USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 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+ 157:sc= -0.115 (180deg=-0.79) USER MOD Single : A 97 ASN : amide:sc= -1.08 K(o=-1.1,f=-3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 107 HIS : no HE2:sc= -3.29 K(o=-3.3,f=-5!) USER MOD Single : A 109 MET CE :methyl -110:sc= -2.5! (180deg=-4.97!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.1!) USER MOD Single : A 115 LYS NZ :NH3+ 156:sc= -0.0406 (180deg=-0.443) USER MOD Single : A 117 THR OG1 : rot -131:sc= 0.166 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.353 K(o=-0.35,f=-2.5!) USER MOD Single : A 137 ASN :FLIP amide:sc= -2.08 F(o=-5.9!,f=-2.1) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -126:sc= -2.01! (180deg=-5.38!) USER MOD Single : A 145 MET CE :methyl -117:sc= -0.59 (180deg=-3.45!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0.0125 USER MOD ----------------------------------------------------------------- ATOM 106 N GLU A 83 -15.757 -0.351 0.523 1.00 0.00 N ATOM 107 CA GLU A 83 -15.320 0.131 1.859 1.00 0.00 C ATOM 108 C GLU A 83 -14.230 -0.796 2.396 1.00 0.00 C ATOM 109 O GLU A 83 -13.459 -0.432 3.263 1.00 0.00 O ATOM 110 CB GLU A 83 -16.511 0.131 2.818 1.00 0.00 C ATOM 111 CG GLU A 83 -16.195 1.020 4.023 1.00 0.00 C ATOM 112 CD GLU A 83 -17.207 0.749 5.137 1.00 0.00 C ATOM 113 OE1 GLU A 83 -18.049 -0.113 4.949 1.00 0.00 O ATOM 114 OE2 GLU A 83 -17.123 1.410 6.159 1.00 0.00 O ATOM 0 HA GLU A 83 -14.928 1.145 1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.403 0.495 2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -16.726 -0.885 3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.184 0.822 4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.230 2.070 3.733 1.00 0.00 H new ATOM 121 N GLU A 84 -14.163 -1.995 1.886 1.00 0.00 N ATOM 122 CA GLU A 84 -13.126 -2.954 2.359 1.00 0.00 C ATOM 123 C GLU A 84 -11.737 -2.436 1.976 1.00 0.00 C ATOM 124 O GLU A 84 -10.778 -2.607 2.702 1.00 0.00 O ATOM 125 CB GLU A 84 -13.362 -4.317 1.703 1.00 0.00 C ATOM 126 CG GLU A 84 -13.036 -5.428 2.702 1.00 0.00 C ATOM 127 CD GLU A 84 -11.598 -5.901 2.488 1.00 0.00 C ATOM 128 OE1 GLU A 84 -10.960 -5.399 1.579 1.00 0.00 O ATOM 129 OE2 GLU A 84 -11.160 -6.759 3.237 1.00 0.00 O ATOM 0 H GLU A 84 -14.784 -2.353 1.160 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.188 -3.054 3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.398 -4.400 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.738 -4.418 0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.162 -5.063 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.727 -6.261 2.574 1.00 0.00 H new ATOM 136 N ILE A 85 -11.621 -1.810 0.836 1.00 0.00 N ATOM 137 CA ILE A 85 -10.298 -1.288 0.401 1.00 0.00 C ATOM 138 C ILE A 85 -10.004 0.041 1.099 1.00 0.00 C ATOM 139 O ILE A 85 -8.881 0.323 1.464 1.00 0.00 O ATOM 140 CB ILE A 85 -10.309 -1.075 -1.115 1.00 0.00 C ATOM 141 CG1 ILE A 85 -10.603 -2.399 -1.814 1.00 0.00 C ATOM 142 CG2 ILE A 85 -8.947 -0.548 -1.570 1.00 0.00 C ATOM 143 CD1 ILE A 85 -11.901 -2.275 -2.613 1.00 0.00 C ATOM 0 H ILE A 85 -12.389 -1.638 0.187 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.525 -2.009 0.666 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.081 -0.350 -1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.779 -2.664 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.691 -3.199 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.957 -0.397 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.739 0.400 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.173 -1.270 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -12.112 -3.220 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.721 -2.030 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.796 -1.486 -3.358 1.00 0.00 H new ATOM 155 N ARG A 86 -10.999 0.865 1.284 1.00 0.00 N ATOM 156 CA ARG A 86 -10.759 2.173 1.956 1.00 0.00 C ATOM 157 C ARG A 86 -9.951 1.955 3.235 1.00 0.00 C ATOM 158 O ARG A 86 -9.071 2.727 3.562 1.00 0.00 O ATOM 159 CB ARG A 86 -12.098 2.825 2.303 1.00 0.00 C ATOM 160 CG ARG A 86 -12.049 4.309 1.938 1.00 0.00 C ATOM 161 CD ARG A 86 -13.464 4.888 1.954 1.00 0.00 C ATOM 162 NE ARG A 86 -13.835 5.256 3.349 1.00 0.00 N ATOM 163 CZ ARG A 86 -15.069 5.122 3.753 1.00 0.00 C ATOM 164 NH1 ARG A 86 -16.055 5.431 2.955 1.00 0.00 N ATOM 165 NH2 ARG A 86 -15.318 4.678 4.955 1.00 0.00 N ATOM 0 H ARG A 86 -11.963 0.690 1.000 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.201 2.825 1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.906 2.332 1.762 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.308 2.707 3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.417 4.847 2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.604 4.437 0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.517 5.765 1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.171 4.159 1.559 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.125 5.613 3.988 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.861 5.777 2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.019 5.326 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.548 4.436 5.579 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.282 4.573 5.270 1.00 0.00 H new ATOM 179 N GLU A 87 -10.240 0.913 3.966 1.00 0.00 N ATOM 180 CA GLU A 87 -9.483 0.660 5.223 1.00 0.00 C ATOM 181 C GLU A 87 -8.165 -0.042 4.903 1.00 0.00 C ATOM 182 O GLU A 87 -7.117 0.384 5.335 1.00 0.00 O ATOM 183 CB GLU A 87 -10.319 -0.209 6.168 1.00 0.00 C ATOM 184 CG GLU A 87 -10.628 -1.554 5.506 1.00 0.00 C ATOM 185 CD GLU A 87 -11.689 -2.292 6.322 1.00 0.00 C ATOM 186 OE1 GLU A 87 -11.317 -2.989 7.251 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.858 -2.145 6.005 1.00 0.00 O ATOM 0 H GLU A 87 -10.965 0.229 3.748 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.271 1.612 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.779 -0.369 7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.247 0.303 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.982 -1.397 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.721 -2.156 5.440 1.00 0.00 H new ATOM 194 N ALA A 88 -8.198 -1.107 4.147 1.00 0.00 N ATOM 195 CA ALA A 88 -6.928 -1.810 3.815 1.00 0.00 C ATOM 196 C ALA A 88 -5.878 -0.773 3.410 1.00 0.00 C ATOM 197 O ALA A 88 -4.692 -0.982 3.566 1.00 0.00 O ATOM 198 CB ALA A 88 -7.166 -2.782 2.657 1.00 0.00 C ATOM 0 H ALA A 88 -9.043 -1.517 3.749 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.578 -2.369 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.235 -3.295 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.920 -3.514 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.513 -2.230 1.784 1.00 0.00 H new ATOM 204 N PHE A 89 -6.309 0.344 2.896 1.00 0.00 N ATOM 205 CA PHE A 89 -5.347 1.396 2.486 1.00 0.00 C ATOM 206 C PHE A 89 -4.591 1.906 3.706 1.00 0.00 C ATOM 207 O PHE A 89 -3.379 1.876 3.761 1.00 0.00 O ATOM 208 CB PHE A 89 -6.103 2.560 1.855 1.00 0.00 C ATOM 209 CG PHE A 89 -5.115 3.640 1.506 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.288 3.478 0.394 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.019 4.794 2.292 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.362 4.470 0.057 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.092 5.790 1.957 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.263 5.628 0.839 1.00 0.00 C ATOM 0 H PHE A 89 -7.291 0.572 2.743 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.645 0.974 1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.632 2.228 0.962 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.854 2.943 2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.363 2.584 -0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.658 4.917 3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.724 4.344 -0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.016 6.682 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.548 6.395 0.580 1.00 0.00 H new ATOM 224 N ARG A 90 -5.304 2.381 4.683 1.00 0.00 N ATOM 225 CA ARG A 90 -4.641 2.902 5.905 1.00 0.00 C ATOM 226 C ARG A 90 -3.866 1.767 6.577 1.00 0.00 C ATOM 227 O ARG A 90 -2.833 1.981 7.180 1.00 0.00 O ATOM 228 CB ARG A 90 -5.708 3.435 6.858 1.00 0.00 C ATOM 229 CG ARG A 90 -5.481 4.926 7.098 1.00 0.00 C ATOM 230 CD ARG A 90 -6.397 5.405 8.224 1.00 0.00 C ATOM 231 NE ARG A 90 -6.511 4.339 9.259 1.00 0.00 N ATOM 232 CZ ARG A 90 -7.576 3.586 9.305 1.00 0.00 C ATOM 233 NH1 ARG A 90 -8.759 4.134 9.360 1.00 0.00 N ATOM 234 NH2 ARG A 90 -7.457 2.287 9.298 1.00 0.00 N ATOM 0 H ARG A 90 -6.323 2.431 4.688 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.951 3.705 5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.700 3.271 6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.669 2.894 7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.439 5.109 7.360 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.684 5.487 6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.998 6.317 8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.383 5.648 7.827 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.757 4.198 9.931 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.851 5.150 9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.592 3.546 9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.532 1.860 9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.289 1.698 9.334 1.00 0.00 H new ATOM 248 N VAL A 91 -4.351 0.559 6.467 1.00 0.00 N ATOM 249 CA VAL A 91 -3.637 -0.591 7.083 1.00 0.00 C ATOM 250 C VAL A 91 -2.149 -0.450 6.768 1.00 0.00 C ATOM 251 O VAL A 91 -1.295 -0.847 7.535 1.00 0.00 O ATOM 252 CB VAL A 91 -4.178 -1.895 6.495 1.00 0.00 C ATOM 253 CG1 VAL A 91 -3.286 -3.061 6.913 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.600 -2.132 7.010 1.00 0.00 C ATOM 0 H VAL A 91 -5.213 0.321 5.976 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.788 -0.605 8.162 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.188 -1.823 5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.676 -3.987 6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.273 -2.894 6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.271 -3.136 8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.988 -3.061 6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.586 -2.201 8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.240 -1.303 6.707 1.00 0.00 H new ATOM 264 N PHE A 92 -1.843 0.141 5.645 1.00 0.00 N ATOM 265 CA PHE A 92 -0.420 0.348 5.264 1.00 0.00 C ATOM 266 C PHE A 92 -0.035 1.787 5.604 1.00 0.00 C ATOM 267 O PHE A 92 1.076 2.073 6.004 1.00 0.00 O ATOM 268 CB PHE A 92 -0.260 0.121 3.761 1.00 0.00 C ATOM 269 CG PHE A 92 -0.483 -1.337 3.447 1.00 0.00 C ATOM 270 CD1 PHE A 92 0.574 -2.248 3.558 1.00 0.00 C ATOM 271 CD2 PHE A 92 -1.749 -1.781 3.049 1.00 0.00 C ATOM 272 CE1 PHE A 92 0.366 -3.602 3.270 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.959 -3.134 2.761 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.902 -4.045 2.871 1.00 0.00 C ATOM 0 H PHE A 92 -2.524 0.491 4.971 1.00 0.00 H new ATOM 0 HA PHE A 92 0.220 -0.350 5.803 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.973 0.736 3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.736 0.425 3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.551 -1.906 3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.565 -1.078 2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.182 -4.304 3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.937 -3.475 2.454 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.064 -5.089 2.648 1.00 0.00 H new ATOM 284 N ASP A 93 -0.958 2.697 5.444 1.00 0.00 N ATOM 285 CA ASP A 93 -0.677 4.124 5.750 1.00 0.00 C ATOM 286 C ASP A 93 -1.056 4.416 7.206 1.00 0.00 C ATOM 287 O ASP A 93 -2.210 4.626 7.524 1.00 0.00 O ATOM 288 CB ASP A 93 -1.516 4.995 4.818 1.00 0.00 C ATOM 289 CG ASP A 93 -0.990 6.430 4.844 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.887 6.985 5.926 1.00 0.00 O ATOM 291 OD2 ASP A 93 -0.697 6.951 3.780 1.00 0.00 O ATOM 0 H ASP A 93 -1.903 2.508 5.111 1.00 0.00 H new ATOM 0 HA ASP A 93 0.382 4.338 5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.477 4.601 3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.561 4.974 5.128 1.00 0.00 H new ATOM 296 N LYS A 94 -0.099 4.422 8.091 1.00 0.00 N ATOM 297 CA LYS A 94 -0.409 4.688 9.521 1.00 0.00 C ATOM 298 C LYS A 94 -0.318 6.182 9.812 1.00 0.00 C ATOM 299 O LYS A 94 -0.918 6.680 10.744 1.00 0.00 O ATOM 300 CB LYS A 94 0.583 3.940 10.404 1.00 0.00 C ATOM 301 CG LYS A 94 0.436 2.434 10.180 1.00 0.00 C ATOM 302 CD LYS A 94 -0.244 1.800 11.396 1.00 0.00 C ATOM 303 CE LYS A 94 0.809 1.468 12.454 1.00 0.00 C ATOM 304 NZ LYS A 94 0.862 2.563 13.465 1.00 0.00 N ATOM 0 H LYS A 94 0.886 4.254 7.884 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.422 4.346 9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.601 4.255 10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.406 4.181 11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.152 2.245 9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.415 1.982 10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.986 2.483 11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.774 0.895 11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.567 0.522 12.939 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.785 1.345 11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.256 2.195 14.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.465 3.333 13.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.098 2.925 13.635 1.00 0.00 H new ATOM 318 N ASP A 95 0.422 6.903 9.025 1.00 0.00 N ATOM 319 CA ASP A 95 0.543 8.365 9.264 1.00 0.00 C ATOM 320 C ASP A 95 -0.702 9.072 8.722 1.00 0.00 C ATOM 321 O ASP A 95 -0.799 10.282 8.756 1.00 0.00 O ATOM 322 CB ASP A 95 1.787 8.900 8.551 1.00 0.00 C ATOM 323 CG ASP A 95 2.897 9.139 9.577 1.00 0.00 C ATOM 324 OD1 ASP A 95 2.831 10.143 10.267 1.00 0.00 O ATOM 325 OD2 ASP A 95 3.792 8.315 9.656 1.00 0.00 O ATOM 0 H ASP A 95 0.948 6.546 8.228 1.00 0.00 H new ATOM 0 HA ASP A 95 0.632 8.553 10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.121 8.188 7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.551 9.829 8.031 1.00 0.00 H new ATOM 330 N GLY A 96 -1.659 8.321 8.232 1.00 0.00 N ATOM 331 CA GLY A 96 -2.907 8.942 7.693 1.00 0.00 C ATOM 332 C GLY A 96 -2.577 10.246 6.959 1.00 0.00 C ATOM 333 O GLY A 96 -3.361 11.175 6.946 1.00 0.00 O ATOM 0 H GLY A 96 -1.628 7.303 8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.402 8.249 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.603 9.141 8.507 1.00 0.00 H new ATOM 337 N ASN A 97 -1.423 10.329 6.352 1.00 0.00 N ATOM 338 CA ASN A 97 -1.053 11.579 5.629 1.00 0.00 C ATOM 339 C ASN A 97 -1.720 11.600 4.251 1.00 0.00 C ATOM 340 O ASN A 97 -1.932 12.646 3.670 1.00 0.00 O ATOM 341 CB ASN A 97 0.468 11.647 5.465 1.00 0.00 C ATOM 342 CG ASN A 97 0.916 10.651 4.394 1.00 0.00 C ATOM 343 OD1 ASN A 97 0.520 9.503 4.411 1.00 0.00 O ATOM 344 ND2 ASN A 97 1.735 11.045 3.457 1.00 0.00 N ATOM 0 H ASN A 97 -0.723 9.587 6.326 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.394 12.439 6.205 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.768 12.657 5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.956 11.421 6.413 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.042 10.389 2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.068 12.009 3.443 1.00 0.00 H new ATOM 351 N GLY A 98 -2.054 10.454 3.723 1.00 0.00 N ATOM 352 CA GLY A 98 -2.708 10.413 2.383 1.00 0.00 C ATOM 353 C GLY A 98 -1.926 9.477 1.462 1.00 0.00 C ATOM 354 O GLY A 98 -2.492 8.673 0.749 1.00 0.00 O ATOM 0 H GLY A 98 -1.903 9.545 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.738 10.069 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.746 11.414 1.954 1.00 0.00 H new ATOM 358 N TYR A 99 -0.628 9.584 1.470 1.00 0.00 N ATOM 359 CA TYR A 99 0.205 8.716 0.597 1.00 0.00 C ATOM 360 C TYR A 99 0.978 7.714 1.456 1.00 0.00 C ATOM 361 O TYR A 99 1.398 8.013 2.558 1.00 0.00 O ATOM 362 CB TYR A 99 1.196 9.585 -0.169 1.00 0.00 C ATOM 363 CG TYR A 99 0.484 10.249 -1.317 1.00 0.00 C ATOM 364 CD1 TYR A 99 0.425 9.612 -2.558 1.00 0.00 C ATOM 365 CD2 TYR A 99 -0.117 11.501 -1.141 1.00 0.00 C ATOM 366 CE1 TYR A 99 -0.233 10.225 -3.629 1.00 0.00 C ATOM 367 CE2 TYR A 99 -0.776 12.115 -2.209 1.00 0.00 C ATOM 368 CZ TYR A 99 -0.835 11.478 -3.454 1.00 0.00 C ATOM 369 OH TYR A 99 -1.485 12.084 -4.509 1.00 0.00 O ATOM 0 H TYR A 99 -0.105 10.241 2.049 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.437 8.178 -0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.626 10.337 0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.021 8.977 -0.539 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.888 8.645 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.071 11.992 -0.180 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.277 9.733 -4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -1.240 13.081 -2.074 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.847 12.947 -4.218 1.00 0.00 H new ATOM 379 N ILE A 100 1.169 6.529 0.957 1.00 0.00 N ATOM 380 CA ILE A 100 1.911 5.495 1.721 1.00 0.00 C ATOM 381 C ILE A 100 3.401 5.582 1.382 1.00 0.00 C ATOM 382 O ILE A 100 3.862 5.004 0.418 1.00 0.00 O ATOM 383 CB ILE A 100 1.376 4.125 1.317 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.029 3.944 1.908 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.306 3.034 1.852 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.704 2.720 1.292 1.00 0.00 C ATOM 0 H ILE A 100 0.838 6.229 0.040 1.00 0.00 H new ATOM 0 HA ILE A 100 1.780 5.650 2.792 1.00 0.00 H new ATOM 0 HB ILE A 100 1.329 4.052 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.035 3.828 2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.629 4.834 1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.923 2.055 1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.304 3.170 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.354 3.098 2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.700 2.601 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.784 2.853 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.110 1.831 1.504 1.00 0.00 H new ATOM 398 N SER A 101 4.160 6.298 2.165 1.00 0.00 N ATOM 399 CA SER A 101 5.616 6.413 1.880 1.00 0.00 C ATOM 400 C SER A 101 6.276 5.048 2.075 1.00 0.00 C ATOM 401 O SER A 101 5.753 4.187 2.755 1.00 0.00 O ATOM 402 CB SER A 101 6.245 7.427 2.836 1.00 0.00 C ATOM 403 OG SER A 101 6.732 6.750 3.986 1.00 0.00 O ATOM 0 H SER A 101 3.835 6.807 2.987 1.00 0.00 H new ATOM 0 HA SER A 101 5.763 6.747 0.853 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.059 7.956 2.340 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.508 8.176 3.126 1.00 0.00 H new ATOM 0 HG SER A 101 7.137 7.398 4.600 1.00 0.00 H new ATOM 409 N ALA A 102 7.418 4.837 1.482 1.00 0.00 N ATOM 410 CA ALA A 102 8.102 3.524 1.638 1.00 0.00 C ATOM 411 C ALA A 102 8.075 3.113 3.110 1.00 0.00 C ATOM 412 O ALA A 102 7.833 1.969 3.442 1.00 0.00 O ATOM 413 CB ALA A 102 9.552 3.641 1.162 1.00 0.00 C ATOM 0 H ALA A 102 7.906 5.516 0.897 1.00 0.00 H new ATOM 0 HA ALA A 102 7.588 2.771 1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.051 2.679 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.568 3.935 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.071 4.392 1.757 1.00 0.00 H new ATOM 419 N ALA A 103 8.321 4.035 3.995 1.00 0.00 N ATOM 420 CA ALA A 103 8.307 3.699 5.442 1.00 0.00 C ATOM 421 C ALA A 103 6.914 3.206 5.833 1.00 0.00 C ATOM 422 O ALA A 103 6.766 2.237 6.553 1.00 0.00 O ATOM 423 CB ALA A 103 8.658 4.943 6.260 1.00 0.00 C ATOM 0 H ALA A 103 8.532 5.009 3.778 1.00 0.00 H new ATOM 0 HA ALA A 103 9.040 2.918 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.647 4.695 7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.651 5.295 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.926 5.726 6.063 1.00 0.00 H new ATOM 429 N GLU A 104 5.889 3.863 5.363 1.00 0.00 N ATOM 430 CA GLU A 104 4.508 3.430 5.706 1.00 0.00 C ATOM 431 C GLU A 104 4.255 2.041 5.116 1.00 0.00 C ATOM 432 O GLU A 104 3.422 1.296 5.594 1.00 0.00 O ATOM 433 CB GLU A 104 3.503 4.427 5.127 1.00 0.00 C ATOM 434 CG GLU A 104 3.848 5.834 5.617 1.00 0.00 C ATOM 435 CD GLU A 104 2.847 6.261 6.692 1.00 0.00 C ATOM 436 OE1 GLU A 104 1.777 6.720 6.327 1.00 0.00 O ATOM 437 OE2 GLU A 104 3.168 6.124 7.860 1.00 0.00 O ATOM 0 H GLU A 104 5.950 4.681 4.756 1.00 0.00 H new ATOM 0 HA GLU A 104 4.393 3.392 6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.526 4.393 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.491 4.161 5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.860 5.852 6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.825 6.536 4.784 1.00 0.00 H new ATOM 444 N LEU A 105 4.972 1.684 4.085 1.00 0.00 N ATOM 445 CA LEU A 105 4.776 0.340 3.473 1.00 0.00 C ATOM 446 C LEU A 105 5.688 -0.672 4.170 1.00 0.00 C ATOM 447 O LEU A 105 5.501 -1.868 4.065 1.00 0.00 O ATOM 448 CB LEU A 105 5.121 0.405 1.982 1.00 0.00 C ATOM 449 CG LEU A 105 5.052 -0.999 1.380 1.00 0.00 C ATOM 450 CD1 LEU A 105 3.680 -1.613 1.671 1.00 0.00 C ATOM 451 CD2 LEU A 105 5.257 -0.912 -0.133 1.00 0.00 C ATOM 0 H LEU A 105 5.684 2.264 3.641 1.00 0.00 H new ATOM 0 HA LEU A 105 3.737 0.031 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.427 1.068 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.119 0.821 1.847 1.00 0.00 H new ATOM 0 HG LEU A 105 5.830 -1.622 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.631 -2.614 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.529 -1.673 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.902 -0.990 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.208 -1.912 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.477 -0.289 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.232 -0.473 -0.343 1.00 0.00 H new ATOM 463 N ARG A 106 6.676 -0.199 4.882 1.00 0.00 N ATOM 464 CA ARG A 106 7.602 -1.128 5.588 1.00 0.00 C ATOM 465 C ARG A 106 6.987 -1.543 6.927 1.00 0.00 C ATOM 466 O ARG A 106 7.154 -2.656 7.381 1.00 0.00 O ATOM 467 CB ARG A 106 8.932 -0.411 5.836 1.00 0.00 C ATOM 468 CG ARG A 106 9.769 -1.196 6.848 1.00 0.00 C ATOM 469 CD ARG A 106 10.973 -0.352 7.270 1.00 0.00 C ATOM 470 NE ARG A 106 11.224 -0.535 8.728 1.00 0.00 N ATOM 471 CZ ARG A 106 10.999 0.448 9.556 1.00 0.00 C ATOM 472 NH1 ARG A 106 9.772 0.811 9.820 1.00 0.00 N ATOM 473 NH2 ARG A 106 11.997 1.069 10.119 1.00 0.00 N ATOM 0 H ARG A 106 6.881 0.793 5.005 1.00 0.00 H new ATOM 0 HA ARG A 106 7.770 -2.016 4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.480 -0.310 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.747 0.597 6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.164 -1.449 7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.105 -2.136 6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.854 -0.646 6.699 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.787 0.700 7.052 1.00 0.00 H new ATOM 0 HE ARG A 106 11.571 -1.428 9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.991 0.326 9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.596 1.579 10.467 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.955 0.787 9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.820 1.837 10.766 1.00 0.00 H new ATOM 487 N HIS A 107 6.285 -0.649 7.562 1.00 0.00 N ATOM 488 CA HIS A 107 5.663 -0.971 8.879 1.00 0.00 C ATOM 489 C HIS A 107 5.045 -2.374 8.857 1.00 0.00 C ATOM 490 O HIS A 107 5.267 -3.170 9.747 1.00 0.00 O ATOM 491 CB HIS A 107 4.573 0.061 9.184 1.00 0.00 C ATOM 492 CG HIS A 107 3.739 -0.407 10.345 1.00 0.00 C ATOM 493 ND1 HIS A 107 4.300 -0.797 11.551 1.00 0.00 N ATOM 494 CD2 HIS A 107 2.382 -0.555 10.499 1.00 0.00 C ATOM 495 CE1 HIS A 107 3.295 -1.155 12.369 1.00 0.00 C ATOM 496 NE2 HIS A 107 2.104 -1.028 11.778 1.00 0.00 N ATOM 0 H HIS A 107 6.113 0.298 7.225 1.00 0.00 H new ATOM 0 HA HIS A 107 6.433 -0.943 9.650 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.026 1.025 9.415 1.00 0.00 H new ATOM 0 HB3 HIS A 107 3.942 0.208 8.307 1.00 0.00 H new ATOM 0 HD1 HIS A 107 5.295 -0.810 11.777 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.643 -0.337 9.742 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.434 -1.503 13.382 1.00 0.00 H new ATOM 504 N VAL A 108 4.252 -2.678 7.866 1.00 0.00 N ATOM 505 CA VAL A 108 3.607 -4.022 7.819 1.00 0.00 C ATOM 506 C VAL A 108 4.420 -4.982 6.950 1.00 0.00 C ATOM 507 O VAL A 108 4.348 -6.185 7.109 1.00 0.00 O ATOM 508 CB VAL A 108 2.200 -3.881 7.241 1.00 0.00 C ATOM 509 CG1 VAL A 108 1.494 -5.238 7.276 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.408 -2.872 8.076 1.00 0.00 C ATOM 0 H VAL A 108 4.023 -2.057 7.090 1.00 0.00 H new ATOM 0 HA VAL A 108 3.559 -4.426 8.830 1.00 0.00 H new ATOM 0 HB VAL A 108 2.263 -3.533 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.490 -5.137 6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.059 -5.957 6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.429 -5.588 8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.403 -2.769 7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.345 -3.222 9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.911 -1.905 8.051 1.00 0.00 H new ATOM 520 N MET A 109 5.182 -4.472 6.029 1.00 0.00 N ATOM 521 CA MET A 109 5.986 -5.372 5.152 1.00 0.00 C ATOM 522 C MET A 109 7.018 -6.129 5.994 1.00 0.00 C ATOM 523 O MET A 109 7.483 -7.185 5.616 1.00 0.00 O ATOM 524 CB MET A 109 6.703 -4.544 4.086 1.00 0.00 C ATOM 525 CG MET A 109 5.803 -4.404 2.856 1.00 0.00 C ATOM 526 SD MET A 109 5.884 -5.922 1.873 1.00 0.00 S ATOM 527 CE MET A 109 4.420 -6.725 2.573 1.00 0.00 C ATOM 0 H MET A 109 5.286 -3.475 5.843 1.00 0.00 H new ATOM 0 HA MET A 109 5.322 -6.088 4.668 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.951 -3.559 4.482 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.642 -5.023 3.810 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.775 -4.212 3.164 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.120 -3.552 2.255 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.728 -7.574 3.183 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.875 -6.012 3.191 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.775 -7.073 1.766 1.00 0.00 H new ATOM 537 N THR A 110 7.382 -5.600 7.131 1.00 0.00 N ATOM 538 CA THR A 110 8.386 -6.297 7.986 1.00 0.00 C ATOM 539 C THR A 110 7.696 -7.387 8.813 1.00 0.00 C ATOM 540 O THR A 110 8.285 -8.402 9.127 1.00 0.00 O ATOM 541 CB THR A 110 9.051 -5.290 8.926 1.00 0.00 C ATOM 542 OG1 THR A 110 9.716 -5.985 9.970 1.00 0.00 O ATOM 543 CG2 THR A 110 7.986 -4.374 9.518 1.00 0.00 C ATOM 0 H THR A 110 7.029 -4.719 7.504 1.00 0.00 H new ATOM 0 HA THR A 110 9.143 -6.752 7.347 1.00 0.00 H new ATOM 0 HB THR A 110 9.776 -4.694 8.371 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.144 -5.340 10.572 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.456 -3.655 10.189 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.477 -3.842 8.715 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.262 -4.970 10.075 1.00 0.00 H new ATOM 551 N ASN A 111 6.456 -7.187 9.168 1.00 0.00 N ATOM 552 CA ASN A 111 5.739 -8.217 9.974 1.00 0.00 C ATOM 553 C ASN A 111 5.763 -9.554 9.230 1.00 0.00 C ATOM 554 O ASN A 111 4.907 -9.837 8.415 1.00 0.00 O ATOM 555 CB ASN A 111 4.289 -7.778 10.192 1.00 0.00 C ATOM 556 CG ASN A 111 3.526 -8.883 10.924 1.00 0.00 C ATOM 557 OD1 ASN A 111 3.010 -9.792 10.307 1.00 0.00 O ATOM 558 ND2 ASN A 111 3.433 -8.843 12.226 1.00 0.00 N ATOM 0 H ASN A 111 5.909 -6.358 8.936 1.00 0.00 H new ATOM 0 HA ASN A 111 6.232 -8.330 10.940 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.260 -6.856 10.772 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.814 -7.567 9.234 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.927 -9.575 12.724 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.866 -8.079 12.745 1.00 0.00 H new ATOM 565 N LEU A 112 6.737 -10.379 9.503 1.00 0.00 N ATOM 566 CA LEU A 112 6.816 -11.697 8.809 1.00 0.00 C ATOM 567 C LEU A 112 6.857 -11.475 7.295 1.00 0.00 C ATOM 568 O LEU A 112 6.493 -12.339 6.522 1.00 0.00 O ATOM 569 CB LEU A 112 5.590 -12.541 9.168 1.00 0.00 C ATOM 570 CG LEU A 112 5.143 -12.214 10.592 1.00 0.00 C ATOM 571 CD1 LEU A 112 4.010 -13.157 11.003 1.00 0.00 C ATOM 572 CD2 LEU A 112 6.325 -12.392 11.549 1.00 0.00 C ATOM 0 H LEU A 112 7.481 -10.198 10.176 1.00 0.00 H new ATOM 0 HA LEU A 112 7.719 -12.219 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.780 -12.341 8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.829 -13.601 9.085 1.00 0.00 H new ATOM 0 HG LEU A 112 4.790 -11.184 10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.692 -12.923 12.019 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.168 -13.033 10.322 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.362 -14.188 10.962 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.008 -12.159 12.566 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.676 -13.423 11.505 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.133 -11.721 11.258 1.00 0.00 H new ATOM 584 N GLY A 113 7.296 -10.323 6.866 1.00 0.00 N ATOM 585 CA GLY A 113 7.358 -10.047 5.403 1.00 0.00 C ATOM 586 C GLY A 113 8.810 -9.808 4.987 1.00 0.00 C ATOM 587 O GLY A 113 9.131 -8.817 4.360 1.00 0.00 O ATOM 0 H GLY A 113 7.614 -9.562 7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.943 -10.887 4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.752 -9.174 5.161 1.00 0.00 H new ATOM 591 N GLU A 114 9.692 -10.704 5.333 1.00 0.00 N ATOM 592 CA GLU A 114 11.122 -10.525 4.958 1.00 0.00 C ATOM 593 C GLU A 114 11.630 -9.198 5.519 1.00 0.00 C ATOM 594 O GLU A 114 10.900 -8.453 6.143 1.00 0.00 O ATOM 595 CB GLU A 114 11.257 -10.512 3.433 1.00 0.00 C ATOM 596 CG GLU A 114 10.975 -11.910 2.880 1.00 0.00 C ATOM 597 CD GLU A 114 10.057 -11.800 1.660 1.00 0.00 C ATOM 598 OE1 GLU A 114 9.152 -10.982 1.696 1.00 0.00 O ATOM 599 OE2 GLU A 114 10.277 -12.535 0.711 1.00 0.00 O ATOM 0 H GLU A 114 9.484 -11.553 5.859 1.00 0.00 H new ATOM 0 HA GLU A 114 11.708 -11.348 5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.561 -9.793 3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 114 12.260 -10.193 3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 114 11.909 -12.398 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.507 -12.528 3.646 1.00 0.00 H new ATOM 606 N LYS A 115 12.878 -8.896 5.299 1.00 0.00 N ATOM 607 CA LYS A 115 13.440 -7.616 5.812 1.00 0.00 C ATOM 608 C LYS A 115 13.785 -6.708 4.630 1.00 0.00 C ATOM 609 O LYS A 115 14.927 -6.610 4.228 1.00 0.00 O ATOM 610 CB LYS A 115 14.708 -7.906 6.619 1.00 0.00 C ATOM 611 CG LYS A 115 14.370 -7.946 8.111 1.00 0.00 C ATOM 612 CD LYS A 115 15.458 -8.716 8.864 1.00 0.00 C ATOM 613 CE LYS A 115 15.112 -10.207 8.878 1.00 0.00 C ATOM 614 NZ LYS A 115 15.981 -10.929 7.907 1.00 0.00 N ATOM 0 H LYS A 115 13.535 -9.482 4.784 1.00 0.00 H new ATOM 0 HA LYS A 115 12.707 -7.123 6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 115 15.139 -8.858 6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.457 -7.138 6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.290 -6.932 8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.402 -8.423 8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.425 -8.561 8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.543 -8.342 9.884 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.252 -10.614 9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.063 -10.350 8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.054 -11.929 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.568 -10.862 6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.929 -10.501 7.904 1.00 0.00 H new ATOM 628 N LEU A 116 12.810 -6.045 4.065 1.00 0.00 N ATOM 629 CA LEU A 116 13.102 -5.152 2.908 1.00 0.00 C ATOM 630 C LEU A 116 13.322 -3.723 3.412 1.00 0.00 C ATOM 631 O LEU A 116 12.567 -3.212 4.215 1.00 0.00 O ATOM 632 CB LEU A 116 11.940 -5.212 1.892 1.00 0.00 C ATOM 633 CG LEU A 116 10.891 -4.123 2.160 1.00 0.00 C ATOM 634 CD1 LEU A 116 10.033 -3.936 0.906 1.00 0.00 C ATOM 635 CD2 LEU A 116 10.002 -4.547 3.329 1.00 0.00 C ATOM 0 H LEU A 116 11.832 -6.083 4.353 1.00 0.00 H new ATOM 0 HA LEU A 116 14.009 -5.485 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 116 12.334 -5.097 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.466 -6.193 1.939 1.00 0.00 H new ATOM 0 HG LEU A 116 11.389 -3.186 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.285 -3.164 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.668 -3.637 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.534 -4.874 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.258 -3.774 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.499 -5.482 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.615 -4.688 4.220 1.00 0.00 H new ATOM 647 N THR A 117 14.350 -3.076 2.941 1.00 0.00 N ATOM 648 CA THR A 117 14.620 -1.682 3.385 1.00 0.00 C ATOM 649 C THR A 117 13.941 -0.705 2.421 1.00 0.00 C ATOM 650 O THR A 117 12.886 -0.980 1.887 1.00 0.00 O ATOM 651 CB THR A 117 16.134 -1.441 3.410 1.00 0.00 C ATOM 652 OG1 THR A 117 16.419 -0.289 4.191 1.00 0.00 O ATOM 653 CG2 THR A 117 16.642 -1.233 1.986 1.00 0.00 C ATOM 0 H THR A 117 15.016 -3.453 2.267 1.00 0.00 H new ATOM 0 HA THR A 117 14.221 -1.526 4.387 1.00 0.00 H new ATOM 0 HB THR A 117 16.631 -2.306 3.848 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.024 0.301 3.695 1.00 0.00 H new ATOM 0 HG21 THR A 117 17.718 -1.062 2.005 1.00 0.00 H new ATOM 0 HG22 THR A 117 16.426 -2.119 1.390 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.145 -0.369 1.545 1.00 0.00 H new ATOM 661 N ASP A 118 14.537 0.429 2.193 1.00 0.00 N ATOM 662 CA ASP A 118 13.926 1.418 1.264 1.00 0.00 C ATOM 663 C ASP A 118 14.196 0.997 -0.182 1.00 0.00 C ATOM 664 O ASP A 118 13.305 0.960 -1.006 1.00 0.00 O ATOM 665 CB ASP A 118 14.539 2.792 1.515 1.00 0.00 C ATOM 666 CG ASP A 118 13.718 3.536 2.571 1.00 0.00 C ATOM 667 OD1 ASP A 118 13.128 2.874 3.410 1.00 0.00 O ATOM 668 OD2 ASP A 118 13.694 4.754 2.523 1.00 0.00 O ATOM 0 H ASP A 118 15.423 0.715 2.610 1.00 0.00 H new ATOM 0 HA ASP A 118 12.850 1.460 1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.571 2.685 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.563 3.365 0.588 1.00 0.00 H new ATOM 673 N GLU A 119 15.423 0.681 -0.495 1.00 0.00 N ATOM 674 CA GLU A 119 15.759 0.265 -1.887 1.00 0.00 C ATOM 675 C GLU A 119 14.860 -0.896 -2.309 1.00 0.00 C ATOM 676 O GLU A 119 14.611 -1.110 -3.479 1.00 0.00 O ATOM 677 CB GLU A 119 17.225 -0.172 -1.952 1.00 0.00 C ATOM 678 CG GLU A 119 18.109 1.046 -2.230 1.00 0.00 C ATOM 679 CD GLU A 119 19.544 0.588 -2.496 1.00 0.00 C ATOM 680 OE1 GLU A 119 20.214 0.224 -1.545 1.00 0.00 O ATOM 681 OE2 GLU A 119 19.948 0.611 -3.647 1.00 0.00 O ATOM 0 H GLU A 119 16.209 0.693 0.155 1.00 0.00 H new ATOM 0 HA GLU A 119 15.601 1.106 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.518 -0.640 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.359 -0.918 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.727 1.597 -3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 119 18.086 1.727 -1.379 1.00 0.00 H new ATOM 688 N GLU A 120 14.367 -1.639 -1.365 1.00 0.00 N ATOM 689 CA GLU A 120 13.479 -2.781 -1.693 1.00 0.00 C ATOM 690 C GLU A 120 12.046 -2.275 -1.792 1.00 0.00 C ATOM 691 O GLU A 120 11.328 -2.569 -2.725 1.00 0.00 O ATOM 692 CB GLU A 120 13.568 -3.797 -0.568 1.00 0.00 C ATOM 693 CG GLU A 120 15.010 -3.898 -0.086 1.00 0.00 C ATOM 694 CD GLU A 120 15.933 -4.161 -1.277 1.00 0.00 C ATOM 695 OE1 GLU A 120 15.564 -4.961 -2.121 1.00 0.00 O ATOM 696 OE2 GLU A 120 16.993 -3.559 -1.324 1.00 0.00 O ATOM 0 H GLU A 120 14.543 -1.502 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 120 13.778 -3.237 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.918 -3.501 0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.220 -4.770 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 120 15.302 -2.975 0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 120 15.104 -4.702 0.644 1.00 0.00 H new ATOM 703 N VAL A 121 11.630 -1.515 -0.822 1.00 0.00 N ATOM 704 CA VAL A 121 10.242 -0.972 -0.835 1.00 0.00 C ATOM 705 C VAL A 121 9.998 -0.218 -2.147 1.00 0.00 C ATOM 706 O VAL A 121 8.879 -0.092 -2.602 1.00 0.00 O ATOM 707 CB VAL A 121 10.060 -0.010 0.342 1.00 0.00 C ATOM 708 CG1 VAL A 121 8.652 0.587 0.304 1.00 0.00 C ATOM 709 CG2 VAL A 121 10.253 -0.769 1.655 1.00 0.00 C ATOM 0 H VAL A 121 12.193 -1.244 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 121 9.532 -1.794 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 121 10.796 0.791 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.524 1.272 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.512 1.129 -0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.915 -0.213 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.124 -0.085 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.517 -1.570 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.256 -1.194 1.685 1.00 0.00 H new ATOM 719 N ASP A 122 11.036 0.291 -2.756 1.00 0.00 N ATOM 720 CA ASP A 122 10.863 1.039 -4.031 1.00 0.00 C ATOM 721 C ASP A 122 10.434 0.075 -5.135 1.00 0.00 C ATOM 722 O ASP A 122 9.665 0.420 -6.005 1.00 0.00 O ATOM 723 CB ASP A 122 12.183 1.709 -4.419 1.00 0.00 C ATOM 724 CG ASP A 122 12.477 2.859 -3.454 1.00 0.00 C ATOM 725 OD1 ASP A 122 11.703 3.043 -2.528 1.00 0.00 O ATOM 726 OD2 ASP A 122 13.471 3.537 -3.656 1.00 0.00 O ATOM 0 H ASP A 122 11.997 0.220 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 122 10.097 1.803 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.994 0.981 -4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.126 2.084 -5.441 1.00 0.00 H new ATOM 731 N GLU A 123 10.917 -1.134 -5.109 1.00 0.00 N ATOM 732 CA GLU A 123 10.516 -2.113 -6.156 1.00 0.00 C ATOM 733 C GLU A 123 9.141 -2.679 -5.794 1.00 0.00 C ATOM 734 O GLU A 123 8.436 -3.216 -6.625 1.00 0.00 O ATOM 735 CB GLU A 123 11.539 -3.250 -6.224 1.00 0.00 C ATOM 736 CG GLU A 123 12.857 -2.718 -6.794 1.00 0.00 C ATOM 737 CD GLU A 123 12.630 -2.205 -8.217 1.00 0.00 C ATOM 738 OE1 GLU A 123 12.354 -3.020 -9.082 1.00 0.00 O ATOM 739 OE2 GLU A 123 12.739 -1.007 -8.419 1.00 0.00 O ATOM 0 H GLU A 123 11.571 -1.487 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 123 10.474 -1.620 -7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.702 -3.666 -5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.160 -4.058 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.240 -1.915 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.609 -3.507 -6.797 1.00 0.00 H new ATOM 746 N MET A 124 8.756 -2.549 -4.553 1.00 0.00 N ATOM 747 CA MET A 124 7.426 -3.062 -4.119 1.00 0.00 C ATOM 748 C MET A 124 6.382 -1.962 -4.320 1.00 0.00 C ATOM 749 O MET A 124 5.197 -2.218 -4.399 1.00 0.00 O ATOM 750 CB MET A 124 7.491 -3.448 -2.643 1.00 0.00 C ATOM 751 CG MET A 124 8.355 -4.700 -2.479 1.00 0.00 C ATOM 752 SD MET A 124 7.638 -6.054 -3.442 1.00 0.00 S ATOM 753 CE MET A 124 9.197 -6.799 -3.978 1.00 0.00 C ATOM 0 H MET A 124 9.309 -2.107 -3.818 1.00 0.00 H new ATOM 0 HA MET A 124 7.153 -3.938 -4.707 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.908 -2.627 -2.060 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.487 -3.633 -2.260 1.00 0.00 H new ATOM 0 HG2 MET A 124 9.373 -4.500 -2.814 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.415 -4.979 -1.427 1.00 0.00 H new ATOM 0 HE1 MET A 124 8.989 -7.671 -4.599 1.00 0.00 H new ATOM 0 HE2 MET A 124 9.769 -6.071 -4.554 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.773 -7.105 -3.105 1.00 0.00 H new ATOM 763 N ILE A 125 6.822 -0.736 -4.399 1.00 0.00 N ATOM 764 CA ILE A 125 5.882 0.398 -4.590 1.00 0.00 C ATOM 765 C ILE A 125 5.727 0.695 -6.086 1.00 0.00 C ATOM 766 O ILE A 125 4.640 0.894 -6.588 1.00 0.00 O ATOM 767 CB ILE A 125 6.445 1.634 -3.880 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.270 1.475 -2.369 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.694 2.883 -4.350 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.557 2.810 -1.678 1.00 0.00 C ATOM 0 H ILE A 125 7.805 -0.472 -4.338 1.00 0.00 H new ATOM 0 HA ILE A 125 4.908 0.141 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 125 7.504 1.737 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.256 1.147 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.945 0.706 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.096 3.761 -3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.816 2.997 -5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.635 2.781 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.432 2.697 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.580 3.119 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.864 3.567 -2.046 1.00 0.00 H new ATOM 782 N ARG A 126 6.821 0.738 -6.787 1.00 0.00 N ATOM 783 CA ARG A 126 6.790 1.036 -8.248 1.00 0.00 C ATOM 784 C ARG A 126 5.660 0.263 -8.935 1.00 0.00 C ATOM 785 O ARG A 126 5.156 0.673 -9.961 1.00 0.00 O ATOM 786 CB ARG A 126 8.127 0.623 -8.869 1.00 0.00 C ATOM 787 CG ARG A 126 8.963 1.869 -9.171 1.00 0.00 C ATOM 788 CD ARG A 126 9.594 1.734 -10.559 1.00 0.00 C ATOM 789 NE ARG A 126 11.006 1.280 -10.421 1.00 0.00 N ATOM 790 CZ ARG A 126 11.686 0.934 -11.478 1.00 0.00 C ATOM 791 NH1 ARG A 126 11.165 0.116 -12.350 1.00 0.00 N ATOM 792 NH2 ARG A 126 12.886 1.409 -11.667 1.00 0.00 N ATOM 0 H ARG A 126 7.753 0.577 -6.405 1.00 0.00 H new ATOM 0 HA ARG A 126 6.619 2.104 -8.386 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.668 -0.033 -8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.954 0.058 -9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.336 2.760 -9.130 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.740 1.991 -8.416 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.029 1.021 -11.159 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.558 2.690 -11.081 1.00 0.00 H new ATOM 0 HE ARG A 126 11.441 1.240 -9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.225 -0.253 -12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.697 -0.155 -13.177 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.293 2.052 -10.987 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.417 1.138 -12.494 1.00 0.00 H new ATOM 806 N GLU A 127 5.262 -0.853 -8.391 1.00 0.00 N ATOM 807 CA GLU A 127 4.174 -1.641 -9.035 1.00 0.00 C ATOM 808 C GLU A 127 2.819 -1.197 -8.484 1.00 0.00 C ATOM 809 O GLU A 127 1.836 -1.138 -9.195 1.00 0.00 O ATOM 810 CB GLU A 127 4.381 -3.127 -8.741 1.00 0.00 C ATOM 811 CG GLU A 127 5.877 -3.451 -8.781 1.00 0.00 C ATOM 812 CD GLU A 127 6.081 -4.838 -9.393 1.00 0.00 C ATOM 813 OE1 GLU A 127 5.194 -5.663 -9.250 1.00 0.00 O ATOM 814 OE2 GLU A 127 7.122 -5.052 -9.993 1.00 0.00 O ATOM 0 H GLU A 127 5.641 -1.252 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 127 4.197 -1.474 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.970 -3.376 -7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.847 -3.732 -9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.407 -2.701 -9.368 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.294 -3.421 -7.774 1.00 0.00 H new ATOM 821 N ALA A 128 2.759 -0.889 -7.221 1.00 0.00 N ATOM 822 CA ALA A 128 1.468 -0.454 -6.619 1.00 0.00 C ATOM 823 C ALA A 128 1.214 1.020 -6.943 1.00 0.00 C ATOM 824 O ALA A 128 0.181 1.566 -6.615 1.00 0.00 O ATOM 825 CB ALA A 128 1.543 -0.633 -5.105 1.00 0.00 C ATOM 0 H ALA A 128 3.549 -0.919 -6.577 1.00 0.00 H new ATOM 0 HA ALA A 128 0.655 -1.055 -7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.602 -0.317 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.723 -1.682 -4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.357 -0.028 -4.707 1.00 0.00 H new ATOM 831 N ASP A 129 2.149 1.669 -7.581 1.00 0.00 N ATOM 832 CA ASP A 129 1.957 3.107 -7.917 1.00 0.00 C ATOM 833 C ASP A 129 1.446 3.233 -9.358 1.00 0.00 C ATOM 834 O ASP A 129 1.314 2.257 -10.069 1.00 0.00 O ATOM 835 CB ASP A 129 3.295 3.854 -7.736 1.00 0.00 C ATOM 836 CG ASP A 129 4.000 4.064 -9.084 1.00 0.00 C ATOM 837 OD1 ASP A 129 3.558 4.922 -9.832 1.00 0.00 O ATOM 838 OD2 ASP A 129 4.965 3.367 -9.342 1.00 0.00 O ATOM 0 H ASP A 129 3.036 1.266 -7.883 1.00 0.00 H new ATOM 0 HA ASP A 129 1.217 3.553 -7.252 1.00 0.00 H new ATOM 0 HB2 ASP A 129 3.115 4.819 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 129 3.943 3.287 -7.068 1.00 0.00 H new ATOM 843 N ILE A 130 1.163 4.431 -9.790 1.00 0.00 N ATOM 844 CA ILE A 130 0.667 4.624 -11.178 1.00 0.00 C ATOM 845 C ILE A 130 1.796 4.347 -12.163 1.00 0.00 C ATOM 846 O ILE A 130 1.775 3.378 -12.894 1.00 0.00 O ATOM 847 CB ILE A 130 0.183 6.064 -11.351 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.011 6.312 -10.427 1.00 0.00 C ATOM 849 CG2 ILE A 130 -0.241 6.290 -12.804 1.00 0.00 C ATOM 850 CD1 ILE A 130 -0.754 7.564 -9.586 1.00 0.00 C ATOM 0 H ILE A 130 1.255 5.285 -9.239 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.158 3.938 -11.368 1.00 0.00 H new ATOM 0 HB ILE A 130 0.990 6.752 -11.098 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.920 6.437 -11.015 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -1.167 5.451 -9.778 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.586 7.317 -12.927 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.609 6.111 -13.463 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -1.048 5.603 -13.059 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -1.604 7.741 -8.928 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.145 7.422 -8.987 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -0.619 8.423 -10.244 1.00 0.00 H new ATOM 862 N ASP A 131 2.779 5.197 -12.192 1.00 0.00 N ATOM 863 CA ASP A 131 3.910 4.989 -13.135 1.00 0.00 C ATOM 864 C ASP A 131 4.954 6.102 -12.977 1.00 0.00 C ATOM 865 O ASP A 131 5.602 6.489 -13.930 1.00 0.00 O ATOM 866 CB ASP A 131 3.360 4.991 -14.563 1.00 0.00 C ATOM 867 CG ASP A 131 3.109 6.428 -15.028 1.00 0.00 C ATOM 868 OD1 ASP A 131 2.243 7.072 -14.457 1.00 0.00 O ATOM 869 OD2 ASP A 131 3.785 6.859 -15.947 1.00 0.00 O ATOM 0 H ASP A 131 2.850 6.027 -11.604 1.00 0.00 H new ATOM 0 HA ASP A 131 4.393 4.036 -12.919 1.00 0.00 H new ATOM 0 HB2 ASP A 131 4.066 4.502 -15.234 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.433 4.420 -14.605 1.00 0.00 H new ATOM 874 N GLY A 132 5.134 6.616 -11.790 1.00 0.00 N ATOM 875 CA GLY A 132 6.148 7.693 -11.603 1.00 0.00 C ATOM 876 C GLY A 132 5.686 8.666 -10.517 1.00 0.00 C ATOM 877 O GLY A 132 5.704 9.867 -10.699 1.00 0.00 O ATOM 0 H GLY A 132 4.628 6.340 -10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 132 7.108 7.256 -11.327 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.300 8.228 -12.541 1.00 0.00 H new ATOM 881 N ASP A 133 5.288 8.159 -9.385 1.00 0.00 N ATOM 882 CA ASP A 133 4.844 9.058 -8.284 1.00 0.00 C ATOM 883 C ASP A 133 5.843 8.969 -7.136 1.00 0.00 C ATOM 884 O ASP A 133 5.983 9.875 -6.339 1.00 0.00 O ATOM 885 CB ASP A 133 3.465 8.632 -7.789 1.00 0.00 C ATOM 886 CG ASP A 133 3.368 7.107 -7.767 1.00 0.00 C ATOM 887 OD1 ASP A 133 4.377 6.470 -7.513 1.00 0.00 O ATOM 888 OD2 ASP A 133 2.283 6.601 -8.003 1.00 0.00 O ATOM 0 H ASP A 133 5.251 7.162 -9.174 1.00 0.00 H new ATOM 0 HA ASP A 133 4.790 10.083 -8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.289 9.031 -6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.693 9.045 -8.438 1.00 0.00 H new ATOM 893 N GLY A 134 6.539 7.877 -7.057 1.00 0.00 N ATOM 894 CA GLY A 134 7.545 7.700 -5.969 1.00 0.00 C ATOM 895 C GLY A 134 6.848 7.234 -4.687 1.00 0.00 C ATOM 896 O GLY A 134 7.486 6.850 -3.728 1.00 0.00 O ATOM 0 H GLY A 134 6.458 7.090 -7.701 1.00 0.00 H new ATOM 0 HA2 GLY A 134 8.296 6.970 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.068 8.639 -5.789 1.00 0.00 H new ATOM 900 N GLN A 135 5.544 7.264 -4.664 1.00 0.00 N ATOM 901 CA GLN A 135 4.805 6.822 -3.447 1.00 0.00 C ATOM 902 C GLN A 135 3.511 6.135 -3.870 1.00 0.00 C ATOM 903 O GLN A 135 3.287 5.873 -5.036 1.00 0.00 O ATOM 904 CB GLN A 135 4.453 8.037 -2.589 1.00 0.00 C ATOM 905 CG GLN A 135 3.730 9.068 -3.451 1.00 0.00 C ATOM 906 CD GLN A 135 4.121 10.477 -3.002 1.00 0.00 C ATOM 907 OE1 GLN A 135 5.195 10.681 -2.471 1.00 0.00 O ATOM 908 NE2 GLN A 135 3.290 11.464 -3.194 1.00 0.00 N ATOM 0 H GLN A 135 4.957 7.576 -5.437 1.00 0.00 H new ATOM 0 HA GLN A 135 5.430 6.135 -2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.821 7.736 -1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.358 8.471 -2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.988 8.925 -4.500 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.651 8.935 -3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.389 11.292 -3.640 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.542 12.407 -2.898 1.00 0.00 H new ATOM 917 N VAL A 136 2.648 5.856 -2.936 1.00 0.00 N ATOM 918 CA VAL A 136 1.366 5.205 -3.289 1.00 0.00 C ATOM 919 C VAL A 136 0.225 6.043 -2.721 1.00 0.00 C ATOM 920 O VAL A 136 0.408 6.825 -1.816 1.00 0.00 O ATOM 921 CB VAL A 136 1.320 3.803 -2.677 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.085 3.220 -2.837 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.332 2.899 -3.387 1.00 0.00 C ATOM 0 H VAL A 136 2.778 6.052 -1.944 1.00 0.00 H new ATOM 0 HA VAL A 136 1.272 5.127 -4.372 1.00 0.00 H new ATOM 0 HB VAL A 136 1.569 3.864 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.116 2.222 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.805 3.861 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.336 3.161 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.298 1.901 -2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.086 2.839 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.334 3.312 -3.270 1.00 0.00 H new ATOM 933 N ASN A 137 -0.951 5.875 -3.231 1.00 0.00 N ATOM 934 CA ASN A 137 -2.107 6.647 -2.697 1.00 0.00 C ATOM 935 C ASN A 137 -3.318 5.715 -2.687 1.00 0.00 C ATOM 936 O ASN A 137 -3.177 4.514 -2.812 1.00 0.00 O ATOM 937 CB ASN A 137 -2.375 7.887 -3.552 1.00 0.00 C ATOM 938 CG ASN A 137 -3.049 8.963 -2.700 1.00 0.00 C ATOM 939 OD1 ASN A 137 -2.495 9.333 -1.580 1.00 0.00 O flip ATOM 940 ND2 ASN A 137 -4.092 9.474 -3.058 1.00 0.00 N flip ATOM 0 H ASN A 137 -1.169 5.237 -3.996 1.00 0.00 H new ATOM 0 HA ASN A 137 -1.895 6.999 -1.687 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.439 8.267 -3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.012 7.627 -4.398 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.527 9.185 -3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.532 10.191 -2.482 1.00 0.00 H new ATOM 947 N TYR A 138 -4.497 6.226 -2.516 1.00 0.00 N ATOM 948 CA TYR A 138 -5.678 5.324 -2.469 1.00 0.00 C ATOM 949 C TYR A 138 -6.111 4.864 -3.871 1.00 0.00 C ATOM 950 O TYR A 138 -6.641 3.783 -4.028 1.00 0.00 O ATOM 951 CB TYR A 138 -6.836 6.052 -1.802 1.00 0.00 C ATOM 952 CG TYR A 138 -8.025 5.132 -1.786 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.057 4.058 -0.891 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.084 5.342 -2.671 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.154 3.188 -0.880 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.183 4.473 -2.664 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.218 3.396 -1.768 1.00 0.00 C ATOM 958 OH TYR A 138 -11.299 2.538 -1.762 1.00 0.00 O ATOM 0 H TYR A 138 -4.697 7.220 -2.407 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.398 4.438 -1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.567 6.343 -0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.072 6.968 -2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.235 3.900 -0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.056 6.173 -3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.180 2.359 -0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.003 4.633 -3.349 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.948 2.825 -2.438 1.00 0.00 H new ATOM 968 N GLU A 139 -5.921 5.661 -4.886 1.00 0.00 N ATOM 969 CA GLU A 139 -6.361 5.233 -6.248 1.00 0.00 C ATOM 970 C GLU A 139 -5.385 4.206 -6.823 1.00 0.00 C ATOM 971 O GLU A 139 -5.689 3.510 -7.771 1.00 0.00 O ATOM 972 CB GLU A 139 -6.428 6.450 -7.171 1.00 0.00 C ATOM 973 CG GLU A 139 -7.245 7.555 -6.499 1.00 0.00 C ATOM 974 CD GLU A 139 -6.338 8.747 -6.196 1.00 0.00 C ATOM 975 OE1 GLU A 139 -5.942 9.419 -7.134 1.00 0.00 O ATOM 976 OE2 GLU A 139 -6.052 8.968 -5.030 1.00 0.00 O ATOM 0 H GLU A 139 -5.485 6.582 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.348 4.777 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -5.423 6.809 -7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.883 6.174 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.064 7.863 -7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -7.693 7.182 -5.578 1.00 0.00 H new ATOM 983 N GLU A 140 -4.229 4.095 -6.247 1.00 0.00 N ATOM 984 CA GLU A 140 -3.241 3.102 -6.739 1.00 0.00 C ATOM 985 C GLU A 140 -3.298 1.894 -5.815 1.00 0.00 C ATOM 986 O GLU A 140 -3.145 0.763 -6.231 1.00 0.00 O ATOM 987 CB GLU A 140 -1.834 3.706 -6.718 1.00 0.00 C ATOM 988 CG GLU A 140 -1.886 5.139 -7.250 1.00 0.00 C ATOM 989 CD GLU A 140 -1.837 6.117 -6.084 1.00 0.00 C ATOM 990 OE1 GLU A 140 -2.546 5.890 -5.130 1.00 0.00 O ATOM 991 OE2 GLU A 140 -1.088 7.076 -6.169 1.00 0.00 O ATOM 0 H GLU A 140 -3.922 4.653 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.473 2.812 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.438 3.698 -5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.159 3.105 -7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.048 5.318 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.798 5.291 -7.827 1.00 0.00 H new ATOM 998 N PHE A 141 -3.536 2.136 -4.557 1.00 0.00 N ATOM 999 CA PHE A 141 -3.628 1.022 -3.583 1.00 0.00 C ATOM 1000 C PHE A 141 -4.929 0.258 -3.823 1.00 0.00 C ATOM 1001 O PHE A 141 -5.043 -0.906 -3.501 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.633 1.597 -2.169 1.00 0.00 C ATOM 1003 CG PHE A 141 -3.953 0.506 -1.180 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -2.923 -0.268 -0.634 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -5.281 0.270 -0.807 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -3.222 -1.281 0.286 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -5.580 -0.740 0.112 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.551 -1.516 0.658 1.00 0.00 C ATOM 0 H PHE A 141 -3.671 3.067 -4.162 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.779 0.349 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.661 2.035 -1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.369 2.397 -2.094 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.898 -0.084 -0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.075 0.868 -1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.428 -1.880 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.605 -0.922 0.401 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.783 -2.297 1.367 1.00 0.00 H new ATOM 1018 N VAL A 142 -5.914 0.908 -4.384 1.00 0.00 N ATOM 1019 CA VAL A 142 -7.209 0.217 -4.641 1.00 0.00 C ATOM 1020 C VAL A 142 -6.975 -0.971 -5.580 1.00 0.00 C ATOM 1021 O VAL A 142 -7.323 -2.094 -5.273 1.00 0.00 O ATOM 1022 CB VAL A 142 -8.194 1.210 -5.275 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.321 0.455 -5.989 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.797 2.089 -4.177 1.00 0.00 C ATOM 0 H VAL A 142 -5.877 1.885 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.627 -0.151 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 142 -7.662 1.826 -6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.013 1.170 -6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -8.898 -0.176 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -9.855 -0.167 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.497 2.796 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.322 1.462 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.001 2.636 -3.671 1.00 0.00 H new ATOM 1034 N GLN A 143 -6.392 -0.735 -6.723 1.00 0.00 N ATOM 1035 CA GLN A 143 -6.140 -1.854 -7.675 1.00 0.00 C ATOM 1036 C GLN A 143 -5.134 -2.834 -7.067 1.00 0.00 C ATOM 1037 O GLN A 143 -5.053 -3.980 -7.463 1.00 0.00 O ATOM 1038 CB GLN A 143 -5.582 -1.297 -8.982 1.00 0.00 C ATOM 1039 CG GLN A 143 -6.721 -0.708 -9.818 1.00 0.00 C ATOM 1040 CD GLN A 143 -6.844 -1.487 -11.129 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -7.536 -2.484 -11.192 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -6.200 -1.074 -12.185 1.00 0.00 N ATOM 0 H GLN A 143 -6.079 0.183 -7.039 1.00 0.00 H new ATOM 0 HA GLN A 143 -7.077 -2.375 -7.872 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -4.837 -0.530 -8.773 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -5.079 -2.087 -9.540 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -7.658 -0.758 -9.263 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.529 0.345 -10.024 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -5.619 -0.237 -12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -6.277 -1.588 -13.063 1.00 0.00 H new ATOM 1051 N MET A 144 -4.363 -2.394 -6.110 1.00 0.00 N ATOM 1052 CA MET A 144 -3.361 -3.304 -5.483 1.00 0.00 C ATOM 1053 C MET A 144 -4.025 -4.113 -4.368 1.00 0.00 C ATOM 1054 O MET A 144 -3.537 -5.151 -3.968 1.00 0.00 O ATOM 1055 CB MET A 144 -2.215 -2.475 -4.898 1.00 0.00 C ATOM 1056 CG MET A 144 -0.961 -3.344 -4.787 1.00 0.00 C ATOM 1057 SD MET A 144 -0.186 -3.495 -6.415 1.00 0.00 S ATOM 1058 CE MET A 144 1.479 -3.908 -5.838 1.00 0.00 C ATOM 0 H MET A 144 -4.383 -1.445 -5.735 1.00 0.00 H new ATOM 0 HA MET A 144 -2.970 -3.985 -6.239 1.00 0.00 H new ATOM 0 HB2 MET A 144 -2.017 -1.611 -5.532 1.00 0.00 H new ATOM 0 HB3 MET A 144 -2.493 -2.092 -3.916 1.00 0.00 H new ATOM 0 HG2 MET A 144 -0.261 -2.902 -4.079 1.00 0.00 H new ATOM 0 HG3 MET A 144 -1.222 -4.330 -4.404 1.00 0.00 H new ATOM 0 HE1 MET A 144 2.198 -3.216 -6.277 1.00 0.00 H new ATOM 0 HE2 MET A 144 1.517 -3.830 -4.751 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.726 -4.926 -6.138 1.00 0.00 H new ATOM 1068 N MET A 145 -5.133 -3.648 -3.859 1.00 0.00 N ATOM 1069 CA MET A 145 -5.820 -4.389 -2.773 1.00 0.00 C ATOM 1070 C MET A 145 -6.690 -5.492 -3.379 1.00 0.00 C ATOM 1071 O MET A 145 -6.769 -6.588 -2.863 1.00 0.00 O ATOM 1072 CB MET A 145 -6.696 -3.423 -1.971 1.00 0.00 C ATOM 1073 CG MET A 145 -6.952 -3.999 -0.577 1.00 0.00 C ATOM 1074 SD MET A 145 -8.644 -4.633 -0.486 1.00 0.00 S ATOM 1075 CE MET A 145 -8.219 -6.378 -0.279 1.00 0.00 C ATOM 0 H MET A 145 -5.590 -2.784 -4.152 1.00 0.00 H new ATOM 0 HA MET A 145 -5.078 -4.837 -2.112 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.205 -2.453 -1.890 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.642 -3.260 -2.487 1.00 0.00 H new ATOM 0 HG2 MET A 145 -6.241 -4.798 -0.366 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.800 -3.229 0.180 1.00 0.00 H new ATOM 0 HE1 MET A 145 -8.595 -6.947 -1.129 1.00 0.00 H new ATOM 0 HE2 MET A 145 -7.136 -6.484 -0.221 1.00 0.00 H new ATOM 0 HE3 MET A 145 -8.670 -6.756 0.638 1.00 0.00 H new ATOM 1085 N THR A 146 -7.342 -5.210 -4.474 1.00 0.00 N ATOM 1086 CA THR A 146 -8.206 -6.241 -5.116 1.00 0.00 C ATOM 1087 C THR A 146 -7.327 -7.284 -5.808 1.00 0.00 C ATOM 1088 O THR A 146 -7.403 -8.462 -5.522 1.00 0.00 O ATOM 1089 CB THR A 146 -9.114 -5.573 -6.152 1.00 0.00 C ATOM 1090 OG1 THR A 146 -8.340 -4.700 -6.964 1.00 0.00 O ATOM 1091 CG2 THR A 146 -10.206 -4.775 -5.439 1.00 0.00 C ATOM 0 H THR A 146 -7.314 -4.309 -4.952 1.00 0.00 H new ATOM 0 HA THR A 146 -8.817 -6.727 -4.355 1.00 0.00 H new ATOM 0 HB THR A 146 -9.576 -6.337 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 146 -8.919 -4.272 -7.629 1.00 0.00 H new ATOM 0 HG21 THR A 146 -10.851 -4.300 -6.178 1.00 0.00 H new ATOM 0 HG22 THR A 146 -10.799 -5.445 -4.817 1.00 0.00 H new ATOM 0 HG23 THR A 146 -9.747 -4.010 -4.813 1.00 0.00 H new