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 180:sc=-0.00424 USER MOD Set 1.2: A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 GLN : amide:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 141 SER OG : rot 180:sc= -1.07 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.0041 USER MOD Single : A 152 THR OG1 : rot 90:sc= -0.41 USER MOD Single : A 155 ASN : amide:sc= -0.247 K(o=-0.25,f=-1.9!) USER MOD Single : A 160 LYS NZ :NH3+ 158:sc= 0.363 (180deg=0.188) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot -31:sc= 0.169 USER MOD Single : A 179 SER OG : rot -42:sc= 0.201 USER MOD Single : A 180 GLN : amide:sc= -0.0585 X(o=-0.059,f=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N ARG A 132 0.215 -6.909 0.964 1.00 0.00 N ATOM 77 CA ARG A 132 0.697 -6.965 2.339 1.00 0.00 C ATOM 78 C ARG A 132 1.233 -5.608 2.782 1.00 0.00 C ATOM 79 O ARG A 132 1.636 -4.789 1.957 1.00 0.00 O ATOM 80 CB ARG A 132 1.788 -8.028 2.475 1.00 0.00 C ATOM 81 CG ARG A 132 1.255 -9.406 2.833 1.00 0.00 C ATOM 82 CD ARG A 132 2.354 -10.456 2.796 1.00 0.00 C ATOM 83 NE ARG A 132 1.919 -11.721 3.382 1.00 0.00 N ATOM 84 CZ ARG A 132 1.854 -11.949 4.692 1.00 0.00 C ATOM 85 NH1 ARG A 132 2.199 -11.000 5.554 1.00 0.00 N ATOM 86 NH2 ARG A 132 1.443 -13.126 5.141 1.00 0.00 N ATOM 0 HA ARG A 132 -0.142 -7.231 2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 132 2.339 -8.093 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.498 -7.712 3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 132 0.811 -9.378 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.463 -9.683 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 132 2.663 -10.621 1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 132 3.227 -10.087 3.335 1.00 0.00 H new ATOM 0 HE ARG A 132 1.649 -12.475 2.750 1.00 0.00 H new ATOM 0 HH11 ARG A 132 2.515 -10.092 5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 132 2.148 -11.179 6.557 1.00 0.00 H new ATOM 0 HH21 ARG A 132 1.176 -13.858 4.483 1.00 0.00 H new ATOM 0 HH22 ARG A 132 1.393 -13.300 6.145 1.00 0.00 H new ATOM 100 N GLU A 133 1.235 -5.376 4.091 1.00 0.00 N ATOM 101 CA GLU A 133 1.725 -4.115 4.640 1.00 0.00 C ATOM 102 C GLU A 133 3.168 -3.866 4.216 1.00 0.00 C ATOM 103 O GLU A 133 3.906 -4.802 3.908 1.00 0.00 O ATOM 104 CB GLU A 133 1.624 -4.112 6.167 1.00 0.00 C ATOM 105 CG GLU A 133 0.335 -4.721 6.697 1.00 0.00 C ATOM 106 CD GLU A 133 0.578 -5.947 7.557 1.00 0.00 C ATOM 107 OE1 GLU A 133 1.235 -5.812 8.610 1.00 0.00 O ATOM 108 OE2 GLU A 133 0.111 -7.041 7.176 1.00 0.00 O ATOM 0 H GLU A 133 0.904 -6.042 4.790 1.00 0.00 H new ATOM 0 HA GLU A 133 1.100 -3.314 4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.471 -4.661 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 133 1.704 -3.086 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -0.202 -3.973 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.306 -4.992 5.858 1.00 0.00 H new ATOM 115 N GLY A 134 3.562 -2.599 4.199 1.00 0.00 N ATOM 116 CA GLY A 134 4.915 -2.248 3.808 1.00 0.00 C ATOM 117 C GLY A 134 5.125 -2.300 2.304 1.00 0.00 C ATOM 118 O GLY A 134 6.227 -2.039 1.819 1.00 0.00 O ATOM 0 H GLY A 134 2.969 -1.807 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 134 5.144 -1.245 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 134 5.616 -2.928 4.292 1.00 0.00 H new ATOM 122 N ASP A 135 4.073 -2.639 1.561 1.00 0.00 N ATOM 123 CA ASP A 135 4.161 -2.720 0.108 1.00 0.00 C ATOM 124 C ASP A 135 4.412 -1.345 -0.500 1.00 0.00 C ATOM 125 O ASP A 135 4.051 -0.321 0.083 1.00 0.00 O ATOM 126 CB ASP A 135 2.877 -3.320 -0.468 1.00 0.00 C ATOM 127 CG ASP A 135 2.992 -4.812 -0.707 1.00 0.00 C ATOM 128 OD1 ASP A 135 4.090 -5.270 -1.085 1.00 0.00 O ATOM 129 OD2 ASP A 135 1.982 -5.524 -0.517 1.00 0.00 O ATOM 0 H ASP A 135 3.153 -2.861 1.942 1.00 0.00 H new ATOM 0 HA ASP A 135 5.001 -3.367 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 135 2.051 -3.127 0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.636 -2.822 -1.407 1.00 0.00 H new ATOM 134 N GLN A 136 5.035 -1.326 -1.673 1.00 0.00 N ATOM 135 CA GLN A 136 5.335 -0.075 -2.361 1.00 0.00 C ATOM 136 C GLN A 136 4.254 0.256 -3.385 1.00 0.00 C ATOM 137 O GLN A 136 3.967 -0.541 -4.280 1.00 0.00 O ATOM 138 CB GLN A 136 6.698 -0.159 -3.048 1.00 0.00 C ATOM 139 CG GLN A 136 7.849 -0.409 -2.087 1.00 0.00 C ATOM 140 CD GLN A 136 9.183 0.043 -2.646 1.00 0.00 C ATOM 141 OE1 GLN A 136 10.062 -0.774 -2.922 1.00 0.00 O ATOM 142 NE2 GLN A 136 9.343 1.350 -2.815 1.00 0.00 N ATOM 0 H GLN A 136 5.342 -2.163 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 136 5.361 0.722 -1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.674 -0.958 -3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 136 6.881 0.770 -3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 136 7.656 0.114 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.898 -1.473 -1.854 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.588 1.992 -2.573 1.00 0.00 H new ATOM 0 HE22 GLN A 136 10.221 1.712 -3.187 1.00 0.00 H new ATOM 151 N VAL A 137 3.658 1.436 -3.247 1.00 0.00 N ATOM 152 CA VAL A 137 2.608 1.874 -4.159 1.00 0.00 C ATOM 153 C VAL A 137 2.758 3.352 -4.497 1.00 0.00 C ATOM 154 O VAL A 137 3.068 4.168 -3.629 1.00 0.00 O ATOM 155 CB VAL A 137 1.209 1.638 -3.558 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.916 0.148 -3.452 1.00 0.00 C ATOM 157 CG2 VAL A 137 1.092 2.312 -2.199 1.00 0.00 C ATOM 0 H VAL A 137 3.885 2.106 -2.512 1.00 0.00 H new ATOM 0 HA VAL A 137 2.710 1.282 -5.069 1.00 0.00 H new ATOM 0 HB VAL A 137 0.468 2.082 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.076 0.002 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.954 -0.302 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.660 -0.324 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.098 2.135 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.841 1.900 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 137 1.253 3.384 -2.310 1.00 0.00 H new ATOM 167 N ARG A 138 2.534 3.694 -5.762 1.00 0.00 N ATOM 168 CA ARG A 138 2.643 5.078 -6.206 1.00 0.00 C ATOM 169 C ARG A 138 1.385 5.860 -5.853 1.00 0.00 C ATOM 170 O ARG A 138 0.355 5.280 -5.506 1.00 0.00 O ATOM 171 CB ARG A 138 2.896 5.143 -7.715 1.00 0.00 C ATOM 172 CG ARG A 138 4.065 6.039 -8.098 1.00 0.00 C ATOM 173 CD ARG A 138 4.892 5.429 -9.220 1.00 0.00 C ATOM 174 NE ARG A 138 5.336 6.435 -10.181 1.00 0.00 N ATOM 175 CZ ARG A 138 4.512 7.132 -10.960 1.00 0.00 C ATOM 176 NH1 ARG A 138 3.202 6.936 -10.893 1.00 0.00 N ATOM 177 NH2 ARG A 138 5.001 8.028 -11.807 1.00 0.00 N ATOM 0 H ARG A 138 2.277 3.033 -6.495 1.00 0.00 H new ATOM 0 HA ARG A 138 3.489 5.531 -5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.084 4.136 -8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.995 5.504 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.690 7.014 -8.410 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.698 6.205 -7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.760 4.924 -8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.302 4.671 -9.735 1.00 0.00 H new ATOM 0 HE ARG A 138 6.337 6.614 -10.260 1.00 0.00 H new ATOM 0 HH11 ARG A 138 2.822 6.249 -10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 138 2.575 7.473 -11.492 1.00 0.00 H new ATOM 0 HH21 ARG A 138 6.008 8.182 -11.861 1.00 0.00 H new ATOM 0 HH22 ARG A 138 4.370 8.563 -12.404 1.00 0.00 H new ATOM 191 N VAL A 139 1.476 7.180 -5.941 1.00 0.00 N ATOM 192 CA VAL A 139 0.348 8.051 -5.631 1.00 0.00 C ATOM 193 C VAL A 139 -0.634 8.113 -6.801 1.00 0.00 C ATOM 194 O VAL A 139 -0.327 7.657 -7.902 1.00 0.00 O ATOM 195 CB VAL A 139 0.825 9.477 -5.288 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.294 10.286 -4.651 1.00 0.00 C ATOM 197 CG2 VAL A 139 2.040 9.426 -4.372 1.00 0.00 C ATOM 0 H VAL A 139 2.322 7.674 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.158 7.628 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 139 1.112 9.972 -6.216 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.068 11.288 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.133 10.355 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.620 9.796 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.364 10.441 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.778 8.909 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.849 8.892 -4.870 1.00 0.00 H new ATOM 207 N VAL A 140 -1.820 8.665 -6.553 1.00 0.00 N ATOM 208 CA VAL A 140 -2.846 8.765 -7.585 1.00 0.00 C ATOM 209 C VAL A 140 -2.592 9.935 -8.543 1.00 0.00 C ATOM 210 O VAL A 140 -2.384 9.725 -9.737 1.00 0.00 O ATOM 211 CB VAL A 140 -4.262 8.892 -6.966 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.302 9.965 -5.885 1.00 0.00 C ATOM 213 CG2 VAL A 140 -5.304 9.171 -8.041 1.00 0.00 C ATOM 0 H VAL A 140 -2.093 9.049 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.793 7.840 -8.159 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.502 7.938 -6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.309 10.028 -5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.600 9.709 -5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.026 10.927 -6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -6.288 9.256 -7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -5.060 10.103 -8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -5.310 8.354 -8.763 1.00 0.00 H new ATOM 223 N SER A 141 -2.616 11.163 -8.028 1.00 0.00 N ATOM 224 CA SER A 141 -2.394 12.338 -8.866 1.00 0.00 C ATOM 225 C SER A 141 -1.990 13.548 -8.029 1.00 0.00 C ATOM 226 O SER A 141 -1.791 13.442 -6.819 1.00 0.00 O ATOM 227 CB SER A 141 -3.654 12.659 -9.673 1.00 0.00 C ATOM 228 OG SER A 141 -4.822 12.272 -8.969 1.00 0.00 O ATOM 0 H SER A 141 -2.785 11.369 -7.043 1.00 0.00 H new ATOM 0 HA SER A 141 -1.577 12.110 -9.550 1.00 0.00 H new ATOM 0 HB2 SER A 141 -3.691 13.727 -9.886 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.616 12.144 -10.633 1.00 0.00 H new ATOM 0 HG SER A 141 -5.614 12.489 -9.504 1.00 0.00 H new ATOM 234 N GLY A 142 -1.875 14.701 -8.685 1.00 0.00 N ATOM 235 CA GLY A 142 -1.497 15.917 -7.991 1.00 0.00 C ATOM 236 C GLY A 142 0.008 16.089 -7.904 1.00 0.00 C ATOM 237 O GLY A 142 0.753 15.377 -8.577 1.00 0.00 O ATOM 0 H GLY A 142 -2.037 14.813 -9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.929 16.775 -8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -1.917 15.904 -6.985 1.00 0.00 H new ATOM 241 N PRO A 143 0.489 17.025 -7.068 1.00 0.00 N ATOM 242 CA PRO A 143 1.927 17.265 -6.902 1.00 0.00 C ATOM 243 C PRO A 143 2.660 16.021 -6.414 1.00 0.00 C ATOM 244 O PRO A 143 3.880 15.911 -6.552 1.00 0.00 O ATOM 245 CB PRO A 143 1.995 18.378 -5.847 1.00 0.00 C ATOM 246 CG PRO A 143 0.665 18.362 -5.175 1.00 0.00 C ATOM 247 CD PRO A 143 -0.318 17.912 -6.217 1.00 0.00 C ATOM 0 HA PRO A 143 2.406 17.533 -7.844 1.00 0.00 H new ATOM 0 HB2 PRO A 143 2.799 18.196 -5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 143 2.192 19.346 -6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.667 17.684 -4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.407 19.351 -4.796 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.164 17.387 -5.774 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.724 18.753 -6.780 1.00 0.00 H new ATOM 255 N PHE A 144 1.909 15.083 -5.845 1.00 0.00 N ATOM 256 CA PHE A 144 2.483 13.842 -5.336 1.00 0.00 C ATOM 257 C PHE A 144 2.313 12.705 -6.340 1.00 0.00 C ATOM 258 O PHE A 144 2.490 11.540 -5.996 1.00 0.00 O ATOM 259 CB PHE A 144 1.818 13.448 -4.013 1.00 0.00 C ATOM 260 CG PHE A 144 1.411 14.616 -3.160 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.364 15.421 -2.559 1.00 0.00 C ATOM 262 CD2 PHE A 144 0.071 14.905 -2.960 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.989 16.495 -1.773 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.312 15.976 -2.177 1.00 0.00 C ATOM 265 CZ PHE A 144 0.649 16.773 -1.583 1.00 0.00 C ATOM 0 H PHE A 144 0.899 15.159 -5.725 1.00 0.00 H new ATOM 0 HA PHE A 144 3.547 14.014 -5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.937 12.844 -4.227 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.505 12.820 -3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.412 15.207 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.683 14.285 -3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.742 17.115 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.360 16.191 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.353 17.612 -0.971 1.00 0.00 H new ATOM 275 N ALA A 145 1.962 13.041 -7.580 1.00 0.00 N ATOM 276 CA ALA A 145 1.757 12.031 -8.616 1.00 0.00 C ATOM 277 C ALA A 145 3.072 11.553 -9.228 1.00 0.00 C ATOM 278 O ALA A 145 3.154 11.320 -10.433 1.00 0.00 O ATOM 279 CB ALA A 145 0.840 12.576 -9.701 1.00 0.00 C ATOM 0 H ALA A 145 1.814 14.001 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 145 1.290 11.168 -8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 145 0.693 11.816 -10.469 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -0.123 12.841 -9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.292 13.461 -10.148 1.00 0.00 H new ATOM 285 N ASP A 146 4.093 11.395 -8.394 1.00 0.00 N ATOM 286 CA ASP A 146 5.392 10.929 -8.865 1.00 0.00 C ATOM 287 C ASP A 146 6.225 10.387 -7.712 1.00 0.00 C ATOM 288 O ASP A 146 7.452 10.477 -7.722 1.00 0.00 O ATOM 289 CB ASP A 146 6.140 12.056 -9.579 1.00 0.00 C ATOM 290 CG ASP A 146 6.500 11.698 -11.008 1.00 0.00 C ATOM 291 OD1 ASP A 146 7.444 10.903 -11.202 1.00 0.00 O ATOM 292 OD2 ASP A 146 5.836 12.211 -11.933 1.00 0.00 O ATOM 0 H ASP A 146 4.047 11.582 -7.392 1.00 0.00 H new ATOM 0 HA ASP A 146 5.224 10.119 -9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.524 12.955 -9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.050 12.292 -9.026 1.00 0.00 H new ATOM 297 N PHE A 147 5.545 9.822 -6.725 1.00 0.00 N ATOM 298 CA PHE A 147 6.215 9.258 -5.559 1.00 0.00 C ATOM 299 C PHE A 147 5.496 8.005 -5.073 1.00 0.00 C ATOM 300 O PHE A 147 4.300 7.831 -5.306 1.00 0.00 O ATOM 301 CB PHE A 147 6.277 10.284 -4.424 1.00 0.00 C ATOM 302 CG PHE A 147 6.753 11.641 -4.854 1.00 0.00 C ATOM 303 CD1 PHE A 147 7.996 11.801 -5.443 1.00 0.00 C ATOM 304 CD2 PHE A 147 5.956 12.759 -4.668 1.00 0.00 C ATOM 305 CE1 PHE A 147 8.437 13.048 -5.839 1.00 0.00 C ATOM 306 CE2 PHE A 147 6.391 14.011 -5.062 1.00 0.00 C ATOM 307 CZ PHE A 147 7.632 14.154 -5.649 1.00 0.00 C ATOM 0 H PHE A 147 4.528 9.741 -6.707 1.00 0.00 H new ATOM 0 HA PHE A 147 7.229 8.991 -5.856 1.00 0.00 H new ATOM 0 HB2 PHE A 147 5.286 10.381 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.939 9.908 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 147 8.629 10.939 -5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 147 4.984 12.651 -4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 147 9.409 13.158 -6.296 1.00 0.00 H new ATOM 0 HE2 PHE A 147 5.761 14.875 -4.911 1.00 0.00 H new ATOM 0 HZ PHE A 147 7.973 15.130 -5.960 1.00 0.00 H new ATOM 317 N THR A 148 6.233 7.140 -4.385 1.00 0.00 N ATOM 318 CA THR A 148 5.666 5.909 -3.853 1.00 0.00 C ATOM 319 C THR A 148 5.597 5.975 -2.332 1.00 0.00 C ATOM 320 O THR A 148 6.300 6.770 -1.708 1.00 0.00 O ATOM 321 CB THR A 148 6.499 4.704 -4.291 1.00 0.00 C ATOM 322 OG1 THR A 148 7.860 5.064 -4.447 1.00 0.00 O ATOM 323 CG2 THR A 148 6.032 4.095 -5.596 1.00 0.00 C ATOM 0 H THR A 148 7.224 7.270 -4.183 1.00 0.00 H new ATOM 0 HA THR A 148 4.656 5.795 -4.246 1.00 0.00 H new ATOM 0 HB THR A 148 6.375 3.965 -3.499 1.00 0.00 H new ATOM 0 HG1 THR A 148 8.376 4.279 -4.726 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.666 3.245 -5.848 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.000 3.760 -5.492 1.00 0.00 H new ATOM 0 HG23 THR A 148 6.093 4.841 -6.388 1.00 0.00 H new ATOM 331 N GLY A 149 4.748 5.146 -1.738 1.00 0.00 N ATOM 332 CA GLY A 149 4.611 5.150 -0.294 1.00 0.00 C ATOM 333 C GLY A 149 4.754 3.772 0.322 1.00 0.00 C ATOM 334 O GLY A 149 4.949 2.783 -0.383 1.00 0.00 O ATOM 0 H GLY A 149 4.155 4.475 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 149 5.363 5.812 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 149 3.637 5.560 -0.029 1.00 0.00 H new ATOM 338 N THR A 150 4.655 3.715 1.648 1.00 0.00 N ATOM 339 CA THR A 150 4.774 2.456 2.377 1.00 0.00 C ATOM 340 C THR A 150 3.516 2.185 3.195 1.00 0.00 C ATOM 341 O THR A 150 3.186 2.938 4.110 1.00 0.00 O ATOM 342 CB THR A 150 5.992 2.494 3.301 1.00 0.00 C ATOM 343 OG1 THR A 150 7.075 3.163 2.679 1.00 0.00 O ATOM 344 CG2 THR A 150 6.474 1.120 3.712 1.00 0.00 C ATOM 0 H THR A 150 4.492 4.529 2.241 1.00 0.00 H new ATOM 0 HA THR A 150 4.899 1.653 1.651 1.00 0.00 H new ATOM 0 HB THR A 150 5.661 3.026 4.193 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.843 3.178 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.340 1.219 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.677 0.598 4.241 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.753 0.552 2.825 1.00 0.00 H new ATOM 352 N VAL A 151 2.822 1.102 2.863 1.00 0.00 N ATOM 353 CA VAL A 151 1.602 0.734 3.574 1.00 0.00 C ATOM 354 C VAL A 151 1.910 0.319 5.008 1.00 0.00 C ATOM 355 O VAL A 151 2.954 -0.272 5.283 1.00 0.00 O ATOM 356 CB VAL A 151 0.863 -0.417 2.862 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.473 -0.694 3.539 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.663 -0.095 1.389 1.00 0.00 C ATOM 0 H VAL A 151 3.081 0.466 2.109 1.00 0.00 H new ATOM 0 HA VAL A 151 0.960 1.615 3.583 1.00 0.00 H new ATOM 0 HB VAL A 151 1.476 -1.316 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.980 -1.509 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.303 -0.973 4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.093 0.202 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.140 -0.919 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 151 0.073 0.816 1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.633 0.049 0.913 1.00 0.00 H new ATOM 368 N THR A 152 0.997 0.636 5.919 1.00 0.00 N ATOM 369 CA THR A 152 1.174 0.298 7.327 1.00 0.00 C ATOM 370 C THR A 152 -0.125 -0.227 7.930 1.00 0.00 C ATOM 371 O THR A 152 -0.162 -1.325 8.486 1.00 0.00 O ATOM 372 CB THR A 152 1.652 1.522 8.108 1.00 0.00 C ATOM 373 OG1 THR A 152 0.598 2.455 8.271 1.00 0.00 O ATOM 374 CG2 THR A 152 2.804 2.244 7.443 1.00 0.00 C ATOM 0 H THR A 152 0.128 1.126 5.709 1.00 0.00 H new ATOM 0 HA THR A 152 1.927 -0.487 7.394 1.00 0.00 H new ATOM 0 HB THR A 152 1.992 1.137 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 152 0.112 2.259 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.094 3.102 8.049 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.651 1.565 7.346 1.00 0.00 H new ATOM 0 HG23 THR A 152 2.497 2.585 6.454 1.00 0.00 H new ATOM 382 N GLU A 153 -1.187 0.563 7.820 1.00 0.00 N ATOM 383 CA GLU A 153 -2.486 0.178 8.357 1.00 0.00 C ATOM 384 C GLU A 153 -3.511 0.016 7.239 1.00 0.00 C ATOM 385 O GLU A 153 -3.336 0.543 6.140 1.00 0.00 O ATOM 386 CB GLU A 153 -2.972 1.220 9.368 1.00 0.00 C ATOM 387 CG GLU A 153 -2.815 0.782 10.816 1.00 0.00 C ATOM 388 CD GLU A 153 -4.008 1.160 11.672 1.00 0.00 C ATOM 389 OE1 GLU A 153 -5.150 0.856 11.264 1.00 0.00 O ATOM 390 OE2 GLU A 153 -3.802 1.757 12.748 1.00 0.00 O ATOM 0 H GLU A 153 -1.173 1.475 7.363 1.00 0.00 H new ATOM 0 HA GLU A 153 -2.374 -0.782 8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.420 2.147 9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -4.022 1.439 9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -2.675 -0.298 10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -1.915 1.234 11.233 1.00 0.00 H new ATOM 397 N ILE A 154 -4.581 -0.717 7.529 1.00 0.00 N ATOM 398 CA ILE A 154 -5.638 -0.950 6.552 1.00 0.00 C ATOM 399 C ILE A 154 -6.941 -1.342 7.237 1.00 0.00 C ATOM 400 O ILE A 154 -6.934 -1.963 8.301 1.00 0.00 O ATOM 401 CB ILE A 154 -5.244 -2.053 5.551 1.00 0.00 C ATOM 402 CG1 ILE A 154 -4.704 -3.278 6.293 1.00 0.00 C ATOM 403 CG2 ILE A 154 -4.212 -1.530 4.565 1.00 0.00 C ATOM 404 CD1 ILE A 154 -5.140 -4.593 5.686 1.00 0.00 C ATOM 0 H ILE A 154 -4.739 -1.160 8.434 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.782 -0.015 6.011 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.133 -2.350 4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -3.615 -3.235 6.304 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.035 -3.239 7.331 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.944 -2.321 3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -4.628 -0.685 4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -3.322 -1.208 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -4.720 -5.417 6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -6.228 -4.657 5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -4.786 -4.654 4.657 1.00 0.00 H new ATOM 416 N ASN A 155 -8.062 -0.975 6.622 1.00 0.00 N ATOM 417 CA ASN A 155 -9.374 -1.290 7.177 1.00 0.00 C ATOM 418 C ASN A 155 -10.394 -1.527 6.066 1.00 0.00 C ATOM 419 O ASN A 155 -11.119 -0.614 5.673 1.00 0.00 O ATOM 420 CB ASN A 155 -9.850 -0.158 8.088 1.00 0.00 C ATOM 421 CG ASN A 155 -10.612 -0.670 9.295 1.00 0.00 C ATOM 422 OD1 ASN A 155 -10.412 -1.802 9.735 1.00 0.00 O ATOM 423 ND2 ASN A 155 -11.492 0.164 9.836 1.00 0.00 N ATOM 0 H ASN A 155 -8.088 -0.461 5.742 1.00 0.00 H new ATOM 0 HA ASN A 155 -9.282 -2.205 7.762 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -8.990 0.421 8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.488 0.519 7.519 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -12.035 -0.125 10.650 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -11.625 1.094 9.438 1.00 0.00 H new ATOM 430 N PRO A 156 -10.462 -2.764 5.544 1.00 0.00 N ATOM 431 CA PRO A 156 -11.401 -3.118 4.473 1.00 0.00 C ATOM 432 C PRO A 156 -12.845 -2.779 4.830 1.00 0.00 C ATOM 433 O PRO A 156 -13.690 -2.619 3.949 1.00 0.00 O ATOM 434 CB PRO A 156 -11.228 -4.634 4.331 1.00 0.00 C ATOM 435 CG PRO A 156 -9.863 -4.912 4.860 1.00 0.00 C ATOM 436 CD PRO A 156 -9.634 -3.911 5.956 1.00 0.00 C ATOM 0 HA PRO A 156 -11.197 -2.565 3.556 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.989 -5.174 4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -11.321 -4.947 3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -9.792 -5.931 5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.112 -4.811 4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.940 -4.300 6.927 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.582 -3.639 6.039 1.00 0.00 H new ATOM 444 N GLU A 157 -13.123 -2.671 6.128 1.00 0.00 N ATOM 445 CA GLU A 157 -14.467 -2.351 6.599 1.00 0.00 C ATOM 446 C GLU A 157 -14.980 -1.060 5.964 1.00 0.00 C ATOM 447 O GLU A 157 -15.897 -1.084 5.143 1.00 0.00 O ATOM 448 CB GLU A 157 -14.476 -2.226 8.126 1.00 0.00 C ATOM 449 CG GLU A 157 -15.111 -3.414 8.830 1.00 0.00 C ATOM 450 CD GLU A 157 -15.679 -3.050 10.188 1.00 0.00 C ATOM 451 OE1 GLU A 157 -16.264 -1.954 10.313 1.00 0.00 O ATOM 452 OE2 GLU A 157 -15.539 -3.862 11.126 1.00 0.00 O ATOM 0 H GLU A 157 -12.436 -2.800 6.870 1.00 0.00 H new ATOM 0 HA GLU A 157 -15.131 -3.163 6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.451 -2.111 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -15.013 -1.319 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -15.906 -3.820 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -14.367 -4.201 8.950 1.00 0.00 H new ATOM 459 N ARG A 158 -14.384 0.063 6.351 1.00 0.00 N ATOM 460 CA ARG A 158 -14.782 1.361 5.817 1.00 0.00 C ATOM 461 C ARG A 158 -14.170 1.596 4.440 1.00 0.00 C ATOM 462 O ARG A 158 -14.777 2.232 3.579 1.00 0.00 O ATOM 463 CB ARG A 158 -14.367 2.480 6.775 1.00 0.00 C ATOM 464 CG ARG A 158 -15.456 3.512 7.016 1.00 0.00 C ATOM 465 CD ARG A 158 -14.874 4.890 7.284 1.00 0.00 C ATOM 466 NE ARG A 158 -15.594 5.939 6.564 1.00 0.00 N ATOM 467 CZ ARG A 158 -15.537 7.230 6.880 1.00 0.00 C ATOM 468 NH1 ARG A 158 -14.792 7.638 7.901 1.00 0.00 N ATOM 469 NH2 ARG A 158 -16.224 8.117 6.174 1.00 0.00 N ATOM 0 H ARG A 158 -13.625 0.101 7.031 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.867 1.366 5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -14.077 2.040 7.729 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -13.486 2.981 6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -16.113 3.557 6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -16.068 3.204 7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -14.908 5.096 8.354 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -13.824 4.904 6.990 1.00 0.00 H new ATOM 0 HE ARG A 158 -16.175 5.665 5.772 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -14.260 6.960 8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -14.752 8.629 8.139 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -16.797 7.810 5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -16.180 9.107 6.417 1.00 0.00 H new ATOM 483 N GLY A 159 -12.962 1.078 4.239 1.00 0.00 N ATOM 484 CA GLY A 159 -12.288 1.242 2.965 1.00 0.00 C ATOM 485 C GLY A 159 -11.226 2.322 3.003 1.00 0.00 C ATOM 486 O GLY A 159 -11.252 3.258 2.204 1.00 0.00 O ATOM 0 H GLY A 159 -12.439 0.548 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.829 0.296 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.023 1.487 2.198 1.00 0.00 H new ATOM 490 N LYS A 160 -10.287 2.193 3.937 1.00 0.00 N ATOM 491 CA LYS A 160 -9.210 3.165 4.077 1.00 0.00 C ATOM 492 C LYS A 160 -7.858 2.466 4.168 1.00 0.00 C ATOM 493 O LYS A 160 -7.757 1.348 4.671 1.00 0.00 O ATOM 494 CB LYS A 160 -9.432 4.031 5.318 1.00 0.00 C ATOM 495 CG LYS A 160 -10.452 5.140 5.112 1.00 0.00 C ATOM 496 CD LYS A 160 -10.269 6.261 6.122 1.00 0.00 C ATOM 497 CE LYS A 160 -10.887 5.911 7.467 1.00 0.00 C ATOM 498 NZ LYS A 160 -9.850 5.677 8.511 1.00 0.00 N ATOM 0 H LYS A 160 -10.252 1.425 4.607 1.00 0.00 H new ATOM 0 HA LYS A 160 -9.213 3.803 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.760 3.395 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.482 4.474 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -10.357 5.540 4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.458 4.731 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -9.206 6.464 6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -10.724 7.174 5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -11.546 6.719 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -11.504 5.019 7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -10.270 5.811 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -9.487 4.706 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -9.069 6.351 8.381 1.00 0.00 H new ATOM 512 N VAL A 161 -6.819 3.136 3.678 1.00 0.00 N ATOM 513 CA VAL A 161 -5.472 2.581 3.705 1.00 0.00 C ATOM 514 C VAL A 161 -4.437 3.664 3.988 1.00 0.00 C ATOM 515 O VAL A 161 -4.507 4.763 3.437 1.00 0.00 O ATOM 516 CB VAL A 161 -5.121 1.885 2.375 1.00 0.00 C ATOM 517 CG1 VAL A 161 -6.019 0.678 2.151 1.00 0.00 C ATOM 518 CG2 VAL A 161 -5.226 2.863 1.212 1.00 0.00 C ATOM 0 H VAL A 161 -6.885 4.063 3.258 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.451 1.843 4.507 1.00 0.00 H new ATOM 0 HB VAL A 161 -4.090 1.536 2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -5.757 0.199 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.885 -0.032 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -7.060 1.000 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.974 2.352 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -6.244 3.247 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.535 3.691 1.369 1.00 0.00 H new ATOM 528 N LYS A 162 -3.480 3.348 4.853 1.00 0.00 N ATOM 529 CA LYS A 162 -2.430 4.295 5.209 1.00 0.00 C ATOM 530 C LYS A 162 -1.143 3.994 4.447 1.00 0.00 C ATOM 531 O LYS A 162 -0.788 2.834 4.246 1.00 0.00 O ATOM 532 CB LYS A 162 -2.167 4.253 6.715 1.00 0.00 C ATOM 533 CG LYS A 162 -1.414 5.467 7.231 1.00 0.00 C ATOM 534 CD LYS A 162 -1.331 5.468 8.749 1.00 0.00 C ATOM 535 CE LYS A 162 -0.440 6.589 9.259 1.00 0.00 C ATOM 536 NZ LYS A 162 -1.236 7.738 9.777 1.00 0.00 N ATOM 0 H LYS A 162 -3.410 2.444 5.320 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.768 5.294 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.119 4.175 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.598 3.354 6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.408 5.478 6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.911 6.376 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -2.331 5.577 9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -0.944 4.509 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 162 0.206 6.208 10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 162 0.210 6.931 8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -0.592 8.482 10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -1.834 8.118 9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -1.838 7.417 10.562 1.00 0.00 H new ATOM 550 N VAL A 163 -0.453 5.048 4.026 1.00 0.00 N ATOM 551 CA VAL A 163 0.794 4.897 3.283 1.00 0.00 C ATOM 552 C VAL A 163 1.711 6.099 3.503 1.00 0.00 C ATOM 553 O VAL A 163 1.260 7.244 3.494 1.00 0.00 O ATOM 554 CB VAL A 163 0.535 4.731 1.774 1.00 0.00 C ATOM 555 CG1 VAL A 163 1.802 4.293 1.062 1.00 0.00 C ATOM 556 CG2 VAL A 163 -0.593 3.739 1.527 1.00 0.00 C ATOM 0 H VAL A 163 -0.735 6.015 4.186 1.00 0.00 H new ATOM 0 HA VAL A 163 1.280 3.997 3.659 1.00 0.00 H new ATOM 0 HB VAL A 163 0.231 5.697 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 163 1.600 4.181 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 163 2.579 5.044 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 163 2.138 3.340 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -0.759 3.637 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.323 2.770 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -1.505 4.099 2.003 1.00 0.00 H new ATOM 566 N MET A 164 3.000 5.831 3.703 1.00 0.00 N ATOM 567 CA MET A 164 3.974 6.895 3.927 1.00 0.00 C ATOM 568 C MET A 164 4.708 7.248 2.633 1.00 0.00 C ATOM 569 O MET A 164 5.559 6.496 2.163 1.00 0.00 O ATOM 570 CB MET A 164 4.973 6.485 5.018 1.00 0.00 C ATOM 571 CG MET A 164 5.987 5.438 4.580 1.00 0.00 C ATOM 572 SD MET A 164 7.604 6.150 4.211 1.00 0.00 S ATOM 573 CE MET A 164 8.637 5.258 5.372 1.00 0.00 C ATOM 0 H MET A 164 3.392 4.889 3.714 1.00 0.00 H new ATOM 0 HA MET A 164 3.436 7.782 4.262 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.508 7.373 5.356 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.419 6.101 5.875 1.00 0.00 H new ATOM 0 HG2 MET A 164 6.094 4.690 5.366 1.00 0.00 H new ATOM 0 HG3 MET A 164 5.612 4.921 3.697 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.671 5.587 5.267 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.295 5.454 6.388 1.00 0.00 H new ATOM 0 HE3 MET A 164 8.574 4.189 5.168 1.00 0.00 H new ATOM 583 N VAL A 165 4.370 8.401 2.061 1.00 0.00 N ATOM 584 CA VAL A 165 4.996 8.849 0.822 1.00 0.00 C ATOM 585 C VAL A 165 6.027 9.940 1.089 1.00 0.00 C ATOM 586 O VAL A 165 5.998 10.595 2.131 1.00 0.00 O ATOM 587 CB VAL A 165 3.954 9.381 -0.183 1.00 0.00 C ATOM 588 CG1 VAL A 165 4.565 9.508 -1.569 1.00 0.00 C ATOM 589 CG2 VAL A 165 2.729 8.478 -0.214 1.00 0.00 C ATOM 0 H VAL A 165 3.668 9.040 2.435 1.00 0.00 H new ATOM 0 HA VAL A 165 5.491 7.979 0.391 1.00 0.00 H new ATOM 0 HB VAL A 165 3.638 10.372 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 165 3.815 9.885 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 165 5.407 10.200 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 165 4.912 8.531 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.006 8.870 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 165 3.026 7.473 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 165 2.277 8.444 0.777 1.00 0.00 H new ATOM 599 N THR A 166 6.936 10.130 0.137 1.00 0.00 N ATOM 600 CA THR A 166 7.977 11.144 0.267 1.00 0.00 C ATOM 601 C THR A 166 7.561 12.440 -0.420 1.00 0.00 C ATOM 602 O THR A 166 6.882 12.418 -1.447 1.00 0.00 O ATOM 603 CB THR A 166 9.290 10.633 -0.332 1.00 0.00 C ATOM 604 OG1 THR A 166 9.240 10.665 -1.747 1.00 0.00 O ATOM 605 CG2 THR A 166 9.629 9.218 0.084 1.00 0.00 C ATOM 0 H THR A 166 6.973 9.596 -0.731 1.00 0.00 H new ATOM 0 HA THR A 166 8.124 11.348 1.328 1.00 0.00 H new ATOM 0 HB THR A 166 10.061 11.300 0.052 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.088 10.337 -2.112 1.00 0.00 H new ATOM 0 HG21 THR A 166 10.571 8.919 -0.376 1.00 0.00 H new ATOM 0 HG22 THR A 166 9.724 9.171 1.169 1.00 0.00 H new ATOM 0 HG23 THR A 166 8.837 8.544 -0.241 1.00 0.00 H new ATOM 613 N ILE A 167 7.972 13.566 0.152 1.00 0.00 N ATOM 614 CA ILE A 167 7.642 14.872 -0.406 1.00 0.00 C ATOM 615 C ILE A 167 8.897 15.595 -0.890 1.00 0.00 C ATOM 616 O ILE A 167 8.873 16.286 -1.907 1.00 0.00 O ATOM 617 CB ILE A 167 6.903 15.751 0.627 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.290 16.982 -0.053 1.00 0.00 C ATOM 619 CG2 ILE A 167 7.839 16.160 1.759 1.00 0.00 C ATOM 620 CD1 ILE A 167 7.301 18.039 -0.450 1.00 0.00 C ATOM 0 H ILE A 167 8.535 13.601 1.002 1.00 0.00 H new ATOM 0 HA ILE A 167 6.982 14.702 -1.257 1.00 0.00 H new ATOM 0 HB ILE A 167 6.093 15.164 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 167 5.749 16.660 -0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 167 5.559 17.429 0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 167 7.297 16.778 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 167 8.214 15.268 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 167 8.677 16.726 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 167 6.786 18.875 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 167 7.826 18.392 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 167 8.019 17.611 -1.150 1.00 0.00 H new ATOM 632 N PHE A 168 9.991 15.427 -0.155 1.00 0.00 N ATOM 633 CA PHE A 168 11.257 16.060 -0.510 1.00 0.00 C ATOM 634 C PHE A 168 12.411 15.451 0.282 1.00 0.00 C ATOM 635 O PHE A 168 12.901 16.045 1.242 1.00 0.00 O ATOM 636 CB PHE A 168 11.185 17.566 -0.255 1.00 0.00 C ATOM 637 CG PHE A 168 12.138 18.363 -1.100 1.00 0.00 C ATOM 638 CD1 PHE A 168 12.035 18.352 -2.482 1.00 0.00 C ATOM 639 CD2 PHE A 168 13.135 19.126 -0.512 1.00 0.00 C ATOM 640 CE1 PHE A 168 12.910 19.085 -3.262 1.00 0.00 C ATOM 641 CE2 PHE A 168 14.012 19.860 -1.287 1.00 0.00 C ATOM 642 CZ PHE A 168 13.899 19.841 -2.663 1.00 0.00 C ATOM 0 H PHE A 168 10.027 14.858 0.691 1.00 0.00 H new ATOM 0 HA PHE A 168 11.438 15.886 -1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 168 10.168 17.910 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 168 11.396 17.759 0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 168 11.262 17.764 -2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 168 13.227 19.147 0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 168 12.820 19.067 -4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 168 14.786 20.449 -0.817 1.00 0.00 H new ATOM 0 HZ PHE A 168 14.583 20.416 -3.270 1.00 0.00 H new ATOM 652 N GLY A 169 12.838 14.261 -0.130 1.00 0.00 N ATOM 653 CA GLY A 169 13.931 13.590 0.551 1.00 0.00 C ATOM 654 C GLY A 169 13.589 13.230 1.983 1.00 0.00 C ATOM 655 O GLY A 169 14.476 13.125 2.832 1.00 0.00 O ATOM 0 H GLY A 169 12.448 13.750 -0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 169 14.193 12.684 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.810 14.234 0.542 1.00 0.00 H new ATOM 659 N ARG A 170 12.302 13.041 2.256 1.00 0.00 N ATOM 660 CA ARG A 170 11.849 12.692 3.597 1.00 0.00 C ATOM 661 C ARG A 170 10.459 12.062 3.555 1.00 0.00 C ATOM 662 O ARG A 170 9.574 12.535 2.842 1.00 0.00 O ATOM 663 CB ARG A 170 11.836 13.934 4.492 1.00 0.00 C ATOM 664 CG ARG A 170 12.579 13.744 5.804 1.00 0.00 C ATOM 665 CD ARG A 170 11.620 13.618 6.977 1.00 0.00 C ATOM 666 NE ARG A 170 11.051 14.908 7.361 1.00 0.00 N ATOM 667 CZ ARG A 170 10.484 15.147 8.542 1.00 0.00 C ATOM 668 NH1 ARG A 170 10.406 14.187 9.456 1.00 0.00 N ATOM 669 NH2 ARG A 170 9.992 16.350 8.810 1.00 0.00 N ATOM 0 H ARG A 170 11.555 13.124 1.566 1.00 0.00 H new ATOM 0 HA ARG A 170 12.545 11.962 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 170 12.281 14.768 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 170 10.803 14.208 4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 170 13.201 12.851 5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 170 13.248 14.588 5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 170 10.816 12.931 6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 170 12.144 13.185 7.829 1.00 0.00 H new ATOM 0 HE ARG A 170 11.090 15.670 6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 170 10.782 13.260 9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 170 9.971 14.376 10.359 1.00 0.00 H new ATOM 0 HH21 ARG A 170 10.048 17.091 8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 170 9.558 16.533 9.714 1.00 0.00 H new ATOM 683 N GLU A 171 10.276 10.993 4.324 1.00 0.00 N ATOM 684 CA GLU A 171 8.994 10.300 4.376 1.00 0.00 C ATOM 685 C GLU A 171 7.886 11.240 4.837 1.00 0.00 C ATOM 686 O GLU A 171 8.154 12.333 5.336 1.00 0.00 O ATOM 687 CB GLU A 171 9.081 9.094 5.313 1.00 0.00 C ATOM 688 CG GLU A 171 9.777 9.396 6.630 1.00 0.00 C ATOM 689 CD GLU A 171 11.216 8.919 6.650 1.00 0.00 C ATOM 690 OE1 GLU A 171 11.824 8.821 5.565 1.00 0.00 O ATOM 691 OE2 GLU A 171 11.735 8.644 7.753 1.00 0.00 O ATOM 0 H GLU A 171 10.999 10.588 4.919 1.00 0.00 H new ATOM 0 HA GLU A 171 8.755 9.953 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 171 8.074 8.731 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 171 9.613 8.289 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.751 10.470 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 171 9.229 8.921 7.444 1.00 0.00 H new ATOM 698 N THR A 172 6.640 10.809 4.669 1.00 0.00 N ATOM 699 CA THR A 172 5.492 11.614 5.069 1.00 0.00 C ATOM 700 C THR A 172 4.247 10.745 5.243 1.00 0.00 C ATOM 701 O THR A 172 3.431 10.626 4.330 1.00 0.00 O ATOM 702 CB THR A 172 5.224 12.706 4.032 1.00 0.00 C ATOM 703 OG1 THR A 172 6.428 13.361 3.671 1.00 0.00 O ATOM 704 CG2 THR A 172 4.252 13.762 4.511 1.00 0.00 C ATOM 0 H THR A 172 6.400 9.907 4.259 1.00 0.00 H new ATOM 0 HA THR A 172 5.723 12.079 6.027 1.00 0.00 H new ATOM 0 HB THR A 172 4.783 12.191 3.178 1.00 0.00 H new ATOM 0 HG1 THR A 172 7.043 13.359 4.434 1.00 0.00 H new ATOM 0 HG21 THR A 172 4.107 14.505 3.727 1.00 0.00 H new ATOM 0 HG22 THR A 172 3.296 13.295 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 172 4.651 14.247 5.402 1.00 0.00 H new ATOM 712 N PRO A 173 4.086 10.125 6.427 1.00 0.00 N ATOM 713 CA PRO A 173 2.932 9.265 6.716 1.00 0.00 C ATOM 714 C PRO A 173 1.609 10.007 6.560 1.00 0.00 C ATOM 715 O PRO A 173 1.357 10.999 7.243 1.00 0.00 O ATOM 716 CB PRO A 173 3.143 8.855 8.179 1.00 0.00 C ATOM 717 CG PRO A 173 4.598 9.053 8.429 1.00 0.00 C ATOM 718 CD PRO A 173 5.012 10.213 7.569 1.00 0.00 C ATOM 0 HA PRO A 173 2.873 8.420 6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 173 2.540 9.466 8.851 1.00 0.00 H new ATOM 0 HB3 PRO A 173 2.852 7.818 8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 173 4.788 9.261 9.482 1.00 0.00 H new ATOM 0 HG3 PRO A 173 5.163 8.157 8.174 1.00 0.00 H new ATOM 0 HD2 PRO A 173 4.914 11.162 8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 173 6.052 10.130 7.253 1.00 0.00 H new ATOM 726 N VAL A 174 0.765 9.521 5.654 1.00 0.00 N ATOM 727 CA VAL A 174 -0.531 10.141 5.409 1.00 0.00 C ATOM 728 C VAL A 174 -1.605 9.091 5.144 1.00 0.00 C ATOM 729 O VAL A 174 -1.318 8.008 4.634 1.00 0.00 O ATOM 730 CB VAL A 174 -0.472 11.104 4.209 1.00 0.00 C ATOM 731 CG1 VAL A 174 0.343 12.342 4.552 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.101 10.401 2.988 1.00 0.00 C ATOM 0 H VAL A 174 0.956 8.701 5.079 1.00 0.00 H new ATOM 0 HA VAL A 174 -0.787 10.701 6.309 1.00 0.00 H new ATOM 0 HB VAL A 174 -1.488 11.422 3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 174 0.372 13.009 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -0.116 12.858 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 174 1.358 12.047 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.135 11.097 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 174 1.109 10.050 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -0.530 9.551 2.728 1.00 0.00 H new ATOM 742 N GLU A 175 -2.847 9.423 5.487 1.00 0.00 N ATOM 743 CA GLU A 175 -3.966 8.510 5.279 1.00 0.00 C ATOM 744 C GLU A 175 -4.487 8.618 3.851 1.00 0.00 C ATOM 745 O GLU A 175 -4.527 9.704 3.275 1.00 0.00 O ATOM 746 CB GLU A 175 -5.089 8.813 6.273 1.00 0.00 C ATOM 747 CG GLU A 175 -6.297 7.900 6.123 1.00 0.00 C ATOM 748 CD GLU A 175 -6.667 7.202 7.418 1.00 0.00 C ATOM 749 OE1 GLU A 175 -6.089 6.132 7.702 1.00 0.00 O ATOM 750 OE2 GLU A 175 -7.535 7.726 8.148 1.00 0.00 O ATOM 0 H GLU A 175 -3.103 10.316 5.909 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.614 7.492 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -4.700 8.723 7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -5.408 9.847 6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -7.148 8.485 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -6.089 7.152 5.358 1.00 0.00 H new ATOM 757 N LEU A 176 -4.880 7.483 3.279 1.00 0.00 N ATOM 758 CA LEU A 176 -5.390 7.453 1.913 1.00 0.00 C ATOM 759 C LEU A 176 -6.353 6.297 1.709 1.00 0.00 C ATOM 760 O LEU A 176 -6.870 5.719 2.665 1.00 0.00 O ATOM 761 CB LEU A 176 -4.245 7.300 0.907 1.00 0.00 C ATOM 762 CG LEU A 176 -2.843 7.604 1.440 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.376 6.503 2.379 1.00 0.00 C ATOM 764 CD2 LEU A 176 -1.864 7.775 0.288 1.00 0.00 C ATOM 0 H LEU A 176 -4.855 6.574 3.740 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.910 8.397 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -4.255 6.278 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.441 7.957 0.060 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.883 8.537 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.377 6.738 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -3.064 6.427 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.351 5.554 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -0.871 7.991 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -1.829 6.857 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -2.189 8.600 -0.346 1.00 0.00 H new ATOM 776 N ASP A 177 -6.562 5.952 0.443 1.00 0.00 N ATOM 777 CA ASP A 177 -7.426 4.850 0.086 1.00 0.00 C ATOM 778 C ASP A 177 -6.970 4.228 -1.228 1.00 0.00 C ATOM 779 O ASP A 177 -6.340 4.889 -2.052 1.00 0.00 O ATOM 780 CB ASP A 177 -8.885 5.304 -0.020 1.00 0.00 C ATOM 781 CG ASP A 177 -9.264 6.311 1.049 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.746 7.447 1.005 1.00 0.00 O ATOM 783 OD2 ASP A 177 -10.081 5.965 1.928 1.00 0.00 O ATOM 0 H ASP A 177 -6.138 6.428 -0.353 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.362 4.100 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -9.054 5.743 -1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.538 4.435 0.057 1.00 0.00 H new ATOM 788 N PHE A 178 -7.286 2.955 -1.410 1.00 0.00 N ATOM 789 CA PHE A 178 -6.909 2.226 -2.620 1.00 0.00 C ATOM 790 C PHE A 178 -7.253 3.017 -3.881 1.00 0.00 C ATOM 791 O PHE A 178 -6.610 2.857 -4.919 1.00 0.00 O ATOM 792 CB PHE A 178 -7.609 0.866 -2.657 1.00 0.00 C ATOM 793 CG PHE A 178 -6.834 -0.229 -1.980 1.00 0.00 C ATOM 794 CD1 PHE A 178 -5.709 -0.771 -2.578 1.00 0.00 C ATOM 795 CD2 PHE A 178 -7.236 -0.716 -0.746 1.00 0.00 C ATOM 796 CE1 PHE A 178 -4.995 -1.780 -1.958 1.00 0.00 C ATOM 797 CE2 PHE A 178 -6.527 -1.725 -0.122 1.00 0.00 C ATOM 798 CZ PHE A 178 -5.406 -2.258 -0.728 1.00 0.00 C ATOM 0 H PHE A 178 -7.806 2.398 -0.732 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.829 2.080 -2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.585 0.956 -2.181 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -7.786 0.586 -3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -5.385 -0.401 -3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -8.112 -0.303 -0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -4.118 -2.194 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -6.849 -2.097 0.839 1.00 0.00 H new ATOM 0 HZ PHE A 178 -4.852 -3.047 -0.242 1.00 0.00 H new ATOM 808 N SER A 179 -8.273 3.867 -3.789 1.00 0.00 N ATOM 809 CA SER A 179 -8.701 4.676 -4.927 1.00 0.00 C ATOM 810 C SER A 179 -7.781 5.879 -5.143 1.00 0.00 C ATOM 811 O SER A 179 -7.972 6.652 -6.081 1.00 0.00 O ATOM 812 CB SER A 179 -10.139 5.154 -4.723 1.00 0.00 C ATOM 813 OG SER A 179 -10.703 5.614 -5.939 1.00 0.00 O ATOM 0 H SER A 179 -8.818 4.013 -2.939 1.00 0.00 H new ATOM 0 HA SER A 179 -8.648 4.048 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.743 4.339 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.157 5.955 -3.984 1.00 0.00 H new ATOM 0 HG SER A 179 -10.041 6.150 -6.424 1.00 0.00 H new ATOM 819 N GLN A 180 -6.785 6.036 -4.274 1.00 0.00 N ATOM 820 CA GLN A 180 -5.845 7.147 -4.379 1.00 0.00 C ATOM 821 C GLN A 180 -4.402 6.651 -4.451 1.00 0.00 C ATOM 822 O GLN A 180 -3.461 7.433 -4.307 1.00 0.00 O ATOM 823 CB GLN A 180 -6.011 8.090 -3.185 1.00 0.00 C ATOM 824 CG GLN A 180 -7.385 8.736 -3.107 1.00 0.00 C ATOM 825 CD GLN A 180 -7.525 9.661 -1.913 1.00 0.00 C ATOM 826 OE1 GLN A 180 -6.738 10.590 -1.736 1.00 0.00 O ATOM 827 NE2 GLN A 180 -8.534 9.410 -1.085 1.00 0.00 N ATOM 0 H GLN A 180 -6.609 5.408 -3.490 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.065 7.685 -5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -5.827 7.534 -2.265 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.254 8.872 -3.242 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.571 9.298 -4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -8.146 7.958 -3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -9.163 8.629 -1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -8.679 9.999 -0.265 1.00 0.00 H new ATOM 836 N VAL A 181 -4.229 5.350 -4.678 1.00 0.00 N ATOM 837 CA VAL A 181 -2.897 4.765 -4.769 1.00 0.00 C ATOM 838 C VAL A 181 -2.856 3.648 -5.808 1.00 0.00 C ATOM 839 O VAL A 181 -3.892 3.103 -6.189 1.00 0.00 O ATOM 840 CB VAL A 181 -2.438 4.202 -3.410 1.00 0.00 C ATOM 841 CG1 VAL A 181 -2.155 5.333 -2.433 1.00 0.00 C ATOM 842 CG2 VAL A 181 -3.481 3.249 -2.849 1.00 0.00 C ATOM 0 H VAL A 181 -4.993 4.685 -4.802 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.220 5.564 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.514 3.644 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.832 4.917 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.369 5.973 -2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -3.061 5.921 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -3.140 2.861 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.423 3.780 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.629 2.422 -3.543 1.00 0.00 H new ATOM 852 N VAL A 182 -1.651 3.312 -6.260 1.00 0.00 N ATOM 853 CA VAL A 182 -1.476 2.259 -7.254 1.00 0.00 C ATOM 854 C VAL A 182 -0.230 1.428 -6.959 1.00 0.00 C ATOM 855 O VAL A 182 0.757 1.938 -6.428 1.00 0.00 O ATOM 856 CB VAL A 182 -1.365 2.841 -8.675 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.665 3.519 -9.077 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.199 3.813 -8.766 1.00 0.00 C ATOM 0 H VAL A 182 -0.783 3.753 -5.954 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.358 1.621 -7.199 1.00 0.00 H new ATOM 0 HB VAL A 182 -1.179 2.021 -9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.568 3.924 -10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.477 2.792 -9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.884 4.328 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.137 4.213 -9.778 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.351 4.630 -8.061 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.728 3.293 -8.524 1.00 0.00 H new ATOM 868 N LYS A 183 -0.282 0.148 -7.308 1.00 0.00 N ATOM 869 CA LYS A 183 0.843 -0.754 -7.079 1.00 0.00 C ATOM 870 C LYS A 183 2.088 -0.268 -7.813 1.00 0.00 C ATOM 871 O LYS A 183 2.021 0.117 -8.981 1.00 0.00 O ATOM 872 CB LYS A 183 0.490 -2.170 -7.533 1.00 0.00 C ATOM 873 CG LYS A 183 1.562 -3.197 -7.210 1.00 0.00 C ATOM 874 CD LYS A 183 2.487 -3.428 -8.395 1.00 0.00 C ATOM 875 CE LYS A 183 2.834 -4.900 -8.554 1.00 0.00 C ATOM 876 NZ LYS A 183 3.903 -5.326 -7.610 1.00 0.00 N ATOM 0 H LYS A 183 -1.090 -0.290 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 183 1.054 -0.765 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.445 -2.472 -7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.316 -2.165 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.144 -2.859 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 183 1.092 -4.138 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 183 2.010 -3.065 -9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 183 3.402 -2.850 -8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 183 1.941 -5.503 -8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.158 -5.088 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.109 -6.335 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 4.763 -4.769 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.584 -5.172 -6.632 1.00 0.00 H new ATOM 890 N ALA A 184 3.222 -0.288 -7.121 1.00 0.00 N ATOM 891 CA ALA A 184 4.482 0.150 -7.708 1.00 0.00 C ATOM 892 C ALA A 184 5.610 -0.820 -7.377 1.00 0.00 C ATOM 893 O ALA A 184 5.308 -1.986 -7.045 1.00 0.00 O ATOM 894 CB ALA A 184 4.830 1.551 -7.225 1.00 0.00 C ATOM 895 OXT ALA A 184 6.787 -0.407 -7.451 1.00 0.00 O ATOM 0 H ALA A 184 3.294 -0.603 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 184 4.362 0.169 -8.791 1.00 0.00 H new ATOM 0 HB1 ALA A 184 5.773 1.866 -7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.041 2.243 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 184 4.925 1.548 -6.139 1.00 0.00 H new