 CA GLU A 138 -2.469 1.886 0.828 1.00 0.00 C ATOM 291 C GLU A 138 -3.428 1.705 1.998 1.00 0.00 C ATOM 292 O GLU A 138 -4.594 1.364 1.803 1.00 0.00 O ATOM 293 CB GLU A 138 -1.529 0.686 0.731 1.00 0.00 C ATOM 294 CG GLU A 138 -1.222 0.269 -0.697 1.00 0.00 C ATOM 295 CD GLU A 138 -0.833 1.431 -1.589 1.00 0.00 C ATOM 296 OE1 GLU A 138 0.213 2.058 -1.327 1.00 0.00 O ATOM 297 OE2 GLU A 138 -1.579 1.717 -2.549 1.00 0.00 O ATOM 0 H GLU A 138 -0.682 2.976 0.923 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.066 1.958 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -0.595 0.924 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -1.974 -0.157 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -0.413 -0.461 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -2.096 -0.228 -1.119 1.00 0.00 H new ATOM 304 N LEU A 139 -2.935 1.929 3.209 1.00 0.00 N ATOM 305 CA LEU A 139 -3.758 1.783 4.403 1.00 0.00 C ATOM 306 C LEU A 139 -4.921 2.768 4.389 1.00 0.00 C ATOM 307 O LEU A 139 -6.031 2.433 4.798 1.00 0.00 O ATOM 308 CB LEU A 139 -2.912 1.974 5.662 1.00 0.00 C ATOM 309 CG LEU A 139 -1.689 1.061 5.756 1.00 0.00 C ATOM 310 CD1 LEU A 139 -0.995 1.232 7.097 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.085 -0.392 5.533 1.00 0.00 C ATOM 0 H LEU A 139 -1.972 2.212 3.391 1.00 0.00 H new ATOM 0 HA LEU A 139 -4.169 0.774 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.578 3.011 5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.542 1.805 6.535 1.00 0.00 H new ATOM 0 HG LEU A 139 -0.988 1.346 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.127 0.574 7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.672 2.267 7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.687 0.978 7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.201 -1.025 5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.808 -0.692 6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.530 -0.500 4.544 1.00 0.00 H new ATOM 323 N LYS A 140 -4.661 3.982 3.913 1.00 0.00 N ATOM 324 CA LYS A 140 -5.695 5.006 3.840 1.00 0.00 C ATOM 325 C LYS A 140 -6.810 4.572 2.894 1.00 0.00 C ATOM 326 O LYS A 140 -7.993 4.745 3.188 1.00 0.00 O ATOM 327 CB LYS A 140 -5.099 6.335 3.371 1.00 0.00 C ATOM 328 CG LYS A 140 -6.122 7.456 3.255 1.00 0.00 C ATOM 329 CD LYS A 140 -5.483 8.757 2.796 1.00 0.00 C ATOM 330 CE LYS A 140 -4.883 8.630 1.403 1.00 0.00 C ATOM 331 NZ LYS A 140 -4.251 9.900 0.954 1.00 0.00 N ATOM 0 H LYS A 140 -3.746 4.279 3.573 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.114 5.141 4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.317 6.639 4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.623 6.188 2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.902 7.165 2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.605 7.609 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -6.231 9.550 2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.705 9.049 3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -4.139 7.833 1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -5.662 8.342 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -3.854 9.772 0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -4.966 10.655 0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -3.491 10.161 1.613 1.00 0.00 H new ATOM 345 N VAL A 141 -6.419 4.005 1.756 1.00 0.00 N ATOM 346 CA VAL A 141 -7.377 3.539 0.760 1.00 0.00 C ATOM 347 C VAL A 141 -8.174 2.345 1.277 1.00 0.00 C ATOM 348 O VAL A 141 -9.397 2.298 1.142 1.00 0.00 O ATOM 349 CB VAL A 141 -6.670 3.144 -0.552 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.682 2.674 -1.587 1.00 0.00 C ATOM 351 CG2 VAL A 141 -5.851 4.307 -1.089 1.00 0.00 C ATOM 0 H VAL A 141 -5.443 3.857 1.501 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.059 4.366 0.564 1.00 0.00 H new ATOM 0 HB VAL A 141 -5.991 2.318 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.163 2.400 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.220 1.808 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.389 3.477 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.360 4.009 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.507 5.155 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.098 4.592 -0.354 1.00 0.00 H new ATOM 361 N LYS A 142 -7.472 1.381 1.866 1.00 0.00 N ATOM 362 CA LYS A 142 -8.111 0.184 2.402 1.00 0.00 C ATOM 363 C LYS A 142 -9.107 0.544 3.499 1.00 0.00 C ATOM 364 O LYS A 142 -10.253 0.096 3.482 1.00 0.00 O ATOM 365 CB LYS A 142 -7.054 -0.781 2.947 1.00 0.00 C ATOM 366 CG LYS A 142 -7.640 -1.992 3.660 1.00 0.00 C ATOM 367 CD LYS A 142 -6.558 -2.967 4.097 1.00 0.00 C ATOM 368 CE LYS A 142 -5.895 -3.637 2.905 1.00 0.00 C ATOM 369 NZ LYS A 142 -4.863 -4.626 3.325 1.00 0.00 N ATOM 0 H LYS A 142 -6.459 1.406 1.984 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.654 -0.304 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.428 -1.123 2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.405 -0.243 3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.206 -1.662 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.341 -2.500 2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.806 -2.438 4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -6.993 -3.726 4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -6.653 -4.137 2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -5.434 -2.878 2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -4.459 -5.085 2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -4.109 -4.139 3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -5.300 -5.346 3.935 1.00 0.00 H new ATOM 383 N GLN A 143 -8.663 1.360 4.449 1.00 0.00 N ATOM 384 CA GLN A 143 -9.519 1.784 5.551 1.00 0.00 C ATOM 385 C GLN A 143 -10.709 2.576 5.026 1.00 0.00 C ATOM 386 O GLN A 143 -11.844 2.372 5.458 1.00 0.00 O ATOM 387 CB GLN A 143 -8.725 2.628 6.550 1.00 0.00 C ATOM 388 CG GLN A 143 -9.537 3.061 7.759 1.00 0.00 C ATOM 389 CD GLN A 143 -8.737 3.914 8.723 1.00 0.00 C ATOM 390 OE1 GLN A 143 -7.710 3.483 9.247 1.00 0.00 O ATOM 391 NE2 GLN A 143 -9.207 5.133 8.963 1.00 0.00 N ATOM 0 H GLN A 143 -7.717 1.740 4.478 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.889 0.894 6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.860 2.058 6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.344 3.514 6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -10.411 3.620 7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -9.905 2.177 8.281 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -10.063 5.449 8.506 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.712 5.753 9.604 1.00 0.00 H new ATOM 400 N GLY A 144 -10.442 3.475 4.084 1.00 0.00 N ATOM 401 CA GLY A 144 -11.500 4.278 3.503 1.00 0.00 C ATOM 402 C GLY A 144 -12.557 3.423 2.839 1.00 0.00 C ATOM 403 O GLY A 144 -13.745 3.738 2.888 1.00 0.00 O ATOM 0 H GLY A 144 -9.510 3.661 3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -11.961 4.888 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.075 4.964 2.770 1.00 0.00 H new ATOM 407 N ALA A 145 -12.117 2.332 2.222 1.00 0.00 N ATOM 408 CA ALA A 145 -13.021 1.413 1.548 1.00 0.00 C ATOM 409 C ALA A 145 -13.900 0.691 2.558 1.00 0.00 C ATOM 410 O ALA A 145 -15.097 0.512 2.341 1.00 0.00 O ATOM 411 CB ALA A 145 -12.228 0.411 0.721 1.00 0.00 C ATOM 0 H ALA A 145 -11.134 2.063 2.176 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.666 1.985 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -12.914 -0.272 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.637 0.942 -0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.564 -0.155 1.374 1.00 0.00 H new ATOM 417 N GLU A 146 -13.290 0.281 3.665 1.00 0.00 N ATOM 418 CA GLU A 146 -14.008 -0.424 4.722 1.00 0.00 C ATOM 419 C GLU A 146 -15.136 0.434 5.282 1.00 0.00 C ATOM 420 O GLU A 146 -16.251 -0.047 5.484 1.00 0.00 O ATOM 421 CB GLU A 146 -13.047 -0.821 5.845 1.00 0.00 C ATOM 422 CG GLU A 146 -11.933 -1.748 5.391 1.00 0.00 C ATOM 423 CD GLU A 146 -10.998 -2.133 6.520 1.00 0.00 C ATOM 424 OE1 GLU A 146 -10.386 -1.226 7.121 1.00 0.00 O ATOM 425 OE2 GLU A 146 -10.878 -3.344 6.805 1.00 0.00 O ATOM 0 H GLU A 146 -12.298 0.425 3.854 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.443 -1.325 4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.607 0.081 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.612 -1.307 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -12.369 -2.650 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -11.361 -1.263 4.600 1.00 0.00 H new ATOM 432 N ASN A 147 -14.841 1.707 5.528 1.00 0.00 N ATOM 433 CA ASN A 147 -15.836 2.628 6.061 1.00 0.00 C ATOM 434 C ASN A 147 -17.002 2.776 5.091 1.00 0.00 C ATOM 435 O ASN A 147 -18.162 2.741 5.492 1.00 0.00 O ATOM 436 CB ASN A 147 -15.207 3.993 6.347 1.00 0.00 C ATOM 437 CG ASN A 147 -16.201 4.976 6.934 1.00 0.00 C ATOM 438 OD1 ASN A 147 -17.140 5.406 6.262 1.00 0.00 O ATOM 439 ND2 ASN A 147 -16.008 5.327 8.199 1.00 0.00 N ATOM 0 H ASN A 147 -13.923 2.122 5.367 1.00 0.00 H new ATOM 0 HA ASN A 147 -16.214 2.218 6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -14.373 3.868 7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -14.798 4.402 5.423 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -16.651 5.977 8.652 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -15.217 4.947 8.719 1.00 0.00 H new ATOM 446 N MET A 148 -16.684 2.935 3.811 1.00 0.00 N ATOM 447 CA MET A 148 -17.711 3.080 2.786 1.00 0.00 C ATOM 448 C MET A 148 -18.599 1.841 2.733 1.00 0.00 C ATOM 449 O MET A 148 -19.816 1.945 2.591 1.00 0.00 O ATOM 450 CB MET A 148 -17.069 3.329 1.420 1.00 0.00 C ATOM 451 CG MET A 148 -16.274 4.623 1.350 1.00 0.00 C ATOM 452 SD MET A 148 -15.543 4.905 -0.274 1.00 0.00 S ATOM 453 CE MET A 148 -17.011 5.002 -1.295 1.00 0.00 C ATOM 0 H MET A 148 -15.727 2.967 3.459 1.00 0.00 H new ATOM 0 HA MET A 148 -18.332 3.938 3.044 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.411 2.494 1.179 1.00 0.00 H new ATOM 0 HB3 MET A 148 -17.849 3.350 0.659 1.00 0.00 H new ATOM 0 HG2 MET A 148 -16.927 5.459 1.600 1.00 0.00 H new ATOM 0 HG3 MET A 148 -15.484 4.600 2.100 1.00 0.00 H new ATOM 0 HE1 MET A 148 -16.894 5.803 -2.025 1.00 0.00 H new ATOM 0 HE2 MET A 148 -17.156 4.055 -1.815 1.00 0.00 H new ATOM 0 HE3 MET A 148 -17.878 5.207 -0.667 1.00 0.00 H new ATOM 463 N ILE A 149 -17.983 0.669 2.855 1.00 0.00 N ATOM 464 CA ILE A 149 -18.719 -0.589 2.824 1.00 0.00 C ATOM 465 C ILE A 149 -19.728 -0.668 3.967 1.00 0.00 C ATOM 466 O ILE A 149 -20.904 -0.961 3.749 1.00 0.00 O ATOM 467 CB ILE A 149 -17.768 -1.799 2.909 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.859 -1.846 1.678 1.00 0.00 C ATOM 469 CG2 ILE A 149 -18.561 -3.093 3.043 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.817 -2.942 1.732 1.00 0.00 C ATOM 0 H ILE A 149 -16.976 0.565 2.976 1.00 0.00 H new ATOM 0 HA ILE A 149 -19.250 -0.619 1.873 1.00 0.00 H new ATOM 0 HB ILE A 149 -17.143 -1.690 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -17.474 -1.985 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -16.357 -0.884 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.873 -3.937 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -19.168 -3.056 3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -19.210 -3.214 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -15.211 -2.913 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -15.177 -2.793 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -16.311 -3.911 1.807 1.00 0.00 H new ATOM 482 N GLN A 150 -19.260 -0.410 5.185 1.00 0.00 N ATOM 483 CA GLN A 150 -20.128 -0.459 6.357 1.00 0.00 C ATOM 484 C GLN A 150 -21.170 0.655 6.304 1.00 0.00 C ATOM 485 O GLN A 150 -22.284 0.498 6.803 1.00 0.00 O ATOM 486 CB GLN A 150 -19.299 -0.388 7.648 1.00 0.00 C ATOM 487 CG GLN A 150 -18.621 0.949 7.898 1.00 0.00 C ATOM 488 CD GLN A 150 -19.548 1.968 8.528 1.00 0.00 C ATOM 489 OE1 GLN A 150 -20.121 1.729 9.591 1.00 0.00 O ATOM 490 NE2 GLN A 150 -19.695 3.113 7.879 1.00 0.00 N ATOM 0 H GLN A 150 -18.290 -0.166 5.385 1.00 0.00 H new ATOM 0 HA GLN A 150 -20.659 -1.411 6.354 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -19.949 -0.613 8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -18.536 -1.166 7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -17.759 0.798 8.548 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -18.244 1.342 6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -19.201 3.268 7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -20.303 3.839 8.258 1.00 0.00 H new ATOM 499 N THR A 151 -20.807 1.777 5.682 1.00 0.00 N ATOM 500 CA THR A 151 -21.722 2.909 5.552 1.00 0.00 C ATOM 501 C THR A 151 -22.924 2.535 4.690 1.00 0.00 C ATOM 502 O THR A 151 -24.072 2.747 5.082 1.00 0.00 O ATOM 503 CB THR A 151 -21.024 4.136 4.927 1.00 0.00 C ATOM 504 OG1 THR A 151 -19.962 4.587 5.774 1.00 0.00 O ATOM 505 CG2 THR A 151 -22.012 5.272 4.706 1.00 0.00 C ATOM 0 H THR A 151 -19.889 1.925 5.262 1.00 0.00 H new ATOM 0 HA THR A 151 -22.054 3.166 6.558 1.00 0.00 H new ATOM 0 HB THR A 151 -20.617 3.834 3.962 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.112 4.213 5.460 1.00 0.00 H new ATOM 0 HG21 THR A 151 -21.494 6.124 4.265 1.00 0.00 H new ATOM 0 HG22 THR A 151 -22.803 4.940 4.034 1.00 0.00 H new ATOM 0 HG23 THR A 151 -22.447 5.567 5.661 1.00 0.00 H new ATOM 513 N TYR A 152 -22.648 1.974 3.517 1.00 0.00 N ATOM 514 CA TYR A 152 -23.698 1.562 2.593 1.00 0.00 C ATOM 515 C TYR A 152 -24.556 0.460 3.203 1.00 0.00 C ATOM 516 O TYR A 152 -25.769 0.420 2.995 1.00 0.00 O ATOM 517 CB TYR A 152 -23.092 1.092 1.268 1.00 0.00 C ATOM 518 CG TYR A 152 -22.557 2.213 0.401 1.00 0.00 C ATOM 519 CD1 TYR A 152 -21.873 3.292 0.953 1.00 0.00 C ATOM 520 CD2 TYR A 152 -22.736 2.190 -0.976 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.386 4.311 0.158 1.00 0.00 C ATOM 522 CE2 TYR A 152 -22.252 3.205 -1.778 1.00 0.00 C ATOM 523 CZ TYR A 152 -21.578 4.264 -1.207 1.00 0.00 C ATOM 524 OH TYR A 152 -21.096 5.277 -2.002 1.00 0.00 O ATOM 0 H TYR A 152 -21.701 1.794 3.183 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.336 2.424 2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -22.283 0.392 1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.850 0.544 0.708 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -21.720 3.333 2.021 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -23.263 1.363 -1.428 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -20.857 5.141 0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -22.401 3.169 -2.847 1.00 0.00 H new ATOM 0 HH TYR A 152 -20.584 4.894 -2.745 1.00 0.00 H new ATOM 649 N LYS A 161 -24.318 -0.468 -7.474 1.00 0.00 N ATOM 650 CA LYS A 161 -23.254 -0.080 -8.395 1.00 0.00 C ATOM 651 C LYS A 161 -22.063 0.505 -7.639 1.00 0.00 C ATOM 652 O LYS A 161 -20.917 0.124 -7.878 1.00 0.00 O ATOM 653 CB LYS A 161 -23.780 0.928 -9.423 1.00 0.00 C ATOM 654 CG LYS A 161 -24.364 2.190 -8.805 1.00 0.00 C ATOM 655 CD LYS A 161 -24.918 3.131 -9.865 1.00 0.00 C ATOM 656 CE LYS A 161 -26.084 2.504 -10.616 1.00 0.00 C ATOM 657 NZ LYS A 161 -27.211 2.162 -9.704 1.00 0.00 N ATOM 0 HA LYS A 161 -22.917 -0.974 -8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -22.967 1.206 -10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -24.545 0.446 -10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -25.157 1.920 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -23.594 2.703 -8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -25.244 4.059 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -24.128 3.392 -10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -26.435 3.194 -11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -25.744 1.603 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -28.068 1.979 -10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -26.968 1.312 -9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -27.385 2.955 -9.054 1.00 0.00 H new ATOM 671 N LEU A 162 -22.342 1.426 -6.724 1.00 0.00 N ATOM 672 CA LEU A 162 -21.295 2.056 -5.929 1.00 0.00 C ATOM 673 C LEU A 162 -20.712 1.070 -4.921 1.00 0.00 C ATOM 674 O LEU A 162 -19.516 1.095 -4.635 1.00 0.00 O ATOM 675 CB LEU A 162 -21.842 3.289 -5.207 1.00 0.00 C ATOM 676 CG LEU A 162 -22.305 4.427 -6.120 1.00 0.00 C ATOM 677 CD1 LEU A 162 -22.894 5.561 -5.296 1.00 0.00 C ATOM 678 CD2 LEU A 162 -21.152 4.935 -6.972 1.00 0.00 C ATOM 0 H LEU A 162 -23.285 1.753 -6.514 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.498 2.369 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -22.681 2.982 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -21.070 3.672 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 162 -23.078 4.041 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -23.219 6.362 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -23.748 5.192 -4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -22.138 5.942 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -21.502 5.743 -7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -20.356 5.304 -6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -20.770 4.122 -7.589 1.00 0.00 H new ATOM 690 N LEU A 163 -21.570 0.205 -4.383 1.00 0.00 N ATOM 691 CA LEU A 163 -21.146 -0.791 -3.403 1.00 0.00 C ATOM 692 C LEU A 163 -20.034 -1.674 -3.963 1.00 0.00 C ATOM 693 O LEU A 163 -18.991 -1.846 -3.331 1.00 0.00 O ATOM 694 CB LEU A 163 -22.334 -1.658 -2.977 1.00 0.00 C ATOM 695 CG LEU A 163 -22.007 -2.781 -2.000 1.00 0.00 C ATOM 696 CD1 LEU A 163 -21.561 -2.195 -0.681 1.00 0.00 C ATOM 697 CD2 LEU A 163 -23.209 -3.692 -1.805 1.00 0.00 C ATOM 0 H LEU A 163 -22.564 0.175 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.759 -0.261 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -23.088 -1.014 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.782 -2.095 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 163 -21.196 -3.382 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -21.328 -3.001 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -20.673 -1.582 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -22.360 -1.579 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -22.953 -4.487 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -24.044 -3.113 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.493 -4.130 -2.762 1.00 0.00 H new ATOM 709 N LEU A 164 -20.262 -2.230 -5.149 1.00 0.00 N ATOM 710 CA LEU A 164 -19.274 -3.094 -5.786 1.00 0.00 C ATOM 711 C LEU A 164 -18.020 -2.306 -6.133 1.00 0.00 C ATOM 712 O LEU A 164 -16.903 -2.805 -6.000 1.00 0.00 O ATOM 713 CB LEU A 164 -19.866 -3.754 -7.038 1.00 0.00 C ATOM 714 CG LEU A 164 -20.193 -2.821 -8.209 1.00 0.00 C ATOM 715 CD1 LEU A 164 -18.952 -2.527 -9.042 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.282 -3.431 -9.076 1.00 0.00 C ATOM 0 H LEU A 164 -21.119 -2.098 -5.687 1.00 0.00 H new ATOM 0 HA LEU A 164 -18.998 -3.880 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -19.165 -4.511 -7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -20.779 -4.275 -6.750 1.00 0.00 H new ATOM 0 HG LEU A 164 -20.553 -1.877 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -19.215 -1.863 -9.865 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -18.199 -2.048 -8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -18.553 -3.459 -9.442 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -21.506 -2.759 -9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -20.941 -4.389 -9.468 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -22.181 -3.582 -8.478 1.00 0.00 H new ATOM 728 N THR A 165 -18.216 -1.070 -6.576 1.00 0.00 N ATOM 729 CA THR A 165 -17.103 -0.201 -6.942 1.00 0.00 C ATOM 730 C THR A 165 -16.128 -0.065 -5.778 1.00 0.00 C ATOM 731 O THR A 165 -14.914 -0.166 -5.958 1.00 0.00 O ATOM 732 CB THR A 165 -17.591 1.198 -7.362 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.480 1.089 -8.481 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.418 2.095 -7.730 1.00 0.00 C ATOM 0 H THR A 165 -19.137 -0.646 -6.691 1.00 0.00 H new ATOM 0 HA THR A 165 -16.599 -0.661 -7.792 1.00 0.00 H new ATOM 0 HB THR A 165 -18.117 1.643 -6.518 1.00 0.00 H new ATOM 0 HG1 THR A 165 -19.395 0.948 -8.159 1.00 0.00 H new ATOM 0 HG21 THR A 165 -16.789 3.077 -8.023 1.00 0.00 H new ATOM 0 HG22 THR A 165 -15.756 2.199 -6.871 1.00 0.00 H new ATOM 0 HG23 THR A 165 -15.868 1.652 -8.560 1.00 0.00 H new ATOM 742 N ALA A 166 -16.671 0.152 -4.584 1.00 0.00 N ATOM 743 CA ALA A 166 -15.851 0.285 -3.387 1.00 0.00 C ATOM 744 C ALA A 166 -15.110 -1.016 -3.106 1.00 0.00 C ATOM 745 O ALA A 166 -13.935 -1.006 -2.738 1.00 0.00 O ATOM 746 CB ALA A 166 -16.712 0.678 -2.195 1.00 0.00 C ATOM 0 H ALA A 166 -17.674 0.239 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.116 1.072 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -16.085 0.773 -1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.201 1.631 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.468 -0.088 -2.024 1.00 0.00 H new ATOM 752 N GLN A 167 -15.806 -2.134 -3.295 1.00 0.00 N ATOM 753 CA GLN A 167 -15.218 -3.449 -3.078 1.00 0.00 C ATOM 754 C GLN A 167 -14.007 -3.632 -3.983 1.00 0.00 C ATOM 755 O GLN A 167 -12.974 -4.154 -3.564 1.00 0.00 O ATOM 756 CB GLN A 167 -16.247 -4.550 -3.351 1.00 0.00 C ATOM 757 CG GLN A 167 -17.485 -4.460 -2.473 1.00 0.00 C ATOM 758 CD GLN A 167 -18.458 -5.597 -2.718 1.00 0.00 C ATOM 759 OE1 GLN A 167 -18.950 -5.780 -3.832 1.00 0.00 O ATOM 760 NE2 GLN A 167 -18.740 -6.370 -1.675 1.00 0.00 N ATOM 0 H GLN A 167 -16.780 -2.153 -3.599 1.00 0.00 H new ATOM 0 HA GLN A 167 -14.901 -3.521 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.550 -4.501 -4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -15.776 -5.521 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -17.184 -4.464 -1.425 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -17.988 -3.511 -2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -18.309 -6.182 -0.770 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -19.387 -7.151 -1.780 1.00 0.00 H new ATOM 769 N GLN A 168 -14.144 -3.184 -5.228 1.00 0.00 N ATOM 770 CA GLN A 168 -13.065 -3.277 -6.202 1.00 0.00 C ATOM 771 C GLN A 168 -11.854 -2.496 -5.712 1.00 0.00 C ATOM 772 O GLN A 168 -10.715 -2.949 -5.836 1.00 0.00 O ATOM 773 CB GLN A 168 -13.528 -2.742 -7.558 1.00 0.00 C ATOM 774 CG GLN A 168 -12.480 -2.861 -8.653 1.00 0.00 C ATOM 775 CD GLN A 168 -12.077 -4.298 -8.920 1.00 0.00 C ATOM 776 OE1 GLN A 168 -12.910 -5.134 -9.268 1.00 0.00 O ATOM 777 NE2 GLN A 168 -10.792 -4.592 -8.757 1.00 0.00 N ATOM 0 H GLN A 168 -14.996 -2.752 -5.585 1.00 0.00 H new ATOM 0 HA GLN A 168 -12.785 -4.324 -6.320 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.424 -3.282 -7.865 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -13.809 -1.694 -7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -12.867 -2.420 -9.571 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -11.598 -2.287 -8.371 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -10.136 -3.867 -8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -10.461 -5.543 -8.922 1.00 0.00 H new ATOM 786 N MET A 169 -12.112 -1.322 -5.142 1.00 0.00 N ATOM 787 CA MET A 169 -11.049 -0.476 -4.615 1.00 0.00 C ATOM 788 C MET A 169 -10.274 -1.209 -3.529 1.00 0.00 C ATOM 789 O MET A 169 -9.044 -1.221 -3.528 1.00 0.00 O ATOM 790 CB MET A 169 -11.630 0.815 -4.042 1.00 0.00 C ATOM 791 CG MET A 169 -12.233 1.738 -5.086 1.00 0.00 C ATOM 792 SD MET A 169 -12.934 3.231 -4.355 1.00 0.00 S ATOM 793 CE MET A 169 -11.549 3.797 -3.371 1.00 0.00 C ATOM 0 H MET A 169 -13.050 -0.936 -5.034 1.00 0.00 H new ATOM 0 HA MET A 169 -10.372 -0.232 -5.434 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.396 0.562 -3.309 1.00 0.00 H new ATOM 0 HB3 MET A 169 -10.844 1.350 -3.510 1.00 0.00 H new ATOM 0 HG2 MET A 169 -11.466 2.016 -5.809 1.00 0.00 H new ATOM 0 HG3 MET A 169 -13.010 1.205 -5.634 1.00 0.00 H new ATOM 0 HE1 MET A 169 -11.626 4.874 -3.220 1.00 0.00 H new ATOM 0 HE2 MET A 169 -11.559 3.293 -2.404 1.00 0.00 H new ATOM 0 HE3 MET A 169 -10.617 3.569 -3.889 1.00 0.00 H new ATOM 803 N LEU A 170 -11.010 -1.817 -2.605 1.00 0.00 N ATOM 804 CA LEU A 170 -10.403 -2.556 -1.504 1.00 0.00 C ATOM 805 C LEU A 170 -9.481 -3.653 -2.029 1.00 0.00 C ATOM 806 O LEU A 170 -8.373 -3.836 -1.529 1.00 0.00 O ATOM 807 CB LEU A 170 -11.487 -3.167 -0.614 1.00 0.00 C ATOM 808 CG LEU A 170 -10.972 -3.944 0.600 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.215 -3.023 1.544 1.00 0.00 C ATOM 810 CD2 LEU A 170 -12.123 -4.623 1.324 1.00 0.00 C ATOM 0 H LEU A 170 -12.030 -1.812 -2.597 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.809 -1.858 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.140 -2.368 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.098 -3.835 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 170 -10.284 -4.713 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -9.857 -3.594 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -9.366 -2.584 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -10.879 -2.230 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -11.739 -5.171 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -12.835 -3.870 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -12.621 -5.316 0.646 1.00 0.00 H new ATOM 822 N GLN A 171 -9.949 -4.383 -3.036 1.00 0.00 N ATOM 823 CA GLN A 171 -9.168 -5.465 -3.625 1.00 0.00 C ATOM 824 C GLN A 171 -7.869 -4.938 -4.231 1.00 0.00 C ATOM 825 O GLN A 171 -6.808 -5.541 -4.068 1.00 0.00 O ATOM 826 CB GLN A 171 -9.988 -6.192 -4.694 1.00 0.00 C ATOM 827 CG GLN A 171 -9.250 -7.349 -5.348 1.00 0.00 C ATOM 828 CD GLN A 171 -10.085 -8.083 -6.384 1.00 0.00 C ATOM 829 OE1 GLN A 171 -9.614 -9.029 -7.015 1.00 0.00 O ATOM 830 NE2 GLN A 171 -11.333 -7.657 -6.567 1.00 0.00 N ATOM 0 H GLN A 171 -10.866 -4.245 -3.462 1.00 0.00 H new ATOM 0 HA GLN A 171 -8.915 -6.168 -2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -10.906 -6.567 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -10.280 -5.478 -5.464 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -8.344 -6.972 -5.822 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -8.937 -8.054 -4.578 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -11.688 -6.869 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -11.934 -8.118 -7.250 1.00 0.00 H new ATOM 839 N ASP A 172 -7.962 -3.814 -4.933 1.00 0.00 N ATOM 840 CA ASP A 172 -6.798 -3.207 -5.569 1.00 0.00 C ATOM 841 C ASP A 172 -5.763 -2.768 -4.535 1.00 0.00 C ATOM 842 O ASP A 172 -4.565 -2.984 -4.715 1.00 0.00 O ATOM 843 CB ASP A 172 -7.226 -2.008 -6.418 1.00 0.00 C ATOM 844 CG ASP A 172 -6.056 -1.348 -7.121 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.379 -2.032 -7.917 1.00 0.00 O ATOM 846 OD2 ASP A 172 -5.818 -0.147 -6.875 1.00 0.00 O ATOM 0 H ASP A 172 -8.833 -3.304 -5.076 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.338 -3.959 -6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -7.955 -2.334 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -7.724 -1.276 -5.782 1.00 0.00 H new ATOM 851 N SER A 173 -6.233 -2.143 -3.459 1.00 0.00 N ATOM 852 CA SER A 173 -5.347 -1.664 -2.402 1.00 0.00 C ATOM 853 C SER A 173 -4.597 -2.816 -1.738 1.00 0.00 C ATOM 854 O SER A 173 -3.388 -2.731 -1.516 1.00 0.00 O ATOM 855 CB SER A 173 -6.144 -0.885 -1.353 1.00 0.00 C ATOM 856 OG SER A 173 -7.107 -1.711 -0.722 1.00 0.00 O ATOM 0 H SER A 173 -7.222 -1.956 -3.296 1.00 0.00 H new ATOM 0 HA SER A 173 -4.612 -1.002 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 173 -5.464 -0.478 -0.605 1.00 0.00 H new ATOM 0 HB3 SER A 173 -6.641 -0.038 -1.826 1.00 0.00 H new ATOM 0 HG SER A 173 -7.476 -2.342 -1.375 1.00 0.00 H new ATOM 862 N LYS A 174 -5.316 -3.890 -1.419 1.00 0.00 N ATOM 863 CA LYS A 174 -4.711 -5.054 -0.776 1.00 0.00 C ATOM 864 C LYS A 174 -3.576 -5.618 -1.622 1.00 0.00 C ATOM 865 O LYS A 174 -2.480 -5.866 -1.121 1.00 0.00 O ATOM 866 CB LYS A 174 -5.757 -6.142 -0.546 1.00 0.00 C ATOM 867 CG LYS A 174 -6.894 -5.720 0.366 1.00 0.00 C ATOM 868 CD LYS A 174 -7.873 -6.859 0.606 1.00 0.00 C ATOM 869 CE LYS A 174 -8.713 -7.165 -0.628 1.00 0.00 C ATOM 870 NZ LYS A 174 -7.895 -7.715 -1.744 1.00 0.00 N ATOM 0 H LYS A 174 -6.317 -3.978 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.308 -4.729 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -6.170 -6.445 -1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -5.268 -7.018 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -6.489 -5.381 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -7.421 -4.874 -0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -7.323 -7.753 0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -8.530 -6.602 1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -9.494 -7.879 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -9.212 -6.255 -0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -8.464 -8.392 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -7.589 -6.939 -2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -7.059 -8.198 -1.357 1.00 0.00 H new ATOM 884 N THR A 175 -3.856 -5.826 -2.902 1.00 0.00 N ATOM 885 CA THR A 175 -2.867 -6.369 -3.826 1.00 0.00 C ATOM 886 C THR A 175 -1.597 -5.523 -3.838 1.00 0.00 C ATOM 887 O THR A 175 -0.487 -6.056 -3.827 1.00 0.00 O ATOM 888 CB THR A 175 -3.425 -6.460 -5.259 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.613 -7.261 -5.273 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.396 -7.060 -6.206 1.00 0.00 C ATOM 0 H THR A 175 -4.762 -5.626 -3.326 1.00 0.00 H new ATOM 0 HA THR A 175 -2.626 -7.372 -3.474 1.00 0.00 H new ATOM 0 HB THR A 175 -3.661 -5.451 -5.596 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.360 -6.744 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 175 -2.814 -7.114 -7.211 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.503 -6.434 -6.217 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.132 -8.062 -5.869 1.00 0.00 H new ATOM 898 N LYS A 176 -1.764 -4.205 -3.858 1.00 0.00 N ATOM 899 CA LYS A 176 -0.625 -3.292 -3.868 1.00 0.00 C ATOM 900 C LYS A 176 0.218 -3.453 -2.607 1.00 0.00 C ATOM 901 O LYS A 176 1.446 -3.430 -2.668 1.00 0.00 O ATOM 902 CB LYS A 176 -1.093 -1.843 -4.004 1.00 0.00 C ATOM 903 CG LYS A 176 -1.741 -1.534 -5.345 1.00 0.00 C ATOM 904 CD LYS A 176 -2.118 -0.065 -5.452 1.00 0.00 C ATOM 905 CE LYS A 176 -2.692 0.265 -6.821 1.00 0.00 C ATOM 906 NZ LYS A 176 -1.721 -0.020 -7.915 1.00 0.00 N ATOM 0 H LYS A 176 -2.674 -3.745 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.007 -3.543 -4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.804 -1.624 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.240 -1.180 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -1.055 -1.795 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.631 -2.150 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -2.848 0.181 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -1.239 0.552 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -3.601 -0.314 -6.983 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -2.975 1.317 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -2.029 0.458 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -0.780 0.328 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -1.676 -1.046 -8.081 1.00 0.00 H new ATOM 920 N ILE A 177 -0.449 -3.611 -1.467 1.00 0.00 N ATOM 921 CA ILE A 177 0.246 -3.772 -0.193 1.00 0.00 C ATOM 922 C ILE A 177 1.174 -4.982 -0.225 1.00 0.00 C ATOM 923 O ILE A 177 2.292 -4.932 0.287 1.00 0.00 O ATOM 924 CB ILE A 177 -0.744 -3.927 0.979 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.644 -2.693 1.079 1.00 0.00 C ATOM 926 CG2 ILE A 177 0.010 -4.149 2.285 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.659 -2.765 2.198 1.00 0.00 C ATOM 0 H ILE A 177 -1.467 -3.631 -1.399 1.00 0.00 H new ATOM 0 HA ILE A 177 0.834 -2.867 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.372 -4.798 0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.020 -1.811 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.169 -2.561 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -0.703 -4.257 3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.613 -5.054 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.660 -3.296 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.259 -1.855 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.309 -3.627 2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -2.142 -2.865 3.152 1.00 0.00 H new ATOM 939 N ASP A 178 0.701 -6.070 -0.824 1.00 0.00 N ATOM 940 CA ASP A 178 1.489 -7.294 -0.918 1.00 0.00 C ATOM 941 C ASP A 178 2.736 -7.083 -1.773 1.00 0.00 C ATOM 942 O ASP A 178 3.835 -7.493 -1.396 1.00 0.00 O ATOM 943 CB ASP A 178 0.642 -8.427 -1.500 1.00 0.00 C ATOM 944 CG ASP A 178 1.409 -9.730 -1.598 1.00 0.00 C ATOM 945 OD1 ASP A 178 1.874 -10.225 -0.550 1.00 0.00 O ATOM 946 OD2 ASP A 178 1.546 -10.255 -2.723 1.00 0.00 O ATOM 0 H ASP A 178 -0.223 -6.129 -1.251 1.00 0.00 H new ATOM 0 HA ASP A 178 1.807 -7.566 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 178 -0.240 -8.574 -0.877 1.00 0.00 H new ATOM 0 HB3 ASP A 178 0.289 -8.141 -2.491 1.00 0.00 H new ATOM 951 N ILE A 179 2.559 -6.444 -2.927 1.00 0.00 N ATOM 952 CA ILE A 179 3.671 -6.183 -3.835 1.00 0.00 C ATOM 953 C ILE A 179 4.708 -5.272 -3.185 1.00 0.00 C ATOM 954 O ILE A 179 5.908 -5.516 -3.285 1.00 0.00 O ATOM 955 CB ILE A 179 3.187 -5.545 -5.154 1.00 0.00 C ATOM 956 CG1 ILE A 179 2.150 -6.445 -5.837 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.364 -5.283 -6.083 1.00 0.00 C ATOM 958 CD1 ILE A 179 2.666 -7.828 -6.180 1.00 0.00 C ATOM 0 H ILE A 179 1.657 -6.098 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 179 4.130 -7.146 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 179 2.714 -4.591 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 179 1.283 -6.543 -5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 179 1.808 -5.959 -6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 179 4.004 -4.833 -7.008 1.00 0.00 H new ATOM 0 HG22 ILE A 179 5.066 -4.604 -5.598 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.866 -6.224 -6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.874 -8.403 -6.660 1.00 0.00 H new ATOM 0 HD12 ILE A 179 3.514 -7.742 -6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 179 2.981 -8.335 -5.268 1.00 0.00 H new ATOM 970 N ILE A 180 4.244 -4.226 -2.515 1.00 0.00 N ATOM 971 CA ILE A 180 5.145 -3.295 -1.848 1.00 0.00 C ATOM 972 C ILE A 180 5.879 -3.988 -0.706 1.00 0.00 C ATOM 973 O ILE A 180 7.072 -3.773 -0.499 1.00 0.00 O ATOM 974 CB ILE A 180 4.392 -2.066 -1.297 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.721 -1.300 -2.442 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.345 -1.159 -0.529 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.915 -0.102 -1.985 1.00 0.00 C ATOM 0 H ILE A 180 3.254 -4.001 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 180 5.863 -2.954 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 180 3.618 -2.408 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.487 -0.965 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 180 3.067 -1.980 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.798 -0.297 -0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.780 -1.711 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 180 6.139 -0.819 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.471 0.389 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 180 2.125 -0.431 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.568 0.599 -1.466 1.00 0.00 H new ATOM 989 N ARG A 181 5.152 -4.822 0.031 1.00 0.00 N ATOM 990 CA ARG A 181 5.718 -5.553 1.158 1.00 0.00 C ATOM 991 C ARG A 181 6.985 -6.304 0.755 1.00 0.00 C ATOM 992 O ARG A 181 8.029 -6.172 1.400 1.00 0.00 O ATOM 993 CB ARG A 181 4.686 -6.538 1.711 1.00 0.00 C ATOM 994 CG ARG A 181 5.188 -7.355 2.889 1.00 0.00 C ATOM 995 CD ARG A 181 4.147 -8.363 3.347 1.00 0.00 C ATOM 996 NE ARG A 181 4.623 -9.170 4.466 1.00 0.00 N ATOM 997 CZ ARG A 181 3.902 -10.125 5.044 1.00 0.00 C ATOM 998 NH1 ARG A 181 2.672 -10.383 4.619 1.00 0.00 N ATOM 999 NH2 ARG A 181 4.409 -10.820 6.053 1.00 0.00 N ATOM 0 H ARG A 181 4.163 -5.009 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 181 5.984 -4.830 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.797 -5.985 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.381 -7.216 0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 181 6.103 -7.876 2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 181 5.440 -6.689 3.714 1.00 0.00 H new ATOM 0 HD2 ARG A 181 3.238 -7.838 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.884 -9.016 2.515 1.00 0.00 H new ATOM 0 HE ARG A 181 5.561 -8.991 4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 181 2.277 -9.848 3.846 1.00 0.00 H new ATOM 0 HH12 ARG A 181 2.122 -11.117 5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 181 5.353 -10.622 6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 181 3.855 -11.553 6.497 1.00 0.00 H new ATOM 1013 N MET A 182 6.892 -7.093 -0.311 1.00 0.00 N ATOM 1014 CA MET A 182 8.038 -7.859 -0.785 1.00 0.00 C ATOM 1015 C MET A 182 9.165 -6.930 -1.224 1.00 0.00 C ATOM 1016 O MET A 182 10.337 -7.199 -0.960 1.00 0.00 O ATOM 1017 CB MET A 182 7.632 -8.797 -1.927 1.00 0.00 C ATOM 1018 CG MET A 182 7.136 -8.081 -3.170 1.00 0.00 C ATOM 1019 SD MET A 182 6.595 -9.224 -4.455 1.00 0.00 S ATOM 1020 CE MET A 182 5.313 -10.125 -3.586 1.00 0.00 C ATOM 0 H MET A 182 6.041 -7.218 -0.859 1.00 0.00 H new ATOM 0 HA MET A 182 8.402 -8.469 0.041 1.00 0.00 H new ATOM 0 HB2 MET A 182 8.487 -9.417 -2.195 1.00 0.00 H new ATOM 0 HB3 MET A 182 6.850 -9.468 -1.571 1.00 0.00 H new ATOM 0 HG2 MET A 182 6.309 -7.424 -2.901 1.00 0.00 H new ATOM 0 HG3 MET A 182 7.932 -7.448 -3.563 1.00 0.00 H new ATOM 0 HE1 MET A 182 4.652 -10.604 -4.308 1.00 0.00 H new ATOM 0 HE2 MET A 182 5.769 -10.885 -2.952 1.00 0.00 H new ATOM 0 HE3 MET A 182 4.738 -9.435 -2.969 1.00 0.00 H new ATOM 1030 N GLN A 183 8.809 -5.829 -1.884 1.00 0.00 N ATOM 1031 CA GLN A 183 9.803 -4.862 -2.342 1.00 0.00 C ATOM 1032 C GLN A 183 10.664 -4.389 -1.176 1.00 0.00 C ATOM 1033 O GLN A 183 11.885 -4.301 -1.292 1.00 0.00 O ATOM 1034 CB GLN A 183 9.126 -3.668 -3.017 1.00 0.00 C ATOM 1035 CG GLN A 183 8.369 -4.034 -4.283 1.00 0.00 C ATOM 1036 CD GLN A 183 7.730 -2.832 -4.951 1.00 0.00 C ATOM 1037 OE1 GLN A 183 6.898 -2.147 -4.357 1.00 0.00 O ATOM 1038 NE2 GLN A 183 8.118 -2.571 -6.194 1.00 0.00 N ATOM 0 H GLN A 183 7.845 -5.586 -2.112 1.00 0.00 H new ATOM 0 HA GLN A 183 10.444 -5.354 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.436 -3.206 -2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 183 9.882 -2.921 -3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 183 9.052 -4.514 -4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 183 7.596 -4.764 -4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 183 8.811 -3.166 -6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 183 7.723 -1.775 -6.695 1.00 0.00 H new ATOM 1047 N LEU A 184 10.018 -4.099 -0.049 1.00 0.00 N ATOM 1048 CA LEU A 184 10.726 -3.651 1.146 1.00 0.00 C ATOM 1049 C LEU A 184 11.698 -4.721 1.629 1.00 0.00 C ATOM 1050 O LEU A 184 12.805 -4.414 2.068 1.00 0.00 O ATOM 1051 CB LEU A 184 9.732 -3.304 2.261 1.00 0.00 C ATOM 1052 CG LEU A 184 9.147 -1.888 2.208 1.00 0.00 C ATOM 1053 CD1 LEU A 184 10.228 -0.859 2.493 1.00 0.00 C ATOM 1054 CD2 LEU A 184 8.499 -1.620 0.859 1.00 0.00 C ATOM 0 H LEU A 184 9.006 -4.166 0.061 1.00 0.00 H new ATOM 0 HA LEU A 184 11.293 -2.756 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 184 8.910 -4.019 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 184 10.230 -3.437 3.222 1.00 0.00 H new ATOM 0 HG LEU A 184 8.377 -1.807 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 184 9.798 0.142 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 184 10.645 -1.034 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 184 11.018 -0.945 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 184 8.091 -0.609 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 184 9.245 -1.721 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 184 7.696 -2.338 0.692 1.00 0.00 H new ATOM 1066 N ARG A 185 11.270 -5.979 1.549 1.00 0.00 N ATOM 1067 CA ARG A 185 12.103 -7.101 1.983 1.00 0.00 C ATOM 1068 C ARG A 185 13.453 -7.104 1.266 1.00 0.00 C ATOM 1069 O ARG A 185 14.503 -7.051 1.907 1.00 0.00 O ATOM 1070 CB ARG A 185 11.382 -8.428 1.730 1.00 0.00 C ATOM 1071 CG ARG A 185 10.090 -8.584 2.517 1.00 0.00 C ATOM 1072 CD ARG A 185 10.345 -8.592 4.017 1.00 0.00 C ATOM 1073 NE ARG A 185 9.116 -8.766 4.785 1.00 0.00 N ATOM 1074 CZ ARG A 185 8.358 -9.859 4.736 1.00 0.00 C ATOM 1075 NH1 ARG A 185 8.708 -10.884 3.969 1.00 0.00 N ATOM 1076 NH2 ARG A 185 7.251 -9.931 5.462 1.00 0.00 N ATOM 0 H ARG A 185 10.354 -6.248 1.189 1.00 0.00 H new ATOM 0 HA ARG A 185 12.283 -6.984 3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 185 11.161 -8.514 0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 185 12.052 -9.249 1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 185 9.411 -7.769 2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 185 9.596 -9.511 2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 185 11.041 -9.395 4.261 1.00 0.00 H new ATOM 0 HD3 ARG A 185 10.823 -7.657 4.307 1.00 0.00 H new ATOM 0 HE ARG A 185 8.820 -8.004 5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 185 9.562 -10.837 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 185 8.123 -11.719 3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 185 6.980 -9.149 6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 185 6.670 -10.769 5.424 1.00 0.00 H new ATOM 1090 N ARG A 186 13.421 -7.163 -0.062 1.00 0.00 N ATOM 1091 CA ARG A 186 14.648 -7.170 -0.856 1.00 0.00 C ATOM 1092 C ARG A 186 15.384 -5.838 -0.755 1.00 0.00 C ATOM 1093 O ARG A 186 16.612 -5.795 -0.806 1.00 0.00 O ATOM 1094 CB ARG A 186 14.352 -7.495 -2.324 1.00 0.00 C ATOM 1095 CG ARG A 186 14.246 -8.987 -2.614 1.00 0.00 C ATOM 1096 CD ARG A 186 13.046 -9.619 -1.928 1.00 0.00 C ATOM 1097 NE ARG A 186 11.782 -9.106 -2.449 1.00 0.00 N ATOM 1098 CZ ARG A 186 11.388 -9.248 -3.712 1.00 0.00 C ATOM 1099 NH1 ARG A 186 12.146 -9.903 -4.582 1.00 0.00 N ATOM 1100 NH2 ARG A 186 10.230 -8.737 -4.106 1.00 0.00 N ATOM 0 H ARG A 186 12.562 -7.207 -0.611 1.00 0.00 H new ATOM 0 HA ARG A 186 15.292 -7.949 -0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 186 13.419 -7.011 -2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 186 15.138 -7.068 -2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 186 14.171 -9.142 -3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 186 15.157 -9.486 -2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 186 13.081 -10.700 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 186 13.100 -9.428 -0.856 1.00 0.00 H new ATOM 0 HE ARG A 186 11.165 -8.609 -1.807 1.00 0.00 H new ATOM 0 HH11 ARG A 186 13.037 -10.301 -4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 186 11.838 -10.008 -5.549 1.00 0.00 H new ATOM 0 HH21 ARG A 186 9.641 -8.235 -3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 186 9.928 -8.846 -5.074 1.00 0.00 H new ATOM 1114 N ALA A 187 14.631 -4.752 -0.615 1.00 0.00 N ATOM 1115 CA ALA A 187 15.221 -3.422 -0.510 1.00 0.00 C ATOM 1116 C ALA A 187 16.142 -3.326 0.700 1.00 0.00 C ATOM 1117 O ALA A 187 17.237 -2.770 0.619 1.00 0.00 O ATOM 1118 CB ALA A 187 14.131 -2.365 -0.431 1.00 0.00 C ATOM 0 H ALA A 187 13.612 -4.766 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 187 15.818 -3.245 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 187 14.586 -1.378 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.515 -2.410 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.509 -2.548 0.446 1.00 0.00 H new