USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 414 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 150 THR OG1 : rot -140:sc= -0.0114 USER MOD Set 1.2: A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.003) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 LYS NZ :NH3+ 157:sc= -0.12 (180deg=-0.229) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 SER OG : rot 180:sc= 0.018 USER MOD Single : A 180 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ARG A 132 0.653 -7.603 0.510 1.00 0.00 N ATOM 77 CA ARG A 132 1.236 -7.763 1.837 1.00 0.00 C ATOM 78 C ARG A 132 1.426 -6.410 2.515 1.00 0.00 C ATOM 79 O ARG A 132 1.629 -5.393 1.851 1.00 0.00 O ATOM 80 CB ARG A 132 2.576 -8.496 1.744 1.00 0.00 C ATOM 81 CG ARG A 132 2.719 -9.633 2.744 1.00 0.00 C ATOM 82 CD ARG A 132 4.137 -10.178 2.771 1.00 0.00 C ATOM 83 NE ARG A 132 4.510 -10.673 4.094 1.00 0.00 N ATOM 84 CZ ARG A 132 5.523 -11.506 4.317 1.00 0.00 C ATOM 85 NH1 ARG A 132 6.268 -11.939 3.307 1.00 0.00 N ATOM 86 NH2 ARG A 132 5.792 -11.909 5.551 1.00 0.00 N ATOM 0 HA ARG A 132 0.548 -8.356 2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 132 2.694 -8.893 0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 132 3.383 -7.781 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 132 2.445 -9.281 3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 132 2.025 -10.434 2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.229 -10.984 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 132 4.832 -9.395 2.468 1.00 0.00 H new ATOM 0 HE ARG A 132 3.961 -10.361 4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 132 6.065 -11.633 2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 132 7.044 -12.578 3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 132 5.222 -11.580 6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 132 6.569 -12.548 5.721 1.00 0.00 H new ATOM 100 N GLU A 133 1.358 -6.404 3.843 1.00 0.00 N ATOM 101 CA GLU A 133 1.523 -5.175 4.612 1.00 0.00 C ATOM 102 C GLU A 133 2.887 -4.548 4.350 1.00 0.00 C ATOM 103 O GLU A 133 3.923 -5.177 4.564 1.00 0.00 O ATOM 104 CB GLU A 133 1.358 -5.459 6.106 1.00 0.00 C ATOM 105 CG GLU A 133 2.280 -6.552 6.624 1.00 0.00 C ATOM 106 CD GLU A 133 3.568 -6.001 7.203 1.00 0.00 C ATOM 107 OE1 GLU A 133 3.526 -4.914 7.816 1.00 0.00 O ATOM 108 OE2 GLU A 133 4.619 -6.658 7.044 1.00 0.00 O ATOM 0 H GLU A 133 1.190 -7.236 4.409 1.00 0.00 H new ATOM 0 HA GLU A 133 0.753 -4.471 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.546 -4.542 6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.324 -5.745 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.760 -7.129 7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.516 -7.239 5.811 1.00 0.00 H new ATOM 115 N GLY A 134 2.878 -3.302 3.886 1.00 0.00 N ATOM 116 CA GLY A 134 4.121 -2.608 3.603 1.00 0.00 C ATOM 117 C GLY A 134 4.451 -2.578 2.123 1.00 0.00 C ATOM 118 O GLY A 134 5.588 -2.296 1.741 1.00 0.00 O ATOM 0 H GLY A 134 2.033 -2.761 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.055 -1.586 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.934 -3.093 4.143 1.00 0.00 H new ATOM 122 N ASP A 135 3.459 -2.868 1.286 1.00 0.00 N ATOM 123 CA ASP A 135 3.657 -2.868 -0.159 1.00 0.00 C ATOM 124 C ASP A 135 3.867 -1.449 -0.680 1.00 0.00 C ATOM 125 O ASP A 135 3.462 -0.478 -0.042 1.00 0.00 O ATOM 126 CB ASP A 135 2.458 -3.510 -0.859 1.00 0.00 C ATOM 127 CG ASP A 135 2.874 -4.451 -1.974 1.00 0.00 C ATOM 128 OD1 ASP A 135 3.811 -4.104 -2.724 1.00 0.00 O ATOM 129 OD2 ASP A 135 2.263 -5.532 -2.099 1.00 0.00 O ATOM 0 H ASP A 135 2.513 -3.105 1.583 1.00 0.00 H new ATOM 0 HA ASP A 135 4.551 -3.451 -0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 135 1.864 -4.058 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 135 1.818 -2.728 -1.267 1.00 0.00 H new ATOM 134 N GLN A 136 4.504 -1.337 -1.840 1.00 0.00 N ATOM 135 CA GLN A 136 4.768 -0.036 -2.443 1.00 0.00 C ATOM 136 C GLN A 136 3.660 0.349 -3.418 1.00 0.00 C ATOM 137 O GLN A 136 3.259 -0.449 -4.266 1.00 0.00 O ATOM 138 CB GLN A 136 6.117 -0.050 -3.164 1.00 0.00 C ATOM 139 CG GLN A 136 7.286 0.337 -2.272 1.00 0.00 C ATOM 140 CD GLN A 136 7.851 -0.845 -1.509 1.00 0.00 C ATOM 141 OE1 GLN A 136 7.872 -0.851 -0.278 1.00 0.00 O ATOM 142 NE2 GLN A 136 8.314 -1.853 -2.239 1.00 0.00 N ATOM 0 H GLN A 136 4.847 -2.131 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 136 4.797 0.707 -1.646 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.293 -1.047 -3.568 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.074 0.635 -4.011 1.00 0.00 H new ATOM 0 HG2 GLN A 136 8.073 0.781 -2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 136 6.962 1.100 -1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.276 -1.805 -3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 136 8.707 -2.675 -1.782 1.00 0.00 H new ATOM 151 N VAL A 137 3.173 1.579 -3.293 1.00 0.00 N ATOM 152 CA VAL A 137 2.114 2.078 -4.160 1.00 0.00 C ATOM 153 C VAL A 137 2.358 3.535 -4.534 1.00 0.00 C ATOM 154 O VAL A 137 2.668 4.360 -3.675 1.00 0.00 O ATOM 155 CB VAL A 137 0.733 1.957 -3.487 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.309 0.499 -3.397 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.752 2.599 -2.109 1.00 0.00 C ATOM 0 H VAL A 137 3.497 2.250 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 137 2.124 1.465 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 137 0.004 2.487 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.668 0.433 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.252 0.074 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.039 -0.057 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.232 2.504 -1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.494 2.100 -1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 137 1.008 3.654 -2.203 1.00 0.00 H new ATOM 167 N ARG A 138 2.218 3.847 -5.819 1.00 0.00 N ATOM 168 CA ARG A 138 2.427 5.208 -6.300 1.00 0.00 C ATOM 169 C ARG A 138 1.204 6.076 -6.029 1.00 0.00 C ATOM 170 O ARG A 138 0.130 5.571 -5.702 1.00 0.00 O ATOM 171 CB ARG A 138 2.750 5.205 -7.797 1.00 0.00 C ATOM 172 CG ARG A 138 4.001 6.000 -8.151 1.00 0.00 C ATOM 173 CD ARG A 138 5.040 5.129 -8.840 1.00 0.00 C ATOM 174 NE ARG A 138 5.842 5.887 -9.798 1.00 0.00 N ATOM 175 CZ ARG A 138 6.981 5.447 -10.324 1.00 0.00 C ATOM 176 NH1 ARG A 138 7.459 4.253 -9.986 1.00 0.00 N ATOM 177 NH2 ARG A 138 7.647 6.198 -11.190 1.00 0.00 N ATOM 0 H ARG A 138 1.961 3.177 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 138 3.274 5.629 -5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 138 2.877 4.175 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.901 5.615 -8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.732 6.832 -8.802 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.428 6.430 -7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.695 4.685 -8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.541 4.308 -9.355 1.00 0.00 H new ATOM 0 HE ARG A 138 5.508 6.809 -10.080 1.00 0.00 H new ATOM 0 HH11 ARG A 138 6.951 3.670 -9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.333 3.920 -10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.286 7.115 -11.454 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.521 5.859 -11.593 1.00 0.00 H new ATOM 191 N VAL A 139 1.377 7.386 -6.164 1.00 0.00 N ATOM 192 CA VAL A 139 0.293 8.334 -5.934 1.00 0.00 C ATOM 193 C VAL A 139 -0.636 8.406 -7.144 1.00 0.00 C ATOM 194 O VAL A 139 -0.317 7.883 -8.212 1.00 0.00 O ATOM 195 CB VAL A 139 0.843 9.740 -5.625 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.248 10.642 -5.069 1.00 0.00 C ATOM 197 CG2 VAL A 139 2.013 9.654 -4.656 1.00 0.00 C ATOM 0 H VAL A 139 2.261 7.817 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.272 7.978 -5.073 1.00 0.00 H new ATOM 0 HB VAL A 139 1.198 10.177 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.167 11.628 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.051 10.734 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.642 10.211 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.389 10.656 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.682 9.192 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.808 9.053 -5.098 1.00 0.00 H new ATOM 207 N VAL A 140 -1.792 9.040 -6.969 1.00 0.00 N ATOM 208 CA VAL A 140 -2.768 9.160 -8.048 1.00 0.00 C ATOM 209 C VAL A 140 -2.398 10.270 -9.035 1.00 0.00 C ATOM 210 O VAL A 140 -2.183 10.003 -10.218 1.00 0.00 O ATOM 211 CB VAL A 140 -4.195 9.402 -7.496 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.218 10.553 -6.498 1.00 0.00 C ATOM 213 CG2 VAL A 140 -5.179 9.654 -8.631 1.00 0.00 C ATOM 0 H VAL A 140 -2.076 9.478 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.755 8.211 -8.583 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.502 8.499 -6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.234 10.696 -6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.559 10.322 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -3.878 11.466 -6.987 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -6.174 9.821 -8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.867 10.533 -9.195 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -5.201 8.788 -9.293 1.00 0.00 H new ATOM 223 N SER A 141 -2.329 11.512 -8.560 1.00 0.00 N ATOM 224 CA SER A 141 -1.991 12.636 -9.425 1.00 0.00 C ATOM 225 C SER A 141 -1.509 13.834 -8.612 1.00 0.00 C ATOM 226 O SER A 141 -1.167 13.701 -7.436 1.00 0.00 O ATOM 227 CB SER A 141 -3.202 13.031 -10.273 1.00 0.00 C ATOM 228 OG SER A 141 -4.147 13.758 -9.506 1.00 0.00 O ATOM 0 H SER A 141 -2.502 11.763 -7.587 1.00 0.00 H new ATOM 0 HA SER A 141 -1.179 12.323 -10.082 1.00 0.00 H new ATOM 0 HB2 SER A 141 -2.875 13.634 -11.120 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.672 12.136 -10.681 1.00 0.00 H new ATOM 0 HG SER A 141 -4.910 14.000 -10.071 1.00 0.00 H new ATOM 234 N GLY A 142 -1.486 15.004 -9.245 1.00 0.00 N ATOM 235 CA GLY A 142 -1.049 16.209 -8.567 1.00 0.00 C ATOM 236 C GLY A 142 0.462 16.290 -8.452 1.00 0.00 C ATOM 237 O GLY A 142 1.177 15.508 -9.077 1.00 0.00 O ATOM 0 H GLY A 142 -1.763 15.137 -10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.417 17.081 -9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -1.489 16.242 -7.570 1.00 0.00 H new ATOM 241 N PRO A 143 0.983 17.231 -7.646 1.00 0.00 N ATOM 242 CA PRO A 143 2.427 17.394 -7.455 1.00 0.00 C ATOM 243 C PRO A 143 3.076 16.136 -6.887 1.00 0.00 C ATOM 244 O PRO A 143 4.290 15.956 -6.979 1.00 0.00 O ATOM 245 CB PRO A 143 2.538 18.554 -6.458 1.00 0.00 C ATOM 246 CG PRO A 143 1.196 18.646 -5.814 1.00 0.00 C ATOM 247 CD PRO A 143 0.210 18.202 -6.855 1.00 0.00 C ATOM 0 HA PRO A 143 2.942 17.584 -8.397 1.00 0.00 H new ATOM 0 HB2 PRO A 143 3.317 18.365 -5.719 1.00 0.00 H new ATOM 0 HB3 PRO A 143 2.797 19.484 -6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 143 1.143 18.011 -4.929 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.988 19.665 -5.488 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -0.673 17.747 -6.407 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.136 19.036 -7.465 1.00 0.00 H new ATOM 255 N PHE A 144 2.258 15.265 -6.304 1.00 0.00 N ATOM 256 CA PHE A 144 2.750 14.022 -5.722 1.00 0.00 C ATOM 257 C PHE A 144 2.586 12.857 -6.695 1.00 0.00 C ATOM 258 O PHE A 144 2.645 11.698 -6.292 1.00 0.00 O ATOM 259 CB PHE A 144 2.002 13.702 -4.424 1.00 0.00 C ATOM 260 CG PHE A 144 1.626 14.913 -3.617 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.600 15.770 -3.130 1.00 0.00 C ATOM 262 CD2 PHE A 144 0.297 15.191 -3.347 1.00 0.00 C ATOM 263 CE1 PHE A 144 2.255 16.882 -2.387 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.055 16.302 -2.605 1.00 0.00 C ATOM 265 CZ PHE A 144 0.924 17.149 -2.123 1.00 0.00 C ATOM 0 H PHE A 144 1.250 15.398 -6.222 1.00 0.00 H new ATOM 0 HA PHE A 144 3.810 14.158 -5.507 1.00 0.00 H new ATOM 0 HB2 PHE A 144 1.097 13.145 -4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.623 13.049 -3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.641 15.566 -3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.473 14.532 -3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 144 3.024 17.542 -2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.095 16.508 -2.402 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.651 18.017 -1.542 1.00 0.00 H new ATOM 275 N ALA A 145 2.375 13.163 -7.973 1.00 0.00 N ATOM 276 CA ALA A 145 2.192 12.125 -8.986 1.00 0.00 C ATOM 277 C ALA A 145 3.522 11.536 -9.454 1.00 0.00 C ATOM 278 O ALA A 145 3.700 11.252 -10.639 1.00 0.00 O ATOM 279 CB ALA A 145 1.415 12.679 -10.169 1.00 0.00 C ATOM 0 H ALA A 145 2.327 14.117 -8.331 1.00 0.00 H new ATOM 0 HA ALA A 145 1.624 11.316 -8.526 1.00 0.00 H new ATOM 0 HB1 ALA A 145 1.285 11.897 -10.917 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.438 13.026 -9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.964 13.512 -10.607 1.00 0.00 H new ATOM 285 N ASP A 146 4.447 11.344 -8.521 1.00 0.00 N ATOM 286 CA ASP A 146 5.750 10.777 -8.844 1.00 0.00 C ATOM 287 C ASP A 146 6.424 10.229 -7.593 1.00 0.00 C ATOM 288 O ASP A 146 7.645 10.294 -7.451 1.00 0.00 O ATOM 289 CB ASP A 146 6.643 11.825 -9.510 1.00 0.00 C ATOM 290 CG ASP A 146 7.618 11.212 -10.498 1.00 0.00 C ATOM 291 OD1 ASP A 146 7.878 9.994 -10.396 1.00 0.00 O ATOM 292 OD2 ASP A 146 8.117 11.948 -11.374 1.00 0.00 O ATOM 0 H ASP A 146 4.319 11.573 -7.535 1.00 0.00 H new ATOM 0 HA ASP A 146 5.598 9.955 -9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 146 6.019 12.555 -10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.199 12.365 -8.743 1.00 0.00 H new ATOM 297 N PHE A 147 5.617 9.692 -6.691 1.00 0.00 N ATOM 298 CA PHE A 147 6.124 9.131 -5.444 1.00 0.00 C ATOM 299 C PHE A 147 5.288 7.934 -5.013 1.00 0.00 C ATOM 300 O PHE A 147 4.154 7.763 -5.459 1.00 0.00 O ATOM 301 CB PHE A 147 6.123 10.194 -4.343 1.00 0.00 C ATOM 302 CG PHE A 147 6.675 11.519 -4.784 1.00 0.00 C ATOM 303 CD1 PHE A 147 8.016 11.651 -5.108 1.00 0.00 C ATOM 304 CD2 PHE A 147 5.856 12.633 -4.872 1.00 0.00 C ATOM 305 CE1 PHE A 147 8.528 12.868 -5.514 1.00 0.00 C ATOM 306 CE2 PHE A 147 6.363 13.853 -5.276 1.00 0.00 C ATOM 307 CZ PHE A 147 7.701 13.971 -5.598 1.00 0.00 C ATOM 0 H PHE A 147 4.604 9.632 -6.798 1.00 0.00 H new ATOM 0 HA PHE A 147 7.148 8.797 -5.612 1.00 0.00 H new ATOM 0 HB2 PHE A 147 5.102 10.336 -3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.707 9.830 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.668 10.793 -5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 147 4.809 12.547 -4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 147 9.575 12.957 -5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 147 5.714 14.714 -5.340 1.00 0.00 H new ATOM 0 HZ PHE A 147 8.100 14.923 -5.915 1.00 0.00 H new ATOM 317 N THR A 148 5.854 7.104 -4.143 1.00 0.00 N ATOM 318 CA THR A 148 5.156 5.922 -3.655 1.00 0.00 C ATOM 319 C THR A 148 4.998 5.968 -2.140 1.00 0.00 C ATOM 320 O THR A 148 5.540 6.852 -1.476 1.00 0.00 O ATOM 321 CB THR A 148 5.908 4.654 -4.064 1.00 0.00 C ATOM 322 OG1 THR A 148 7.307 4.836 -3.933 1.00 0.00 O ATOM 323 CG2 THR A 148 5.632 4.229 -5.491 1.00 0.00 C ATOM 0 H THR A 148 6.792 7.228 -3.763 1.00 0.00 H new ATOM 0 HA THR A 148 4.163 5.907 -4.104 1.00 0.00 H new ATOM 0 HB THR A 148 5.547 3.875 -3.393 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.770 4.014 -4.198 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.196 3.324 -5.717 1.00 0.00 H new ATOM 0 HG22 THR A 148 4.567 4.033 -5.613 1.00 0.00 H new ATOM 0 HG23 THR A 148 5.934 5.024 -6.172 1.00 0.00 H new ATOM 331 N GLY A 149 4.250 5.013 -1.598 1.00 0.00 N ATOM 332 CA GLY A 149 4.033 4.967 -0.165 1.00 0.00 C ATOM 333 C GLY A 149 4.102 3.557 0.389 1.00 0.00 C ATOM 334 O GLY A 149 3.949 2.583 -0.348 1.00 0.00 O ATOM 0 H GLY A 149 3.791 4.271 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.780 5.586 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 149 3.058 5.397 0.065 1.00 0.00 H new ATOM 338 N THR A 150 4.328 3.449 1.693 1.00 0.00 N ATOM 339 CA THR A 150 4.417 2.151 2.353 1.00 0.00 C ATOM 340 C THR A 150 3.202 1.912 3.244 1.00 0.00 C ATOM 341 O THR A 150 3.045 2.557 4.282 1.00 0.00 O ATOM 342 CB THR A 150 5.698 2.064 3.184 1.00 0.00 C ATOM 343 OG1 THR A 150 6.787 2.648 2.491 1.00 0.00 O ATOM 344 CG2 THR A 150 6.086 0.645 3.538 1.00 0.00 C ATOM 0 H THR A 150 4.453 4.247 2.316 1.00 0.00 H new ATOM 0 HA THR A 150 4.440 1.380 1.583 1.00 0.00 H new ATOM 0 HB THR A 150 5.482 2.605 4.105 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.591 2.105 2.628 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.003 0.655 4.127 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.287 0.183 4.118 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.248 0.073 2.624 1.00 0.00 H new ATOM 352 N VAL A 151 2.347 0.982 2.834 1.00 0.00 N ATOM 353 CA VAL A 151 1.147 0.659 3.596 1.00 0.00 C ATOM 354 C VAL A 151 1.501 0.166 4.996 1.00 0.00 C ATOM 355 O VAL A 151 1.858 -0.997 5.184 1.00 0.00 O ATOM 356 CB VAL A 151 0.303 -0.417 2.883 1.00 0.00 C ATOM 357 CG1 VAL A 151 -1.015 -0.635 3.612 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.060 -0.030 1.432 1.00 0.00 C ATOM 0 H VAL A 151 2.463 0.439 1.978 1.00 0.00 H new ATOM 0 HA VAL A 151 0.564 1.577 3.674 1.00 0.00 H new ATOM 0 HB VAL A 151 0.858 -1.355 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.596 -1.398 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.816 -0.962 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.578 0.298 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.537 -0.801 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.473 0.920 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.015 0.068 0.917 1.00 0.00 H new ATOM 368 N THR A 152 1.395 1.059 5.974 1.00 0.00 N ATOM 369 CA THR A 152 1.701 0.715 7.359 1.00 0.00 C ATOM 370 C THR A 152 0.452 0.225 8.082 1.00 0.00 C ATOM 371 O THR A 152 0.509 -0.712 8.879 1.00 0.00 O ATOM 372 CB THR A 152 2.289 1.924 8.089 1.00 0.00 C ATOM 373 OG1 THR A 152 1.781 3.130 7.548 1.00 0.00 O ATOM 374 CG2 THR A 152 3.799 1.987 8.018 1.00 0.00 C ATOM 0 H THR A 152 1.100 2.025 5.834 1.00 0.00 H new ATOM 0 HA THR A 152 2.437 -0.089 7.356 1.00 0.00 H new ATOM 0 HB THR A 152 1.996 1.805 9.132 1.00 0.00 H new ATOM 0 HG1 THR A 152 2.167 3.892 8.028 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.152 2.867 8.555 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.222 1.091 8.472 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.112 2.048 6.976 1.00 0.00 H new ATOM 382 N GLU A 153 -0.677 0.865 7.798 1.00 0.00 N ATOM 383 CA GLU A 153 -1.945 0.496 8.419 1.00 0.00 C ATOM 384 C GLU A 153 -3.047 0.384 7.370 1.00 0.00 C ATOM 385 O GLU A 153 -2.982 1.017 6.317 1.00 0.00 O ATOM 386 CB GLU A 153 -2.335 1.524 9.483 1.00 0.00 C ATOM 387 CG GLU A 153 -2.042 1.069 10.904 1.00 0.00 C ATOM 388 CD GLU A 153 -0.558 0.979 11.194 1.00 0.00 C ATOM 389 OE1 GLU A 153 0.120 2.027 11.154 1.00 0.00 O ATOM 390 OE2 GLU A 153 -0.073 -0.141 11.458 1.00 0.00 O ATOM 0 H GLU A 153 -0.741 1.643 7.141 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.821 -0.476 8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -1.801 2.454 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.399 1.743 9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -2.504 1.763 11.606 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -2.501 0.094 11.071 1.00 0.00 H new ATOM 397 N ILE A 154 -4.059 -0.425 7.667 1.00 0.00 N ATOM 398 CA ILE A 154 -5.175 -0.617 6.747 1.00 0.00 C ATOM 399 C ILE A 154 -6.469 -0.891 7.504 1.00 0.00 C ATOM 400 O ILE A 154 -6.489 -1.664 8.462 1.00 0.00 O ATOM 401 CB ILE A 154 -4.906 -1.782 5.775 1.00 0.00 C ATOM 402 CG1 ILE A 154 -4.585 -3.061 6.550 1.00 0.00 C ATOM 403 CG2 ILE A 154 -3.767 -1.430 4.829 1.00 0.00 C ATOM 404 CD1 ILE A 154 -4.421 -4.277 5.666 1.00 0.00 C ATOM 0 H ILE A 154 -4.130 -0.957 8.535 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.279 0.306 6.177 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.805 -1.955 5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.669 -2.910 7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.381 -3.250 7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.589 -2.263 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -4.032 -0.542 4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -2.863 -1.233 5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -4.195 -5.147 6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -5.345 -4.453 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.605 -4.108 4.963 1.00 0.00 H new ATOM 416 N ASN A 155 -7.549 -0.253 7.067 1.00 0.00 N ATOM 417 CA ASN A 155 -8.850 -0.428 7.701 1.00 0.00 C ATOM 418 C ASN A 155 -9.833 -1.107 6.749 1.00 0.00 C ATOM 419 O ASN A 155 -10.550 -0.439 6.005 1.00 0.00 O ATOM 420 CB ASN A 155 -9.406 0.926 8.151 1.00 0.00 C ATOM 421 CG ASN A 155 -9.905 0.898 9.583 1.00 0.00 C ATOM 422 OD1 ASN A 155 -9.194 1.293 10.507 1.00 0.00 O ATOM 423 ND2 ASN A 155 -11.132 0.429 9.773 1.00 0.00 N ATOM 0 H ASN A 155 -7.549 0.391 6.276 1.00 0.00 H new ATOM 0 HA ASN A 155 -8.720 -1.067 8.574 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.630 1.685 8.054 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.222 1.219 7.490 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -11.521 0.385 10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -11.686 0.112 8.977 1.00 0.00 H new ATOM 430 N PRO A 156 -9.878 -2.451 6.758 1.00 0.00 N ATOM 431 CA PRO A 156 -10.779 -3.216 5.890 1.00 0.00 C ATOM 432 C PRO A 156 -12.244 -3.033 6.268 1.00 0.00 C ATOM 433 O PRO A 156 -13.133 -3.173 5.428 1.00 0.00 O ATOM 434 CB PRO A 156 -10.346 -4.668 6.115 1.00 0.00 C ATOM 435 CG PRO A 156 -9.711 -4.671 7.462 1.00 0.00 C ATOM 436 CD PRO A 156 -9.057 -3.328 7.614 1.00 0.00 C ATOM 0 HA PRO A 156 -10.711 -2.894 4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.199 -5.345 6.078 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -9.646 -4.996 5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -10.454 -4.834 8.243 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -8.978 -5.474 7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.060 -2.994 8.652 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.017 -3.348 7.289 1.00 0.00 H new ATOM 444 N GLU A 157 -12.490 -2.718 7.535 1.00 0.00 N ATOM 445 CA GLU A 157 -13.850 -2.516 8.022 1.00 0.00 C ATOM 446 C GLU A 157 -14.535 -1.383 7.265 1.00 0.00 C ATOM 447 O GLU A 157 -15.749 -1.405 7.059 1.00 0.00 O ATOM 448 CB GLU A 157 -13.836 -2.212 9.523 1.00 0.00 C ATOM 449 CG GLU A 157 -14.513 -3.281 10.366 1.00 0.00 C ATOM 450 CD GLU A 157 -16.001 -3.036 10.530 1.00 0.00 C ATOM 451 OE1 GLU A 157 -16.369 -2.080 11.244 1.00 0.00 O ATOM 452 OE2 GLU A 157 -16.796 -3.802 9.947 1.00 0.00 O ATOM 0 H GLU A 157 -11.766 -2.597 8.243 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.413 -3.434 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -12.803 -2.101 9.853 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -14.331 -1.257 9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -14.357 -4.256 9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -14.043 -3.315 11.349 1.00 0.00 H new ATOM 459 N ARG A 158 -13.751 -0.392 6.852 1.00 0.00 N ATOM 460 CA ARG A 158 -14.283 0.749 6.117 1.00 0.00 C ATOM 461 C ARG A 158 -13.749 0.773 4.688 1.00 0.00 C ATOM 462 O ARG A 158 -14.505 0.967 3.735 1.00 0.00 O ATOM 463 CB ARG A 158 -13.924 2.054 6.831 1.00 0.00 C ATOM 464 CG ARG A 158 -14.992 2.531 7.800 1.00 0.00 C ATOM 465 CD ARG A 158 -14.406 3.418 8.885 1.00 0.00 C ATOM 466 NE ARG A 158 -15.436 4.169 9.598 1.00 0.00 N ATOM 467 CZ ARG A 158 -16.293 3.618 10.456 1.00 0.00 C ATOM 468 NH1 ARG A 158 -16.247 2.317 10.709 1.00 0.00 N ATOM 469 NH2 ARG A 158 -17.201 4.372 11.060 1.00 0.00 N ATOM 0 H ARG A 158 -12.745 -0.357 7.014 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.368 0.651 6.078 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.989 1.916 7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -13.749 2.830 6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -15.759 3.081 7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -15.480 1.670 8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -13.850 2.804 9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -13.695 4.113 8.439 1.00 0.00 H new ATOM 0 HE ARG A 158 -15.503 5.173 9.429 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -15.552 1.732 10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -16.906 1.902 11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -17.243 5.373 10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -17.858 3.951 11.717 1.00 0.00 H new ATOM 483 N GLY A 159 -12.443 0.576 4.545 1.00 0.00 N ATOM 484 CA GLY A 159 -11.830 0.579 3.230 1.00 0.00 C ATOM 485 C GLY A 159 -10.791 1.672 3.077 1.00 0.00 C ATOM 486 O GLY A 159 -10.753 2.363 2.059 1.00 0.00 O ATOM 0 H GLY A 159 -11.797 0.414 5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.364 -0.389 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -12.603 0.708 2.472 1.00 0.00 H new ATOM 490 N LYS A 160 -9.943 1.826 4.089 1.00 0.00 N ATOM 491 CA LYS A 160 -8.898 2.842 4.064 1.00 0.00 C ATOM 492 C LYS A 160 -7.516 2.203 4.157 1.00 0.00 C ATOM 493 O LYS A 160 -7.388 1.024 4.490 1.00 0.00 O ATOM 494 CB LYS A 160 -9.091 3.832 5.215 1.00 0.00 C ATOM 495 CG LYS A 160 -10.062 4.957 4.892 1.00 0.00 C ATOM 496 CD LYS A 160 -9.373 6.312 4.907 1.00 0.00 C ATOM 497 CE LYS A 160 -10.260 7.380 5.527 1.00 0.00 C ATOM 498 NZ LYS A 160 -10.094 8.699 4.855 1.00 0.00 N ATOM 0 H LYS A 160 -9.960 1.259 4.937 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.970 3.377 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.451 3.293 6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.125 4.262 5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -10.506 4.785 3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -10.877 4.954 5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -8.441 6.241 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -9.112 6.600 3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -11.303 7.068 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -10.022 7.480 6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -10.716 9.400 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -9.105 9.009 4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -10.346 8.611 3.850 1.00 0.00 H new ATOM 512 N VAL A 161 -6.484 2.986 3.860 1.00 0.00 N ATOM 513 CA VAL A 161 -5.113 2.494 3.911 1.00 0.00 C ATOM 514 C VAL A 161 -4.127 3.640 4.116 1.00 0.00 C ATOM 515 O VAL A 161 -4.167 4.640 3.402 1.00 0.00 O ATOM 516 CB VAL A 161 -4.737 1.733 2.626 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.398 0.363 2.604 1.00 0.00 C ATOM 518 CG2 VAL A 161 -5.126 2.539 1.395 1.00 0.00 C ATOM 0 H VAL A 161 -6.572 3.963 3.582 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.055 1.809 4.757 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.656 1.591 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -5.121 -0.160 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.066 -0.215 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.481 0.481 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.853 1.986 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -6.202 2.714 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.602 3.495 1.406 1.00 0.00 H new ATOM 528 N LYS A 162 -3.243 3.484 5.096 1.00 0.00 N ATOM 529 CA LYS A 162 -2.247 4.506 5.393 1.00 0.00 C ATOM 530 C LYS A 162 -0.895 4.144 4.784 1.00 0.00 C ATOM 531 O LYS A 162 -0.344 3.080 5.062 1.00 0.00 O ATOM 532 CB LYS A 162 -2.106 4.683 6.906 1.00 0.00 C ATOM 533 CG LYS A 162 -1.157 5.802 7.299 1.00 0.00 C ATOM 534 CD LYS A 162 -0.892 5.811 8.796 1.00 0.00 C ATOM 535 CE LYS A 162 -2.145 6.163 9.581 1.00 0.00 C ATOM 536 NZ LYS A 162 -2.844 4.950 10.087 1.00 0.00 N ATOM 0 H LYS A 162 -3.196 2.661 5.697 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.583 5.445 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.088 4.883 7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.753 3.748 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.215 5.686 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.579 6.761 6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -0.529 4.832 9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -0.105 6.530 9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -1.879 6.805 10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -2.823 6.734 8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -3.432 5.205 10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -3.448 4.558 9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -2.142 4.238 10.373 1.00 0.00 H new ATOM 550 N VAL A 163 -0.369 5.037 3.953 1.00 0.00 N ATOM 551 CA VAL A 163 0.915 4.814 3.304 1.00 0.00 C ATOM 552 C VAL A 163 1.889 5.948 3.608 1.00 0.00 C ATOM 553 O VAL A 163 1.511 7.119 3.615 1.00 0.00 O ATOM 554 CB VAL A 163 0.758 4.686 1.774 1.00 0.00 C ATOM 555 CG1 VAL A 163 -0.036 3.438 1.420 1.00 0.00 C ATOM 556 CG2 VAL A 163 0.098 5.931 1.199 1.00 0.00 C ATOM 0 H VAL A 163 -0.814 5.923 3.713 1.00 0.00 H new ATOM 0 HA VAL A 163 1.311 3.880 3.702 1.00 0.00 H new ATOM 0 HB VAL A 163 1.750 4.593 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -0.136 3.365 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.484 2.557 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.026 3.496 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -0.004 5.823 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.888 6.060 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.713 6.804 1.419 1.00 0.00 H new ATOM 566 N MET A 164 3.145 5.594 3.860 1.00 0.00 N ATOM 567 CA MET A 164 4.170 6.585 4.165 1.00 0.00 C ATOM 568 C MET A 164 4.892 7.028 2.893 1.00 0.00 C ATOM 569 O MET A 164 5.694 6.285 2.329 1.00 0.00 O ATOM 570 CB MET A 164 5.170 6.029 5.185 1.00 0.00 C ATOM 571 CG MET A 164 6.081 4.943 4.633 1.00 0.00 C ATOM 572 SD MET A 164 7.742 5.545 4.271 1.00 0.00 S ATOM 573 CE MET A 164 8.737 4.197 4.904 1.00 0.00 C ATOM 0 H MET A 164 3.477 4.630 3.859 1.00 0.00 H new ATOM 0 HA MET A 164 3.681 7.457 4.601 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.784 6.848 5.559 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.620 5.629 6.036 1.00 0.00 H new ATOM 0 HG2 MET A 164 6.144 4.127 5.353 1.00 0.00 H new ATOM 0 HG3 MET A 164 5.641 4.533 3.724 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.793 4.422 4.752 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.542 4.070 5.969 1.00 0.00 H new ATOM 0 HE3 MET A 164 8.482 3.278 4.376 1.00 0.00 H new ATOM 583 N VAL A 165 4.596 8.244 2.444 1.00 0.00 N ATOM 584 CA VAL A 165 5.215 8.783 1.239 1.00 0.00 C ATOM 585 C VAL A 165 6.499 9.535 1.571 1.00 0.00 C ATOM 586 O VAL A 165 6.772 9.835 2.733 1.00 0.00 O ATOM 587 CB VAL A 165 4.260 9.730 0.489 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.130 8.946 -0.163 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.708 10.790 1.432 1.00 0.00 C ATOM 0 H VAL A 165 3.933 8.873 2.896 1.00 0.00 H new ATOM 0 HA VAL A 165 5.448 7.933 0.598 1.00 0.00 H new ATOM 0 HB VAL A 165 4.822 10.233 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.466 9.633 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 165 3.546 8.230 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 165 2.568 8.413 0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 165 3.035 11.450 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 165 3.162 10.307 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 165 4.531 11.373 1.846 1.00 0.00 H new ATOM 599 N THR A 166 7.285 9.837 0.542 1.00 0.00 N ATOM 600 CA THR A 166 8.542 10.553 0.726 1.00 0.00 C ATOM 601 C THR A 166 8.640 11.736 -0.232 1.00 0.00 C ATOM 602 O THR A 166 9.095 11.594 -1.366 1.00 0.00 O ATOM 603 CB THR A 166 9.725 9.609 0.510 1.00 0.00 C ATOM 604 OG1 THR A 166 9.471 8.344 1.092 1.00 0.00 O ATOM 605 CG2 THR A 166 11.019 10.132 1.094 1.00 0.00 C ATOM 0 H THR A 166 7.074 9.597 -0.427 1.00 0.00 H new ATOM 0 HA THR A 166 8.569 10.933 1.747 1.00 0.00 H new ATOM 0 HB THR A 166 9.838 9.529 -0.571 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.239 7.754 0.941 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.819 9.415 0.907 1.00 0.00 H new ATOM 0 HG22 THR A 166 11.269 11.085 0.628 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.903 10.273 2.169 1.00 0.00 H new ATOM 613 N ILE A 167 8.211 12.905 0.234 1.00 0.00 N ATOM 614 CA ILE A 167 8.252 14.114 -0.582 1.00 0.00 C ATOM 615 C ILE A 167 9.474 14.961 -0.240 1.00 0.00 C ATOM 616 O ILE A 167 9.590 15.479 0.871 1.00 0.00 O ATOM 617 CB ILE A 167 6.983 14.965 -0.396 1.00 0.00 C ATOM 618 CG1 ILE A 167 5.732 14.098 -0.555 1.00 0.00 C ATOM 619 CG2 ILE A 167 6.967 16.115 -1.391 1.00 0.00 C ATOM 620 CD1 ILE A 167 5.255 13.483 0.742 1.00 0.00 C ATOM 0 H ILE A 167 7.831 13.041 1.171 1.00 0.00 H new ATOM 0 HA ILE A 167 8.311 13.793 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 167 6.987 15.381 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 167 4.930 14.705 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 167 5.940 13.302 -1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 167 6.064 16.708 -1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 167 7.843 16.744 -1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 167 6.983 15.718 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 167 4.365 12.882 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 167 6.040 12.850 1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 167 5.015 14.274 1.453 1.00 0.00 H new ATOM 632 N PHE A 168 10.380 15.098 -1.202 1.00 0.00 N ATOM 633 CA PHE A 168 11.595 15.882 -1.003 1.00 0.00 C ATOM 634 C PHE A 168 12.453 15.284 0.107 1.00 0.00 C ATOM 635 O PHE A 168 13.179 15.998 0.800 1.00 0.00 O ATOM 636 CB PHE A 168 11.239 17.334 -0.667 1.00 0.00 C ATOM 637 CG PHE A 168 11.389 18.271 -1.830 1.00 0.00 C ATOM 638 CD1 PHE A 168 10.527 18.193 -2.914 1.00 0.00 C ATOM 639 CD2 PHE A 168 12.389 19.229 -1.841 1.00 0.00 C ATOM 640 CE1 PHE A 168 10.663 19.054 -3.986 1.00 0.00 C ATOM 641 CE2 PHE A 168 12.528 20.092 -2.911 1.00 0.00 C ATOM 642 CZ PHE A 168 11.664 20.005 -3.985 1.00 0.00 C ATOM 0 H PHE A 168 10.297 14.677 -2.127 1.00 0.00 H new ATOM 0 HA PHE A 168 12.169 15.861 -1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 168 10.210 17.374 -0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 168 11.875 17.676 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 168 9.742 17.452 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 168 13.068 19.302 -1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 168 9.986 18.983 -4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 168 13.312 20.835 -2.908 1.00 0.00 H new ATOM 0 HZ PHE A 168 11.771 20.679 -4.822 1.00 0.00 H new ATOM 652 N GLY A 169 12.368 13.967 0.271 1.00 0.00 N ATOM 653 CA GLY A 169 13.143 13.296 1.297 1.00 0.00 C ATOM 654 C GLY A 169 12.571 13.503 2.686 1.00 0.00 C ATOM 655 O GLY A 169 13.270 13.962 3.589 1.00 0.00 O ATOM 0 H GLY A 169 11.776 13.353 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.181 12.229 1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.169 13.664 1.272 1.00 0.00 H new ATOM 659 N ARG A 170 11.297 13.165 2.856 1.00 0.00 N ATOM 660 CA ARG A 170 10.632 13.318 4.145 1.00 0.00 C ATOM 661 C ARG A 170 9.424 12.393 4.250 1.00 0.00 C ATOM 662 O ARG A 170 8.473 12.509 3.476 1.00 0.00 O ATOM 663 CB ARG A 170 10.196 14.770 4.349 1.00 0.00 C ATOM 664 CG ARG A 170 11.257 15.639 5.005 1.00 0.00 C ATOM 665 CD ARG A 170 11.886 16.602 4.012 1.00 0.00 C ATOM 666 NE ARG A 170 12.131 17.916 4.602 1.00 0.00 N ATOM 667 CZ ARG A 170 12.427 19.004 3.895 1.00 0.00 C ATOM 668 NH1 ARG A 170 12.522 18.938 2.572 1.00 0.00 N ATOM 669 NH2 ARG A 170 12.634 20.159 4.510 1.00 0.00 N ATOM 0 H ARG A 170 10.705 12.784 2.118 1.00 0.00 H new ATOM 0 HA ARG A 170 11.343 13.046 4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 170 9.933 15.200 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 170 9.295 14.787 4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 170 10.811 16.202 5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 170 12.031 15.005 5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 170 12.826 16.186 3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 170 11.231 16.710 3.147 1.00 0.00 H new ATOM 0 HE ARG A 170 12.072 18.005 5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 170 12.368 18.051 2.093 1.00 0.00 H new ATOM 0 HH12 ARG A 170 12.749 19.775 2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 170 12.567 20.215 5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 170 12.861 20.992 3.967 1.00 0.00 H new ATOM 683 N GLU A 171 9.469 11.476 5.210 1.00 0.00 N ATOM 684 CA GLU A 171 8.374 10.532 5.415 1.00 0.00 C ATOM 685 C GLU A 171 7.113 11.256 5.872 1.00 0.00 C ATOM 686 O GLU A 171 7.111 11.930 6.904 1.00 0.00 O ATOM 687 CB GLU A 171 8.773 9.474 6.445 1.00 0.00 C ATOM 688 CG GLU A 171 9.725 8.422 5.901 1.00 0.00 C ATOM 689 CD GLU A 171 11.160 8.654 6.335 1.00 0.00 C ATOM 690 OE1 GLU A 171 11.367 9.115 7.477 1.00 0.00 O ATOM 691 OE2 GLU A 171 12.075 8.376 5.532 1.00 0.00 O ATOM 0 H GLU A 171 10.249 11.365 5.858 1.00 0.00 H new ATOM 0 HA GLU A 171 8.165 10.041 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 171 9.239 9.967 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 171 7.873 8.981 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.402 7.437 6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 171 9.674 8.420 4.812 1.00 0.00 H new ATOM 698 N THR A 172 6.041 11.116 5.099 1.00 0.00 N ATOM 699 CA THR A 172 4.773 11.759 5.426 1.00 0.00 C ATOM 700 C THR A 172 3.620 10.761 5.354 1.00 0.00 C ATOM 701 O THR A 172 3.000 10.591 4.303 1.00 0.00 O ATOM 702 CB THR A 172 4.510 12.925 4.473 1.00 0.00 C ATOM 703 OG1 THR A 172 5.636 13.783 4.405 1.00 0.00 O ATOM 704 CG2 THR A 172 3.318 13.768 4.873 1.00 0.00 C ATOM 0 H THR A 172 6.025 10.563 4.242 1.00 0.00 H new ATOM 0 HA THR A 172 4.839 12.137 6.446 1.00 0.00 H new ATOM 0 HB THR A 172 4.304 12.465 3.507 1.00 0.00 H new ATOM 0 HG1 THR A 172 5.448 14.521 3.789 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.187 14.578 4.155 1.00 0.00 H new ATOM 0 HG22 THR A 172 2.422 13.148 4.887 1.00 0.00 H new ATOM 0 HG23 THR A 172 3.485 14.187 5.865 1.00 0.00 H new ATOM 712 N PRO A 173 3.315 10.083 6.476 1.00 0.00 N ATOM 713 CA PRO A 173 2.228 9.100 6.530 1.00 0.00 C ATOM 714 C PRO A 173 0.856 9.749 6.389 1.00 0.00 C ATOM 715 O PRO A 173 0.327 10.321 7.344 1.00 0.00 O ATOM 716 CB PRO A 173 2.382 8.470 7.917 1.00 0.00 C ATOM 717 CG PRO A 173 3.087 9.504 8.727 1.00 0.00 C ATOM 718 CD PRO A 173 4.000 10.222 7.774 1.00 0.00 C ATOM 0 HA PRO A 173 2.289 8.380 5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.412 8.222 8.349 1.00 0.00 H new ATOM 0 HB3 PRO A 173 2.956 7.545 7.870 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.377 10.194 9.183 1.00 0.00 H new ATOM 0 HG3 PRO A 173 3.652 9.046 9.539 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.128 11.268 8.051 1.00 0.00 H new ATOM 0 HD3 PRO A 173 4.993 9.774 7.754 1.00 0.00 H new ATOM 726 N VAL A 174 0.284 9.660 5.192 1.00 0.00 N ATOM 727 CA VAL A 174 -1.025 10.242 4.925 1.00 0.00 C ATOM 728 C VAL A 174 -2.078 9.158 4.721 1.00 0.00 C ATOM 729 O VAL A 174 -1.827 8.149 4.063 1.00 0.00 O ATOM 730 CB VAL A 174 -0.993 11.146 3.680 1.00 0.00 C ATOM 731 CG1 VAL A 174 -0.092 12.347 3.913 1.00 0.00 C ATOM 732 CG2 VAL A 174 -0.538 10.359 2.459 1.00 0.00 C ATOM 0 H VAL A 174 0.707 9.190 4.392 1.00 0.00 H new ATOM 0 HA VAL A 174 -1.287 10.842 5.796 1.00 0.00 H new ATOM 0 HB VAL A 174 -2.003 11.510 3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -0.083 12.974 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -0.467 12.924 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 174 0.921 12.006 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 174 -0.522 11.015 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 174 0.462 9.963 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -1.228 9.535 2.279 1.00 0.00 H new ATOM 742 N GLU A 175 -3.263 9.378 5.285 1.00 0.00 N ATOM 743 CA GLU A 175 -4.356 8.423 5.157 1.00 0.00 C ATOM 744 C GLU A 175 -5.047 8.578 3.807 1.00 0.00 C ATOM 745 O GLU A 175 -5.600 9.634 3.499 1.00 0.00 O ATOM 746 CB GLU A 175 -5.366 8.617 6.288 1.00 0.00 C ATOM 747 CG GLU A 175 -5.798 10.062 6.478 1.00 0.00 C ATOM 748 CD GLU A 175 -5.045 10.754 7.597 1.00 0.00 C ATOM 749 OE1 GLU A 175 -4.601 10.058 8.533 1.00 0.00 O ATOM 750 OE2 GLU A 175 -4.897 11.993 7.535 1.00 0.00 O ATOM 0 H GLU A 175 -3.489 10.208 5.834 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.942 7.417 5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -6.246 8.007 6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.932 8.251 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -5.642 10.609 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -6.867 10.093 6.691 1.00 0.00 H new ATOM 757 N LEU A 176 -5.002 7.522 3.002 1.00 0.00 N ATOM 758 CA LEU A 176 -5.617 7.543 1.680 1.00 0.00 C ATOM 759 C LEU A 176 -6.361 6.251 1.402 1.00 0.00 C ATOM 760 O LEU A 176 -6.694 5.496 2.315 1.00 0.00 O ATOM 761 CB LEU A 176 -4.556 7.720 0.590 1.00 0.00 C ATOM 762 CG LEU A 176 -3.236 8.354 1.041 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.131 8.054 0.040 1.00 0.00 C ATOM 764 CD2 LEU A 176 -3.403 9.856 1.220 1.00 0.00 C ATOM 0 H LEU A 176 -4.546 6.641 3.242 1.00 0.00 H new ATOM 0 HA LEU A 176 -6.314 8.381 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -4.339 6.743 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.979 8.333 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.955 7.922 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.201 8.512 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.996 6.975 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.403 8.459 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -2.457 10.292 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -3.707 10.304 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.166 10.050 1.974 1.00 0.00 H new ATOM 776 N ASP A 177 -6.589 5.994 0.120 1.00 0.00 N ATOM 777 CA ASP A 177 -7.255 4.788 -0.306 1.00 0.00 C ATOM 778 C ASP A 177 -6.775 4.386 -1.694 1.00 0.00 C ATOM 779 O ASP A 177 -6.313 5.221 -2.468 1.00 0.00 O ATOM 780 CB ASP A 177 -8.776 4.968 -0.302 1.00 0.00 C ATOM 781 CG ASP A 177 -9.268 5.751 0.900 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.975 6.964 0.979 1.00 0.00 O ATOM 783 OD2 ASP A 177 -9.944 5.152 1.763 1.00 0.00 O ATOM 0 H ASP A 177 -6.317 6.615 -0.642 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.007 3.995 0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -9.080 5.481 -1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.254 3.988 -0.313 1.00 0.00 H new ATOM 788 N PHE A 178 -6.878 3.102 -1.995 1.00 0.00 N ATOM 789 CA PHE A 178 -6.452 2.571 -3.287 1.00 0.00 C ATOM 790 C PHE A 178 -6.966 3.428 -4.443 1.00 0.00 C ATOM 791 O PHE A 178 -6.343 3.499 -5.501 1.00 0.00 O ATOM 792 CB PHE A 178 -6.935 1.131 -3.454 1.00 0.00 C ATOM 793 CG PHE A 178 -6.073 0.123 -2.749 1.00 0.00 C ATOM 794 CD1 PHE A 178 -6.304 -0.195 -1.420 1.00 0.00 C ATOM 795 CD2 PHE A 178 -5.033 -0.504 -3.414 1.00 0.00 C ATOM 796 CE1 PHE A 178 -5.512 -1.122 -0.768 1.00 0.00 C ATOM 797 CE2 PHE A 178 -4.237 -1.432 -2.767 1.00 0.00 C ATOM 798 CZ PHE A 178 -4.478 -1.742 -1.442 1.00 0.00 C ATOM 0 H PHE A 178 -7.256 2.400 -1.359 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.362 2.592 -3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -7.955 1.052 -3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -6.969 0.889 -4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -7.111 0.286 -0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -4.841 -0.266 -4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -5.702 -1.361 0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -3.428 -1.914 -3.297 1.00 0.00 H new ATOM 0 HZ PHE A 178 -3.859 -2.467 -0.935 1.00 0.00 H new ATOM 808 N SER A 179 -8.108 4.077 -4.233 1.00 0.00 N ATOM 809 CA SER A 179 -8.702 4.928 -5.261 1.00 0.00 C ATOM 810 C SER A 179 -7.845 6.167 -5.521 1.00 0.00 C ATOM 811 O SER A 179 -8.035 6.863 -6.519 1.00 0.00 O ATOM 812 CB SER A 179 -10.113 5.349 -4.847 1.00 0.00 C ATOM 813 OG SER A 179 -10.197 5.544 -3.445 1.00 0.00 O ATOM 0 H SER A 179 -8.639 4.031 -3.364 1.00 0.00 H new ATOM 0 HA SER A 179 -8.753 4.351 -6.184 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.387 6.270 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.828 4.586 -5.155 1.00 0.00 H new ATOM 0 HG SER A 179 -11.108 5.814 -3.206 1.00 0.00 H new ATOM 819 N GLN A 180 -6.906 6.441 -4.619 1.00 0.00 N ATOM 820 CA GLN A 180 -6.028 7.599 -4.754 1.00 0.00 C ATOM 821 C GLN A 180 -4.565 7.179 -4.907 1.00 0.00 C ATOM 822 O GLN A 180 -3.664 8.016 -4.851 1.00 0.00 O ATOM 823 CB GLN A 180 -6.176 8.513 -3.537 1.00 0.00 C ATOM 824 CG GLN A 180 -7.576 9.083 -3.372 1.00 0.00 C ATOM 825 CD GLN A 180 -7.571 10.495 -2.821 1.00 0.00 C ATOM 826 OE1 GLN A 180 -8.329 11.353 -3.272 1.00 0.00 O ATOM 827 NE2 GLN A 180 -6.712 10.743 -1.838 1.00 0.00 N ATOM 0 H GLN A 180 -6.734 5.877 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.323 8.137 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -5.912 7.954 -2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.465 9.335 -3.622 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -8.083 9.076 -4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -8.150 8.439 -2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -6.102 10.001 -1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -6.663 11.675 -1.427 1.00 0.00 H new ATOM 836 N VAL A 181 -4.330 5.883 -5.105 1.00 0.00 N ATOM 837 CA VAL A 181 -2.974 5.370 -5.265 1.00 0.00 C ATOM 838 C VAL A 181 -2.971 4.042 -6.015 1.00 0.00 C ATOM 839 O VAL A 181 -3.929 3.272 -5.938 1.00 0.00 O ATOM 840 CB VAL A 181 -2.280 5.176 -3.904 1.00 0.00 C ATOM 841 CG1 VAL A 181 -2.073 6.514 -3.212 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.087 4.232 -3.025 1.00 0.00 C ATOM 0 H VAL A 181 -5.060 5.172 -5.158 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.424 6.113 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.301 4.729 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.581 6.355 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.451 7.154 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -3.039 6.993 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.582 4.106 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.080 4.649 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.177 3.264 -3.518 1.00 0.00 H new ATOM 852 N VAL A 182 -1.888 3.777 -6.740 1.00 0.00 N ATOM 853 CA VAL A 182 -1.764 2.538 -7.503 1.00 0.00 C ATOM 854 C VAL A 182 -0.539 1.748 -7.061 1.00 0.00 C ATOM 855 O VAL A 182 0.261 2.220 -6.255 1.00 0.00 O ATOM 856 CB VAL A 182 -1.666 2.801 -9.022 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.367 1.697 -9.798 1.00 0.00 C ATOM 858 CG2 VAL A 182 -2.247 4.162 -9.382 1.00 0.00 C ATOM 0 H VAL A 182 -1.085 4.402 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.667 1.961 -7.306 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.611 2.804 -9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.289 1.897 -10.867 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.897 0.739 -9.573 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -3.418 1.662 -9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -2.164 4.320 -10.457 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -3.296 4.199 -9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 182 -1.697 4.943 -8.857 1.00 0.00 H new ATOM 868 N LYS A 183 -0.398 0.541 -7.597 1.00 0.00 N ATOM 869 CA LYS A 183 0.730 -0.319 -7.259 1.00 0.00 C ATOM 870 C LYS A 183 2.003 0.151 -7.957 1.00 0.00 C ATOM 871 O LYS A 183 1.950 0.728 -9.042 1.00 0.00 O ATOM 872 CB LYS A 183 0.426 -1.768 -7.648 1.00 0.00 C ATOM 873 CG LYS A 183 0.941 -2.788 -6.646 1.00 0.00 C ATOM 874 CD LYS A 183 0.003 -3.977 -6.530 1.00 0.00 C ATOM 875 CE LYS A 183 -0.897 -3.859 -5.310 1.00 0.00 C ATOM 876 NZ LYS A 183 -2.049 -4.801 -5.374 1.00 0.00 N ATOM 0 H LYS A 183 -1.051 0.136 -8.268 1.00 0.00 H new ATOM 0 HA LYS A 183 0.888 -0.263 -6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.652 -1.888 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.868 -1.974 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.930 -3.132 -6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 183 1.054 -2.316 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -0.609 -4.048 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 183 0.585 -4.896 -6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -0.315 -4.058 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -1.268 -2.837 -5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -2.637 -4.688 -4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -2.619 -4.595 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -1.696 -5.778 -5.424 1.00 0.00 H new ATOM 890 N ALA A 184 3.144 -0.099 -7.324 1.00 0.00 N ATOM 891 CA ALA A 184 4.431 0.298 -7.883 1.00 0.00 C ATOM 892 C ALA A 184 5.370 -0.898 -8.004 1.00 0.00 C ATOM 893 O ALA A 184 6.563 -0.684 -8.301 1.00 0.00 O ATOM 894 CB ALA A 184 5.064 1.383 -7.026 1.00 0.00 C ATOM 895 OXT ALA A 184 4.904 -2.038 -7.799 1.00 0.00 O ATOM 0 H ALA A 184 3.204 -0.575 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 184 4.259 0.694 -8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 184 6.024 1.671 -7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.406 2.252 -6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.216 1.006 -6.015 1.00 0.00 H new