USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -2.04 K(o=-2,f=-4.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 107 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=-0.21) USER MOD Single : A 109 MET CE :methyl 140:sc= -2.4 (180deg=-4.82!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -2.16! USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -2.83! C(o=-2.8!,f=-6.3!) USER MOD Single : A 137 ASN : amide:sc= -9.3! C(o=-9.3!,f=-10!) USER MOD Single : A 138 TYR OH : rot 180:sc= -1.27! USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 144 MET CE :methyl 170:sc=-0.00356 (180deg=-0.183) USER MOD Single : A 145 MET CE :methyl -165:sc= -0.449 (180deg=-1.45) USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.085 USER MOD ----------------------------------------------------------------- ATOM 106 N GLU A 83 -15.439 -1.582 0.491 1.00 0.00 N ATOM 107 CA GLU A 83 -14.966 -0.730 1.610 1.00 0.00 C ATOM 108 C GLU A 83 -13.687 -1.335 2.186 1.00 0.00 C ATOM 109 O GLU A 83 -12.825 -0.639 2.686 1.00 0.00 O ATOM 110 CB GLU A 83 -16.039 -0.673 2.701 1.00 0.00 C ATOM 111 CG GLU A 83 -15.680 0.416 3.714 1.00 0.00 C ATOM 112 CD GLU A 83 -16.353 0.111 5.054 1.00 0.00 C ATOM 113 OE1 GLU A 83 -16.169 -0.989 5.550 1.00 0.00 O ATOM 114 OE2 GLU A 83 -17.042 0.981 5.561 1.00 0.00 O ATOM 0 HA GLU A 83 -14.769 0.279 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.013 -0.465 2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -16.116 -1.638 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.599 0.466 3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.003 1.390 3.346 1.00 0.00 H new ATOM 121 N GLU A 84 -13.559 -2.632 2.114 1.00 0.00 N ATOM 122 CA GLU A 84 -12.340 -3.295 2.651 1.00 0.00 C ATOM 123 C GLU A 84 -11.097 -2.640 2.046 1.00 0.00 C ATOM 124 O GLU A 84 -10.021 -2.696 2.606 1.00 0.00 O ATOM 125 CB GLU A 84 -12.365 -4.780 2.289 1.00 0.00 C ATOM 126 CG GLU A 84 -12.394 -5.616 3.571 1.00 0.00 C ATOM 127 CD GLU A 84 -13.539 -5.138 4.468 1.00 0.00 C ATOM 128 OE1 GLU A 84 -14.566 -4.757 3.932 1.00 0.00 O ATOM 129 OE2 GLU A 84 -13.367 -5.161 5.675 1.00 0.00 O ATOM 0 H GLU A 84 -14.249 -3.262 1.705 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.315 -3.188 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.240 -5.002 1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.488 -5.036 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.525 -6.670 3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.444 -5.526 4.098 1.00 0.00 H new ATOM 136 N ILE A 85 -11.238 -2.017 0.909 1.00 0.00 N ATOM 137 CA ILE A 85 -10.069 -1.354 0.273 1.00 0.00 C ATOM 138 C ILE A 85 -9.862 0.017 0.916 1.00 0.00 C ATOM 139 O ILE A 85 -8.749 0.450 1.138 1.00 0.00 O ATOM 140 CB ILE A 85 -10.332 -1.183 -1.223 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.721 -2.530 -1.823 1.00 0.00 C ATOM 142 CG2 ILE A 85 -9.070 -0.663 -1.913 1.00 0.00 C ATOM 143 CD1 ILE A 85 -11.891 -2.341 -2.790 1.00 0.00 C ATOM 0 H ILE A 85 -12.115 -1.939 0.393 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.177 -1.964 0.414 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.142 -0.468 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.870 -2.966 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.999 -3.226 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.262 -0.543 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.791 0.299 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.257 -1.375 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -12.168 -3.304 -3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.743 -1.924 -2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.597 -1.660 -3.589 1.00 0.00 H new ATOM 155 N ARG A 86 -10.932 0.699 1.224 1.00 0.00 N ATOM 156 CA ARG A 86 -10.804 2.039 1.860 1.00 0.00 C ATOM 157 C ARG A 86 -10.083 1.891 3.201 1.00 0.00 C ATOM 158 O ARG A 86 -9.362 2.771 3.629 1.00 0.00 O ATOM 159 CB ARG A 86 -12.197 2.632 2.088 1.00 0.00 C ATOM 160 CG ARG A 86 -12.839 2.970 0.740 1.00 0.00 C ATOM 161 CD ARG A 86 -13.647 4.265 0.867 1.00 0.00 C ATOM 162 NE ARG A 86 -13.732 4.930 -0.464 1.00 0.00 N ATOM 163 CZ ARG A 86 -13.788 6.232 -0.542 1.00 0.00 C ATOM 164 NH1 ARG A 86 -14.377 6.919 0.399 1.00 0.00 N ATOM 165 NH2 ARG A 86 -13.256 6.847 -1.563 1.00 0.00 N ATOM 0 H ARG A 86 -11.889 0.385 1.062 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.234 2.702 1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.821 1.922 2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.125 3.529 2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.069 3.083 -0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.488 2.155 0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.647 4.047 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.175 4.931 1.589 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.746 4.367 -1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.794 6.439 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.420 7.936 0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.797 6.310 -2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.299 7.864 -1.625 1.00 0.00 H new ATOM 179 N GLU A 87 -10.265 0.781 3.866 1.00 0.00 N ATOM 180 CA GLU A 87 -9.581 0.580 5.176 1.00 0.00 C ATOM 181 C GLU A 87 -8.222 -0.073 4.936 1.00 0.00 C ATOM 182 O GLU A 87 -7.262 0.216 5.617 1.00 0.00 O ATOM 183 CB GLU A 87 -10.434 -0.315 6.082 1.00 0.00 C ATOM 184 CG GLU A 87 -11.054 -1.444 5.256 1.00 0.00 C ATOM 185 CD GLU A 87 -11.107 -2.722 6.097 1.00 0.00 C ATOM 186 OE1 GLU A 87 -10.049 -3.235 6.423 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.202 -3.164 6.400 1.00 0.00 O ATOM 0 H GLU A 87 -10.856 0.008 3.560 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.444 1.544 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.820 -0.731 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.218 0.274 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.058 -1.165 4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.466 -1.614 4.354 1.00 0.00 H new ATOM 194 N ALA A 88 -8.125 -0.937 3.963 1.00 0.00 N ATOM 195 CA ALA A 88 -6.819 -1.583 3.673 1.00 0.00 C ATOM 196 C ALA A 88 -5.840 -0.496 3.240 1.00 0.00 C ATOM 197 O ALA A 88 -4.640 -0.640 3.348 1.00 0.00 O ATOM 198 CB ALA A 88 -6.987 -2.602 2.544 1.00 0.00 C ATOM 0 H ALA A 88 -8.895 -1.222 3.358 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.447 -2.099 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.027 -3.074 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.707 -3.363 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.346 -2.096 1.648 1.00 0.00 H new ATOM 204 N PHE A 89 -6.354 0.603 2.758 1.00 0.00 N ATOM 205 CA PHE A 89 -5.473 1.711 2.327 1.00 0.00 C ATOM 206 C PHE A 89 -4.827 2.334 3.557 1.00 0.00 C ATOM 207 O PHE A 89 -3.621 2.448 3.656 1.00 0.00 O ATOM 208 CB PHE A 89 -6.295 2.776 1.610 1.00 0.00 C ATOM 209 CG PHE A 89 -5.398 3.947 1.310 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.464 3.849 0.279 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.492 5.119 2.066 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.619 4.925 -0.007 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.647 6.201 1.782 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.709 6.103 0.745 1.00 0.00 C ATOM 0 H PHE A 89 -7.353 0.776 2.646 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.710 1.325 1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.715 2.374 0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.133 3.090 2.232 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.393 2.940 -0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.213 5.191 2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.898 4.848 -0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.719 7.109 2.362 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.056 6.935 0.526 1.00 0.00 H new ATOM 224 N ARG A 90 -5.630 2.733 4.496 1.00 0.00 N ATOM 225 CA ARG A 90 -5.092 3.347 5.736 1.00 0.00 C ATOM 226 C ARG A 90 -4.250 2.308 6.475 1.00 0.00 C ATOM 227 O ARG A 90 -3.323 2.635 7.189 1.00 0.00 O ATOM 228 CB ARG A 90 -6.264 3.781 6.614 1.00 0.00 C ATOM 229 CG ARG A 90 -6.211 5.289 6.840 1.00 0.00 C ATOM 230 CD ARG A 90 -6.923 5.638 8.152 1.00 0.00 C ATOM 231 NE ARG A 90 -8.038 4.674 8.395 1.00 0.00 N ATOM 232 CZ ARG A 90 -9.196 5.105 8.818 1.00 0.00 C ATOM 233 NH1 ARG A 90 -10.031 5.660 7.985 1.00 0.00 N ATOM 234 NH2 ARG A 90 -9.521 4.971 10.075 1.00 0.00 N ATOM 0 H ARG A 90 -6.647 2.660 4.458 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.473 4.212 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.206 3.508 6.139 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.226 3.259 7.570 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.175 5.625 6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.686 5.809 6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.215 5.606 8.980 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.313 6.655 8.105 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.895 3.678 8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.780 5.758 7.001 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.935 5.996 8.317 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.871 4.530 10.726 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.425 5.307 10.407 1.00 0.00 H new ATOM 248 N VAL A 91 -4.560 1.052 6.294 1.00 0.00 N ATOM 249 CA VAL A 91 -3.772 -0.012 6.968 1.00 0.00 C ATOM 250 C VAL A 91 -2.291 0.287 6.738 1.00 0.00 C ATOM 251 O VAL A 91 -1.446 0.005 7.564 1.00 0.00 O ATOM 252 CB VAL A 91 -4.150 -1.373 6.366 1.00 0.00 C ATOM 253 CG1 VAL A 91 -3.038 -2.391 6.612 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.441 -1.875 7.017 1.00 0.00 C ATOM 0 H VAL A 91 -5.326 0.720 5.708 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.979 -0.039 8.038 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.293 -1.254 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.321 -3.351 6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.116 -2.042 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.883 -2.508 7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.711 -2.841 6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.289 -1.982 8.091 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.243 -1.160 6.833 1.00 0.00 H new ATOM 264 N PHE A 92 -1.985 0.886 5.621 1.00 0.00 N ATOM 265 CA PHE A 92 -0.576 1.247 5.319 1.00 0.00 C ATOM 266 C PHE A 92 -0.375 2.722 5.671 1.00 0.00 C ATOM 267 O PHE A 92 0.655 3.121 6.178 1.00 0.00 O ATOM 268 CB PHE A 92 -0.308 1.034 3.828 1.00 0.00 C ATOM 269 CG PHE A 92 -0.277 -0.446 3.531 1.00 0.00 C ATOM 270 CD1 PHE A 92 0.917 -1.163 3.667 1.00 0.00 C ATOM 271 CD2 PHE A 92 -1.444 -1.100 3.122 1.00 0.00 C ATOM 272 CE1 PHE A 92 0.945 -2.535 3.392 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.418 -2.473 2.847 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.222 -3.190 2.983 1.00 0.00 C ATOM 0 H PHE A 92 -2.659 1.142 4.899 1.00 0.00 H new ATOM 0 HA PHE A 92 0.109 0.626 5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.083 1.519 3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.641 1.492 3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.817 -0.658 3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.365 -0.546 3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.867 -3.088 3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.319 -2.978 2.531 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.201 -4.249 2.772 1.00 0.00 H new ATOM 284 N ASP A 93 -1.369 3.529 5.413 1.00 0.00 N ATOM 285 CA ASP A 93 -1.273 4.978 5.734 1.00 0.00 C ATOM 286 C ASP A 93 -1.728 5.198 7.179 1.00 0.00 C ATOM 287 O ASP A 93 -2.900 5.369 7.449 1.00 0.00 O ATOM 288 CB ASP A 93 -2.184 5.756 4.783 1.00 0.00 C ATOM 289 CG ASP A 93 -1.860 7.248 4.866 1.00 0.00 C ATOM 290 OD1 ASP A 93 -1.267 7.652 5.853 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.212 7.962 3.941 1.00 0.00 O ATOM 0 H ASP A 93 -2.251 3.241 4.989 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.246 5.324 5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.048 5.401 3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.229 5.586 5.044 1.00 0.00 H new ATOM 296 N LYS A 94 -0.814 5.178 8.111 1.00 0.00 N ATOM 297 CA LYS A 94 -1.199 5.364 9.535 1.00 0.00 C ATOM 298 C LYS A 94 -1.308 6.850 9.862 1.00 0.00 C ATOM 299 O LYS A 94 -2.016 7.246 10.767 1.00 0.00 O ATOM 300 CB LYS A 94 -0.144 4.722 10.429 1.00 0.00 C ATOM 301 CG LYS A 94 -0.026 3.233 10.093 1.00 0.00 C ATOM 302 CD LYS A 94 -1.100 2.451 10.853 1.00 0.00 C ATOM 303 CE LYS A 94 -1.503 1.216 10.045 1.00 0.00 C ATOM 304 NZ LYS A 94 -1.948 0.139 10.975 1.00 0.00 N ATOM 0 H LYS A 94 0.183 5.041 7.945 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.167 4.893 9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.818 5.215 10.286 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.415 4.849 11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.142 3.081 9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.965 2.866 10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.723 2.151 11.831 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.970 3.084 11.027 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.306 1.467 9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.661 0.869 9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.222 -0.701 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.170 -0.107 11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.763 0.473 11.528 1.00 0.00 H new ATOM 318 N ASP A 95 -0.624 7.676 9.132 1.00 0.00 N ATOM 319 CA ASP A 95 -0.701 9.137 9.402 1.00 0.00 C ATOM 320 C ASP A 95 -1.993 9.691 8.796 1.00 0.00 C ATOM 321 O ASP A 95 -2.238 10.880 8.826 1.00 0.00 O ATOM 322 CB ASP A 95 0.500 9.843 8.768 1.00 0.00 C ATOM 323 CG ASP A 95 1.204 10.703 9.819 1.00 0.00 C ATOM 324 OD1 ASP A 95 1.782 10.134 10.730 1.00 0.00 O ATOM 325 OD2 ASP A 95 1.154 11.916 9.695 1.00 0.00 O ATOM 0 H ASP A 95 -0.014 7.406 8.360 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.693 9.309 10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.194 9.107 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.171 10.465 7.936 1.00 0.00 H new ATOM 330 N GLY A 96 -2.821 8.835 8.247 1.00 0.00 N ATOM 331 CA GLY A 96 -4.100 9.310 7.639 1.00 0.00 C ATOM 332 C GLY A 96 -3.859 10.627 6.897 1.00 0.00 C ATOM 333 O GLY A 96 -4.737 11.459 6.786 1.00 0.00 O ATOM 0 H GLY A 96 -2.665 7.828 8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.488 8.559 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.853 9.451 8.415 1.00 0.00 H new ATOM 337 N ASN A 97 -2.670 10.824 6.394 1.00 0.00 N ATOM 338 CA ASN A 97 -2.366 12.090 5.666 1.00 0.00 C ATOM 339 C ASN A 97 -3.039 12.068 4.292 1.00 0.00 C ATOM 340 O ASN A 97 -3.544 13.068 3.823 1.00 0.00 O ATOM 341 CB ASN A 97 -0.853 12.220 5.488 1.00 0.00 C ATOM 342 CG ASN A 97 -0.356 11.128 4.538 1.00 0.00 C ATOM 343 OD1 ASN A 97 -0.546 9.955 4.787 1.00 0.00 O ATOM 344 ND2 ASN A 97 0.279 11.469 3.449 1.00 0.00 N ATOM 0 H ASN A 97 -1.896 10.163 6.456 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.743 12.937 6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.606 13.204 5.089 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.354 12.133 6.453 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.615 10.750 2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.439 12.454 3.239 1.00 0.00 H new ATOM 351 N GLY A 98 -3.044 10.938 3.645 1.00 0.00 N ATOM 352 CA GLY A 98 -3.678 10.849 2.300 1.00 0.00 C ATOM 353 C GLY A 98 -2.901 9.849 1.445 1.00 0.00 C ATOM 354 O GLY A 98 -3.471 8.972 0.827 1.00 0.00 O ATOM 0 H GLY A 98 -2.636 10.069 3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.717 10.535 2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.683 11.828 1.821 1.00 0.00 H new ATOM 358 N TYR A 99 -1.602 9.968 1.412 1.00 0.00 N ATOM 359 CA TYR A 99 -0.790 9.021 0.607 1.00 0.00 C ATOM 360 C TYR A 99 -0.020 8.091 1.540 1.00 0.00 C ATOM 361 O TYR A 99 -0.058 8.221 2.746 1.00 0.00 O ATOM 362 CB TYR A 99 0.217 9.781 -0.258 1.00 0.00 C ATOM 363 CG TYR A 99 -0.485 10.839 -1.068 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.861 10.750 -1.308 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.247 11.914 -1.575 1.00 0.00 C ATOM 366 CE1 TYR A 99 -2.505 11.739 -2.057 1.00 0.00 C ATOM 367 CE2 TYR A 99 -0.394 12.905 -2.327 1.00 0.00 C ATOM 368 CZ TYR A 99 -1.772 12.818 -2.566 1.00 0.00 C ATOM 369 OH TYR A 99 -2.407 13.796 -3.304 1.00 0.00 O ATOM 0 H TYR A 99 -1.070 10.682 1.909 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.461 8.449 -0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.976 10.241 0.375 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.733 9.088 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.425 9.917 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.308 11.981 -1.387 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.567 11.671 -2.243 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.172 13.735 -2.722 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.754 14.473 -3.581 1.00 0.00 H new ATOM 379 N ILE A 100 0.682 7.153 0.977 1.00 0.00 N ATOM 380 CA ILE A 100 1.470 6.202 1.802 1.00 0.00 C ATOM 381 C ILE A 100 2.952 6.325 1.444 1.00 0.00 C ATOM 382 O ILE A 100 3.358 6.034 0.336 1.00 0.00 O ATOM 383 CB ILE A 100 0.984 4.788 1.507 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.468 4.654 1.985 1.00 0.00 C ATOM 385 CG2 ILE A 100 1.866 3.777 2.245 1.00 0.00 C ATOM 386 CD1 ILE A 100 -1.161 3.522 1.229 1.00 0.00 C ATOM 0 H ILE A 100 0.744 7.003 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 100 1.341 6.425 2.861 1.00 0.00 H new ATOM 0 HB ILE A 100 1.040 4.592 0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.491 4.455 3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.001 5.591 1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.517 2.766 2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.898 3.882 1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.812 3.962 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.191 3.432 1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.153 3.739 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.634 2.586 1.413 1.00 0.00 H new ATOM 398 N SER A 101 3.764 6.758 2.368 1.00 0.00 N ATOM 399 CA SER A 101 5.217 6.901 2.072 1.00 0.00 C ATOM 400 C SER A 101 5.900 5.536 2.176 1.00 0.00 C ATOM 401 O SER A 101 5.397 4.626 2.805 1.00 0.00 O ATOM 402 CB SER A 101 5.848 7.867 3.074 1.00 0.00 C ATOM 403 OG SER A 101 6.102 7.180 4.293 1.00 0.00 O ATOM 0 H SER A 101 3.485 7.019 3.314 1.00 0.00 H new ATOM 0 HA SER A 101 5.344 7.291 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.776 8.272 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.182 8.712 3.251 1.00 0.00 H new ATOM 0 HG SER A 101 6.508 7.796 4.937 1.00 0.00 H new ATOM 409 N ALA A 102 7.042 5.386 1.562 1.00 0.00 N ATOM 410 CA ALA A 102 7.756 4.079 1.623 1.00 0.00 C ATOM 411 C ALA A 102 7.895 3.642 3.077 1.00 0.00 C ATOM 412 O ALA A 102 7.816 2.472 3.388 1.00 0.00 O ATOM 413 CB ALA A 102 9.144 4.220 0.994 1.00 0.00 C ATOM 0 H ALA A 102 7.511 6.112 1.021 1.00 0.00 H new ATOM 0 HA ALA A 102 7.186 3.330 1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.663 3.263 1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.042 4.528 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.716 4.970 1.540 1.00 0.00 H new ATOM 419 N ALA A 103 8.097 4.565 3.973 1.00 0.00 N ATOM 420 CA ALA A 103 8.234 4.185 5.401 1.00 0.00 C ATOM 421 C ALA A 103 6.899 3.635 5.903 1.00 0.00 C ATOM 422 O ALA A 103 6.850 2.659 6.624 1.00 0.00 O ATOM 423 CB ALA A 103 8.629 5.412 6.225 1.00 0.00 C ATOM 0 H ALA A 103 8.173 5.563 3.777 1.00 0.00 H new ATOM 0 HA ALA A 103 9.006 3.423 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.729 5.130 7.273 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.580 5.803 5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.860 6.179 6.127 1.00 0.00 H new ATOM 429 N GLU A 104 5.812 4.249 5.520 1.00 0.00 N ATOM 430 CA GLU A 104 4.483 3.753 5.970 1.00 0.00 C ATOM 431 C GLU A 104 4.233 2.372 5.364 1.00 0.00 C ATOM 432 O GLU A 104 3.448 1.594 5.869 1.00 0.00 O ATOM 433 CB GLU A 104 3.395 4.722 5.503 1.00 0.00 C ATOM 434 CG GLU A 104 3.522 6.044 6.262 1.00 0.00 C ATOM 435 CD GLU A 104 2.133 6.646 6.474 1.00 0.00 C ATOM 436 OE1 GLU A 104 1.364 6.661 5.526 1.00 0.00 O ATOM 437 OE2 GLU A 104 1.859 7.081 7.580 1.00 0.00 O ATOM 0 H GLU A 104 5.788 5.071 4.916 1.00 0.00 H new ATOM 0 HA GLU A 104 4.463 3.684 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.486 4.897 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.410 4.287 5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.009 5.878 7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.149 6.738 5.702 1.00 0.00 H new ATOM 444 N LEU A 105 4.894 2.065 4.281 1.00 0.00 N ATOM 445 CA LEU A 105 4.696 0.736 3.635 1.00 0.00 C ATOM 446 C LEU A 105 5.614 -0.299 4.294 1.00 0.00 C ATOM 447 O LEU A 105 5.281 -1.462 4.393 1.00 0.00 O ATOM 448 CB LEU A 105 5.036 0.845 2.146 1.00 0.00 C ATOM 449 CG LEU A 105 4.681 -0.464 1.439 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.203 -0.447 1.043 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.539 -0.609 0.181 1.00 0.00 C ATOM 0 H LEU A 105 5.563 2.678 3.815 1.00 0.00 H new ATOM 0 HA LEU A 105 3.658 0.424 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.486 1.673 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.097 1.061 2.020 1.00 0.00 H new ATOM 0 HG LEU A 105 4.869 -1.302 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.951 -1.380 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.588 -0.339 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.016 0.390 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.288 -1.541 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.348 0.230 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.593 -0.619 0.459 1.00 0.00 H new ATOM 463 N ARG A 106 6.766 0.117 4.745 1.00 0.00 N ATOM 464 CA ARG A 106 7.707 -0.836 5.393 1.00 0.00 C ATOM 465 C ARG A 106 7.107 -1.311 6.723 1.00 0.00 C ATOM 466 O ARG A 106 7.286 -2.442 7.129 1.00 0.00 O ATOM 467 CB ARG A 106 9.049 -0.114 5.615 1.00 0.00 C ATOM 468 CG ARG A 106 9.687 -0.517 6.948 1.00 0.00 C ATOM 469 CD ARG A 106 11.040 0.179 7.091 1.00 0.00 C ATOM 470 NE ARG A 106 11.151 0.785 8.448 1.00 0.00 N ATOM 471 CZ ARG A 106 10.777 0.109 9.499 1.00 0.00 C ATOM 472 NH1 ARG A 106 11.439 -0.958 9.859 1.00 0.00 N ATOM 473 NH2 ARG A 106 9.742 0.499 10.190 1.00 0.00 N ATOM 0 H ARG A 106 7.096 1.081 4.691 1.00 0.00 H new ATOM 0 HA ARG A 106 7.873 -1.710 4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.730 -0.350 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.891 0.964 5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.034 -0.240 7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.815 -1.599 6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.847 -0.537 6.935 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.146 0.950 6.328 1.00 0.00 H new ATOM 0 HE ARG A 106 11.520 1.730 8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.248 -1.263 9.318 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.146 -1.487 10.681 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.225 1.332 9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.449 -0.029 11.012 1.00 0.00 H new ATOM 487 N HIS A 107 6.401 -0.450 7.401 1.00 0.00 N ATOM 488 CA HIS A 107 5.791 -0.840 8.703 1.00 0.00 C ATOM 489 C HIS A 107 4.836 -2.019 8.501 1.00 0.00 C ATOM 490 O HIS A 107 4.597 -2.796 9.404 1.00 0.00 O ATOM 491 CB HIS A 107 5.014 0.351 9.270 1.00 0.00 C ATOM 492 CG HIS A 107 4.207 -0.090 10.459 1.00 0.00 C ATOM 493 ND1 HIS A 107 4.779 -0.746 11.537 1.00 0.00 N ATOM 494 CD2 HIS A 107 2.871 0.027 10.757 1.00 0.00 C ATOM 495 CE1 HIS A 107 3.800 -0.996 12.426 1.00 0.00 C ATOM 496 NE2 HIS A 107 2.616 -0.546 12.000 1.00 0.00 N ATOM 0 H HIS A 107 6.219 0.510 7.109 1.00 0.00 H new ATOM 0 HA HIS A 107 6.579 -1.134 9.397 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.704 1.143 9.560 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.357 0.766 8.506 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.131 0.493 10.123 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.953 -1.499 13.369 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.719 -0.609 12.482 1.00 0.00 H new ATOM 504 N VAL A 108 4.274 -2.153 7.330 1.00 0.00 N ATOM 505 CA VAL A 108 3.323 -3.269 7.084 1.00 0.00 C ATOM 506 C VAL A 108 4.005 -4.388 6.290 1.00 0.00 C ATOM 507 O VAL A 108 3.486 -5.480 6.176 1.00 0.00 O ATOM 508 CB VAL A 108 2.136 -2.732 6.289 1.00 0.00 C ATOM 509 CG1 VAL A 108 1.034 -3.792 6.226 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.595 -1.474 6.971 1.00 0.00 C ATOM 0 H VAL A 108 4.434 -1.536 6.534 1.00 0.00 H new ATOM 0 HA VAL A 108 2.988 -3.675 8.038 1.00 0.00 H new ATOM 0 HB VAL A 108 2.460 -2.489 5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.189 -3.405 5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.419 -4.688 5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.709 -4.039 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.747 -1.089 6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.274 -1.719 7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.378 -0.717 7.012 1.00 0.00 H new ATOM 520 N MET A 109 5.159 -4.133 5.736 1.00 0.00 N ATOM 521 CA MET A 109 5.852 -5.195 4.950 1.00 0.00 C ATOM 522 C MET A 109 6.528 -6.183 5.905 1.00 0.00 C ATOM 523 O MET A 109 6.987 -7.234 5.500 1.00 0.00 O ATOM 524 CB MET A 109 6.913 -4.563 4.045 1.00 0.00 C ATOM 525 CG MET A 109 6.272 -3.487 3.167 1.00 0.00 C ATOM 526 SD MET A 109 6.475 -3.929 1.424 1.00 0.00 S ATOM 527 CE MET A 109 5.478 -5.438 1.455 1.00 0.00 C ATOM 0 H MET A 109 5.650 -3.241 5.793 1.00 0.00 H new ATOM 0 HA MET A 109 5.119 -5.720 4.338 1.00 0.00 H new ATOM 0 HB2 MET A 109 7.707 -4.126 4.651 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.374 -5.328 3.420 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.213 -3.390 3.407 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.734 -2.519 3.364 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.884 -5.500 0.543 1.00 0.00 H new ATOM 0 HE2 MET A 109 6.134 -6.306 1.520 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.815 -5.418 2.320 1.00 0.00 H new ATOM 537 N THR A 110 6.603 -5.857 7.166 1.00 0.00 N ATOM 538 CA THR A 110 7.260 -6.780 8.133 1.00 0.00 C ATOM 539 C THR A 110 6.203 -7.582 8.897 1.00 0.00 C ATOM 540 O THR A 110 6.438 -8.706 9.293 1.00 0.00 O ATOM 541 CB THR A 110 8.093 -5.969 9.121 1.00 0.00 C ATOM 542 OG1 THR A 110 8.536 -6.815 10.174 1.00 0.00 O ATOM 543 CG2 THR A 110 7.237 -4.846 9.691 1.00 0.00 C ATOM 0 H THR A 110 6.238 -4.993 7.568 1.00 0.00 H new ATOM 0 HA THR A 110 7.903 -7.469 7.586 1.00 0.00 H new ATOM 0 HB THR A 110 8.959 -5.546 8.613 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.072 -6.295 10.808 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.826 -4.262 10.398 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.898 -4.200 8.881 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.373 -5.271 10.202 1.00 0.00 H new ATOM 551 N ASN A 111 5.045 -7.016 9.110 1.00 0.00 N ATOM 552 CA ASN A 111 3.984 -7.759 9.850 1.00 0.00 C ATOM 553 C ASN A 111 3.924 -9.196 9.335 1.00 0.00 C ATOM 554 O ASN A 111 3.865 -10.140 10.098 1.00 0.00 O ATOM 555 CB ASN A 111 2.631 -7.078 9.629 1.00 0.00 C ATOM 556 CG ASN A 111 1.903 -6.943 10.967 1.00 0.00 C ATOM 557 OD1 ASN A 111 1.409 -7.914 11.506 1.00 0.00 O ATOM 558 ND2 ASN A 111 1.814 -5.769 11.533 1.00 0.00 N ATOM 0 H ASN A 111 4.789 -6.077 8.806 1.00 0.00 H new ATOM 0 HA ASN A 111 4.215 -7.762 10.915 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.776 -6.095 9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.028 -7.660 8.932 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.331 -5.668 12.426 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.228 -4.953 11.082 1.00 0.00 H new ATOM 565 N LEU A 112 3.946 -9.370 8.043 1.00 0.00 N ATOM 566 CA LEU A 112 3.896 -10.746 7.473 1.00 0.00 C ATOM 567 C LEU A 112 4.334 -10.712 6.008 1.00 0.00 C ATOM 568 O LEU A 112 3.997 -11.581 5.229 1.00 0.00 O ATOM 569 CB LEU A 112 2.469 -11.291 7.565 1.00 0.00 C ATOM 570 CG LEU A 112 1.467 -10.172 7.271 1.00 0.00 C ATOM 571 CD1 LEU A 112 0.646 -10.534 6.033 1.00 0.00 C ATOM 572 CD2 LEU A 112 0.532 -10.002 8.470 1.00 0.00 C ATOM 0 H LEU A 112 3.997 -8.618 7.356 1.00 0.00 H new ATOM 0 HA LEU A 112 4.568 -11.392 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.335 -12.107 6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.290 -11.700 8.559 1.00 0.00 H new ATOM 0 HG LEU A 112 2.003 -9.241 7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.068 -9.737 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.311 -10.659 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.108 -11.465 6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.183 -9.206 8.264 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.004 -10.934 8.648 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.116 -9.745 9.354 1.00 0.00 H new ATOM 584 N GLY A 113 5.090 -9.718 5.630 1.00 0.00 N ATOM 585 CA GLY A 113 5.556 -9.632 4.218 1.00 0.00 C ATOM 586 C GLY A 113 7.076 -9.779 4.186 1.00 0.00 C ATOM 587 O GLY A 113 7.730 -9.396 3.235 1.00 0.00 O ATOM 0 H GLY A 113 5.405 -8.962 6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.089 -10.414 3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.261 -8.678 3.782 1.00 0.00 H new ATOM 591 N GLU A 114 7.645 -10.328 5.224 1.00 0.00 N ATOM 592 CA GLU A 114 9.125 -10.498 5.262 1.00 0.00 C ATOM 593 C GLU A 114 9.788 -9.122 5.350 1.00 0.00 C ATOM 594 O GLU A 114 9.295 -8.150 4.815 1.00 0.00 O ATOM 595 CB GLU A 114 9.591 -11.215 3.992 1.00 0.00 C ATOM 596 CG GLU A 114 8.659 -12.394 3.697 1.00 0.00 C ATOM 597 CD GLU A 114 9.359 -13.706 4.058 1.00 0.00 C ATOM 598 OE1 GLU A 114 10.566 -13.775 3.894 1.00 0.00 O ATOM 599 OE2 GLU A 114 8.676 -14.619 4.491 1.00 0.00 O ATOM 0 H GLU A 114 7.148 -10.666 6.048 1.00 0.00 H new ATOM 0 HA GLU A 114 9.404 -11.093 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.594 -10.522 3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.614 -11.569 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.737 -12.293 4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.382 -12.396 2.643 1.00 0.00 H new ATOM 606 N LYS A 115 10.898 -9.028 6.031 1.00 0.00 N ATOM 607 CA LYS A 115 11.585 -7.710 6.163 1.00 0.00 C ATOM 608 C LYS A 115 12.257 -7.333 4.839 1.00 0.00 C ATOM 609 O LYS A 115 13.445 -7.518 4.663 1.00 0.00 O ATOM 610 CB LYS A 115 12.647 -7.793 7.262 1.00 0.00 C ATOM 611 CG LYS A 115 12.256 -6.872 8.420 1.00 0.00 C ATOM 612 CD LYS A 115 13.509 -6.215 9.002 1.00 0.00 C ATOM 613 CE LYS A 115 13.554 -6.451 10.512 1.00 0.00 C ATOM 614 NZ LYS A 115 14.922 -6.152 11.022 1.00 0.00 N ATOM 0 H LYS A 115 11.359 -9.807 6.502 1.00 0.00 H new ATOM 0 HA LYS A 115 10.847 -6.951 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.740 -8.820 7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.620 -7.503 6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.562 -6.108 8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.740 -7.442 9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.401 -6.629 8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.504 -5.146 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.822 -5.817 11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.288 -7.484 10.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.952 -6.313 12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.611 -6.775 10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.159 -5.160 10.820 1.00 0.00 H new ATOM 628 N LEU A 116 11.511 -6.797 3.910 1.00 0.00 N ATOM 629 CA LEU A 116 12.124 -6.402 2.608 1.00 0.00 C ATOM 630 C LEU A 116 13.157 -5.306 2.857 1.00 0.00 C ATOM 631 O LEU A 116 13.049 -4.541 3.794 1.00 0.00 O ATOM 632 CB LEU A 116 11.047 -5.884 1.646 1.00 0.00 C ATOM 633 CG LEU A 116 10.572 -4.494 2.077 1.00 0.00 C ATOM 634 CD1 LEU A 116 9.722 -3.886 0.957 1.00 0.00 C ATOM 635 CD2 LEU A 116 9.729 -4.607 3.349 1.00 0.00 C ATOM 0 H LEU A 116 10.511 -6.616 3.995 1.00 0.00 H new ATOM 0 HA LEU A 116 12.604 -7.272 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.446 -5.841 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.204 -6.574 1.628 1.00 0.00 H new ATOM 0 HG LEU A 116 11.436 -3.859 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.380 -2.895 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.320 -3.804 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.860 -4.525 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.393 -3.615 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.863 -5.240 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.330 -5.046 4.146 1.00 0.00 H new ATOM 647 N THR A 117 14.156 -5.221 2.026 1.00 0.00 N ATOM 648 CA THR A 117 15.192 -4.171 2.223 1.00 0.00 C ATOM 649 C THR A 117 14.721 -2.866 1.585 1.00 0.00 C ATOM 650 O THR A 117 13.564 -2.706 1.253 1.00 0.00 O ATOM 651 CB THR A 117 16.502 -4.613 1.567 1.00 0.00 C ATOM 652 OG1 THR A 117 16.334 -4.663 0.158 1.00 0.00 O ATOM 653 CG2 THR A 117 16.892 -5.997 2.084 1.00 0.00 C ATOM 0 H THR A 117 14.300 -5.831 1.221 1.00 0.00 H new ATOM 0 HA THR A 117 15.354 -4.019 3.290 1.00 0.00 H new ATOM 0 HB THR A 117 17.289 -3.900 1.813 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.174 -4.944 -0.262 1.00 0.00 H new ATOM 0 HG21 THR A 117 17.825 -6.311 1.616 1.00 0.00 H new ATOM 0 HG22 THR A 117 17.024 -5.958 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.106 -6.711 1.840 1.00 0.00 H new ATOM 661 N ASP A 118 15.611 -1.933 1.411 1.00 0.00 N ATOM 662 CA ASP A 118 15.224 -0.637 0.792 1.00 0.00 C ATOM 663 C ASP A 118 15.034 -0.821 -0.713 1.00 0.00 C ATOM 664 O ASP A 118 14.066 -0.368 -1.290 1.00 0.00 O ATOM 665 CB ASP A 118 16.326 0.385 1.042 1.00 0.00 C ATOM 666 CG ASP A 118 16.038 1.139 2.341 1.00 0.00 C ATOM 667 OD1 ASP A 118 14.881 1.439 2.585 1.00 0.00 O ATOM 668 OD2 ASP A 118 16.980 1.402 3.071 1.00 0.00 O ATOM 0 H ASP A 118 16.594 -2.012 1.672 1.00 0.00 H new ATOM 0 HA ASP A 118 14.290 -0.288 1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.292 -0.115 1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.384 1.085 0.208 1.00 0.00 H new ATOM 673 N GLU A 119 15.956 -1.481 -1.352 1.00 0.00 N ATOM 674 CA GLU A 119 15.840 -1.696 -2.822 1.00 0.00 C ATOM 675 C GLU A 119 14.525 -2.410 -3.138 1.00 0.00 C ATOM 676 O GLU A 119 14.071 -2.428 -4.264 1.00 0.00 O ATOM 677 CB GLU A 119 17.016 -2.546 -3.306 1.00 0.00 C ATOM 678 CG GLU A 119 18.177 -1.630 -3.699 1.00 0.00 C ATOM 679 CD GLU A 119 19.458 -2.454 -3.830 1.00 0.00 C ATOM 680 OE1 GLU A 119 19.498 -3.544 -3.285 1.00 0.00 O ATOM 681 OE2 GLU A 119 20.380 -1.980 -4.475 1.00 0.00 O ATOM 0 H GLU A 119 16.788 -1.883 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 119 15.854 -0.732 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.330 -3.233 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.713 -3.154 -4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.956 -1.130 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 119 18.309 -0.851 -2.948 1.00 0.00 H new ATOM 688 N GLU A 120 13.909 -2.995 -2.149 1.00 0.00 N ATOM 689 CA GLU A 120 12.627 -3.703 -2.377 1.00 0.00 C ATOM 690 C GLU A 120 11.476 -2.758 -2.057 1.00 0.00 C ATOM 691 O GLU A 120 10.508 -2.675 -2.777 1.00 0.00 O ATOM 692 CB GLU A 120 12.557 -4.897 -1.435 1.00 0.00 C ATOM 693 CG GLU A 120 13.932 -5.545 -1.340 1.00 0.00 C ATOM 694 CD GLU A 120 14.300 -6.171 -2.687 1.00 0.00 C ATOM 695 OE1 GLU A 120 13.689 -5.801 -3.676 1.00 0.00 O ATOM 696 OE2 GLU A 120 15.186 -7.011 -2.706 1.00 0.00 O ATOM 0 H GLU A 120 14.245 -3.011 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 120 12.560 -4.034 -3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.224 -4.577 -0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 120 11.826 -5.619 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.677 -4.801 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.933 -6.308 -0.561 1.00 0.00 H new ATOM 703 N VAL A 121 11.578 -2.066 -0.960 1.00 0.00 N ATOM 704 CA VAL A 121 10.489 -1.126 -0.553 1.00 0.00 C ATOM 705 C VAL A 121 10.099 -0.215 -1.721 1.00 0.00 C ATOM 706 O VAL A 121 8.947 -0.149 -2.102 1.00 0.00 O ATOM 707 CB VAL A 121 10.968 -0.274 0.626 1.00 0.00 C ATOM 708 CG1 VAL A 121 10.008 0.897 0.846 1.00 0.00 C ATOM 709 CG2 VAL A 121 11.010 -1.135 1.888 1.00 0.00 C ATOM 0 H VAL A 121 12.372 -2.108 -0.321 1.00 0.00 H new ATOM 0 HA VAL A 121 9.615 -1.707 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 121 11.964 0.113 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.355 1.499 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.974 1.513 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.010 0.514 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.351 -0.531 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.013 -1.521 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.697 -1.968 1.738 1.00 0.00 H new ATOM 719 N ASP A 122 11.033 0.496 -2.289 1.00 0.00 N ATOM 720 CA ASP A 122 10.686 1.394 -3.423 1.00 0.00 C ATOM 721 C ASP A 122 10.177 0.550 -4.589 1.00 0.00 C ATOM 722 O ASP A 122 9.274 0.940 -5.296 1.00 0.00 O ATOM 723 CB ASP A 122 11.922 2.185 -3.853 1.00 0.00 C ATOM 724 CG ASP A 122 11.704 3.671 -3.558 1.00 0.00 C ATOM 725 OD1 ASP A 122 10.909 3.969 -2.681 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.335 4.484 -4.213 1.00 0.00 O ATOM 0 H ASP A 122 12.016 0.494 -2.018 1.00 0.00 H new ATOM 0 HA ASP A 122 9.910 2.094 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.802 1.823 -3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.109 2.038 -4.917 1.00 0.00 H new ATOM 731 N GLU A 123 10.738 -0.609 -4.789 1.00 0.00 N ATOM 732 CA GLU A 123 10.262 -1.474 -5.901 1.00 0.00 C ATOM 733 C GLU A 123 8.877 -2.011 -5.541 1.00 0.00 C ATOM 734 O GLU A 123 8.144 -2.490 -6.384 1.00 0.00 O ATOM 735 CB GLU A 123 11.235 -2.636 -6.103 1.00 0.00 C ATOM 736 CG GLU A 123 12.505 -2.122 -6.784 1.00 0.00 C ATOM 737 CD GLU A 123 13.589 -3.199 -6.727 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.501 -4.057 -5.864 1.00 0.00 O ATOM 739 OE2 GLU A 123 14.491 -3.147 -7.548 1.00 0.00 O ATOM 0 H GLU A 123 11.502 -0.993 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 123 10.207 -0.899 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.482 -3.089 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.771 -3.412 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.293 -1.859 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.853 -1.215 -6.290 1.00 0.00 H new ATOM 746 N MET A 124 8.508 -1.912 -4.292 1.00 0.00 N ATOM 747 CA MET A 124 7.167 -2.388 -3.864 1.00 0.00 C ATOM 748 C MET A 124 6.170 -1.257 -4.108 1.00 0.00 C ATOM 749 O MET A 124 5.013 -1.483 -4.407 1.00 0.00 O ATOM 750 CB MET A 124 7.200 -2.755 -2.383 1.00 0.00 C ATOM 751 CG MET A 124 7.851 -4.128 -2.211 1.00 0.00 C ATOM 752 SD MET A 124 6.670 -5.259 -1.435 1.00 0.00 S ATOM 753 CE MET A 124 7.047 -6.711 -2.446 1.00 0.00 C ATOM 0 H MET A 124 9.084 -1.519 -3.547 1.00 0.00 H new ATOM 0 HA MET A 124 6.874 -3.274 -4.428 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.758 -2.004 -1.824 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.188 -2.767 -1.978 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.163 -4.519 -3.179 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.748 -4.043 -1.597 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.420 -7.546 -2.132 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.852 -6.485 -3.494 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.096 -6.979 -2.321 1.00 0.00 H new ATOM 763 N ILE A 125 6.624 -0.037 -4.004 1.00 0.00 N ATOM 764 CA ILE A 125 5.732 1.122 -4.250 1.00 0.00 C ATOM 765 C ILE A 125 5.498 1.241 -5.757 1.00 0.00 C ATOM 766 O ILE A 125 4.405 1.512 -6.212 1.00 0.00 O ATOM 767 CB ILE A 125 6.407 2.399 -3.730 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.295 2.436 -2.198 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.723 3.641 -4.334 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.510 3.864 -1.682 1.00 0.00 C ATOM 0 H ILE A 125 7.584 0.204 -3.757 1.00 0.00 H new ATOM 0 HA ILE A 125 4.781 0.985 -3.735 1.00 0.00 H new ATOM 0 HB ILE A 125 7.457 2.401 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.314 2.075 -1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.034 1.768 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.209 4.542 -3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.805 3.609 -5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.671 3.651 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.428 3.874 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.501 4.211 -1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.754 4.523 -2.109 1.00 0.00 H new ATOM 782 N ARG A 126 6.528 1.049 -6.524 1.00 0.00 N ATOM 783 CA ARG A 126 6.400 1.153 -8.005 1.00 0.00 C ATOM 784 C ARG A 126 5.308 0.195 -8.507 1.00 0.00 C ATOM 785 O ARG A 126 4.847 0.303 -9.626 1.00 0.00 O ATOM 786 CB ARG A 126 7.767 0.827 -8.651 1.00 0.00 C ATOM 787 CG ARG A 126 7.782 -0.585 -9.255 1.00 0.00 C ATOM 788 CD ARG A 126 9.061 -0.778 -10.070 1.00 0.00 C ATOM 789 NE ARG A 126 8.876 -0.198 -11.429 1.00 0.00 N ATOM 790 CZ ARG A 126 8.309 -0.906 -12.368 1.00 0.00 C ATOM 791 NH1 ARG A 126 8.917 -1.954 -12.850 1.00 0.00 N ATOM 792 NH2 ARG A 126 7.134 -0.564 -12.822 1.00 0.00 N ATOM 0 H ARG A 126 7.464 0.822 -6.188 1.00 0.00 H new ATOM 0 HA ARG A 126 6.110 2.166 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG A 126 7.987 1.559 -9.428 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.554 0.912 -7.902 1.00 0.00 H new ATOM 0 HG2 ARG A 126 7.727 -1.331 -8.463 1.00 0.00 H new ATOM 0 HG3 ARG A 126 6.908 -0.730 -9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.901 -0.296 -9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.300 -1.839 -10.145 1.00 0.00 H new ATOM 0 HE ARG A 126 9.192 0.752 -11.626 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.835 -2.220 -12.493 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.475 -2.508 -13.584 1.00 0.00 H new ATOM 0 HH21 ARG A 126 6.660 0.256 -12.443 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.690 -1.116 -13.556 1.00 0.00 H new ATOM 806 N GLU A 127 4.892 -0.742 -7.697 1.00 0.00 N ATOM 807 CA GLU A 127 3.839 -1.696 -8.146 1.00 0.00 C ATOM 808 C GLU A 127 2.457 -1.113 -7.860 1.00 0.00 C ATOM 809 O GLU A 127 1.504 -1.372 -8.566 1.00 0.00 O ATOM 810 CB GLU A 127 3.992 -3.016 -7.399 1.00 0.00 C ATOM 811 CG GLU A 127 5.362 -3.621 -7.704 1.00 0.00 C ATOM 812 CD GLU A 127 5.210 -4.704 -8.771 1.00 0.00 C ATOM 813 OE1 GLU A 127 4.880 -4.360 -9.895 1.00 0.00 O ATOM 814 OE2 GLU A 127 5.425 -5.860 -8.447 1.00 0.00 O ATOM 0 H GLU A 127 5.235 -0.887 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 127 3.946 -1.867 -9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.886 -2.853 -6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.203 -3.707 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.045 -2.846 -8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 127 5.795 -4.045 -6.798 1.00 0.00 H new ATOM 821 N ALA A 128 2.341 -0.329 -6.826 1.00 0.00 N ATOM 822 CA ALA A 128 1.023 0.270 -6.487 1.00 0.00 C ATOM 823 C ALA A 128 0.861 1.600 -7.226 1.00 0.00 C ATOM 824 O ALA A 128 -0.066 1.790 -7.989 1.00 0.00 O ATOM 825 CB ALA A 128 0.955 0.508 -4.980 1.00 0.00 C ATOM 0 H ALA A 128 3.105 -0.077 -6.199 1.00 0.00 H new ATOM 0 HA ALA A 128 0.223 -0.407 -6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.009 0.947 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.072 -0.441 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.754 1.188 -4.683 1.00 0.00 H new ATOM 831 N ASP A 129 1.754 2.524 -7.005 1.00 0.00 N ATOM 832 CA ASP A 129 1.653 3.843 -7.691 1.00 0.00 C ATOM 833 C ASP A 129 1.532 3.631 -9.203 1.00 0.00 C ATOM 834 O ASP A 129 1.947 2.620 -9.733 1.00 0.00 O ATOM 835 CB ASP A 129 2.906 4.667 -7.391 1.00 0.00 C ATOM 836 CG ASP A 129 4.146 3.899 -7.853 1.00 0.00 C ATOM 837 OD1 ASP A 129 4.096 3.330 -8.932 1.00 0.00 O ATOM 838 OD2 ASP A 129 5.121 3.891 -7.122 1.00 0.00 O ATOM 0 H ASP A 129 2.552 2.423 -6.377 1.00 0.00 H new ATOM 0 HA ASP A 129 0.771 4.372 -7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.851 5.630 -7.899 1.00 0.00 H new ATOM 0 HB3 ASP A 129 2.971 4.874 -6.323 1.00 0.00 H new ATOM 843 N ILE A 130 0.959 4.577 -9.900 1.00 0.00 N ATOM 844 CA ILE A 130 0.801 4.433 -11.371 1.00 0.00 C ATOM 845 C ILE A 130 1.695 5.443 -12.086 1.00 0.00 C ATOM 846 O ILE A 130 2.363 5.126 -13.050 1.00 0.00 O ATOM 847 CB ILE A 130 -0.657 4.697 -11.737 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.538 3.638 -11.074 1.00 0.00 C ATOM 849 CG2 ILE A 130 -0.829 4.629 -13.255 1.00 0.00 C ATOM 850 CD1 ILE A 130 -2.968 4.168 -10.945 1.00 0.00 C ATOM 0 H ILE A 130 0.593 5.445 -9.509 1.00 0.00 H new ATOM 0 HA ILE A 130 1.086 3.426 -11.675 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.947 5.688 -11.389 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.531 2.722 -11.665 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -1.143 3.385 -10.090 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.871 4.818 -13.512 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.197 5.381 -13.727 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.542 3.639 -13.610 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -3.595 3.412 -10.472 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -2.967 5.072 -10.336 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -3.361 4.398 -11.935 1.00 0.00 H new ATOM 862 N ASP A 131 1.707 6.656 -11.622 1.00 0.00 N ATOM 863 CA ASP A 131 2.551 7.696 -12.273 1.00 0.00 C ATOM 864 C ASP A 131 4.023 7.435 -11.956 1.00 0.00 C ATOM 865 O ASP A 131 4.887 7.621 -12.790 1.00 0.00 O ATOM 866 CB ASP A 131 2.154 9.079 -11.754 1.00 0.00 C ATOM 867 CG ASP A 131 2.950 10.150 -12.503 1.00 0.00 C ATOM 868 OD1 ASP A 131 2.592 10.444 -13.632 1.00 0.00 O ATOM 869 OD2 ASP A 131 3.905 10.654 -11.936 1.00 0.00 O ATOM 0 H ASP A 131 1.168 6.976 -10.817 1.00 0.00 H new ATOM 0 HA ASP A 131 2.401 7.658 -13.352 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.085 9.239 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.348 9.148 -10.684 1.00 0.00 H new ATOM 874 N GLY A 132 4.321 7.010 -10.758 1.00 0.00 N ATOM 875 CA GLY A 132 5.741 6.748 -10.404 1.00 0.00 C ATOM 876 C GLY A 132 6.318 7.978 -9.707 1.00 0.00 C ATOM 877 O GLY A 132 7.485 8.289 -9.838 1.00 0.00 O ATOM 0 H GLY A 132 3.645 6.834 -10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 132 5.811 5.878 -9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.316 6.520 -11.301 1.00 0.00 H new ATOM 881 N ASP A 133 5.510 8.677 -8.959 1.00 0.00 N ATOM 882 CA ASP A 133 6.014 9.883 -8.249 1.00 0.00 C ATOM 883 C ASP A 133 6.771 9.437 -7.009 1.00 0.00 C ATOM 884 O ASP A 133 7.659 10.111 -6.524 1.00 0.00 O ATOM 885 CB ASP A 133 4.840 10.764 -7.832 1.00 0.00 C ATOM 886 CG ASP A 133 3.717 9.889 -7.271 1.00 0.00 C ATOM 887 OD1 ASP A 133 3.978 9.153 -6.334 1.00 0.00 O ATOM 888 OD2 ASP A 133 2.616 9.968 -7.790 1.00 0.00 O ATOM 0 H ASP A 133 4.524 8.465 -8.810 1.00 0.00 H new ATOM 0 HA ASP A 133 6.671 10.450 -8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 133 5.162 11.486 -7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.478 11.334 -8.688 1.00 0.00 H new ATOM 893 N GLY A 134 6.427 8.296 -6.503 1.00 0.00 N ATOM 894 CA GLY A 134 7.123 7.772 -5.294 1.00 0.00 C ATOM 895 C GLY A 134 6.107 7.476 -4.190 1.00 0.00 C ATOM 896 O GLY A 134 6.191 6.472 -3.513 1.00 0.00 O ATOM 0 H GLY A 134 5.690 7.695 -6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.673 6.865 -5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.853 8.500 -4.941 1.00 0.00 H new ATOM 900 N GLN A 135 5.150 8.340 -3.996 1.00 0.00 N ATOM 901 CA GLN A 135 4.142 8.095 -2.927 1.00 0.00 C ATOM 902 C GLN A 135 2.965 7.305 -3.506 1.00 0.00 C ATOM 903 O GLN A 135 2.798 7.214 -4.706 1.00 0.00 O ATOM 904 CB GLN A 135 3.653 9.442 -2.357 1.00 0.00 C ATOM 905 CG GLN A 135 2.562 10.050 -3.247 1.00 0.00 C ATOM 906 CD GLN A 135 3.095 11.318 -3.919 1.00 0.00 C ATOM 907 OE1 GLN A 135 3.414 11.309 -5.092 1.00 0.00 O ATOM 908 NE2 GLN A 135 3.204 12.417 -3.224 1.00 0.00 N ATOM 0 H GLN A 135 5.022 9.201 -4.528 1.00 0.00 H new ATOM 0 HA GLN A 135 4.595 7.516 -2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.265 9.295 -1.349 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.491 10.134 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 135 2.251 9.329 -4.003 1.00 0.00 H new ATOM 0 HG3 GLN A 135 1.681 10.286 -2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.937 12.427 -2.240 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.556 13.267 -3.665 1.00 0.00 H new ATOM 917 N VAL A 136 2.140 6.752 -2.666 1.00 0.00 N ATOM 918 CA VAL A 136 0.966 5.993 -3.173 1.00 0.00 C ATOM 919 C VAL A 136 -0.306 6.678 -2.677 1.00 0.00 C ATOM 920 O VAL A 136 -0.279 7.444 -1.740 1.00 0.00 O ATOM 921 CB VAL A 136 1.010 4.558 -2.641 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.308 3.853 -2.963 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.166 3.805 -3.301 1.00 0.00 C ATOM 0 H VAL A 136 2.227 6.792 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 136 0.982 5.970 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 136 1.157 4.576 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.276 2.831 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -1.132 4.389 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.457 3.835 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.198 2.783 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.019 3.788 -4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.106 4.307 -3.070 1.00 0.00 H new ATOM 933 N ASN A 137 -1.421 6.413 -3.284 1.00 0.00 N ATOM 934 CA ASN A 137 -2.676 7.057 -2.813 1.00 0.00 C ATOM 935 C ASN A 137 -3.765 5.998 -2.730 1.00 0.00 C ATOM 936 O ASN A 137 -3.495 4.817 -2.748 1.00 0.00 O ATOM 937 CB ASN A 137 -3.121 8.164 -3.775 1.00 0.00 C ATOM 938 CG ASN A 137 -2.025 8.458 -4.798 1.00 0.00 C ATOM 939 OD1 ASN A 137 -0.868 8.591 -4.450 1.00 0.00 O ATOM 940 ND2 ASN A 137 -2.345 8.569 -6.056 1.00 0.00 N ATOM 0 H ASN A 137 -1.521 5.784 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.498 7.504 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.034 7.862 -4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.355 9.069 -3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -1.624 8.768 -6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.316 8.457 -6.347 1.00 0.00 H new ATOM 947 N TYR A 138 -4.992 6.405 -2.636 1.00 0.00 N ATOM 948 CA TYR A 138 -6.086 5.408 -2.544 1.00 0.00 C ATOM 949 C TYR A 138 -6.394 4.832 -3.928 1.00 0.00 C ATOM 950 O TYR A 138 -6.671 3.659 -4.067 1.00 0.00 O ATOM 951 CB TYR A 138 -7.332 6.074 -1.982 1.00 0.00 C ATOM 952 CG TYR A 138 -8.437 5.057 -1.945 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.321 3.954 -1.098 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.565 5.207 -2.757 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.336 2.993 -1.058 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.583 4.246 -2.719 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.468 3.138 -1.869 1.00 0.00 C ATOM 958 OH TYR A 138 -11.471 2.192 -1.831 1.00 0.00 O ATOM 0 H TYR A 138 -5.286 7.382 -2.619 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.774 4.598 -1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.137 6.459 -0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.619 6.924 -2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.447 3.843 -0.473 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.651 6.062 -3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.247 2.140 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.456 4.359 -3.344 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.184 2.446 -2.454 1.00 0.00 H new ATOM 968 N GLU A 139 -6.358 5.639 -4.951 1.00 0.00 N ATOM 969 CA GLU A 139 -6.655 5.118 -6.313 1.00 0.00 C ATOM 970 C GLU A 139 -5.509 4.214 -6.773 1.00 0.00 C ATOM 971 O GLU A 139 -5.713 3.251 -7.485 1.00 0.00 O ATOM 972 CB GLU A 139 -6.810 6.285 -7.291 1.00 0.00 C ATOM 973 CG GLU A 139 -7.695 5.856 -8.464 1.00 0.00 C ATOM 974 CD GLU A 139 -7.365 6.707 -9.692 1.00 0.00 C ATOM 975 OE1 GLU A 139 -7.526 7.914 -9.613 1.00 0.00 O ATOM 976 OE2 GLU A 139 -6.961 6.137 -10.692 1.00 0.00 O ATOM 0 H GLU A 139 -6.136 6.634 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.583 4.546 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.252 7.142 -6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -5.832 6.600 -7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.536 4.801 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.746 5.971 -8.201 1.00 0.00 H new ATOM 983 N GLU A 140 -4.306 4.516 -6.370 1.00 0.00 N ATOM 984 CA GLU A 140 -3.150 3.671 -6.780 1.00 0.00 C ATOM 985 C GLU A 140 -3.067 2.453 -5.859 1.00 0.00 C ATOM 986 O GLU A 140 -2.686 1.375 -6.269 1.00 0.00 O ATOM 987 CB GLU A 140 -1.860 4.485 -6.668 1.00 0.00 C ATOM 988 CG GLU A 140 -2.108 5.905 -7.180 1.00 0.00 C ATOM 989 CD GLU A 140 -0.779 6.659 -7.262 1.00 0.00 C ATOM 990 OE1 GLU A 140 -0.204 6.920 -6.218 1.00 0.00 O ATOM 991 OE2 GLU A 140 -0.361 6.965 -8.366 1.00 0.00 O ATOM 0 H GLU A 140 -4.074 5.311 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.282 3.342 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.524 4.514 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.067 4.011 -7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.580 5.871 -8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.794 6.428 -6.514 1.00 0.00 H new ATOM 998 N PHE A 141 -3.420 2.623 -4.617 1.00 0.00 N ATOM 999 CA PHE A 141 -3.367 1.488 -3.656 1.00 0.00 C ATOM 1000 C PHE A 141 -4.541 0.540 -3.913 1.00 0.00 C ATOM 1001 O PHE A 141 -4.484 -0.631 -3.599 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.466 2.043 -2.236 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.742 0.922 -1.264 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -2.678 0.200 -0.710 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -5.062 0.604 -0.917 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -2.934 -0.840 0.192 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -5.317 -0.436 -0.016 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.252 -1.158 0.538 1.00 0.00 C ATOM 0 H PHE A 141 -3.745 3.506 -4.223 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.432 0.942 -3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.538 2.548 -1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.261 2.787 -2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.661 0.445 -0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -5.882 1.161 -1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.114 -1.397 0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.334 -0.682 0.252 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.448 -1.961 1.233 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.609 1.041 -4.469 1.00 0.00 N ATOM 1019 CA VAL A 142 -6.790 0.173 -4.734 1.00 0.00 C ATOM 1020 C VAL A 142 -6.368 -1.033 -5.579 1.00 0.00 C ATOM 1021 O VAL A 142 -6.686 -2.163 -5.263 1.00 0.00 O ATOM 1022 CB VAL A 142 -7.860 0.984 -5.472 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -8.898 0.040 -6.085 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.554 1.918 -4.478 1.00 0.00 C ATOM 0 H VAL A 142 -5.715 2.015 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.199 -0.186 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.390 1.565 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -9.656 0.623 -6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -8.408 -0.632 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.371 -0.544 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.317 2.499 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.020 1.328 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.819 2.594 -4.040 1.00 0.00 H new ATOM 1034 N GLN A 143 -5.655 -0.809 -6.648 1.00 0.00 N ATOM 1035 CA GLN A 143 -5.221 -1.952 -7.500 1.00 0.00 C ATOM 1036 C GLN A 143 -4.242 -2.833 -6.719 1.00 0.00 C ATOM 1037 O GLN A 143 -4.130 -4.018 -6.961 1.00 0.00 O ATOM 1038 CB GLN A 143 -4.541 -1.425 -8.763 1.00 0.00 C ATOM 1039 CG GLN A 143 -5.583 -0.754 -9.658 1.00 0.00 C ATOM 1040 CD GLN A 143 -4.950 -0.394 -11.004 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -4.277 -1.204 -11.608 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -5.140 0.797 -11.502 1.00 0.00 N ATOM 0 H GLN A 143 -5.355 0.112 -6.968 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.093 -2.542 -7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.760 -0.712 -8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -4.059 -2.243 -9.298 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -6.430 -1.422 -9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -5.968 0.144 -9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.705 1.478 -10.995 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -4.723 1.047 -12.399 1.00 0.00 H new ATOM 1051 N MET A 144 -3.533 -2.264 -5.781 1.00 0.00 N ATOM 1052 CA MET A 144 -2.562 -3.073 -4.988 1.00 0.00 C ATOM 1053 C MET A 144 -3.305 -3.842 -3.892 1.00 0.00 C ATOM 1054 O MET A 144 -2.806 -4.809 -3.354 1.00 0.00 O ATOM 1055 CB MET A 144 -1.524 -2.146 -4.348 1.00 0.00 C ATOM 1056 CG MET A 144 -0.120 -2.704 -4.593 1.00 0.00 C ATOM 1057 SD MET A 144 0.851 -2.587 -3.070 1.00 0.00 S ATOM 1058 CE MET A 144 0.228 -4.094 -2.285 1.00 0.00 C ATOM 0 H MET A 144 -3.584 -1.277 -5.530 1.00 0.00 H new ATOM 0 HA MET A 144 -2.060 -3.780 -5.648 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.607 -1.144 -4.769 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.710 -2.058 -3.278 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.182 -3.742 -4.919 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.369 -2.148 -5.392 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.825 -4.318 -1.401 1.00 0.00 H new ATOM 0 HE2 MET A 144 -0.812 -3.949 -1.993 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.295 -4.925 -2.988 1.00 0.00 H new ATOM 1068 N MET A 145 -4.493 -3.420 -3.555 1.00 0.00 N ATOM 1069 CA MET A 145 -5.259 -4.127 -2.497 1.00 0.00 C ATOM 1070 C MET A 145 -5.861 -5.410 -3.072 1.00 0.00 C ATOM 1071 O MET A 145 -5.893 -6.438 -2.423 1.00 0.00 O ATOM 1072 CB MET A 145 -6.377 -3.220 -1.979 1.00 0.00 C ATOM 1073 CG MET A 145 -6.784 -3.664 -0.573 1.00 0.00 C ATOM 1074 SD MET A 145 -7.776 -5.173 -0.676 1.00 0.00 S ATOM 1075 CE MET A 145 -7.963 -5.438 1.104 1.00 0.00 C ATOM 0 H MET A 145 -4.964 -2.615 -3.968 1.00 0.00 H new ATOM 0 HA MET A 145 -4.591 -4.379 -1.674 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.040 -2.184 -1.961 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.236 -3.265 -2.649 1.00 0.00 H new ATOM 0 HG2 MET A 145 -5.896 -3.841 0.034 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.354 -2.875 -0.082 1.00 0.00 H new ATOM 0 HE1 MET A 145 -8.314 -6.454 1.286 1.00 0.00 H new ATOM 0 HE2 MET A 145 -7.001 -5.293 1.596 1.00 0.00 H new ATOM 0 HE3 MET A 145 -8.686 -4.727 1.504 1.00 0.00 H new ATOM 1085 N THR A 146 -6.335 -5.365 -4.287 1.00 0.00 N ATOM 1086 CA THR A 146 -6.929 -6.587 -4.897 1.00 0.00 C ATOM 1087 C THR A 146 -5.899 -7.717 -4.874 1.00 0.00 C ATOM 1088 O THR A 146 -6.239 -8.880 -4.780 1.00 0.00 O ATOM 1089 CB THR A 146 -7.332 -6.297 -6.342 1.00 0.00 C ATOM 1090 OG1 THR A 146 -6.232 -5.721 -7.032 1.00 0.00 O ATOM 1091 CG2 THR A 146 -8.513 -5.328 -6.358 1.00 0.00 C ATOM 0 H THR A 146 -6.337 -4.537 -4.882 1.00 0.00 H new ATOM 0 HA THR A 146 -7.811 -6.883 -4.329 1.00 0.00 H new ATOM 0 HB THR A 146 -7.622 -7.226 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A 146 -6.488 -5.536 -7.960 1.00 0.00 H new ATOM 0 HG21 THR A 146 -8.800 -5.121 -7.389 1.00 0.00 H new ATOM 0 HG22 THR A 146 -9.356 -5.773 -5.829 1.00 0.00 H new ATOM 0 HG23 THR A 146 -8.227 -4.398 -5.868 1.00 0.00 H new