USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 325 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 132 SER OG : rot 180:sc= -0.793 USER MOD Single : A 142 HIS : no HE2:sc= -2.44 K(o=-2.4,f=-5.2!) USER MOD Single : A 143 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.87) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -83:sc= 0.73 USER MOD Single : A 159 THR OG1 : rot 13:sc= -0.0515 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 130 -6.360 5.333 -4.701 1.00 0.00 N ATOM 61 CA ALA A 130 -6.547 4.373 -3.618 1.00 0.00 C ATOM 62 C ALA A 130 -5.433 4.484 -2.583 1.00 0.00 C ATOM 63 O ALA A 130 -5.622 4.142 -1.415 1.00 0.00 O ATOM 64 CB ALA A 130 -6.613 2.959 -4.176 1.00 0.00 C ATOM 0 HA ALA A 130 -7.490 4.603 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -6.753 2.251 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.449 2.881 -4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.684 2.731 -4.699 1.00 0.00 H new ATOM 70 N LEU A 131 -4.271 4.963 -3.017 1.00 0.00 N ATOM 71 CA LEU A 131 -3.127 5.117 -2.126 1.00 0.00 C ATOM 72 C LEU A 131 -3.327 6.298 -1.182 1.00 0.00 C ATOM 73 O LEU A 131 -4.118 7.200 -1.459 1.00 0.00 O ATOM 74 CB LEU A 131 -1.845 5.310 -2.940 1.00 0.00 C ATOM 75 CG LEU A 131 -1.145 4.017 -3.362 1.00 0.00 C ATOM 76 CD1 LEU A 131 -0.548 3.315 -2.153 1.00 0.00 C ATOM 77 CD2 LEU A 131 -2.117 3.098 -4.088 1.00 0.00 C ATOM 0 H LEU A 131 -4.097 5.251 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.038 4.210 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.084 5.884 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.147 5.908 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.335 4.271 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.054 2.397 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.179 3.971 -1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.340 3.073 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.603 2.183 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.948 2.851 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -2.498 3.601 -4.977 1.00 0.00 H new ATOM 89 N SER A 132 -2.605 6.287 -0.066 1.00 0.00 N ATOM 90 CA SER A 132 -2.702 7.357 0.918 1.00 0.00 C ATOM 91 C SER A 132 -1.436 8.214 0.918 1.00 0.00 C ATOM 92 O SER A 132 -0.409 7.816 0.371 1.00 0.00 O ATOM 93 CB SER A 132 -2.941 6.774 2.314 1.00 0.00 C ATOM 94 OG SER A 132 -4.174 7.222 2.849 1.00 0.00 O ATOM 0 H SER A 132 -1.946 5.548 0.179 1.00 0.00 H new ATOM 0 HA SER A 132 -3.547 7.991 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.937 5.685 2.262 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.126 7.064 2.977 1.00 0.00 H new ATOM 0 HG SER A 132 -4.304 6.835 3.740 1.00 0.00 H new ATOM 100 N PRO A 133 -1.496 9.407 1.536 1.00 0.00 N ATOM 101 CA PRO A 133 -0.348 10.319 1.602 1.00 0.00 C ATOM 102 C PRO A 133 0.820 9.721 2.380 1.00 0.00 C ATOM 103 O PRO A 133 1.934 9.620 1.864 1.00 0.00 O ATOM 104 CB PRO A 133 -0.901 11.552 2.326 1.00 0.00 C ATOM 105 CG PRO A 133 -2.112 11.070 3.050 1.00 0.00 C ATOM 106 CD PRO A 133 -2.681 9.958 2.214 1.00 0.00 C ATOM 0 HA PRO A 133 0.051 10.540 0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.167 11.965 3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.153 12.343 1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.854 10.715 4.048 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.837 11.874 3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.179 9.207 2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.418 10.327 1.501 1.00 0.00 H new ATOM 114 N ALA A 134 0.561 9.325 3.621 1.00 0.00 N ATOM 115 CA ALA A 134 1.593 8.737 4.465 1.00 0.00 C ATOM 116 C ALA A 134 2.082 7.414 3.883 1.00 0.00 C ATOM 117 O ALA A 134 3.286 7.154 3.817 1.00 0.00 O ATOM 118 CB ALA A 134 1.065 8.533 5.877 1.00 0.00 C ATOM 0 H ALA A 134 -0.355 9.401 4.064 1.00 0.00 H new ATOM 0 HA ALA A 134 2.438 9.424 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.846 8.093 6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.767 9.494 6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.204 7.866 5.850 1.00 0.00 H new ATOM 124 N ILE A 135 1.140 6.578 3.456 1.00 0.00 N ATOM 125 CA ILE A 135 1.487 5.289 2.880 1.00 0.00 C ATOM 126 C ILE A 135 2.422 5.459 1.694 1.00 0.00 C ATOM 127 O ILE A 135 3.398 4.733 1.566 1.00 0.00 O ATOM 128 CB ILE A 135 0.248 4.497 2.424 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.705 4.275 3.600 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.672 3.164 1.811 1.00 0.00 C ATOM 131 CD1 ILE A 135 -1.946 3.491 3.233 1.00 0.00 C ATOM 0 H ILE A 135 0.139 6.770 3.499 1.00 0.00 H new ATOM 0 HA ILE A 135 1.984 4.727 3.670 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.278 5.074 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.174 3.749 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.003 5.243 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.212 2.612 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.315 3.348 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.216 2.579 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.575 3.372 4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.500 4.026 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.658 2.509 2.857 1.00 0.00 H new ATOM 143 N ARG A 136 2.127 6.423 0.828 1.00 0.00 N ATOM 144 CA ARG A 136 2.965 6.663 -0.340 1.00 0.00 C ATOM 145 C ARG A 136 4.425 6.766 0.081 1.00 0.00 C ATOM 146 O ARG A 136 5.320 6.282 -0.613 1.00 0.00 O ATOM 147 CB ARG A 136 2.504 7.925 -1.079 1.00 0.00 C ATOM 148 CG ARG A 136 3.389 9.134 -0.844 1.00 0.00 C ATOM 149 CD ARG A 136 2.883 10.357 -1.592 1.00 0.00 C ATOM 150 NE ARG A 136 3.968 11.100 -2.227 1.00 0.00 N ATOM 151 CZ ARG A 136 3.867 12.365 -2.627 1.00 0.00 C ATOM 152 NH1 ARG A 136 2.730 13.031 -2.462 1.00 0.00 N ATOM 153 NH2 ARG A 136 4.904 12.966 -3.194 1.00 0.00 N ATOM 0 H ARG A 136 1.323 7.045 0.911 1.00 0.00 H new ATOM 0 HA ARG A 136 2.869 5.824 -1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.469 7.715 -2.148 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.487 8.165 -0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.431 9.352 0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.406 8.908 -1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.165 10.046 -2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.353 11.011 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 136 4.856 10.621 -2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.929 12.573 -2.027 1.00 0.00 H new ATOM 0 HH12 ARG A 136 2.658 14.001 -2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 136 5.779 12.459 -3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 136 4.826 13.936 -3.501 1.00 0.00 H new ATOM 167 N ARG A 137 4.652 7.366 1.241 1.00 0.00 N ATOM 168 CA ARG A 137 5.995 7.494 1.775 1.00 0.00 C ATOM 169 C ARG A 137 6.489 6.124 2.209 1.00 0.00 C ATOM 170 O ARG A 137 7.641 5.758 1.970 1.00 0.00 O ATOM 171 CB ARG A 137 6.012 8.460 2.960 1.00 0.00 C ATOM 172 CG ARG A 137 5.439 9.831 2.636 1.00 0.00 C ATOM 173 CD ARG A 137 6.364 10.947 3.094 1.00 0.00 C ATOM 174 NE ARG A 137 6.498 10.985 4.548 1.00 0.00 N ATOM 175 CZ ARG A 137 6.981 12.027 5.221 1.00 0.00 C ATOM 176 NH1 ARG A 137 7.377 13.117 4.575 1.00 0.00 N ATOM 177 NH2 ARG A 137 7.068 11.979 6.543 1.00 0.00 N ATOM 0 H ARG A 137 3.922 7.771 1.828 1.00 0.00 H new ATOM 0 HA ARG A 137 6.652 7.893 1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.445 8.023 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 137 7.038 8.577 3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 137 5.274 9.912 1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.467 9.943 3.117 1.00 0.00 H new ATOM 0 HD2 ARG A 137 7.347 10.811 2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 137 5.980 11.904 2.740 1.00 0.00 H new ATOM 0 HE ARG A 137 6.204 10.165 5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.312 13.159 3.558 1.00 0.00 H new ATOM 0 HH12 ARG A 137 7.746 13.913 5.096 1.00 0.00 H new ATOM 0 HH21 ARG A 137 6.765 11.144 7.044 1.00 0.00 H new ATOM 0 HH22 ARG A 137 7.438 12.777 7.059 1.00 0.00 H new ATOM 191 N LEU A 138 5.598 5.363 2.841 1.00 0.00 N ATOM 192 CA LEU A 138 5.931 4.021 3.301 1.00 0.00 C ATOM 193 C LEU A 138 6.305 3.119 2.126 1.00 0.00 C ATOM 194 O LEU A 138 7.371 2.504 2.122 1.00 0.00 O ATOM 195 CB LEU A 138 4.759 3.408 4.069 1.00 0.00 C ATOM 196 CG LEU A 138 5.021 2.003 4.612 1.00 0.00 C ATOM 197 CD1 LEU A 138 6.147 2.031 5.634 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.759 1.418 5.227 1.00 0.00 C ATOM 0 H LEU A 138 4.642 5.654 3.045 1.00 0.00 H new ATOM 0 HA LEU A 138 6.789 4.101 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.504 4.064 4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.889 3.374 3.413 1.00 0.00 H new ATOM 0 HG LEU A 138 5.322 1.366 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.321 1.023 6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.056 2.405 5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.871 2.685 6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.969 0.418 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.425 2.054 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 138 2.977 1.362 4.469 1.00 0.00 H new ATOM 210 N LEU A 139 5.430 3.050 1.122 1.00 0.00 N ATOM 211 CA LEU A 139 5.684 2.232 -0.056 1.00 0.00 C ATOM 212 C LEU A 139 6.975 2.675 -0.719 1.00 0.00 C ATOM 213 O LEU A 139 7.759 1.858 -1.201 1.00 0.00 O ATOM 214 CB LEU A 139 4.520 2.337 -1.043 1.00 0.00 C ATOM 215 CG LEU A 139 3.295 1.490 -0.694 1.00 0.00 C ATOM 216 CD1 LEU A 139 2.050 2.049 -1.364 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.516 0.041 -1.101 1.00 0.00 C ATOM 0 H LEU A 139 4.542 3.551 1.104 1.00 0.00 H new ATOM 0 HA LEU A 139 5.779 1.191 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.214 3.381 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.875 2.045 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 139 3.148 1.526 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.189 1.433 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.881 3.071 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.186 2.045 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.635 -0.547 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.689 -0.013 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.383 -0.357 -0.574 1.00 0.00 H new ATOM 229 N ALA A 140 7.193 3.983 -0.723 1.00 0.00 N ATOM 230 CA ALA A 140 8.399 4.552 -1.306 1.00 0.00 C ATOM 231 C ALA A 140 9.628 4.091 -0.529 1.00 0.00 C ATOM 232 O ALA A 140 10.707 3.917 -1.096 1.00 0.00 O ATOM 233 CB ALA A 140 8.316 6.071 -1.321 1.00 0.00 C ATOM 0 H ALA A 140 6.550 4.670 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 140 8.488 4.203 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.226 6.481 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.455 6.383 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.208 6.440 -0.301 1.00 0.00 H new ATOM 239 N GLU A 141 9.449 3.891 0.774 1.00 0.00 N ATOM 240 CA GLU A 141 10.532 3.445 1.639 1.00 0.00 C ATOM 241 C GLU A 141 10.875 1.985 1.368 1.00 0.00 C ATOM 242 O GLU A 141 12.039 1.629 1.192 1.00 0.00 O ATOM 243 CB GLU A 141 10.142 3.619 3.109 1.00 0.00 C ATOM 244 CG GLU A 141 9.830 5.059 3.488 1.00 0.00 C ATOM 245 CD GLU A 141 10.683 5.559 4.638 1.00 0.00 C ATOM 246 OE1 GLU A 141 11.883 5.213 4.680 1.00 0.00 O ATOM 247 OE2 GLU A 141 10.152 6.295 5.495 1.00 0.00 O ATOM 0 H GLU A 141 8.560 4.032 1.253 1.00 0.00 H new ATOM 0 HA GLU A 141 11.409 4.055 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.271 2.999 3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.954 3.254 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.985 5.700 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.778 5.139 3.760 1.00 0.00 H new ATOM 254 N HIS A 142 9.847 1.147 1.337 1.00 0.00 N ATOM 255 CA HIS A 142 10.026 -0.279 1.085 1.00 0.00 C ATOM 256 C HIS A 142 10.398 -0.540 -0.374 1.00 0.00 C ATOM 257 O HIS A 142 10.768 -1.657 -0.736 1.00 0.00 O ATOM 258 CB HIS A 142 8.749 -1.044 1.439 1.00 0.00 C ATOM 259 CG HIS A 142 8.412 -1.015 2.899 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.890 -1.943 3.801 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.631 -0.169 3.612 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.414 -1.669 5.003 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.650 -0.598 4.916 1.00 0.00 N ATOM 0 H HIS A 142 8.878 1.430 1.483 1.00 0.00 H new ATOM 0 HA HIS A 142 10.843 -0.630 1.715 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.916 -0.623 0.875 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.858 -2.081 1.121 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.513 -2.719 3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.093 0.685 3.226 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.617 -2.228 5.905 1.00 0.00 H new ATOM 272 N ASN A 143 10.296 0.494 -1.209 1.00 0.00 N ATOM 273 CA ASN A 143 10.620 0.369 -2.626 1.00 0.00 C ATOM 274 C ASN A 143 9.642 -0.569 -3.326 1.00 0.00 C ATOM 275 O ASN A 143 10.032 -1.609 -3.859 1.00 0.00 O ATOM 276 CB ASN A 143 12.056 -0.133 -2.804 1.00 0.00 C ATOM 277 CG ASN A 143 13.035 0.997 -3.060 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.720 1.960 -3.760 1.00 0.00 O ATOM 279 ND2 ASN A 143 14.231 0.885 -2.494 1.00 0.00 N ATOM 0 H ASN A 143 9.992 1.426 -0.927 1.00 0.00 H new ATOM 0 HA ASN A 143 10.535 1.355 -3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.361 -0.679 -1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 143 12.092 -0.837 -3.636 1.00 0.00 H new ATOM 0 HD21 ASN A 143 14.931 1.614 -2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 143 14.450 0.070 -1.921 1.00 0.00 H new ATOM 286 N LEU A 144 8.367 -0.194 -3.321 1.00 0.00 N ATOM 287 CA LEU A 144 7.330 -0.999 -3.955 1.00 0.00 C ATOM 288 C LEU A 144 6.505 -0.162 -4.923 1.00 0.00 C ATOM 289 O LEU A 144 6.734 1.038 -5.079 1.00 0.00 O ATOM 290 CB LEU A 144 6.413 -1.621 -2.901 1.00 0.00 C ATOM 291 CG LEU A 144 7.119 -2.114 -1.640 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.104 -2.532 -0.585 1.00 0.00 C ATOM 293 CD2 LEU A 144 8.054 -3.268 -1.971 1.00 0.00 C ATOM 0 H LEU A 144 8.027 0.663 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 144 7.822 -1.795 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.662 -0.885 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.882 -2.459 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 144 7.713 -1.294 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.627 -2.880 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.476 -1.680 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.481 -3.336 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.549 -3.607 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.480 -4.090 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.803 -2.935 -2.689 1.00 0.00 H new ATOM 305 N ASP A 145 5.542 -0.806 -5.569 1.00 0.00 N ATOM 306 CA ASP A 145 4.673 -0.129 -6.524 1.00 0.00 C ATOM 307 C ASP A 145 3.207 -0.303 -6.141 1.00 0.00 C ATOM 308 O ASP A 145 2.703 -1.424 -6.071 1.00 0.00 O ATOM 309 CB ASP A 145 4.909 -0.672 -7.935 1.00 0.00 C ATOM 310 CG ASP A 145 4.848 0.415 -8.991 1.00 0.00 C ATOM 311 OD1 ASP A 145 5.869 1.103 -9.196 1.00 0.00 O ATOM 312 OD2 ASP A 145 3.777 0.578 -9.612 1.00 0.00 O ATOM 0 H ASP A 145 5.342 -1.799 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 145 4.913 0.934 -6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.883 -1.160 -7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.162 -1.434 -8.158 1.00 0.00 H new ATOM 317 N ALA A 146 2.527 0.812 -5.891 1.00 0.00 N ATOM 318 CA ALA A 146 1.118 0.781 -5.515 1.00 0.00 C ATOM 319 C ALA A 146 0.292 0.010 -6.541 1.00 0.00 C ATOM 320 O ALA A 146 -0.555 -0.808 -6.183 1.00 0.00 O ATOM 321 CB ALA A 146 0.583 2.197 -5.359 1.00 0.00 C ATOM 0 H ALA A 146 2.929 1.748 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 146 1.033 0.265 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.470 2.159 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 146 1.147 2.716 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.688 2.732 -6.303 1.00 0.00 H new ATOM 327 N SER A 147 0.549 0.277 -7.817 1.00 0.00 N ATOM 328 CA SER A 147 -0.167 -0.391 -8.898 1.00 0.00 C ATOM 329 C SER A 147 0.040 -1.904 -8.844 1.00 0.00 C ATOM 330 O SER A 147 -0.735 -2.665 -9.423 1.00 0.00 O ATOM 331 CB SER A 147 0.294 0.149 -10.253 1.00 0.00 C ATOM 332 OG SER A 147 -0.445 1.300 -10.622 1.00 0.00 O ATOM 0 H SER A 147 1.248 0.952 -8.128 1.00 0.00 H new ATOM 0 HA SER A 147 -1.230 -0.186 -8.773 1.00 0.00 H new ATOM 0 HB2 SER A 147 1.355 0.393 -10.208 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.176 -0.622 -11.014 1.00 0.00 H new ATOM 0 HG SER A 147 -0.130 1.626 -11.491 1.00 0.00 H new ATOM 338 N ALA A 148 1.089 -2.336 -8.148 1.00 0.00 N ATOM 339 CA ALA A 148 1.390 -3.756 -8.023 1.00 0.00 C ATOM 340 C ALA A 148 0.673 -4.370 -6.825 1.00 0.00 C ATOM 341 O ALA A 148 0.437 -5.577 -6.782 1.00 0.00 O ATOM 342 CB ALA A 148 2.893 -3.967 -7.904 1.00 0.00 C ATOM 0 H ALA A 148 1.743 -1.722 -7.663 1.00 0.00 H new ATOM 0 HA ALA A 148 1.031 -4.257 -8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.105 -5.032 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.387 -3.575 -8.793 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.265 -3.445 -7.022 1.00 0.00 H new ATOM 348 N ILE A 149 0.331 -3.531 -5.851 1.00 0.00 N ATOM 349 CA ILE A 149 -0.357 -3.992 -4.651 1.00 0.00 C ATOM 350 C ILE A 149 -1.848 -3.681 -4.720 1.00 0.00 C ATOM 351 O ILE A 149 -2.284 -2.860 -5.525 1.00 0.00 O ATOM 352 CB ILE A 149 0.235 -3.346 -3.382 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.761 -3.277 -3.478 1.00 0.00 C ATOM 354 CG2 ILE A 149 -0.188 -4.124 -2.145 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.411 -2.603 -2.290 1.00 0.00 C ATOM 0 H ILE A 149 0.519 -2.529 -5.870 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.217 -5.072 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.150 -2.330 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.157 -4.288 -3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.036 -2.740 -4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.238 -3.656 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.275 -4.124 -2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.170 -5.151 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.492 -2.590 -2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.043 -1.580 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.166 -3.153 -1.381 1.00 0.00 H new ATOM 367 N LYS A 150 -2.627 -4.344 -3.869 1.00 0.00 N ATOM 368 CA LYS A 150 -4.070 -4.138 -3.834 1.00 0.00 C ATOM 369 C LYS A 150 -4.492 -3.468 -2.532 1.00 0.00 C ATOM 370 O LYS A 150 -3.724 -3.416 -1.571 1.00 0.00 O ATOM 371 CB LYS A 150 -4.799 -5.473 -3.995 1.00 0.00 C ATOM 372 CG LYS A 150 -4.868 -5.959 -5.434 1.00 0.00 C ATOM 373 CD LYS A 150 -3.762 -6.958 -5.738 1.00 0.00 C ATOM 374 CE LYS A 150 -3.836 -7.457 -7.173 1.00 0.00 C ATOM 375 NZ LYS A 150 -3.952 -8.939 -7.241 1.00 0.00 N ATOM 0 H LYS A 150 -2.282 -5.028 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.340 -3.482 -4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -4.297 -6.227 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.812 -5.374 -3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.838 -6.421 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.788 -5.108 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.792 -6.492 -5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.837 -7.803 -5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -4.692 -7.003 -7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.946 -7.138 -7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -4.000 -9.238 -8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -3.123 -9.373 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.815 -9.243 -6.746 1.00 0.00 H new ATOM 389 N GLY A 151 -5.719 -2.956 -2.506 1.00 0.00 N ATOM 390 CA GLY A 151 -6.223 -2.295 -1.316 1.00 0.00 C ATOM 391 C GLY A 151 -7.461 -2.970 -0.758 1.00 0.00 C ATOM 392 O GLY A 151 -8.153 -3.698 -1.469 1.00 0.00 O ATOM 0 H GLY A 151 -6.373 -2.987 -3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.444 -2.283 -0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.454 -1.256 -1.551 1.00 0.00 H new ATOM 396 N THR A 152 -7.740 -2.726 0.519 1.00 0.00 N ATOM 397 CA THR A 152 -8.903 -3.315 1.172 1.00 0.00 C ATOM 398 C THR A 152 -9.466 -2.377 2.237 1.00 0.00 C ATOM 399 O THR A 152 -10.075 -2.821 3.210 1.00 0.00 O ATOM 400 CB THR A 152 -8.534 -4.658 1.803 1.00 0.00 C ATOM 401 OG1 THR A 152 -7.294 -4.568 2.483 1.00 0.00 O ATOM 402 CG2 THR A 152 -8.425 -5.783 0.796 1.00 0.00 C ATOM 0 H THR A 152 -7.177 -2.125 1.121 1.00 0.00 H new ATOM 0 HA THR A 152 -9.670 -3.475 0.414 1.00 0.00 H new ATOM 0 HB THR A 152 -9.347 -4.887 2.492 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.561 -4.685 1.843 1.00 0.00 H new ATOM 0 HG21 THR A 152 -8.161 -6.707 1.310 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.381 -5.911 0.288 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.655 -5.542 0.063 1.00 0.00 H new ATOM 410 N GLY A 153 -9.258 -1.078 2.046 1.00 0.00 N ATOM 411 CA GLY A 153 -9.751 -0.100 2.996 1.00 0.00 C ATOM 412 C GLY A 153 -11.265 -0.014 3.007 1.00 0.00 C ATOM 413 O GLY A 153 -11.937 -0.842 3.622 1.00 0.00 O ATOM 0 H GLY A 153 -8.756 -0.686 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.398 -0.358 3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -9.336 0.878 2.754 1.00 0.00 H new ATOM 417 N VAL A 154 -11.802 0.992 2.324 1.00 0.00 N ATOM 418 CA VAL A 154 -13.245 1.184 2.255 1.00 0.00 C ATOM 419 C VAL A 154 -13.810 0.630 0.952 1.00 0.00 C ATOM 420 O VAL A 154 -14.806 1.134 0.431 1.00 0.00 O ATOM 421 CB VAL A 154 -13.622 2.674 2.371 1.00 0.00 C ATOM 422 CG1 VAL A 154 -15.121 2.833 2.578 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.847 3.335 3.502 1.00 0.00 C ATOM 0 H VAL A 154 -11.259 1.686 1.811 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.676 0.642 3.097 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.354 3.170 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.367 3.892 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.653 2.399 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.418 2.322 3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -13.126 4.386 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -13.081 2.837 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.778 3.255 3.306 1.00 0.00 H new ATOM 433 N GLY A 155 -13.170 -0.411 0.430 1.00 0.00 N ATOM 434 CA GLY A 155 -13.624 -1.017 -0.809 1.00 0.00 C ATOM 435 C GLY A 155 -12.674 -0.760 -1.962 1.00 0.00 C ATOM 436 O GLY A 155 -13.095 -0.687 -3.117 1.00 0.00 O ATOM 0 H GLY A 155 -12.345 -0.846 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -13.734 -2.092 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.610 -0.627 -1.061 1.00 0.00 H new ATOM 440 N GLY A 156 -11.390 -0.624 -1.649 1.00 0.00 N ATOM 441 CA GLY A 156 -10.397 -0.375 -2.679 1.00 0.00 C ATOM 442 C GLY A 156 -9.418 0.713 -2.289 1.00 0.00 C ATOM 443 O GLY A 156 -9.293 1.723 -2.982 1.00 0.00 O ATOM 0 H GLY A 156 -11.019 -0.682 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.850 -1.296 -2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.900 -0.092 -3.604 1.00 0.00 H new ATOM 447 N ARG A 157 -8.719 0.506 -1.177 1.00 0.00 N ATOM 448 CA ARG A 157 -7.744 1.477 -0.695 1.00 0.00 C ATOM 449 C ARG A 157 -6.514 0.775 -0.128 1.00 0.00 C ATOM 450 O ARG A 157 -6.631 -0.221 0.586 1.00 0.00 O ATOM 451 CB ARG A 157 -8.365 2.375 0.378 1.00 0.00 C ATOM 452 CG ARG A 157 -9.789 2.807 0.070 1.00 0.00 C ATOM 453 CD ARG A 157 -9.822 3.947 -0.937 1.00 0.00 C ATOM 454 NE ARG A 157 -10.775 4.986 -0.557 1.00 0.00 N ATOM 455 CZ ARG A 157 -10.745 6.230 -1.033 1.00 0.00 C ATOM 456 NH1 ARG A 157 -9.814 6.592 -1.906 1.00 0.00 N ATOM 457 NH2 ARG A 157 -11.650 7.113 -0.633 1.00 0.00 N ATOM 0 H ARG A 157 -8.810 -0.326 -0.593 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.438 2.092 -1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.354 1.846 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.744 3.263 0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -10.351 1.959 -0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.282 3.119 0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.827 4.383 -1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.086 3.555 -1.919 1.00 0.00 H new ATOM 0 HE ARG A 157 -11.506 4.745 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.116 5.916 -2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.796 7.546 -2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -12.368 6.839 0.038 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.628 8.066 -0.996 1.00 0.00 H new ATOM 471 N LEU A 158 -5.337 1.301 -0.447 1.00 0.00 N ATOM 472 CA LEU A 158 -4.088 0.725 0.036 1.00 0.00 C ATOM 473 C LEU A 158 -3.896 1.027 1.519 1.00 0.00 C ATOM 474 O LEU A 158 -3.971 2.180 1.941 1.00 0.00 O ATOM 475 CB LEU A 158 -2.905 1.271 -0.769 1.00 0.00 C ATOM 476 CG LEU A 158 -1.796 0.260 -1.070 1.00 0.00 C ATOM 477 CD1 LEU A 158 -1.033 -0.096 0.199 1.00 0.00 C ATOM 478 CD2 LEU A 158 -2.371 -0.992 -1.720 1.00 0.00 C ATOM 0 H LEU A 158 -5.222 2.125 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.135 -0.356 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.281 1.665 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.472 2.109 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 158 -1.098 0.719 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.249 -0.816 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.584 0.804 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.719 -0.532 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.566 -1.698 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -3.094 -1.452 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.865 -0.723 -2.654 1.00 0.00 H new ATOM 490 N THR A 159 -3.650 -0.016 2.304 1.00 0.00 N ATOM 491 CA THR A 159 -3.451 0.139 3.741 1.00 0.00 C ATOM 492 C THR A 159 -2.137 -0.495 4.182 1.00 0.00 C ATOM 493 O THR A 159 -1.564 -1.323 3.470 1.00 0.00 O ATOM 494 CB THR A 159 -4.616 -0.487 4.508 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.170 -1.570 3.782 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.734 0.489 4.802 1.00 0.00 C ATOM 0 H THR A 159 -3.584 -0.978 1.970 1.00 0.00 H new ATOM 0 HA THR A 159 -3.409 1.205 3.963 1.00 0.00 H new ATOM 0 HB THR A 159 -4.191 -0.822 5.454 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.570 -1.811 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.528 -0.021 5.348 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.350 1.312 5.405 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.131 0.880 3.865 1.00 0.00 H new ATOM 504 N ARG A 160 -1.666 -0.109 5.366 1.00 0.00 N ATOM 505 CA ARG A 160 -0.420 -0.645 5.903 1.00 0.00 C ATOM 506 C ARG A 160 -0.476 -2.166 5.959 1.00 0.00 C ATOM 507 O ARG A 160 0.538 -2.844 5.794 1.00 0.00 O ATOM 508 CB ARG A 160 -0.153 -0.079 7.299 1.00 0.00 C ATOM 509 CG ARG A 160 1.309 -0.144 7.712 1.00 0.00 C ATOM 510 CD ARG A 160 1.762 1.149 8.371 1.00 0.00 C ATOM 511 NE ARG A 160 3.090 1.025 8.967 1.00 0.00 N ATOM 512 CZ ARG A 160 3.861 2.063 9.282 1.00 0.00 C ATOM 513 NH1 ARG A 160 3.440 3.303 9.062 1.00 0.00 N ATOM 514 NH2 ARG A 160 5.056 1.862 9.821 1.00 0.00 N ATOM 0 H ARG A 160 -2.128 0.571 5.969 1.00 0.00 H new ATOM 0 HA ARG A 160 0.394 -0.348 5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.485 0.959 7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.752 -0.628 8.025 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.456 -0.975 8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.927 -0.343 6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 160 1.770 1.949 7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.045 1.434 9.141 1.00 0.00 H new ATOM 0 HE ARG A 160 3.447 0.088 9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 160 2.521 3.464 8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 160 4.035 4.095 9.306 1.00 0.00 H new ATOM 0 HH21 ARG A 160 5.384 0.912 9.994 1.00 0.00 H new ATOM 0 HH22 ARG A 160 5.647 2.658 10.062 1.00 0.00 H new ATOM 528 N GLU A 161 -1.674 -2.697 6.177 1.00 0.00 N ATOM 529 CA GLU A 161 -1.867 -4.138 6.236 1.00 0.00 C ATOM 530 C GLU A 161 -1.632 -4.754 4.862 1.00 0.00 C ATOM 531 O GLU A 161 -1.074 -5.845 4.745 1.00 0.00 O ATOM 532 CB GLU A 161 -3.278 -4.469 6.727 1.00 0.00 C ATOM 533 CG GLU A 161 -3.387 -5.835 7.385 1.00 0.00 C ATOM 534 CD GLU A 161 -3.432 -5.751 8.899 1.00 0.00 C ATOM 535 OE1 GLU A 161 -4.132 -4.860 9.424 1.00 0.00 O ATOM 536 OE2 GLU A 161 -2.764 -6.575 9.559 1.00 0.00 O ATOM 0 H GLU A 161 -2.524 -2.151 6.315 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.148 -4.557 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.595 -3.706 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.967 -4.425 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -4.286 -6.337 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.538 -6.448 7.084 1.00 0.00 H new ATOM 543 N ASP A 162 -2.054 -4.038 3.823 1.00 0.00 N ATOM 544 CA ASP A 162 -1.883 -4.507 2.454 1.00 0.00 C ATOM 545 C ASP A 162 -0.403 -4.578 2.099 1.00 0.00 C ATOM 546 O ASP A 162 0.079 -5.592 1.594 1.00 0.00 O ATOM 547 CB ASP A 162 -2.611 -3.579 1.480 1.00 0.00 C ATOM 548 CG ASP A 162 -4.118 -3.670 1.612 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.634 -4.795 1.773 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.783 -2.613 1.556 1.00 0.00 O ATOM 0 H ASP A 162 -2.516 -3.132 3.904 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.311 -5.506 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.295 -2.551 1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.323 -3.830 0.459 1.00 0.00 H new ATOM 555 N VAL A 163 0.315 -3.494 2.375 1.00 0.00 N ATOM 556 CA VAL A 163 1.742 -3.434 2.093 1.00 0.00 C ATOM 557 C VAL A 163 2.504 -4.456 2.930 1.00 0.00 C ATOM 558 O VAL A 163 3.538 -4.972 2.507 1.00 0.00 O ATOM 559 CB VAL A 163 2.313 -2.029 2.365 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.774 -1.953 1.948 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.493 -0.970 1.645 1.00 0.00 C ATOM 0 H VAL A 163 -0.069 -2.647 2.793 1.00 0.00 H new ATOM 0 HA VAL A 163 1.869 -3.665 1.035 1.00 0.00 H new ATOM 0 HB VAL A 163 2.254 -1.837 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.158 -0.953 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.352 -2.684 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.860 -2.168 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 163 1.912 0.015 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.517 -1.159 0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.462 -1.006 1.997 1.00 0.00 H new ATOM 571 N GLU A 164 1.986 -4.745 4.120 1.00 0.00 N ATOM 572 CA GLU A 164 2.620 -5.708 5.014 1.00 0.00 C ATOM 573 C GLU A 164 2.562 -7.114 4.427 1.00 0.00 C ATOM 574 O GLU A 164 3.571 -7.816 4.376 1.00 0.00 O ATOM 575 CB GLU A 164 1.945 -5.685 6.387 1.00 0.00 C ATOM 576 CG GLU A 164 2.576 -4.702 7.359 1.00 0.00 C ATOM 577 CD GLU A 164 3.995 -5.084 7.733 1.00 0.00 C ATOM 578 OE1 GLU A 164 4.914 -4.802 6.937 1.00 0.00 O ATOM 579 OE2 GLU A 164 4.186 -5.664 8.823 1.00 0.00 O ATOM 0 H GLU A 164 1.131 -4.327 4.487 1.00 0.00 H new ATOM 0 HA GLU A 164 3.666 -5.425 5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 164 0.892 -5.433 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 164 1.984 -6.685 6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 164 2.576 -3.707 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 164 1.968 -4.648 8.262 1.00 0.00 H new ATOM 586 N LYS A 165 1.377 -7.516 3.974 1.00 0.00 N ATOM 587 CA LYS A 165 1.202 -8.836 3.382 1.00 0.00 C ATOM 588 C LYS A 165 1.996 -8.948 2.087 1.00 0.00 C ATOM 589 O LYS A 165 2.535 -10.007 1.764 1.00 0.00 O ATOM 590 CB LYS A 165 -0.279 -9.112 3.113 1.00 0.00 C ATOM 591 CG LYS A 165 -1.150 -9.050 4.356 1.00 0.00 C ATOM 592 CD LYS A 165 -0.627 -9.966 5.449 1.00 0.00 C ATOM 593 CE LYS A 165 -0.737 -11.429 5.050 1.00 0.00 C ATOM 594 NZ LYS A 165 -1.141 -12.289 6.197 1.00 0.00 N ATOM 0 H LYS A 165 0.530 -6.949 4.006 1.00 0.00 H new ATOM 0 HA LYS A 165 1.574 -9.579 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.648 -8.388 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.379 -10.098 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.186 -8.025 4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.171 -9.333 4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 165 0.414 -9.723 5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -1.188 -9.795 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -1.465 -11.532 4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 165 0.221 -11.772 4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -1.205 -13.279 5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -0.434 -12.211 6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -2.067 -11.979 6.554 1.00 0.00 H new ATOM 608 N TRP A 166 2.068 -7.844 1.352 1.00 0.00 N ATOM 609 CA TRP A 166 2.801 -7.809 0.092 1.00 0.00 C ATOM 610 C TRP A 166 4.302 -7.909 0.339 1.00 0.00 C ATOM 611 O TRP A 166 5.010 -8.634 -0.359 1.00 0.00 O ATOM 612 CB TRP A 166 2.484 -6.523 -0.672 1.00 0.00 C ATOM 613 CG TRP A 166 2.941 -6.553 -2.098 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.046 -5.943 -2.618 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.303 -7.227 -3.188 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.134 -6.198 -3.965 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.075 -6.984 -4.339 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.152 -8.012 -3.302 1.00 0.00 C ATOM 619 CZ2 TRP A 166 2.735 -7.499 -5.587 1.00 0.00 C ATOM 620 CZ3 TRP A 166 0.816 -8.524 -4.541 1.00 0.00 C ATOM 621 CH2 TRP A 166 1.605 -8.265 -5.670 1.00 0.00 C ATOM 0 H TRP A 166 1.627 -6.960 1.607 1.00 0.00 H new ATOM 0 HA TRP A 166 2.488 -8.664 -0.507 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.408 -6.349 -0.646 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.955 -5.681 -0.164 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.748 -5.347 -2.053 1.00 0.00 H new ATOM 0 HE1 TRP A 166 4.868 -5.858 -4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.537 -8.215 -2.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.342 -7.301 -6.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.070 -9.134 -4.641 1.00 0.00 H new ATOM 0 HH2 TRP A 166 1.315 -8.679 -6.625 1.00 0.00 H new ATOM 632 N LEU A 167 4.781 -7.172 1.336 1.00 0.00 N ATOM 633 CA LEU A 167 6.198 -7.176 1.676 1.00 0.00 C ATOM 634 C LEU A 167 6.650 -8.567 2.106 1.00 0.00 C ATOM 635 O LEU A 167 7.757 -9.000 1.787 1.00 0.00 O ATOM 636 CB LEU A 167 6.479 -6.168 2.791 1.00 0.00 C ATOM 637 CG LEU A 167 6.533 -4.706 2.343 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.274 -3.778 3.518 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.878 -4.399 1.703 1.00 0.00 C ATOM 0 H LEU A 167 4.208 -6.565 1.922 1.00 0.00 H new ATOM 0 HA LEU A 167 6.760 -6.890 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.708 -6.270 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.429 -6.424 3.260 1.00 0.00 H new ATOM 0 HG LEU A 167 5.752 -4.542 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.316 -2.743 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.288 -3.984 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.032 -3.941 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.902 -3.355 1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.674 -4.579 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.023 -5.042 0.835 1.00 0.00 H new ATOM 651 N ALA A 168 5.782 -9.262 2.832 1.00 0.00 N ATOM 652 CA ALA A 168 6.086 -10.605 3.309 1.00 0.00 C ATOM 653 C ALA A 168 5.950 -11.629 2.187 1.00 0.00 C ATOM 654 O ALA A 168 6.651 -12.642 2.169 1.00 0.00 O ATOM 655 CB ALA A 168 5.176 -10.970 4.471 1.00 0.00 C ATOM 0 H ALA A 168 4.861 -8.917 3.103 1.00 0.00 H new ATOM 0 HA ALA A 168 7.120 -10.617 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.414 -11.976 4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.324 -10.261 5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 168 4.137 -10.935 4.144 1.00 0.00 H new ATOM 661 N LYS A 169 5.046 -11.360 1.252 1.00 0.00 N ATOM 662 CA LYS A 169 4.818 -12.259 0.125 1.00 0.00 C ATOM 663 C LYS A 169 5.173 -11.578 -1.195 1.00 0.00 C ATOM 664 O LYS A 169 4.391 -11.596 -2.145 1.00 0.00 O ATOM 665 CB LYS A 169 3.360 -12.721 0.102 1.00 0.00 C ATOM 666 CG LYS A 169 3.104 -13.971 0.928 1.00 0.00 C ATOM 667 CD LYS A 169 3.134 -15.223 0.066 1.00 0.00 C ATOM 668 CE LYS A 169 2.053 -16.209 0.479 1.00 0.00 C ATOM 669 NZ LYS A 169 0.755 -15.926 -0.196 1.00 0.00 N ATOM 0 H LYS A 169 4.458 -10.526 1.251 1.00 0.00 H new ATOM 0 HA LYS A 169 5.464 -13.128 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.726 -11.915 0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 169 3.064 -12.911 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 169 3.856 -14.050 1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 169 2.135 -13.891 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 169 2.998 -14.949 -0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 169 4.112 -15.698 0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 169 2.374 -17.222 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 169 1.917 -16.167 1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 0.045 -16.620 0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 0.435 -14.969 0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 0.878 -15.991 -1.227 1.00 0.00 H new ATOM 683 N ALA A 170 6.357 -10.978 -1.245 1.00 0.00 N ATOM 684 CA ALA A 170 6.816 -10.293 -2.447 1.00 0.00 C ATOM 685 C ALA A 170 6.864 -11.244 -3.638 1.00 0.00 C ATOM 686 O ALA A 170 6.131 -11.001 -4.619 1.00 0.00 O ATOM 687 CB ALA A 170 8.185 -9.672 -2.211 1.00 0.00 C ATOM 688 OXT ALA A 170 7.636 -12.225 -3.581 1.00 0.00 O ATOM 0 H ALA A 170 7.016 -10.952 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 170 6.104 -9.501 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.515 -9.164 -3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 170 8.122 -8.953 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 170 8.899 -10.454 -1.953 1.00 0.00 H new