USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=8 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=-0.00101 K(o=-0.001,f=-2.7!) USER MOD Single : A 99 TYR OH : rot 150:sc= -1.11 USER MOD Single : A 101 SER OG : rot 120:sc= -1.01 USER MOD Single : A 107 HIS : no HD1:sc= -1.71! X(o=-1.7!,f=-1.3) USER MOD Single : A 109 MET CE :methyl 155:sc= 0 (180deg=-0.0103) USER MOD Single : A 110 THR OG1 : rot -39:sc= 0.233 USER MOD Single : A 111 ASN : amide:sc= -0.443 K(o=-0.44,f=-3.5!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 124 MET CE :methyl 172:sc= -0.496 (180deg=-0.525) USER MOD Single : A 135 GLN : amide:sc= -3.69 X(o=-3.7,f=-3.5) USER MOD Single : A 137 ASN : amide:sc= -5.89! C(o=-5.9!,f=-15!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.26) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 106 N GLU A 83 -15.378 -0.776 0.656 1.00 0.00 N ATOM 107 CA GLU A 83 -14.929 -0.438 2.030 1.00 0.00 C ATOM 108 C GLU A 83 -13.773 -1.360 2.420 1.00 0.00 C ATOM 109 O GLU A 83 -12.929 -1.011 3.221 1.00 0.00 O ATOM 110 CB GLU A 83 -16.089 -0.622 3.011 1.00 0.00 C ATOM 111 CG GLU A 83 -16.209 0.621 3.897 1.00 0.00 C ATOM 112 CD GLU A 83 -14.963 0.743 4.776 1.00 0.00 C ATOM 113 OE1 GLU A 83 -14.963 0.166 5.852 1.00 0.00 O ATOM 114 OE2 GLU A 83 -14.031 1.409 4.359 1.00 0.00 O ATOM 0 HA GLU A 83 -14.597 0.600 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.019 -0.784 2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.922 -1.506 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.320 1.512 3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.101 0.552 4.520 1.00 0.00 H new ATOM 121 N GLU A 84 -13.727 -2.536 1.855 1.00 0.00 N ATOM 122 CA GLU A 84 -12.623 -3.478 2.192 1.00 0.00 C ATOM 123 C GLU A 84 -11.281 -2.835 1.826 1.00 0.00 C ATOM 124 O GLU A 84 -10.351 -2.832 2.608 1.00 0.00 O ATOM 125 CB GLU A 84 -12.804 -4.781 1.407 1.00 0.00 C ATOM 126 CG GLU A 84 -13.336 -5.870 2.343 1.00 0.00 C ATOM 127 CD GLU A 84 -14.563 -6.535 1.713 1.00 0.00 C ATOM 128 OE1 GLU A 84 -14.394 -7.232 0.726 1.00 0.00 O ATOM 129 OE2 GLU A 84 -15.650 -6.335 2.229 1.00 0.00 O ATOM 0 H GLU A 84 -14.404 -2.884 1.176 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.641 -3.698 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.497 -4.627 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.854 -5.092 0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.562 -6.614 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.600 -5.437 3.308 1.00 0.00 H new ATOM 136 N ILE A 85 -11.175 -2.288 0.645 1.00 0.00 N ATOM 137 CA ILE A 85 -9.899 -1.642 0.227 1.00 0.00 C ATOM 138 C ILE A 85 -9.754 -0.291 0.928 1.00 0.00 C ATOM 139 O ILE A 85 -8.673 0.107 1.311 1.00 0.00 O ATOM 140 CB ILE A 85 -9.915 -1.427 -1.283 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.286 -2.734 -1.977 1.00 0.00 C ATOM 142 CG2 ILE A 85 -8.532 -0.976 -1.754 1.00 0.00 C ATOM 143 CD1 ILE A 85 -11.201 -2.433 -3.163 1.00 0.00 C ATOM 0 H ILE A 85 -11.921 -2.261 -0.050 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.061 -2.284 0.499 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.648 -0.660 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.386 -3.246 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.787 -3.402 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.547 -0.823 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.266 -0.042 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.796 -1.741 -1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.468 -3.365 -3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.105 -1.939 -2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.683 -1.781 -3.866 1.00 0.00 H new ATOM 155 N ARG A 86 -10.833 0.419 1.095 1.00 0.00 N ATOM 156 CA ARG A 86 -10.755 1.744 1.770 1.00 0.00 C ATOM 157 C ARG A 86 -10.039 1.584 3.108 1.00 0.00 C ATOM 158 O ARG A 86 -9.372 2.483 3.580 1.00 0.00 O ATOM 159 CB ARG A 86 -12.167 2.272 2.012 1.00 0.00 C ATOM 160 CG ARG A 86 -12.252 3.731 1.562 1.00 0.00 C ATOM 161 CD ARG A 86 -13.316 4.456 2.389 1.00 0.00 C ATOM 162 NE ARG A 86 -14.562 4.597 1.584 1.00 0.00 N ATOM 163 CZ ARG A 86 -14.689 5.589 0.745 1.00 0.00 C ATOM 164 NH1 ARG A 86 -15.139 6.741 1.162 1.00 0.00 N ATOM 165 NH2 ARG A 86 -14.366 5.430 -0.509 1.00 0.00 N ATOM 0 H ARG A 86 -11.766 0.139 0.793 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.206 2.445 1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.891 1.669 1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.420 2.191 3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.285 4.218 1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.502 3.782 0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.522 3.900 3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.951 5.438 2.689 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.316 3.918 1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.391 6.865 2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.239 7.517 0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.014 4.530 -0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.466 6.206 -1.164 1.00 0.00 H new ATOM 179 N GLU A 87 -10.170 0.444 3.721 1.00 0.00 N ATOM 180 CA GLU A 87 -9.495 0.227 5.029 1.00 0.00 C ATOM 181 C GLU A 87 -8.110 -0.370 4.794 1.00 0.00 C ATOM 182 O GLU A 87 -7.125 0.133 5.286 1.00 0.00 O ATOM 183 CB GLU A 87 -10.325 -0.727 5.890 1.00 0.00 C ATOM 184 CG GLU A 87 -11.787 -0.275 5.892 1.00 0.00 C ATOM 185 CD GLU A 87 -11.941 0.951 6.794 1.00 0.00 C ATOM 186 OE1 GLU A 87 -10.928 1.472 7.231 1.00 0.00 O ATOM 187 OE2 GLU A 87 -13.069 1.348 7.032 1.00 0.00 O ATOM 0 H GLU A 87 -10.714 -0.346 3.375 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.397 1.182 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.248 -1.743 5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.938 -0.744 6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.106 -0.036 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.428 -1.083 6.246 1.00 0.00 H new ATOM 194 N ALA A 88 -8.021 -1.433 4.046 1.00 0.00 N ATOM 195 CA ALA A 88 -6.687 -2.042 3.790 1.00 0.00 C ATOM 196 C ALA A 88 -5.700 -0.942 3.399 1.00 0.00 C ATOM 197 O ALA A 88 -4.506 -1.076 3.574 1.00 0.00 O ATOM 198 CB ALA A 88 -6.794 -3.066 2.658 1.00 0.00 C ATOM 0 H ALA A 88 -8.809 -1.905 3.603 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.336 -2.545 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.815 -3.509 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.499 -3.848 2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.144 -2.571 1.752 1.00 0.00 H new ATOM 204 N PHE A 89 -6.190 0.149 2.874 1.00 0.00 N ATOM 205 CA PHE A 89 -5.279 1.251 2.483 1.00 0.00 C ATOM 206 C PHE A 89 -4.656 1.863 3.730 1.00 0.00 C ATOM 207 O PHE A 89 -3.451 1.933 3.871 1.00 0.00 O ATOM 208 CB PHE A 89 -6.051 2.340 1.748 1.00 0.00 C ATOM 209 CG PHE A 89 -5.088 3.460 1.440 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.216 3.334 0.360 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.054 4.607 2.240 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.304 4.353 0.068 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.142 5.632 1.951 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.268 5.504 0.863 1.00 0.00 C ATOM 0 H PHE A 89 -7.181 0.320 2.701 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.506 0.846 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.486 1.946 0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.876 2.703 2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.245 2.446 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.728 4.703 3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.629 4.252 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.113 6.519 2.566 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.567 6.294 0.638 1.00 0.00 H new ATOM 224 N ARG A 90 -5.476 2.312 4.635 1.00 0.00 N ATOM 225 CA ARG A 90 -4.946 2.931 5.878 1.00 0.00 C ATOM 226 C ARG A 90 -4.171 1.880 6.667 1.00 0.00 C ATOM 227 O ARG A 90 -3.292 2.195 7.444 1.00 0.00 O ATOM 228 CB ARG A 90 -6.111 3.453 6.717 1.00 0.00 C ATOM 229 CG ARG A 90 -6.021 4.977 6.819 1.00 0.00 C ATOM 230 CD ARG A 90 -7.015 5.480 7.866 1.00 0.00 C ATOM 231 NE ARG A 90 -6.579 5.032 9.219 1.00 0.00 N ATOM 232 CZ ARG A 90 -7.423 5.049 10.213 1.00 0.00 C ATOM 233 NH1 ARG A 90 -7.986 6.170 10.570 1.00 0.00 N ATOM 234 NH2 ARG A 90 -7.701 3.945 10.852 1.00 0.00 N ATOM 0 H ARG A 90 -6.493 2.277 4.567 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.283 3.759 5.628 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.059 3.163 6.263 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.085 3.009 7.712 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.008 5.274 7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.236 5.430 5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.075 6.568 7.833 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.013 5.099 7.649 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.622 4.713 9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.766 7.032 10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.646 6.184 11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.258 3.069 10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.361 3.958 11.629 1.00 0.00 H new ATOM 248 N VAL A 91 -4.480 0.630 6.461 1.00 0.00 N ATOM 249 CA VAL A 91 -3.752 -0.443 7.183 1.00 0.00 C ATOM 250 C VAL A 91 -2.255 -0.230 6.965 1.00 0.00 C ATOM 251 O VAL A 91 -1.441 -0.505 7.824 1.00 0.00 O ATOM 252 CB VAL A 91 -4.175 -1.805 6.625 1.00 0.00 C ATOM 253 CG1 VAL A 91 -3.169 -2.875 7.052 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.562 -2.167 7.165 1.00 0.00 C ATOM 0 H VAL A 91 -5.207 0.308 5.822 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.981 -0.414 8.248 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.206 -1.754 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.475 -3.842 6.652 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.181 -2.620 6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.133 -2.927 8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.865 -3.136 6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.528 -2.214 8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.282 -1.408 6.857 1.00 0.00 H new ATOM 264 N PHE A 92 -1.893 0.280 5.819 1.00 0.00 N ATOM 265 CA PHE A 92 -0.458 0.540 5.524 1.00 0.00 C ATOM 266 C PHE A 92 -0.150 2.000 5.857 1.00 0.00 C ATOM 267 O PHE A 92 0.916 2.332 6.338 1.00 0.00 O ATOM 268 CB PHE A 92 -0.193 0.294 4.038 1.00 0.00 C ATOM 269 CG PHE A 92 -0.098 -1.190 3.774 1.00 0.00 C ATOM 270 CD1 PHE A 92 1.127 -1.854 3.923 1.00 0.00 C ATOM 271 CD2 PHE A 92 -1.235 -1.903 3.375 1.00 0.00 C ATOM 272 CE1 PHE A 92 1.212 -3.229 3.675 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.149 -3.277 3.126 1.00 0.00 C ATOM 274 CZ PHE A 92 0.075 -3.941 3.276 1.00 0.00 C ATOM 0 H PHE A 92 -2.537 0.529 5.069 1.00 0.00 H new ATOM 0 HA PHE A 92 0.172 -0.122 6.118 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.994 0.729 3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.732 0.786 3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.005 -1.305 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.179 -1.392 3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.156 -3.741 3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.027 -3.826 2.818 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.141 -5.002 3.084 1.00 0.00 H new ATOM 284 N ASP A 93 -1.087 2.875 5.601 1.00 0.00 N ATOM 285 CA ASP A 93 -0.872 4.317 5.895 1.00 0.00 C ATOM 286 C ASP A 93 -1.202 4.593 7.362 1.00 0.00 C ATOM 287 O ASP A 93 -2.339 4.504 7.778 1.00 0.00 O ATOM 288 CB ASP A 93 -1.795 5.151 5.007 1.00 0.00 C ATOM 289 CG ASP A 93 -1.379 6.621 5.078 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.190 6.877 5.172 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.258 7.466 5.037 1.00 0.00 O ATOM 0 H ASP A 93 -1.996 2.648 5.198 1.00 0.00 H new ATOM 0 HA ASP A 93 0.168 4.579 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.744 4.797 3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.829 5.039 5.332 1.00 0.00 H new ATOM 296 N LYS A 94 -0.220 4.929 8.152 1.00 0.00 N ATOM 297 CA LYS A 94 -0.492 5.210 9.585 1.00 0.00 C ATOM 298 C LYS A 94 -0.824 6.684 9.768 1.00 0.00 C ATOM 299 O LYS A 94 -1.500 7.068 10.701 1.00 0.00 O ATOM 300 CB LYS A 94 0.729 4.858 10.420 1.00 0.00 C ATOM 301 CG LYS A 94 0.802 3.343 10.608 1.00 0.00 C ATOM 302 CD LYS A 94 0.394 2.988 12.040 1.00 0.00 C ATOM 303 CE LYS A 94 1.648 2.731 12.879 1.00 0.00 C ATOM 304 NZ LYS A 94 2.026 3.978 13.604 1.00 0.00 N ATOM 0 H LYS A 94 0.755 5.020 7.866 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.339 4.606 9.911 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.634 5.218 9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.674 5.353 11.390 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.143 2.845 9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.813 2.989 10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.188 3.800 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.244 2.104 12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.464 1.926 13.590 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.468 2.408 12.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.878 3.803 14.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.218 4.734 12.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.246 4.267 14.228 1.00 0.00 H new ATOM 318 N ASP A 95 -0.370 7.512 8.877 1.00 0.00 N ATOM 319 CA ASP A 95 -0.679 8.960 8.997 1.00 0.00 C ATOM 320 C ASP A 95 -2.108 9.201 8.502 1.00 0.00 C ATOM 321 O ASP A 95 -2.586 10.317 8.490 1.00 0.00 O ATOM 322 CB ASP A 95 0.299 9.769 8.142 1.00 0.00 C ATOM 323 CG ASP A 95 1.689 9.729 8.780 1.00 0.00 C ATOM 324 OD1 ASP A 95 1.781 9.994 9.968 1.00 0.00 O ATOM 325 OD2 ASP A 95 2.637 9.432 8.072 1.00 0.00 O ATOM 0 H ASP A 95 0.200 7.251 8.072 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.586 9.272 10.037 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.339 9.361 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.044 10.800 8.056 1.00 0.00 H new ATOM 330 N GLY A 96 -2.794 8.152 8.106 1.00 0.00 N ATOM 331 CA GLY A 96 -4.198 8.302 7.615 1.00 0.00 C ATOM 332 C GLY A 96 -4.347 9.607 6.829 1.00 0.00 C ATOM 333 O GLY A 96 -5.395 10.221 6.825 1.00 0.00 O ATOM 0 H GLY A 96 -2.438 7.196 8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.462 7.455 6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.888 8.296 8.458 1.00 0.00 H new ATOM 337 N ASN A 97 -3.308 10.042 6.167 1.00 0.00 N ATOM 338 CA ASN A 97 -3.401 11.312 5.394 1.00 0.00 C ATOM 339 C ASN A 97 -3.909 11.014 3.977 1.00 0.00 C ATOM 340 O ASN A 97 -4.538 11.841 3.347 1.00 0.00 O ATOM 341 CB ASN A 97 -2.015 11.991 5.356 1.00 0.00 C ATOM 342 CG ASN A 97 -1.302 11.724 4.025 1.00 0.00 C ATOM 343 OD1 ASN A 97 -0.517 10.803 3.915 1.00 0.00 O ATOM 344 ND2 ASN A 97 -1.546 12.500 3.005 1.00 0.00 N ATOM 0 H ASN A 97 -2.403 9.574 6.129 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.105 11.991 5.874 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.130 13.065 5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.404 11.622 6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.078 12.334 2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.205 13.273 3.098 1.00 0.00 H new ATOM 351 N GLY A 98 -3.644 9.840 3.474 1.00 0.00 N ATOM 352 CA GLY A 98 -4.117 9.496 2.103 1.00 0.00 C ATOM 353 C GLY A 98 -2.961 8.920 1.281 1.00 0.00 C ATOM 354 O GLY A 98 -3.169 8.258 0.286 1.00 0.00 O ATOM 0 H GLY A 98 -3.122 9.105 3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.930 8.772 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.516 10.384 1.613 1.00 0.00 H new ATOM 358 N TYR A 99 -1.745 9.170 1.686 1.00 0.00 N ATOM 359 CA TYR A 99 -0.578 8.642 0.928 1.00 0.00 C ATOM 360 C TYR A 99 0.233 7.700 1.825 1.00 0.00 C ATOM 361 O TYR A 99 0.237 7.831 3.033 1.00 0.00 O ATOM 362 CB TYR A 99 0.307 9.809 0.486 1.00 0.00 C ATOM 363 CG TYR A 99 -0.043 10.220 -0.926 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.366 10.142 -1.379 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.962 10.683 -1.784 1.00 0.00 C ATOM 366 CE1 TYR A 99 -1.682 10.526 -2.685 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.645 11.069 -3.090 1.00 0.00 C ATOM 368 CZ TYR A 99 -0.677 10.990 -3.541 1.00 0.00 C ATOM 369 OH TYR A 99 -0.989 11.370 -4.830 1.00 0.00 O ATOM 0 H TYR A 99 -1.510 9.720 2.513 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.929 8.095 0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.174 10.653 1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.357 9.520 0.539 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.142 9.785 -0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.983 10.742 -1.437 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.702 10.465 -3.034 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.420 11.428 -3.750 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.371 12.072 -5.123 1.00 0.00 H new ATOM 379 N ILE A 100 0.920 6.749 1.245 1.00 0.00 N ATOM 380 CA ILE A 100 1.727 5.801 2.058 1.00 0.00 C ATOM 381 C ILE A 100 3.206 5.933 1.679 1.00 0.00 C ATOM 382 O ILE A 100 3.628 5.474 0.638 1.00 0.00 O ATOM 383 CB ILE A 100 1.260 4.375 1.766 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.171 4.181 2.283 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.192 3.382 2.462 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.831 3.026 1.531 1.00 0.00 C ATOM 0 H ILE A 100 0.954 6.591 0.238 1.00 0.00 H new ATOM 0 HA ILE A 100 1.601 6.026 3.117 1.00 0.00 H new ATOM 0 HB ILE A 100 1.280 4.203 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.158 3.972 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.747 5.096 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.860 2.365 2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.208 3.515 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.173 3.558 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.848 2.887 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.857 3.253 0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.259 2.112 1.693 1.00 0.00 H new ATOM 398 N SER A 101 3.997 6.550 2.512 1.00 0.00 N ATOM 399 CA SER A 101 5.444 6.695 2.184 1.00 0.00 C ATOM 400 C SER A 101 6.142 5.347 2.374 1.00 0.00 C ATOM 401 O SER A 101 5.727 4.528 3.170 1.00 0.00 O ATOM 402 CB SER A 101 6.079 7.735 3.104 1.00 0.00 C ATOM 403 OG SER A 101 5.500 7.632 4.398 1.00 0.00 O ATOM 0 H SER A 101 3.707 6.958 3.401 1.00 0.00 H new ATOM 0 HA SER A 101 5.552 7.020 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.156 7.578 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.924 8.736 2.702 1.00 0.00 H new ATOM 0 HG SER A 101 6.198 7.423 5.053 1.00 0.00 H new ATOM 409 N ALA A 102 7.196 5.107 1.647 1.00 0.00 N ATOM 410 CA ALA A 102 7.917 3.809 1.782 1.00 0.00 C ATOM 411 C ALA A 102 8.065 3.451 3.261 1.00 0.00 C ATOM 412 O ALA A 102 7.992 2.298 3.639 1.00 0.00 O ATOM 413 CB ALA A 102 9.303 3.927 1.143 1.00 0.00 C ATOM 0 H ALA A 102 7.591 5.753 0.964 1.00 0.00 H new ATOM 0 HA ALA A 102 7.349 3.027 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.831 2.978 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.197 4.176 0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.870 4.711 1.645 1.00 0.00 H new ATOM 419 N ALA A 103 8.276 4.423 4.103 1.00 0.00 N ATOM 420 CA ALA A 103 8.430 4.125 5.551 1.00 0.00 C ATOM 421 C ALA A 103 7.116 3.574 6.103 1.00 0.00 C ATOM 422 O ALA A 103 7.097 2.587 6.812 1.00 0.00 O ATOM 423 CB ALA A 103 8.807 5.404 6.302 1.00 0.00 C ATOM 0 H ALA A 103 8.348 5.409 3.851 1.00 0.00 H new ATOM 0 HA ALA A 103 9.217 3.383 5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.919 5.183 7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.747 5.792 5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.023 6.149 6.168 1.00 0.00 H new ATOM 429 N GLU A 104 6.014 4.192 5.778 1.00 0.00 N ATOM 430 CA GLU A 104 4.710 3.684 6.283 1.00 0.00 C ATOM 431 C GLU A 104 4.443 2.314 5.664 1.00 0.00 C ATOM 432 O GLU A 104 3.676 1.525 6.179 1.00 0.00 O ATOM 433 CB GLU A 104 3.594 4.652 5.888 1.00 0.00 C ATOM 434 CG GLU A 104 3.806 5.997 6.591 1.00 0.00 C ATOM 435 CD GLU A 104 4.134 5.763 8.067 1.00 0.00 C ATOM 436 OE1 GLU A 104 5.262 5.396 8.353 1.00 0.00 O ATOM 437 OE2 GLU A 104 3.253 5.957 8.886 1.00 0.00 O ATOM 0 H GLU A 104 5.961 5.022 5.188 1.00 0.00 H new ATOM 0 HA GLU A 104 4.741 3.600 7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.587 4.793 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.624 4.236 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.617 6.545 6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.910 6.610 6.501 1.00 0.00 H new ATOM 444 N LEU A 105 5.077 2.026 4.560 1.00 0.00 N ATOM 445 CA LEU A 105 4.868 0.709 3.901 1.00 0.00 C ATOM 446 C LEU A 105 5.788 -0.335 4.538 1.00 0.00 C ATOM 447 O LEU A 105 5.514 -1.516 4.511 1.00 0.00 O ATOM 448 CB LEU A 105 5.196 0.833 2.414 1.00 0.00 C ATOM 449 CG LEU A 105 4.736 -0.426 1.678 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.247 -0.309 1.348 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.532 -0.576 0.382 1.00 0.00 C ATOM 0 H LEU A 105 5.732 2.648 4.086 1.00 0.00 H new ATOM 0 HA LEU A 105 3.830 0.400 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.704 1.711 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.268 0.974 2.279 1.00 0.00 H new ATOM 0 HG LEU A 105 4.901 -1.298 2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.919 -1.206 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.677 -0.200 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.082 0.562 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.205 -1.473 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.366 0.296 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.594 -0.658 0.615 1.00 0.00 H new ATOM 463 N ARG A 106 6.881 0.093 5.109 1.00 0.00 N ATOM 464 CA ARG A 106 7.821 -0.874 5.743 1.00 0.00 C ATOM 465 C ARG A 106 7.269 -1.306 7.106 1.00 0.00 C ATOM 466 O ARG A 106 7.111 -2.479 7.379 1.00 0.00 O ATOM 467 CB ARG A 106 9.182 -0.196 5.927 1.00 0.00 C ATOM 468 CG ARG A 106 10.064 -1.035 6.854 1.00 0.00 C ATOM 469 CD ARG A 106 10.478 -0.190 8.060 1.00 0.00 C ATOM 470 NE ARG A 106 11.778 0.479 7.772 1.00 0.00 N ATOM 471 CZ ARG A 106 11.973 1.716 8.144 1.00 0.00 C ATOM 472 NH1 ARG A 106 11.971 2.024 9.411 1.00 0.00 N ATOM 473 NH2 ARG A 106 12.173 2.643 7.247 1.00 0.00 N ATOM 0 H ARG A 106 7.164 1.072 5.164 1.00 0.00 H new ATOM 0 HA ARG A 106 7.932 -1.753 5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.670 -0.073 4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.047 0.802 6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.523 -1.922 7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.947 -1.382 6.318 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.713 0.555 8.276 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.568 -0.819 8.945 1.00 0.00 H new ATOM 0 HE ARG A 106 12.516 -0.029 7.284 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.817 1.299 10.112 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.123 2.990 9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.177 2.401 6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.325 3.609 7.537 1.00 0.00 H new ATOM 487 N HIS A 107 6.980 -0.366 7.962 1.00 0.00 N ATOM 488 CA HIS A 107 6.443 -0.715 9.308 1.00 0.00 C ATOM 489 C HIS A 107 5.352 -1.783 9.175 1.00 0.00 C ATOM 490 O HIS A 107 5.317 -2.742 9.919 1.00 0.00 O ATOM 491 CB HIS A 107 5.860 0.549 9.954 1.00 0.00 C ATOM 492 CG HIS A 107 4.930 0.177 11.079 1.00 0.00 C ATOM 493 ND1 HIS A 107 5.342 -0.591 12.157 1.00 0.00 N ATOM 494 CD2 HIS A 107 3.607 0.463 11.306 1.00 0.00 C ATOM 495 CE1 HIS A 107 4.284 -0.739 12.976 1.00 0.00 C ATOM 496 NE2 HIS A 107 3.201 -0.116 12.504 1.00 0.00 N ATOM 0 H HIS A 107 7.093 0.633 7.787 1.00 0.00 H new ATOM 0 HA HIS A 107 7.245 -1.111 9.931 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.666 1.178 10.332 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.323 1.133 9.207 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.977 1.049 10.653 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.308 -1.294 13.902 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.275 -0.074 12.930 1.00 0.00 H new ATOM 504 N VAL A 108 4.453 -1.618 8.243 1.00 0.00 N ATOM 505 CA VAL A 108 3.358 -2.618 8.081 1.00 0.00 C ATOM 506 C VAL A 108 3.847 -3.802 7.249 1.00 0.00 C ATOM 507 O VAL A 108 3.326 -4.895 7.346 1.00 0.00 O ATOM 508 CB VAL A 108 2.169 -1.958 7.383 1.00 0.00 C ATOM 509 CG1 VAL A 108 1.059 -2.991 7.179 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.648 -0.813 8.253 1.00 0.00 C ATOM 0 H VAL A 108 4.429 -0.836 7.588 1.00 0.00 H new ATOM 0 HA VAL A 108 3.054 -2.978 9.064 1.00 0.00 H new ATOM 0 HB VAL A 108 2.482 -1.569 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.211 -2.520 6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.432 -3.810 6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.742 -3.380 8.147 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.800 -0.338 7.760 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.333 -1.205 9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.440 -0.078 8.400 1.00 0.00 H new ATOM 520 N MET A 109 4.841 -3.602 6.434 1.00 0.00 N ATOM 521 CA MET A 109 5.351 -4.728 5.603 1.00 0.00 C ATOM 522 C MET A 109 6.073 -5.734 6.504 1.00 0.00 C ATOM 523 O MET A 109 6.350 -6.849 6.108 1.00 0.00 O ATOM 524 CB MET A 109 6.321 -4.198 4.544 1.00 0.00 C ATOM 525 CG MET A 109 5.538 -3.770 3.299 1.00 0.00 C ATOM 526 SD MET A 109 5.019 -5.236 2.372 1.00 0.00 S ATOM 527 CE MET A 109 3.994 -4.374 1.152 1.00 0.00 C ATOM 0 H MET A 109 5.322 -2.712 6.306 1.00 0.00 H new ATOM 0 HA MET A 109 4.514 -5.217 5.104 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.883 -3.353 4.941 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.047 -4.968 4.283 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.666 -3.184 3.589 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.157 -3.130 2.670 1.00 0.00 H new ATOM 0 HE1 MET A 109 3.929 -4.973 0.243 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.994 -4.222 1.559 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.441 -3.408 0.919 1.00 0.00 H new ATOM 537 N THR A 110 6.378 -5.352 7.716 1.00 0.00 N ATOM 538 CA THR A 110 7.079 -6.291 8.637 1.00 0.00 C ATOM 539 C THR A 110 6.070 -6.909 9.610 1.00 0.00 C ATOM 540 O THR A 110 6.396 -7.794 10.377 1.00 0.00 O ATOM 541 CB THR A 110 8.160 -5.541 9.417 1.00 0.00 C ATOM 542 OG1 THR A 110 8.938 -6.469 10.159 1.00 0.00 O ATOM 543 CG2 THR A 110 7.504 -4.546 10.368 1.00 0.00 C ATOM 0 H THR A 110 6.172 -4.432 8.106 1.00 0.00 H new ATOM 0 HA THR A 110 7.546 -7.084 8.054 1.00 0.00 H new ATOM 0 HB THR A 110 8.804 -5.004 8.721 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.354 -7.166 10.526 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.275 -4.012 10.924 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.909 -3.834 9.796 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.858 -5.080 11.065 1.00 0.00 H new ATOM 551 N ASN A 111 4.845 -6.454 9.583 1.00 0.00 N ATOM 552 CA ASN A 111 3.821 -7.024 10.503 1.00 0.00 C ATOM 553 C ASN A 111 3.943 -8.548 10.510 1.00 0.00 C ATOM 554 O ASN A 111 4.042 -9.170 11.549 1.00 0.00 O ATOM 555 CB ASN A 111 2.424 -6.628 10.017 1.00 0.00 C ATOM 556 CG ASN A 111 1.648 -5.976 11.163 1.00 0.00 C ATOM 557 OD1 ASN A 111 2.103 -5.961 12.290 1.00 0.00 O ATOM 558 ND2 ASN A 111 0.486 -5.433 10.922 1.00 0.00 N ATOM 0 H ASN A 111 4.511 -5.714 8.965 1.00 0.00 H new ATOM 0 HA ASN A 111 3.978 -6.639 11.510 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.502 -5.937 9.178 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.890 -7.508 9.657 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.040 -4.996 11.679 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.104 -5.445 9.976 1.00 0.00 H new ATOM 565 N LEU A 112 3.937 -9.156 9.355 1.00 0.00 N ATOM 566 CA LEU A 112 4.054 -10.639 9.288 1.00 0.00 C ATOM 567 C LEU A 112 4.840 -11.034 8.035 1.00 0.00 C ATOM 568 O LEU A 112 4.861 -12.183 7.639 1.00 0.00 O ATOM 569 CB LEU A 112 2.656 -11.259 9.228 1.00 0.00 C ATOM 570 CG LEU A 112 1.901 -10.954 10.525 1.00 0.00 C ATOM 571 CD1 LEU A 112 0.398 -11.113 10.289 1.00 0.00 C ATOM 572 CD2 LEU A 112 2.352 -11.926 11.618 1.00 0.00 C ATOM 0 H LEU A 112 3.856 -8.687 8.453 1.00 0.00 H new ATOM 0 HA LEU A 112 4.576 -11.002 10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.107 -10.861 8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.731 -12.337 9.084 1.00 0.00 H new ATOM 0 HG LEU A 112 2.113 -9.932 10.838 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.140 -10.896 11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.077 -10.421 9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.185 -12.135 9.976 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.815 -11.710 12.542 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.140 -12.949 11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.423 -11.813 11.786 1.00 0.00 H new ATOM 584 N GLY A 113 5.490 -10.093 7.409 1.00 0.00 N ATOM 585 CA GLY A 113 6.276 -10.416 6.183 1.00 0.00 C ATOM 586 C GLY A 113 7.690 -9.855 6.328 1.00 0.00 C ATOM 587 O GLY A 113 8.378 -9.618 5.355 1.00 0.00 O ATOM 0 H GLY A 113 5.512 -9.113 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.314 -11.495 6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.792 -9.991 5.304 1.00 0.00 H new ATOM 591 N GLU A 114 8.125 -9.635 7.538 1.00 0.00 N ATOM 592 CA GLU A 114 9.494 -9.084 7.751 1.00 0.00 C ATOM 593 C GLU A 114 9.587 -7.699 7.107 1.00 0.00 C ATOM 594 O GLU A 114 8.876 -7.391 6.171 1.00 0.00 O ATOM 595 CB GLU A 114 10.528 -10.018 7.117 1.00 0.00 C ATOM 596 CG GLU A 114 10.587 -11.325 7.909 1.00 0.00 C ATOM 597 CD GLU A 114 11.917 -11.411 8.661 1.00 0.00 C ATOM 598 OE1 GLU A 114 12.918 -10.992 8.103 1.00 0.00 O ATOM 599 OE2 GLU A 114 11.912 -11.895 9.781 1.00 0.00 O ATOM 0 H GLU A 114 7.592 -9.813 8.389 1.00 0.00 H new ATOM 0 HA GLU A 114 9.693 -9.003 8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.263 -10.221 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.508 -9.541 7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.756 -11.373 8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.483 -12.175 7.235 1.00 0.00 H new ATOM 606 N LYS A 115 10.454 -6.859 7.600 1.00 0.00 N ATOM 607 CA LYS A 115 10.584 -5.495 7.017 1.00 0.00 C ATOM 608 C LYS A 115 11.371 -5.568 5.705 1.00 0.00 C ATOM 609 O LYS A 115 12.462 -6.100 5.653 1.00 0.00 O ATOM 610 CB LYS A 115 11.321 -4.589 8.004 1.00 0.00 C ATOM 611 CG LYS A 115 12.759 -5.083 8.171 1.00 0.00 C ATOM 612 CD LYS A 115 13.244 -4.781 9.589 1.00 0.00 C ATOM 613 CE LYS A 115 12.739 -5.864 10.545 1.00 0.00 C ATOM 614 NZ LYS A 115 13.900 -6.501 11.230 1.00 0.00 N ATOM 0 H LYS A 115 11.078 -7.058 8.382 1.00 0.00 H new ATOM 0 HA LYS A 115 9.592 -5.090 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.318 -3.561 7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.810 -4.590 8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.811 -6.155 7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.408 -4.597 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.333 -4.741 9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.883 -3.803 9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.063 -5.429 11.281 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.171 -6.614 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.558 -7.237 11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.529 -6.930 10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.424 -5.781 11.767 1.00 0.00 H new ATOM 628 N LEU A 116 10.826 -5.034 4.645 1.00 0.00 N ATOM 629 CA LEU A 116 11.543 -5.069 3.339 1.00 0.00 C ATOM 630 C LEU A 116 12.748 -4.131 3.399 1.00 0.00 C ATOM 631 O LEU A 116 12.914 -3.379 4.337 1.00 0.00 O ATOM 632 CB LEU A 116 10.603 -4.608 2.222 1.00 0.00 C ATOM 633 CG LEU A 116 9.786 -5.797 1.721 1.00 0.00 C ATOM 634 CD1 LEU A 116 8.812 -6.231 2.816 1.00 0.00 C ATOM 635 CD2 LEU A 116 9.003 -5.388 0.471 1.00 0.00 C ATOM 0 H LEU A 116 9.915 -4.575 4.628 1.00 0.00 H new ATOM 0 HA LEU A 116 11.876 -6.087 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.939 -3.826 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.178 -4.177 1.403 1.00 0.00 H new ATOM 0 HG LEU A 116 10.452 -6.624 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.225 -7.080 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 116 9.371 -6.519 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.145 -5.404 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.420 -6.236 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.333 -4.564 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.698 -5.072 -0.307 1.00 0.00 H new ATOM 647 N THR A 117 13.585 -4.164 2.402 1.00 0.00 N ATOM 648 CA THR A 117 14.771 -3.265 2.405 1.00 0.00 C ATOM 649 C THR A 117 14.400 -1.956 1.707 1.00 0.00 C ATOM 650 O THR A 117 13.249 -1.706 1.411 1.00 0.00 O ATOM 651 CB THR A 117 15.939 -3.928 1.664 1.00 0.00 C ATOM 652 OG1 THR A 117 15.978 -3.455 0.327 1.00 0.00 O ATOM 653 CG2 THR A 117 15.765 -5.450 1.663 1.00 0.00 C ATOM 0 H THR A 117 13.500 -4.772 1.588 1.00 0.00 H new ATOM 0 HA THR A 117 15.075 -3.068 3.433 1.00 0.00 H new ATOM 0 HB THR A 117 16.871 -3.677 2.170 1.00 0.00 H new ATOM 0 HG1 THR A 117 16.725 -3.876 -0.147 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.599 -5.911 1.135 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.740 -5.814 2.690 1.00 0.00 H new ATOM 0 HG23 THR A 117 14.831 -5.709 1.164 1.00 0.00 H new ATOM 661 N ASP A 118 15.362 -1.120 1.439 1.00 0.00 N ATOM 662 CA ASP A 118 15.057 0.168 0.758 1.00 0.00 C ATOM 663 C ASP A 118 14.999 -0.059 -0.752 1.00 0.00 C ATOM 664 O ASP A 118 14.062 0.338 -1.416 1.00 0.00 O ATOM 665 CB ASP A 118 16.154 1.178 1.074 1.00 0.00 C ATOM 666 CG ASP A 118 15.789 1.963 2.336 1.00 0.00 C ATOM 667 OD1 ASP A 118 14.618 2.263 2.504 1.00 0.00 O ATOM 668 OD2 ASP A 118 16.686 2.252 3.111 1.00 0.00 O ATOM 0 H ASP A 118 16.346 -1.272 1.662 1.00 0.00 H new ATOM 0 HA ASP A 118 14.097 0.548 1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.104 0.664 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.284 1.861 0.235 1.00 0.00 H new ATOM 673 N GLU A 119 15.996 -0.699 -1.298 1.00 0.00 N ATOM 674 CA GLU A 119 16.007 -0.955 -2.765 1.00 0.00 C ATOM 675 C GLU A 119 14.880 -1.927 -3.120 1.00 0.00 C ATOM 676 O GLU A 119 14.554 -2.122 -4.274 1.00 0.00 O ATOM 677 CB GLU A 119 17.351 -1.568 -3.160 1.00 0.00 C ATOM 678 CG GLU A 119 18.098 -0.611 -4.091 1.00 0.00 C ATOM 679 CD GLU A 119 17.647 -0.843 -5.534 1.00 0.00 C ATOM 680 OE1 GLU A 119 16.948 -1.816 -5.766 1.00 0.00 O ATOM 681 OE2 GLU A 119 18.007 -0.044 -6.382 1.00 0.00 O ATOM 0 H GLU A 119 16.805 -1.056 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 119 15.861 -0.018 -3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.948 -1.765 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.194 -2.525 -3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.904 0.421 -3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 119 19.173 -0.769 -4.005 1.00 0.00 H new ATOM 688 N GLU A 120 14.287 -2.540 -2.135 1.00 0.00 N ATOM 689 CA GLU A 120 13.188 -3.501 -2.408 1.00 0.00 C ATOM 690 C GLU A 120 11.836 -2.819 -2.181 1.00 0.00 C ATOM 691 O GLU A 120 10.904 -3.000 -2.940 1.00 0.00 O ATOM 692 CB GLU A 120 13.323 -4.702 -1.468 1.00 0.00 C ATOM 693 CG GLU A 120 12.038 -5.529 -1.499 1.00 0.00 C ATOM 694 CD GLU A 120 12.383 -6.999 -1.749 1.00 0.00 C ATOM 695 OE1 GLU A 120 13.300 -7.489 -1.109 1.00 0.00 O ATOM 696 OE2 GLU A 120 11.728 -7.609 -2.577 1.00 0.00 O ATOM 0 H GLU A 120 14.518 -2.415 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 120 13.248 -3.838 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.170 -5.318 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.522 -4.360 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.503 -5.425 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.375 -5.162 -2.283 1.00 0.00 H new ATOM 703 N VAL A 121 11.721 -2.040 -1.141 1.00 0.00 N ATOM 704 CA VAL A 121 10.426 -1.352 -0.866 1.00 0.00 C ATOM 705 C VAL A 121 10.021 -0.514 -2.083 1.00 0.00 C ATOM 706 O VAL A 121 8.916 -0.615 -2.576 1.00 0.00 O ATOM 707 CB VAL A 121 10.580 -0.442 0.355 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.405 0.537 0.421 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.596 -1.298 1.624 1.00 0.00 C ATOM 0 H VAL A 121 12.466 -1.850 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 121 9.655 -2.097 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 121 11.512 0.117 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.518 1.183 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.387 1.146 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.471 -0.020 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.706 -0.654 2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.662 -1.855 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.432 -1.996 1.581 1.00 0.00 H new ATOM 719 N ASP A 122 10.903 0.318 -2.566 1.00 0.00 N ATOM 720 CA ASP A 122 10.567 1.163 -3.743 1.00 0.00 C ATOM 721 C ASP A 122 10.126 0.275 -4.907 1.00 0.00 C ATOM 722 O ASP A 122 9.370 0.690 -5.761 1.00 0.00 O ATOM 723 CB ASP A 122 11.798 1.968 -4.158 1.00 0.00 C ATOM 724 CG ASP A 122 11.900 3.229 -3.298 1.00 0.00 C ATOM 725 OD1 ASP A 122 11.659 3.130 -2.106 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.216 4.272 -3.846 1.00 0.00 O ATOM 0 H ASP A 122 11.844 0.448 -2.194 1.00 0.00 H new ATOM 0 HA ASP A 122 9.756 1.842 -3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.697 1.363 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 122 11.730 2.239 -5.212 1.00 0.00 H new ATOM 731 N GLU A 123 10.595 -0.940 -4.953 1.00 0.00 N ATOM 732 CA GLU A 123 10.199 -1.847 -6.067 1.00 0.00 C ATOM 733 C GLU A 123 8.804 -2.414 -5.789 1.00 0.00 C ATOM 734 O GLU A 123 8.054 -2.712 -6.696 1.00 0.00 O ATOM 735 CB GLU A 123 11.209 -2.990 -6.181 1.00 0.00 C ATOM 736 CG GLU A 123 12.511 -2.456 -6.782 1.00 0.00 C ATOM 737 CD GLU A 123 13.647 -3.442 -6.507 1.00 0.00 C ATOM 738 OE1 GLU A 123 13.433 -4.362 -5.735 1.00 0.00 O ATOM 739 OE2 GLU A 123 14.712 -3.261 -7.073 1.00 0.00 O ATOM 0 H GLU A 123 11.234 -1.344 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 123 10.182 -1.289 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.399 -3.422 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.806 -3.786 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 123 12.395 -2.311 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.749 -1.483 -6.353 1.00 0.00 H new ATOM 746 N MET A 124 8.445 -2.553 -4.542 1.00 0.00 N ATOM 747 CA MET A 124 7.092 -3.082 -4.217 1.00 0.00 C ATOM 748 C MET A 124 6.073 -1.954 -4.394 1.00 0.00 C ATOM 749 O MET A 124 4.905 -2.184 -4.636 1.00 0.00 O ATOM 750 CB MET A 124 7.066 -3.582 -2.774 1.00 0.00 C ATOM 751 CG MET A 124 7.910 -4.852 -2.652 1.00 0.00 C ATOM 752 SD MET A 124 6.985 -6.098 -1.717 1.00 0.00 S ATOM 753 CE MET A 124 8.067 -7.504 -2.071 1.00 0.00 C ATOM 0 H MET A 124 9.028 -2.324 -3.737 1.00 0.00 H new ATOM 0 HA MET A 124 6.847 -3.912 -4.880 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.451 -2.812 -2.105 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.040 -3.785 -2.468 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.158 -5.234 -3.642 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.852 -4.630 -2.151 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.759 -8.360 -1.470 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.998 -7.759 -3.129 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.096 -7.241 -1.828 1.00 0.00 H new ATOM 763 N ILE A 125 6.522 -0.734 -4.278 1.00 0.00 N ATOM 764 CA ILE A 125 5.616 0.432 -4.439 1.00 0.00 C ATOM 765 C ILE A 125 5.469 0.759 -5.926 1.00 0.00 C ATOM 766 O ILE A 125 4.411 1.116 -6.395 1.00 0.00 O ATOM 767 CB ILE A 125 6.228 1.636 -3.722 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.110 1.444 -2.206 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.487 2.910 -4.140 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.354 2.778 -1.496 1.00 0.00 C ATOM 0 H ILE A 125 7.493 -0.496 -4.076 1.00 0.00 H new ATOM 0 HA ILE A 125 4.638 0.201 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 125 7.280 1.725 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.120 1.063 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.833 0.703 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 125 5.923 3.769 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.576 3.046 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.434 2.824 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.269 2.637 -0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.353 3.141 -1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.614 3.507 -1.826 1.00 0.00 H new ATOM 782 N ARG A 126 6.542 0.657 -6.656 1.00 0.00 N ATOM 783 CA ARG A 126 6.517 0.977 -8.118 1.00 0.00 C ATOM 784 C ARG A 126 5.257 0.413 -8.797 1.00 0.00 C ATOM 785 O ARG A 126 4.858 0.881 -9.845 1.00 0.00 O ATOM 786 CB ARG A 126 7.771 0.394 -8.785 1.00 0.00 C ATOM 787 CG ARG A 126 7.567 -1.095 -9.083 1.00 0.00 C ATOM 788 CD ARG A 126 8.910 -1.731 -9.452 1.00 0.00 C ATOM 789 NE ARG A 126 9.064 -1.742 -10.934 1.00 0.00 N ATOM 790 CZ ARG A 126 10.254 -1.707 -11.469 1.00 0.00 C ATOM 791 NH1 ARG A 126 11.288 -2.132 -10.796 1.00 0.00 N ATOM 792 NH2 ARG A 126 10.411 -1.246 -12.680 1.00 0.00 N ATOM 0 H ARG A 126 7.451 0.361 -6.301 1.00 0.00 H new ATOM 0 HA ARG A 126 6.501 2.061 -8.232 1.00 0.00 H new ATOM 0 HB2 ARG A 126 7.984 0.932 -9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.634 0.527 -8.133 1.00 0.00 H new ATOM 0 HG2 ARG A 126 7.142 -1.596 -8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 126 6.857 -1.219 -9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.727 -1.172 -8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.962 -2.748 -9.063 1.00 0.00 H new ATOM 0 HE ARG A 126 8.238 -1.777 -11.531 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.167 -2.493 -9.850 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.217 -2.104 -11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 126 9.604 -0.913 -13.208 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.341 -1.218 -13.099 1.00 0.00 H new ATOM 806 N GLU A 127 4.624 -0.579 -8.228 1.00 0.00 N ATOM 807 CA GLU A 127 3.401 -1.138 -8.875 1.00 0.00 C ATOM 808 C GLU A 127 2.190 -0.322 -8.432 1.00 0.00 C ATOM 809 O GLU A 127 1.326 0.014 -9.217 1.00 0.00 O ATOM 810 CB GLU A 127 3.218 -2.595 -8.459 1.00 0.00 C ATOM 811 CG GLU A 127 4.422 -3.414 -8.930 1.00 0.00 C ATOM 812 CD GLU A 127 3.940 -4.588 -9.786 1.00 0.00 C ATOM 813 OE1 GLU A 127 3.483 -5.564 -9.215 1.00 0.00 O ATOM 814 OE2 GLU A 127 4.038 -4.490 -10.999 1.00 0.00 O ATOM 0 H GLU A 127 4.898 -1.023 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 127 3.503 -1.089 -9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.118 -2.665 -7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.301 -2.995 -8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.100 -2.785 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.982 -3.783 -8.071 1.00 0.00 H new ATOM 821 N ALA A 128 2.135 0.002 -7.176 1.00 0.00 N ATOM 822 CA ALA A 128 1.000 0.805 -6.648 1.00 0.00 C ATOM 823 C ALA A 128 1.370 2.289 -6.697 1.00 0.00 C ATOM 824 O ALA A 128 0.669 3.136 -6.180 1.00 0.00 O ATOM 825 CB ALA A 128 0.766 0.398 -5.201 1.00 0.00 C ATOM 0 H ALA A 128 2.836 -0.258 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 128 0.103 0.634 -7.243 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.063 0.974 -4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.527 -0.665 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.666 0.592 -4.618 1.00 0.00 H new ATOM 831 N ASP A 129 2.480 2.597 -7.302 1.00 0.00 N ATOM 832 CA ASP A 129 2.929 4.015 -7.378 1.00 0.00 C ATOM 833 C ASP A 129 2.006 4.819 -8.292 1.00 0.00 C ATOM 834 O ASP A 129 1.687 4.411 -9.392 1.00 0.00 O ATOM 835 CB ASP A 129 4.353 4.066 -7.932 1.00 0.00 C ATOM 836 CG ASP A 129 5.294 4.638 -6.871 1.00 0.00 C ATOM 837 OD1 ASP A 129 4.856 5.490 -6.115 1.00 0.00 O ATOM 838 OD2 ASP A 129 6.438 4.212 -6.829 1.00 0.00 O ATOM 0 H ASP A 129 3.101 1.924 -7.751 1.00 0.00 H new ATOM 0 HA ASP A 129 2.901 4.447 -6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.678 3.066 -8.221 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.383 4.683 -8.830 1.00 0.00 H new ATOM 843 N ILE A 130 1.587 5.967 -7.843 1.00 0.00 N ATOM 844 CA ILE A 130 0.697 6.822 -8.668 1.00 0.00 C ATOM 845 C ILE A 130 1.277 6.961 -10.073 1.00 0.00 C ATOM 846 O ILE A 130 0.573 6.878 -11.060 1.00 0.00 O ATOM 847 CB ILE A 130 0.599 8.199 -8.014 1.00 0.00 C ATOM 848 CG1 ILE A 130 -0.095 8.071 -6.657 1.00 0.00 C ATOM 849 CG2 ILE A 130 -0.205 9.140 -8.910 1.00 0.00 C ATOM 850 CD1 ILE A 130 0.507 9.082 -5.679 1.00 0.00 C ATOM 0 H ILE A 130 1.827 6.352 -6.929 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.293 6.371 -8.737 1.00 0.00 H new ATOM 0 HB ILE A 130 1.602 8.603 -7.875 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.165 8.247 -6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.024 7.059 -6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.272 10.121 -8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.291 9.234 -9.876 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.207 8.737 -9.054 1.00 0.00 H new ATOM 0 HD11 ILE A 130 0.013 8.991 -4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.573 8.885 -5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.365 10.091 -6.066 1.00 0.00 H new ATOM 862 N ASP A 131 2.554 7.176 -10.170 1.00 0.00 N ATOM 863 CA ASP A 131 3.185 7.324 -11.512 1.00 0.00 C ATOM 864 C ASP A 131 4.676 6.991 -11.428 1.00 0.00 C ATOM 865 O ASP A 131 5.245 6.422 -12.338 1.00 0.00 O ATOM 866 CB ASP A 131 3.017 8.766 -11.996 1.00 0.00 C ATOM 867 CG ASP A 131 2.977 8.789 -13.524 1.00 0.00 C ATOM 868 OD1 ASP A 131 2.376 7.894 -14.094 1.00 0.00 O ATOM 869 OD2 ASP A 131 3.549 9.701 -14.098 1.00 0.00 O ATOM 0 H ASP A 131 3.193 7.256 -9.379 1.00 0.00 H new ATOM 0 HA ASP A 131 2.703 6.640 -12.211 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.099 9.192 -11.591 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.841 9.381 -11.634 1.00 0.00 H new ATOM 874 N GLY A 132 5.314 7.342 -10.348 1.00 0.00 N ATOM 875 CA GLY A 132 6.768 7.048 -10.217 1.00 0.00 C ATOM 876 C GLY A 132 7.402 8.025 -9.227 1.00 0.00 C ATOM 877 O GLY A 132 8.496 8.511 -9.431 1.00 0.00 O ATOM 0 H GLY A 132 4.893 7.819 -9.551 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.913 6.023 -9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 132 7.255 7.132 -11.188 1.00 0.00 H new ATOM 881 N ASP A 133 6.722 8.316 -8.152 1.00 0.00 N ATOM 882 CA ASP A 133 7.286 9.259 -7.147 1.00 0.00 C ATOM 883 C ASP A 133 7.847 8.468 -5.971 1.00 0.00 C ATOM 884 O ASP A 133 8.709 8.928 -5.247 1.00 0.00 O ATOM 885 CB ASP A 133 6.195 10.204 -6.654 1.00 0.00 C ATOM 886 CG ASP A 133 4.861 9.457 -6.570 1.00 0.00 C ATOM 887 OD1 ASP A 133 4.872 8.309 -6.161 1.00 0.00 O ATOM 888 OD2 ASP A 133 3.853 10.049 -6.917 1.00 0.00 O ATOM 0 H ASP A 133 5.800 7.941 -7.927 1.00 0.00 H new ATOM 0 HA ASP A 133 8.083 9.843 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.461 10.603 -5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.104 11.054 -7.330 1.00 0.00 H new ATOM 893 N GLY A 134 7.365 7.280 -5.784 1.00 0.00 N ATOM 894 CA GLY A 134 7.862 6.436 -4.661 1.00 0.00 C ATOM 895 C GLY A 134 6.774 6.304 -3.596 1.00 0.00 C ATOM 896 O GLY A 134 6.821 5.433 -2.751 1.00 0.00 O ATOM 0 H GLY A 134 6.643 6.849 -6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 134 8.144 5.450 -5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.757 6.881 -4.227 1.00 0.00 H new ATOM 900 N GLN A 135 5.793 7.164 -3.623 1.00 0.00 N ATOM 901 CA GLN A 135 4.706 7.085 -2.607 1.00 0.00 C ATOM 902 C GLN A 135 3.457 6.460 -3.234 1.00 0.00 C ATOM 903 O GLN A 135 3.371 6.286 -4.433 1.00 0.00 O ATOM 904 CB GLN A 135 4.381 8.496 -2.101 1.00 0.00 C ATOM 905 CG GLN A 135 3.474 9.214 -3.108 1.00 0.00 C ATOM 906 CD GLN A 135 3.768 10.714 -3.093 1.00 0.00 C ATOM 907 OE1 GLN A 135 3.561 11.395 -4.078 1.00 0.00 O ATOM 908 NE2 GLN A 135 4.244 11.263 -2.010 1.00 0.00 N ATOM 0 H GLN A 135 5.697 7.917 -4.304 1.00 0.00 H new ATOM 0 HA GLN A 135 5.033 6.466 -1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.889 8.439 -1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.302 9.062 -1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.636 8.812 -4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.428 9.037 -2.859 1.00 0.00 H new ATOM 0 HE21 GLN A 135 4.418 10.692 -1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.442 12.263 -1.990 1.00 0.00 H new ATOM 917 N VAL A 136 2.490 6.120 -2.429 1.00 0.00 N ATOM 918 CA VAL A 136 1.249 5.507 -2.972 1.00 0.00 C ATOM 919 C VAL A 136 0.030 6.272 -2.452 1.00 0.00 C ATOM 920 O VAL A 136 0.122 7.054 -1.531 1.00 0.00 O ATOM 921 CB VAL A 136 1.167 4.059 -2.491 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.211 3.486 -2.827 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.251 3.222 -3.180 1.00 0.00 C ATOM 0 H VAL A 136 2.507 6.241 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 136 1.266 5.545 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 136 1.321 4.029 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.269 2.453 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.981 4.077 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.366 3.519 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.189 2.190 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.103 3.252 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.233 3.628 -2.937 1.00 0.00 H new ATOM 933 N ASN A 137 -1.117 6.038 -3.020 1.00 0.00 N ATOM 934 CA ASN A 137 -2.340 6.728 -2.530 1.00 0.00 C ATOM 935 C ASN A 137 -3.480 5.707 -2.508 1.00 0.00 C ATOM 936 O ASN A 137 -3.261 4.532 -2.722 1.00 0.00 O ATOM 937 CB ASN A 137 -2.679 7.922 -3.429 1.00 0.00 C ATOM 938 CG ASN A 137 -3.378 7.448 -4.696 1.00 0.00 C ATOM 939 OD1 ASN A 137 -2.832 6.666 -5.440 1.00 0.00 O ATOM 940 ND2 ASN A 137 -4.569 7.900 -4.979 1.00 0.00 N ATOM 0 H ASN A 137 -1.261 5.399 -3.802 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.180 7.120 -1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.320 8.620 -2.891 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -1.768 8.461 -3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.042 7.594 -5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.027 8.559 -4.350 1.00 0.00 H new ATOM 947 N TYR A 138 -4.680 6.117 -2.226 1.00 0.00 N ATOM 948 CA TYR A 138 -5.791 5.129 -2.162 1.00 0.00 C ATOM 949 C TYR A 138 -6.188 4.633 -3.557 1.00 0.00 C ATOM 950 O TYR A 138 -6.437 3.460 -3.751 1.00 0.00 O ATOM 951 CB TYR A 138 -7.003 5.773 -1.498 1.00 0.00 C ATOM 952 CG TYR A 138 -8.144 4.795 -1.530 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.029 3.590 -0.837 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.305 5.081 -2.256 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.076 2.662 -0.866 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.355 4.155 -2.285 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.240 2.945 -1.589 1.00 0.00 C ATOM 958 OH TYR A 138 -11.273 2.032 -1.620 1.00 0.00 O ATOM 0 H TYR A 138 -4.941 7.085 -2.038 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.446 4.273 -1.581 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.769 6.048 -0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.277 6.691 -2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.131 3.373 -0.278 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.391 6.014 -2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -8.986 1.728 -0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.253 4.374 -2.844 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.006 2.386 -2.166 1.00 0.00 H new ATOM 968 N GLU A 139 -6.282 5.503 -4.522 1.00 0.00 N ATOM 969 CA GLU A 139 -6.699 5.054 -5.883 1.00 0.00 C ATOM 970 C GLU A 139 -5.638 4.139 -6.501 1.00 0.00 C ATOM 971 O GLU A 139 -5.951 3.240 -7.255 1.00 0.00 O ATOM 972 CB GLU A 139 -6.912 6.271 -6.784 1.00 0.00 C ATOM 973 CG GLU A 139 -8.051 5.986 -7.764 1.00 0.00 C ATOM 974 CD GLU A 139 -8.448 7.279 -8.478 1.00 0.00 C ATOM 975 OE1 GLU A 139 -9.173 8.062 -7.887 1.00 0.00 O ATOM 976 OE2 GLU A 139 -8.021 7.463 -9.607 1.00 0.00 O ATOM 0 H GLU A 139 -6.090 6.501 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.631 4.496 -5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.148 7.147 -6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -5.996 6.498 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.739 5.237 -8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.908 5.575 -7.231 1.00 0.00 H new ATOM 983 N GLU A 140 -4.390 4.357 -6.197 1.00 0.00 N ATOM 984 CA GLU A 140 -3.328 3.490 -6.781 1.00 0.00 C ATOM 985 C GLU A 140 -3.150 2.253 -5.901 1.00 0.00 C ATOM 986 O GLU A 140 -2.796 1.189 -6.370 1.00 0.00 O ATOM 987 CB GLU A 140 -2.020 4.279 -6.872 1.00 0.00 C ATOM 988 CG GLU A 140 -2.279 5.568 -7.653 1.00 0.00 C ATOM 989 CD GLU A 140 -2.268 5.271 -9.155 1.00 0.00 C ATOM 990 OE1 GLU A 140 -1.578 4.348 -9.552 1.00 0.00 O ATOM 991 OE2 GLU A 140 -2.954 5.974 -9.881 1.00 0.00 O ATOM 0 H GLU A 140 -4.060 5.093 -5.573 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.613 3.172 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.648 4.510 -5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.253 3.684 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.240 5.993 -7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.517 6.309 -7.413 1.00 0.00 H new ATOM 998 N PHE A 141 -3.417 2.377 -4.631 1.00 0.00 N ATOM 999 CA PHE A 141 -3.291 1.207 -3.724 1.00 0.00 C ATOM 1000 C PHE A 141 -4.479 0.277 -3.963 1.00 0.00 C ATOM 1001 O PHE A 141 -4.424 -0.903 -3.692 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.310 1.692 -2.274 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.564 0.528 -1.340 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -4.877 0.173 -1.006 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -2.487 -0.185 -0.801 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -5.114 -0.897 -0.135 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -2.723 -1.253 0.072 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.036 -1.610 0.404 1.00 0.00 C ATOM 0 H PHE A 141 -3.718 3.242 -4.182 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.358 0.678 -3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.359 2.165 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.085 2.448 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -5.707 0.725 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.475 0.089 -1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.127 -1.172 0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.892 -1.802 0.490 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.217 -2.436 1.076 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.558 0.812 -4.462 1.00 0.00 N ATOM 1019 CA VAL A 142 -6.764 -0.025 -4.717 1.00 0.00 C ATOM 1020 C VAL A 142 -6.496 -0.991 -5.877 1.00 0.00 C ATOM 1021 O VAL A 142 -6.828 -2.158 -5.812 1.00 0.00 O ATOM 1022 CB VAL A 142 -7.939 0.887 -5.077 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.085 0.051 -5.646 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.420 1.620 -3.821 1.00 0.00 C ATOM 0 H VAL A 142 -5.657 1.798 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.000 -0.600 -3.822 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.616 1.613 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -9.920 0.704 -5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -8.745 -0.470 -6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.408 -0.677 -4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.257 2.270 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -8.740 0.892 -3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -7.605 2.220 -3.416 1.00 0.00 H new ATOM 1034 N GLN A 143 -5.908 -0.516 -6.941 1.00 0.00 N ATOM 1035 CA GLN A 143 -5.632 -1.409 -8.104 1.00 0.00 C ATOM 1036 C GLN A 143 -4.896 -2.666 -7.634 1.00 0.00 C ATOM 1037 O GLN A 143 -5.137 -3.755 -8.119 1.00 0.00 O ATOM 1038 CB GLN A 143 -4.771 -0.666 -9.124 1.00 0.00 C ATOM 1039 CG GLN A 143 -5.588 0.458 -9.762 1.00 0.00 C ATOM 1040 CD GLN A 143 -6.786 -0.141 -10.501 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -6.635 -0.715 -11.561 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -7.978 -0.031 -9.983 1.00 0.00 N ATOM 0 H GLN A 143 -5.607 0.452 -7.056 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.577 -1.699 -8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.886 -0.255 -8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -4.421 -1.356 -9.892 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -5.930 1.154 -8.996 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -4.967 1.026 -10.454 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -8.105 0.451 -9.093 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.783 -0.427 -10.468 1.00 0.00 H new ATOM 1051 N MET A 144 -3.998 -2.527 -6.699 1.00 0.00 N ATOM 1052 CA MET A 144 -3.244 -3.715 -6.204 1.00 0.00 C ATOM 1053 C MET A 144 -4.106 -4.502 -5.215 1.00 0.00 C ATOM 1054 O MET A 144 -4.143 -5.715 -5.241 1.00 0.00 O ATOM 1055 CB MET A 144 -1.968 -3.245 -5.503 1.00 0.00 C ATOM 1056 CG MET A 144 -1.040 -4.439 -5.274 1.00 0.00 C ATOM 1057 SD MET A 144 -0.175 -4.238 -3.696 1.00 0.00 S ATOM 1058 CE MET A 144 -0.871 -5.686 -2.863 1.00 0.00 C ATOM 0 H MET A 144 -3.753 -1.642 -6.255 1.00 0.00 H new ATOM 0 HA MET A 144 -2.988 -4.357 -7.047 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.465 -2.491 -6.108 1.00 0.00 H new ATOM 0 HB3 MET A 144 -2.216 -2.776 -4.551 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.615 -5.365 -5.270 1.00 0.00 H new ATOM 0 HG3 MET A 144 -0.320 -4.515 -6.089 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.465 -5.756 -1.854 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.956 -5.590 -2.812 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.612 -6.586 -3.421 1.00 0.00 H new ATOM 1068 N MET A 145 -4.789 -3.823 -4.336 1.00 0.00 N ATOM 1069 CA MET A 145 -5.636 -4.534 -3.342 1.00 0.00 C ATOM 1070 C MET A 145 -6.821 -5.196 -4.046 1.00 0.00 C ATOM 1071 O MET A 145 -7.549 -5.970 -3.457 1.00 0.00 O ATOM 1072 CB MET A 145 -6.159 -3.538 -2.304 1.00 0.00 C ATOM 1073 CG MET A 145 -6.294 -4.235 -0.949 1.00 0.00 C ATOM 1074 SD MET A 145 -8.044 -4.518 -0.583 1.00 0.00 S ATOM 1075 CE MET A 145 -7.818 -5.949 0.503 1.00 0.00 C ATOM 0 H MET A 145 -4.796 -2.806 -4.264 1.00 0.00 H new ATOM 0 HA MET A 145 -5.036 -5.298 -2.847 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.478 -2.691 -2.223 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.125 -3.142 -2.619 1.00 0.00 H new ATOM 0 HG2 MET A 145 -5.757 -5.183 -0.961 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.843 -3.623 -0.168 1.00 0.00 H new ATOM 0 HE1 MET A 145 -8.790 -6.297 0.853 1.00 0.00 H new ATOM 0 HE2 MET A 145 -7.323 -6.749 -0.048 1.00 0.00 H new ATOM 0 HE3 MET A 145 -7.205 -5.664 1.358 1.00 0.00 H new ATOM 1085 N THR A 146 -7.030 -4.892 -5.296 1.00 0.00 N ATOM 1086 CA THR A 146 -8.168 -5.495 -6.024 1.00 0.00 C ATOM 1087 C THR A 146 -7.644 -6.576 -6.978 1.00 0.00 C ATOM 1088 O THR A 146 -8.403 -7.289 -7.603 1.00 0.00 O ATOM 1089 CB THR A 146 -8.875 -4.387 -6.808 1.00 0.00 C ATOM 1090 OG1 THR A 146 -9.701 -3.639 -5.926 1.00 0.00 O ATOM 1091 CG2 THR A 146 -9.729 -5.000 -7.907 1.00 0.00 C ATOM 0 H THR A 146 -6.457 -4.249 -5.842 1.00 0.00 H new ATOM 0 HA THR A 146 -8.870 -5.957 -5.329 1.00 0.00 H new ATOM 0 HB THR A 146 -8.130 -3.730 -7.257 1.00 0.00 H new ATOM 0 HG1 THR A 146 -10.153 -2.928 -6.426 1.00 0.00 H new ATOM 0 HG21 THR A 146 -10.231 -4.208 -8.463 1.00 0.00 H new ATOM 0 HG22 THR A 146 -9.095 -5.573 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 146 -10.475 -5.660 -7.463 1.00 0.00 H new