USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= 0.0271 (180deg=-0.357) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.385 X(o=-0.39,f=-0.076) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= -1.9! USER MOD Single : A 111 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.0084) USER MOD Single : A 115 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.00826) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.544 USER MOD Single : A 124 MET CE :methyl -166:sc= -0.0693 (180deg=-0.709) USER MOD Single : A 135 GLN : amide:sc= 1.01 K(o=1,f=-1.4!) USER MOD Single : A 137 ASN : amide:sc= -1.6! X(o=-1.6!,f=-1.9) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.16) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 180:sc=-0.00172 (180deg=-0.00172) USER MOD Single : A 146 THR OG1 : rot 180:sc=-0.00402 USER MOD ----------------------------------------------------------------- ATOM 106 N GLU A 83 -15.885 -0.331 1.799 1.00 0.00 N ATOM 107 CA GLU A 83 -14.926 0.090 2.854 1.00 0.00 C ATOM 108 C GLU A 83 -13.802 -0.940 2.959 1.00 0.00 C ATOM 109 O GLU A 83 -12.767 -0.689 3.542 1.00 0.00 O ATOM 110 CB GLU A 83 -15.653 0.194 4.196 1.00 0.00 C ATOM 111 CG GLU A 83 -15.954 1.663 4.499 1.00 0.00 C ATOM 112 CD GLU A 83 -17.456 1.840 4.730 1.00 0.00 C ATOM 113 OE1 GLU A 83 -18.223 1.224 4.008 1.00 0.00 O ATOM 114 OE2 GLU A 83 -17.813 2.588 5.624 1.00 0.00 O ATOM 0 HA GLU A 83 -14.505 1.062 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.579 -0.380 4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.039 -0.234 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.400 1.984 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.626 2.291 3.670 1.00 0.00 H new ATOM 121 N GLU A 84 -13.997 -2.102 2.398 1.00 0.00 N ATOM 122 CA GLU A 84 -12.941 -3.152 2.462 1.00 0.00 C ATOM 123 C GLU A 84 -11.623 -2.584 1.930 1.00 0.00 C ATOM 124 O GLU A 84 -10.611 -2.608 2.601 1.00 0.00 O ATOM 125 CB GLU A 84 -13.365 -4.349 1.607 1.00 0.00 C ATOM 126 CG GLU A 84 -13.100 -5.645 2.375 1.00 0.00 C ATOM 127 CD GLU A 84 -11.654 -6.091 2.146 1.00 0.00 C ATOM 128 OE1 GLU A 84 -10.763 -5.301 2.407 1.00 0.00 O ATOM 129 OE2 GLU A 84 -11.464 -7.215 1.712 1.00 0.00 O ATOM 0 H GLU A 84 -14.844 -2.370 1.897 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.806 -3.472 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.423 -4.273 1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.813 -4.352 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.280 -5.492 3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.788 -6.423 2.044 1.00 0.00 H new ATOM 136 N ILE A 85 -11.624 -2.074 0.728 1.00 0.00 N ATOM 137 CA ILE A 85 -10.371 -1.508 0.154 1.00 0.00 C ATOM 138 C ILE A 85 -10.050 -0.180 0.838 1.00 0.00 C ATOM 139 O ILE A 85 -8.914 0.104 1.159 1.00 0.00 O ATOM 140 CB ILE A 85 -10.556 -1.282 -1.346 1.00 0.00 C ATOM 141 CG1 ILE A 85 -11.217 -2.510 -1.967 1.00 0.00 C ATOM 142 CG2 ILE A 85 -9.195 -1.046 -2.003 1.00 0.00 C ATOM 143 CD1 ILE A 85 -12.648 -2.166 -2.386 1.00 0.00 C ATOM 0 H ILE A 85 -12.440 -2.025 0.118 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.549 -2.205 0.317 1.00 0.00 H new ATOM 0 HB ILE A 85 -11.188 -0.409 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.645 -2.845 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.225 -3.332 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.330 -0.885 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.725 -0.168 -1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.559 -1.917 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -13.118 -3.044 -2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -13.218 -1.852 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.629 -1.357 -3.116 1.00 0.00 H new ATOM 155 N ARG A 86 -11.038 0.637 1.069 1.00 0.00 N ATOM 156 CA ARG A 86 -10.777 1.940 1.741 1.00 0.00 C ATOM 157 C ARG A 86 -9.946 1.694 2.999 1.00 0.00 C ATOM 158 O ARG A 86 -9.154 2.520 3.408 1.00 0.00 O ATOM 159 CB ARG A 86 -12.107 2.582 2.131 1.00 0.00 C ATOM 160 CG ARG A 86 -12.205 3.980 1.518 1.00 0.00 C ATOM 161 CD ARG A 86 -13.664 4.439 1.528 1.00 0.00 C ATOM 162 NE ARG A 86 -14.125 4.606 2.936 1.00 0.00 N ATOM 163 CZ ARG A 86 -15.349 4.984 3.178 1.00 0.00 C ATOM 164 NH1 ARG A 86 -16.077 5.487 2.218 1.00 0.00 N ATOM 165 NH2 ARG A 86 -15.848 4.861 4.378 1.00 0.00 N ATOM 0 H ARG A 86 -12.012 0.460 0.823 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.237 2.603 1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.935 1.964 1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.187 2.644 3.216 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.588 4.680 2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.823 3.969 0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.763 5.380 0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.289 3.709 1.014 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.484 4.425 3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.688 5.584 1.280 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.035 5.783 2.406 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.280 4.468 5.129 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.806 5.157 4.565 1.00 0.00 H new ATOM 179 N GLU A 87 -10.128 0.561 3.618 1.00 0.00 N ATOM 180 CA GLU A 87 -9.358 0.252 4.855 1.00 0.00 C ATOM 181 C GLU A 87 -8.010 -0.370 4.493 1.00 0.00 C ATOM 182 O GLU A 87 -6.978 0.138 4.868 1.00 0.00 O ATOM 183 CB GLU A 87 -10.150 -0.726 5.721 1.00 0.00 C ATOM 184 CG GLU A 87 -11.428 -0.050 6.218 1.00 0.00 C ATOM 185 CD GLU A 87 -12.042 -0.891 7.340 1.00 0.00 C ATOM 186 OE1 GLU A 87 -11.701 -2.059 7.432 1.00 0.00 O ATOM 187 OE2 GLU A 87 -12.844 -0.353 8.085 1.00 0.00 O ATOM 0 H GLU A 87 -10.778 -0.166 3.320 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.189 1.177 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.398 -1.618 5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.545 -1.050 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.205 0.953 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.138 0.058 5.398 1.00 0.00 H new ATOM 194 N ALA A 88 -8.007 -1.466 3.772 1.00 0.00 N ATOM 195 CA ALA A 88 -6.714 -2.109 3.398 1.00 0.00 C ATOM 196 C ALA A 88 -5.712 -1.025 3.015 1.00 0.00 C ATOM 197 O ALA A 88 -4.525 -1.145 3.249 1.00 0.00 O ATOM 198 CB ALA A 88 -6.933 -3.048 2.211 1.00 0.00 C ATOM 0 H ALA A 88 -8.843 -1.939 3.429 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.330 -2.683 4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.987 -3.517 1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.655 -3.818 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.313 -2.479 1.362 1.00 0.00 H new ATOM 204 N PHE A 89 -6.187 0.041 2.440 1.00 0.00 N ATOM 205 CA PHE A 89 -5.280 1.145 2.052 1.00 0.00 C ATOM 206 C PHE A 89 -4.574 1.673 3.294 1.00 0.00 C ATOM 207 O PHE A 89 -3.364 1.703 3.370 1.00 0.00 O ATOM 208 CB PHE A 89 -6.088 2.275 1.424 1.00 0.00 C ATOM 209 CG PHE A 89 -5.155 3.414 1.111 1.00 0.00 C ATOM 210 CD1 PHE A 89 -4.299 3.318 0.015 1.00 0.00 C ATOM 211 CD2 PHE A 89 -5.142 4.557 1.917 1.00 0.00 C ATOM 212 CE1 PHE A 89 -3.422 4.363 -0.286 1.00 0.00 C ATOM 213 CE2 PHE A 89 -4.264 5.608 1.619 1.00 0.00 C ATOM 214 CZ PHE A 89 -3.404 5.511 0.516 1.00 0.00 C ATOM 0 H PHE A 89 -7.172 0.193 2.222 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.548 0.776 1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.581 1.929 0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.872 2.604 2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.314 2.433 -0.604 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.806 4.629 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.759 4.286 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.250 6.492 2.239 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.728 6.321 0.285 1.00 0.00 H new ATOM 224 N ARG A 90 -5.330 2.092 4.263 1.00 0.00 N ATOM 225 CA ARG A 90 -4.727 2.626 5.510 1.00 0.00 C ATOM 226 C ARG A 90 -3.862 1.550 6.168 1.00 0.00 C ATOM 227 O ARG A 90 -2.829 1.841 6.738 1.00 0.00 O ATOM 228 CB ARG A 90 -5.846 3.032 6.461 1.00 0.00 C ATOM 229 CG ARG A 90 -5.704 4.512 6.816 1.00 0.00 C ATOM 230 CD ARG A 90 -6.497 4.834 8.094 1.00 0.00 C ATOM 231 NE ARG A 90 -7.140 3.597 8.632 1.00 0.00 N ATOM 232 CZ ARG A 90 -7.046 3.308 9.900 1.00 0.00 C ATOM 233 NH1 ARG A 90 -7.451 4.164 10.798 1.00 0.00 N ATOM 234 NH2 ARG A 90 -6.548 2.160 10.272 1.00 0.00 N ATOM 0 H ARG A 90 -6.350 2.088 4.245 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.104 3.490 5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.815 2.850 5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.807 2.425 7.366 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.652 4.759 6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.065 5.127 5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.832 5.262 8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.259 5.583 7.878 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.654 2.977 8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.842 5.061 10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.377 3.936 11.790 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.233 1.490 9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.474 1.933 11.264 1.00 0.00 H new ATOM 248 N VAL A 91 -4.271 0.309 6.089 1.00 0.00 N ATOM 249 CA VAL A 91 -3.466 -0.785 6.702 1.00 0.00 C ATOM 250 C VAL A 91 -1.995 -0.532 6.378 1.00 0.00 C ATOM 251 O VAL A 91 -1.110 -0.828 7.156 1.00 0.00 O ATOM 252 CB VAL A 91 -3.909 -2.129 6.115 1.00 0.00 C ATOM 253 CG1 VAL A 91 -2.957 -3.232 6.571 1.00 0.00 C ATOM 254 CG2 VAL A 91 -5.324 -2.454 6.599 1.00 0.00 C ATOM 0 H VAL A 91 -5.128 0.008 5.626 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.610 -0.809 7.782 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.896 -2.066 5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.277 -4.185 6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.947 -3.005 6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.966 -3.294 7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.641 -3.410 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.332 -2.512 7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.009 -1.671 6.273 1.00 0.00 H new ATOM 264 N PHE A 92 -1.739 0.045 5.236 1.00 0.00 N ATOM 265 CA PHE A 92 -0.338 0.360 4.850 1.00 0.00 C ATOM 266 C PHE A 92 -0.077 1.833 5.164 1.00 0.00 C ATOM 267 O PHE A 92 1.022 2.230 5.497 1.00 0.00 O ATOM 268 CB PHE A 92 -0.159 0.122 3.349 1.00 0.00 C ATOM 269 CG PHE A 92 -0.235 -1.359 3.058 1.00 0.00 C ATOM 270 CD1 PHE A 92 0.917 -2.149 3.149 1.00 0.00 C ATOM 271 CD2 PHE A 92 -1.457 -1.941 2.698 1.00 0.00 C ATOM 272 CE1 PHE A 92 0.849 -3.521 2.879 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.525 -3.314 2.431 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.373 -4.104 2.520 1.00 0.00 C ATOM 0 H PHE A 92 -2.446 0.313 4.551 1.00 0.00 H new ATOM 0 HA PHE A 92 0.358 -0.274 5.399 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.931 0.652 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.801 0.519 3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.859 -1.700 3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.346 -1.332 2.626 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.738 -4.130 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.468 -3.764 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.426 -5.162 2.312 1.00 0.00 H new ATOM 284 N ASP A 93 -1.095 2.644 5.060 1.00 0.00 N ATOM 285 CA ASP A 93 -0.945 4.093 5.345 1.00 0.00 C ATOM 286 C ASP A 93 -1.360 4.370 6.792 1.00 0.00 C ATOM 287 O ASP A 93 -2.471 4.782 7.061 1.00 0.00 O ATOM 288 CB ASP A 93 -1.853 4.868 4.395 1.00 0.00 C ATOM 289 CG ASP A 93 -1.462 6.347 4.404 1.00 0.00 C ATOM 290 OD1 ASP A 93 -0.564 6.706 3.660 1.00 0.00 O ATOM 291 OD2 ASP A 93 -2.067 7.096 5.155 1.00 0.00 O ATOM 0 H ASP A 93 -2.035 2.357 4.786 1.00 0.00 H new ATOM 0 HA ASP A 93 0.091 4.401 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.769 4.465 3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.894 4.755 4.697 1.00 0.00 H new ATOM 296 N LYS A 94 -0.479 4.137 7.725 1.00 0.00 N ATOM 297 CA LYS A 94 -0.823 4.376 9.155 1.00 0.00 C ATOM 298 C LYS A 94 -0.803 5.868 9.461 1.00 0.00 C ATOM 299 O LYS A 94 -1.418 6.327 10.403 1.00 0.00 O ATOM 300 CB LYS A 94 0.193 3.670 10.040 1.00 0.00 C ATOM 301 CG LYS A 94 -0.023 2.159 9.962 1.00 0.00 C ATOM 302 CD LYS A 94 -0.887 1.711 11.141 1.00 0.00 C ATOM 303 CE LYS A 94 -2.304 1.409 10.651 1.00 0.00 C ATOM 304 NZ LYS A 94 -2.309 0.117 9.909 1.00 0.00 N ATOM 0 H LYS A 94 0.466 3.791 7.559 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.823 3.987 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.205 3.920 9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.091 4.010 11.071 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.507 1.897 9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.936 1.641 9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.455 0.825 11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.913 2.490 11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.989 1.357 11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.656 2.213 10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.283 -0.241 9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.927 0.264 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.720 -0.576 10.414 1.00 0.00 H new ATOM 318 N ASP A 95 -0.104 6.630 8.677 1.00 0.00 N ATOM 319 CA ASP A 95 -0.053 8.093 8.932 1.00 0.00 C ATOM 320 C ASP A 95 -1.340 8.739 8.416 1.00 0.00 C ATOM 321 O ASP A 95 -1.507 9.939 8.492 1.00 0.00 O ATOM 322 CB ASP A 95 1.147 8.700 8.204 1.00 0.00 C ATOM 323 CG ASP A 95 2.423 8.430 9.002 1.00 0.00 C ATOM 324 OD1 ASP A 95 2.332 7.758 10.017 1.00 0.00 O ATOM 325 OD2 ASP A 95 3.469 8.897 8.585 1.00 0.00 O ATOM 0 H ASP A 95 0.433 6.307 7.873 1.00 0.00 H new ATOM 0 HA ASP A 95 0.046 8.273 10.003 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.234 8.272 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.004 9.773 8.080 1.00 0.00 H new ATOM 330 N GLY A 96 -2.251 7.948 7.903 1.00 0.00 N ATOM 331 CA GLY A 96 -3.536 8.512 7.384 1.00 0.00 C ATOM 332 C GLY A 96 -3.283 9.862 6.704 1.00 0.00 C ATOM 333 O GLY A 96 -4.132 10.732 6.697 1.00 0.00 O ATOM 0 H GLY A 96 -2.160 6.935 7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.987 7.818 6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.245 8.636 8.203 1.00 0.00 H new ATOM 337 N ASN A 97 -2.119 10.050 6.140 1.00 0.00 N ATOM 338 CA ASN A 97 -1.813 11.348 5.470 1.00 0.00 C ATOM 339 C ASN A 97 -2.478 11.382 4.090 1.00 0.00 C ATOM 340 O ASN A 97 -2.938 12.413 3.638 1.00 0.00 O ATOM 341 CB ASN A 97 -0.290 11.489 5.325 1.00 0.00 C ATOM 342 CG ASN A 97 0.049 12.450 4.180 1.00 0.00 C ATOM 343 OD1 ASN A 97 -0.378 13.588 4.180 1.00 0.00 O ATOM 344 ND2 ASN A 97 0.799 12.033 3.198 1.00 0.00 N ATOM 0 H ASN A 97 -1.367 9.361 6.114 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.198 12.174 6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.138 11.858 6.257 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.156 10.513 5.134 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.028 12.662 2.429 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.157 11.078 3.199 1.00 0.00 H new ATOM 351 N GLY A 98 -2.522 10.270 3.415 1.00 0.00 N ATOM 352 CA GLY A 98 -3.144 10.243 2.061 1.00 0.00 C ATOM 353 C GLY A 98 -2.342 9.299 1.167 1.00 0.00 C ATOM 354 O GLY A 98 -2.880 8.392 0.567 1.00 0.00 O ATOM 0 H GLY A 98 -2.154 9.376 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.180 9.909 2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.159 11.245 1.633 1.00 0.00 H new ATOM 358 N TYR A 99 -1.052 9.496 1.088 1.00 0.00 N ATOM 359 CA TYR A 99 -0.218 8.599 0.250 1.00 0.00 C ATOM 360 C TYR A 99 0.588 7.676 1.160 1.00 0.00 C ATOM 361 O TYR A 99 0.840 7.981 2.310 1.00 0.00 O ATOM 362 CB TYR A 99 0.757 9.415 -0.605 1.00 0.00 C ATOM 363 CG TYR A 99 0.012 10.421 -1.442 1.00 0.00 C ATOM 364 CD1 TYR A 99 -1.369 10.301 -1.645 1.00 0.00 C ATOM 365 CD2 TYR A 99 0.714 11.479 -2.019 1.00 0.00 C ATOM 366 CE1 TYR A 99 -2.044 11.245 -2.425 1.00 0.00 C ATOM 367 CE2 TYR A 99 0.043 12.425 -2.799 1.00 0.00 C ATOM 368 CZ TYR A 99 -1.339 12.309 -3.003 1.00 0.00 C ATOM 369 OH TYR A 99 -2.004 13.241 -3.772 1.00 0.00 O ATOM 0 H TYR A 99 -0.545 10.239 1.568 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.872 8.022 -0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.473 9.927 0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.329 8.749 -1.251 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.912 9.480 -1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.779 11.568 -1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.109 11.154 -2.582 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.588 13.244 -3.244 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.367 13.912 -4.096 1.00 0.00 H new ATOM 379 N ILE A 100 0.996 6.553 0.652 1.00 0.00 N ATOM 380 CA ILE A 100 1.787 5.601 1.470 1.00 0.00 C ATOM 381 C ILE A 100 3.278 5.798 1.175 1.00 0.00 C ATOM 382 O ILE A 100 3.762 5.456 0.115 1.00 0.00 O ATOM 383 CB ILE A 100 1.365 4.183 1.101 1.00 0.00 C ATOM 384 CG1 ILE A 100 -0.058 3.931 1.627 1.00 0.00 C ATOM 385 CG2 ILE A 100 2.333 3.178 1.734 1.00 0.00 C ATOM 386 CD1 ILE A 100 -0.648 2.683 0.972 1.00 0.00 C ATOM 0 H ILE A 100 0.814 6.251 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 100 1.611 5.773 2.532 1.00 0.00 H new ATOM 0 HB ILE A 100 1.383 4.063 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.037 3.807 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.690 4.794 1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.030 2.165 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.342 3.363 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.316 3.290 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.656 2.514 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.686 2.823 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.024 1.820 1.204 1.00 0.00 H new ATOM 398 N SER A 101 4.007 6.356 2.104 1.00 0.00 N ATOM 399 CA SER A 101 5.462 6.582 1.876 1.00 0.00 C ATOM 400 C SER A 101 6.225 5.272 2.070 1.00 0.00 C ATOM 401 O SER A 101 5.644 4.235 2.329 1.00 0.00 O ATOM 402 CB SER A 101 5.976 7.618 2.878 1.00 0.00 C ATOM 403 OG SER A 101 6.300 6.967 4.100 1.00 0.00 O ATOM 0 H SER A 101 3.657 6.665 3.011 1.00 0.00 H new ATOM 0 HA SER A 101 5.616 6.943 0.859 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.855 8.124 2.478 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.218 8.383 3.049 1.00 0.00 H new ATOM 0 HG SER A 101 6.631 7.627 4.744 1.00 0.00 H new ATOM 409 N ALA A 102 7.525 5.311 1.953 1.00 0.00 N ATOM 410 CA ALA A 102 8.327 4.070 2.137 1.00 0.00 C ATOM 411 C ALA A 102 8.186 3.591 3.581 1.00 0.00 C ATOM 412 O ALA A 102 7.985 2.422 3.842 1.00 0.00 O ATOM 413 CB ALA A 102 9.799 4.363 1.836 1.00 0.00 C ATOM 0 H ALA A 102 8.065 6.149 1.738 1.00 0.00 H new ATOM 0 HA ALA A 102 7.968 3.297 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.386 3.454 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.898 4.710 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.163 5.134 2.515 1.00 0.00 H new ATOM 419 N ALA A 103 8.290 4.489 4.520 1.00 0.00 N ATOM 420 CA ALA A 103 8.163 4.092 5.947 1.00 0.00 C ATOM 421 C ALA A 103 6.761 3.537 6.205 1.00 0.00 C ATOM 422 O ALA A 103 6.548 2.773 7.126 1.00 0.00 O ATOM 423 CB ALA A 103 8.405 5.309 6.841 1.00 0.00 C ATOM 0 H ALA A 103 8.458 5.482 4.359 1.00 0.00 H new ATOM 0 HA ALA A 103 8.902 3.323 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.312 5.017 7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.407 5.699 6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.669 6.080 6.613 1.00 0.00 H new ATOM 429 N GLU A 104 5.799 3.908 5.401 1.00 0.00 N ATOM 430 CA GLU A 104 4.421 3.389 5.612 1.00 0.00 C ATOM 431 C GLU A 104 4.349 1.951 5.096 1.00 0.00 C ATOM 432 O GLU A 104 3.625 1.127 5.620 1.00 0.00 O ATOM 433 CB GLU A 104 3.421 4.265 4.855 1.00 0.00 C ATOM 434 CG GLU A 104 3.340 5.637 5.525 1.00 0.00 C ATOM 435 CD GLU A 104 2.077 5.708 6.383 1.00 0.00 C ATOM 436 OE1 GLU A 104 2.071 5.105 7.443 1.00 0.00 O ATOM 437 OE2 GLU A 104 1.136 6.365 5.965 1.00 0.00 O ATOM 0 H GLU A 104 5.910 4.545 4.612 1.00 0.00 H new ATOM 0 HA GLU A 104 4.175 3.409 6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.730 4.373 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.439 3.793 4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.222 5.805 6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.325 6.423 4.770 1.00 0.00 H new ATOM 444 N LEU A 105 5.106 1.641 4.080 1.00 0.00 N ATOM 445 CA LEU A 105 5.095 0.253 3.539 1.00 0.00 C ATOM 446 C LEU A 105 6.147 -0.575 4.278 1.00 0.00 C ATOM 447 O LEU A 105 6.173 -1.786 4.196 1.00 0.00 O ATOM 448 CB LEU A 105 5.423 0.284 2.045 1.00 0.00 C ATOM 449 CG LEU A 105 4.629 -0.808 1.326 1.00 0.00 C ATOM 450 CD1 LEU A 105 5.048 -0.863 -0.143 1.00 0.00 C ATOM 451 CD2 LEU A 105 4.912 -2.160 1.985 1.00 0.00 C ATOM 0 H LEU A 105 5.732 2.289 3.601 1.00 0.00 H new ATOM 0 HA LEU A 105 4.110 -0.192 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.178 1.261 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.492 0.131 1.893 1.00 0.00 H new ATOM 0 HG LEU A 105 3.564 -0.584 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.482 -1.641 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.849 0.099 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 105 6.113 -1.086 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.347 -2.939 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.977 -2.381 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.614 -2.124 3.033 1.00 0.00 H new ATOM 463 N ARG A 106 7.014 0.076 5.006 1.00 0.00 N ATOM 464 CA ARG A 106 8.065 -0.660 5.760 1.00 0.00 C ATOM 465 C ARG A 106 7.526 -0.998 7.158 1.00 0.00 C ATOM 466 O ARG A 106 8.090 -1.799 7.877 1.00 0.00 O ATOM 467 CB ARG A 106 9.317 0.230 5.854 1.00 0.00 C ATOM 468 CG ARG A 106 10.055 0.001 7.178 1.00 0.00 C ATOM 469 CD ARG A 106 11.293 0.898 7.231 1.00 0.00 C ATOM 470 NE ARG A 106 12.221 0.407 8.289 1.00 0.00 N ATOM 471 CZ ARG A 106 13.372 0.995 8.471 1.00 0.00 C ATOM 472 NH1 ARG A 106 13.415 2.226 8.899 1.00 0.00 N ATOM 473 NH2 ARG A 106 14.479 0.352 8.221 1.00 0.00 N ATOM 0 H ARG A 106 7.038 1.090 5.110 1.00 0.00 H new ATOM 0 HA ARG A 106 8.330 -1.588 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.984 0.015 5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.030 1.278 5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.396 0.222 8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.346 -1.045 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.796 0.899 6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.000 1.927 7.439 1.00 0.00 H new ATOM 0 HE ARG A 106 11.957 -0.388 8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.549 2.730 9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.315 2.685 9.041 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.445 -0.610 7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.379 0.811 8.363 1.00 0.00 H new ATOM 487 N HIS A 107 6.443 -0.381 7.544 1.00 0.00 N ATOM 488 CA HIS A 107 5.861 -0.646 8.891 1.00 0.00 C ATOM 489 C HIS A 107 5.095 -1.974 8.884 1.00 0.00 C ATOM 490 O HIS A 107 4.940 -2.614 9.904 1.00 0.00 O ATOM 491 CB HIS A 107 4.900 0.491 9.250 1.00 0.00 C ATOM 492 CG HIS A 107 4.094 0.117 10.462 1.00 0.00 C ATOM 493 ND1 HIS A 107 4.646 0.065 11.732 1.00 0.00 N ATOM 494 CD2 HIS A 107 2.772 -0.220 10.615 1.00 0.00 C ATOM 495 CE1 HIS A 107 3.667 -0.288 12.586 1.00 0.00 C ATOM 496 NE2 HIS A 107 2.504 -0.475 11.957 1.00 0.00 N ATOM 0 H HIS A 107 5.933 0.300 6.981 1.00 0.00 H new ATOM 0 HA HIS A 107 6.664 -0.705 9.625 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.461 1.405 9.444 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.236 0.696 8.410 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.049 -0.278 9.815 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.805 -0.406 13.651 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.612 -0.746 12.371 1.00 0.00 H new ATOM 504 N VAL A 108 4.600 -2.389 7.749 1.00 0.00 N ATOM 505 CA VAL A 108 3.834 -3.667 7.703 1.00 0.00 C ATOM 506 C VAL A 108 4.660 -4.762 7.028 1.00 0.00 C ATOM 507 O VAL A 108 4.806 -5.852 7.545 1.00 0.00 O ATOM 508 CB VAL A 108 2.535 -3.458 6.922 1.00 0.00 C ATOM 509 CG1 VAL A 108 1.830 -4.802 6.734 1.00 0.00 C ATOM 510 CG2 VAL A 108 1.619 -2.509 7.699 1.00 0.00 C ATOM 0 H VAL A 108 4.692 -1.902 6.858 1.00 0.00 H new ATOM 0 HA VAL A 108 3.607 -3.975 8.724 1.00 0.00 H new ATOM 0 HB VAL A 108 2.764 -3.027 5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.905 -4.653 6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.480 -5.480 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.602 -5.233 7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.694 -2.360 7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.391 -2.940 8.674 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.119 -1.550 7.834 1.00 0.00 H new ATOM 520 N MET A 109 5.189 -4.486 5.874 1.00 0.00 N ATOM 521 CA MET A 109 5.997 -5.515 5.156 1.00 0.00 C ATOM 522 C MET A 109 7.141 -5.996 6.052 1.00 0.00 C ATOM 523 O MET A 109 7.705 -7.051 5.839 1.00 0.00 O ATOM 524 CB MET A 109 6.572 -4.912 3.873 1.00 0.00 C ATOM 525 CG MET A 109 5.603 -5.153 2.713 1.00 0.00 C ATOM 526 SD MET A 109 5.984 -6.738 1.924 1.00 0.00 S ATOM 527 CE MET A 109 4.480 -6.862 0.923 1.00 0.00 C ATOM 0 H MET A 109 5.099 -3.592 5.392 1.00 0.00 H new ATOM 0 HA MET A 109 5.357 -6.361 4.905 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.739 -3.843 4.005 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.540 -5.361 3.651 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.576 -5.154 3.078 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.682 -4.345 1.986 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.504 -7.784 0.343 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.607 -6.867 1.576 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.422 -6.009 0.247 1.00 0.00 H new ATOM 537 N THR A 110 7.490 -5.235 7.052 1.00 0.00 N ATOM 538 CA THR A 110 8.600 -5.657 7.953 1.00 0.00 C ATOM 539 C THR A 110 8.042 -6.519 9.088 1.00 0.00 C ATOM 540 O THR A 110 8.719 -7.377 9.617 1.00 0.00 O ATOM 541 CB THR A 110 9.281 -4.423 8.538 1.00 0.00 C ATOM 542 OG1 THR A 110 10.483 -4.810 9.188 1.00 0.00 O ATOM 543 CG2 THR A 110 8.344 -3.762 9.542 1.00 0.00 C ATOM 0 H THR A 110 7.056 -4.342 7.284 1.00 0.00 H new ATOM 0 HA THR A 110 9.326 -6.236 7.383 1.00 0.00 H new ATOM 0 HB THR A 110 9.515 -3.718 7.740 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.922 -4.018 9.563 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.826 -2.880 9.963 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.422 -3.467 9.040 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.113 -4.466 10.342 1.00 0.00 H new ATOM 551 N ASN A 111 6.813 -6.298 9.463 1.00 0.00 N ATOM 552 CA ASN A 111 6.213 -7.106 10.562 1.00 0.00 C ATOM 553 C ASN A 111 6.380 -8.595 10.247 1.00 0.00 C ATOM 554 O ASN A 111 6.783 -9.375 11.087 1.00 0.00 O ATOM 555 CB ASN A 111 4.725 -6.771 10.687 1.00 0.00 C ATOM 556 CG ASN A 111 4.259 -7.033 12.121 1.00 0.00 C ATOM 557 OD1 ASN A 111 3.382 -7.842 12.348 1.00 0.00 O ATOM 558 ND2 ASN A 111 4.812 -6.378 13.105 1.00 0.00 N ATOM 0 H ASN A 111 6.198 -5.593 9.056 1.00 0.00 H new ATOM 0 HA ASN A 111 6.715 -6.875 11.502 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.553 -5.727 10.423 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.146 -7.376 9.989 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.508 -6.546 14.064 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.549 -5.698 12.915 1.00 0.00 H new ATOM 565 N LEU A 112 6.068 -8.998 9.045 1.00 0.00 N ATOM 566 CA LEU A 112 6.206 -10.436 8.685 1.00 0.00 C ATOM 567 C LEU A 112 6.924 -10.576 7.339 1.00 0.00 C ATOM 568 O LEU A 112 7.204 -11.670 6.891 1.00 0.00 O ATOM 569 CB LEU A 112 4.819 -11.067 8.588 1.00 0.00 C ATOM 570 CG LEU A 112 3.966 -10.269 7.598 1.00 0.00 C ATOM 571 CD1 LEU A 112 3.910 -11.009 6.260 1.00 0.00 C ATOM 572 CD2 LEU A 112 2.547 -10.113 8.151 1.00 0.00 C ATOM 0 H LEU A 112 5.724 -8.394 8.299 1.00 0.00 H new ATOM 0 HA LEU A 112 6.790 -10.942 9.454 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.901 -12.104 8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.343 -11.078 9.569 1.00 0.00 H new ATOM 0 HG LEU A 112 4.409 -9.284 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.303 -10.441 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.919 -11.119 5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.468 -11.994 6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.942 -9.545 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.104 -11.098 8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.584 -9.585 9.104 1.00 0.00 H new ATOM 584 N GLY A 113 7.229 -9.486 6.692 1.00 0.00 N ATOM 585 CA GLY A 113 7.930 -9.575 5.382 1.00 0.00 C ATOM 586 C GLY A 113 9.401 -9.217 5.577 1.00 0.00 C ATOM 587 O GLY A 113 10.097 -8.861 4.646 1.00 0.00 O ATOM 0 H GLY A 113 7.024 -8.540 7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.839 -10.582 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.470 -8.897 4.663 1.00 0.00 H new ATOM 591 N GLU A 114 9.880 -9.302 6.787 1.00 0.00 N ATOM 592 CA GLU A 114 11.307 -8.964 7.052 1.00 0.00 C ATOM 593 C GLU A 114 11.541 -7.486 6.734 1.00 0.00 C ATOM 594 O GLU A 114 11.004 -6.952 5.785 1.00 0.00 O ATOM 595 CB GLU A 114 12.211 -9.829 6.170 1.00 0.00 C ATOM 596 CG GLU A 114 11.944 -11.306 6.465 1.00 0.00 C ATOM 597 CD GLU A 114 12.221 -12.134 5.210 1.00 0.00 C ATOM 598 OE1 GLU A 114 13.245 -11.906 4.587 1.00 0.00 O ATOM 599 OE2 GLU A 114 11.405 -12.984 4.893 1.00 0.00 O ATOM 0 H GLU A 114 9.344 -9.591 7.605 1.00 0.00 H new ATOM 0 HA GLU A 114 11.540 -9.154 8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 114 12.022 -9.617 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 114 13.258 -9.592 6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 114 12.578 -11.645 7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.911 -11.443 6.784 1.00 0.00 H new ATOM 606 N LYS A 115 12.336 -6.822 7.527 1.00 0.00 N ATOM 607 CA LYS A 115 12.602 -5.377 7.279 1.00 0.00 C ATOM 608 C LYS A 115 13.007 -5.169 5.818 1.00 0.00 C ATOM 609 O LYS A 115 14.136 -5.404 5.437 1.00 0.00 O ATOM 610 CB LYS A 115 13.732 -4.903 8.195 1.00 0.00 C ATOM 611 CG LYS A 115 14.971 -5.773 7.975 1.00 0.00 C ATOM 612 CD LYS A 115 15.626 -6.078 9.325 1.00 0.00 C ATOM 613 CE LYS A 115 16.631 -4.976 9.667 1.00 0.00 C ATOM 614 NZ LYS A 115 17.910 -5.232 8.946 1.00 0.00 N ATOM 0 H LYS A 115 12.813 -7.218 8.337 1.00 0.00 H new ATOM 0 HA LYS A 115 11.699 -4.803 7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.967 -3.859 7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.417 -4.959 9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.693 -6.701 7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.678 -5.260 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.865 -6.145 10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.129 -7.044 9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.230 -4.002 9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.806 -4.949 10.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 18.461 -4.352 8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 18.458 -5.953 9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.705 -5.570 7.984 1.00 0.00 H new ATOM 628 N LEU A 116 12.093 -4.725 4.997 1.00 0.00 N ATOM 629 CA LEU A 116 12.431 -4.496 3.564 1.00 0.00 C ATOM 630 C LEU A 116 13.560 -3.471 3.470 1.00 0.00 C ATOM 631 O LEU A 116 13.518 -2.433 4.099 1.00 0.00 O ATOM 632 CB LEU A 116 11.209 -3.946 2.823 1.00 0.00 C ATOM 633 CG LEU A 116 10.028 -4.905 2.967 1.00 0.00 C ATOM 634 CD1 LEU A 116 8.912 -4.479 2.009 1.00 0.00 C ATOM 635 CD2 LEU A 116 10.476 -6.328 2.626 1.00 0.00 C ATOM 0 H LEU A 116 11.130 -4.512 5.257 1.00 0.00 H new ATOM 0 HA LEU A 116 12.739 -5.440 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 116 10.943 -2.967 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.447 -3.806 1.768 1.00 0.00 H new ATOM 0 HG LEU A 116 9.661 -4.879 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.067 -5.161 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.591 -3.466 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.282 -4.507 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.632 -7.010 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.843 -6.358 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.273 -6.631 3.305 1.00 0.00 H new ATOM 647 N THR A 117 14.562 -3.740 2.680 1.00 0.00 N ATOM 648 CA THR A 117 15.673 -2.759 2.547 1.00 0.00 C ATOM 649 C THR A 117 15.156 -1.549 1.763 1.00 0.00 C ATOM 650 O THR A 117 14.012 -1.514 1.364 1.00 0.00 O ATOM 651 CB THR A 117 16.858 -3.402 1.814 1.00 0.00 C ATOM 652 OG1 THR A 117 17.705 -2.385 1.294 1.00 0.00 O ATOM 653 CG2 THR A 117 16.342 -4.279 0.677 1.00 0.00 C ATOM 0 H THR A 117 14.659 -4.590 2.125 1.00 0.00 H new ATOM 0 HA THR A 117 16.015 -2.443 3.533 1.00 0.00 H new ATOM 0 HB THR A 117 17.425 -4.018 2.512 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.462 -2.797 0.828 1.00 0.00 H new ATOM 0 HG21 THR A 117 17.185 -4.735 0.158 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.700 -5.061 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.772 -3.669 -0.023 1.00 0.00 H new ATOM 661 N ASP A 118 15.970 -0.553 1.549 1.00 0.00 N ATOM 662 CA ASP A 118 15.488 0.642 0.797 1.00 0.00 C ATOM 663 C ASP A 118 15.047 0.230 -0.609 1.00 0.00 C ATOM 664 O ASP A 118 13.893 0.355 -0.971 1.00 0.00 O ATOM 665 CB ASP A 118 16.611 1.671 0.702 1.00 0.00 C ATOM 666 CG ASP A 118 16.541 2.623 1.896 1.00 0.00 C ATOM 667 OD1 ASP A 118 15.451 2.820 2.407 1.00 0.00 O ATOM 668 OD2 ASP A 118 17.577 3.138 2.279 1.00 0.00 O ATOM 0 H ASP A 118 16.941 -0.513 1.859 1.00 0.00 H new ATOM 0 HA ASP A 118 14.639 1.078 1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.578 1.168 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.525 2.232 -0.228 1.00 0.00 H new ATOM 673 N GLU A 119 15.956 -0.256 -1.407 1.00 0.00 N ATOM 674 CA GLU A 119 15.596 -0.672 -2.793 1.00 0.00 C ATOM 675 C GLU A 119 14.377 -1.591 -2.761 1.00 0.00 C ATOM 676 O GLU A 119 13.482 -1.490 -3.577 1.00 0.00 O ATOM 677 CB GLU A 119 16.772 -1.421 -3.421 1.00 0.00 C ATOM 678 CG GLU A 119 17.324 -2.441 -2.422 1.00 0.00 C ATOM 679 CD GLU A 119 18.853 -2.426 -2.470 1.00 0.00 C ATOM 680 OE1 GLU A 119 19.392 -1.755 -3.335 1.00 0.00 O ATOM 681 OE2 GLU A 119 19.459 -3.084 -1.639 1.00 0.00 O ATOM 0 H GLU A 119 16.937 -0.384 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 119 15.364 0.215 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.450 -1.926 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.554 -0.717 -3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.979 -2.204 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.952 -3.437 -2.660 1.00 0.00 H new ATOM 688 N GLU A 120 14.349 -2.493 -1.831 1.00 0.00 N ATOM 689 CA GLU A 120 13.204 -3.444 -1.733 1.00 0.00 C ATOM 690 C GLU A 120 11.909 -2.682 -1.442 1.00 0.00 C ATOM 691 O GLU A 120 10.848 -3.057 -1.895 1.00 0.00 O ATOM 692 CB GLU A 120 13.465 -4.442 -0.604 1.00 0.00 C ATOM 693 CG GLU A 120 12.185 -5.226 -0.324 1.00 0.00 C ATOM 694 CD GLU A 120 11.796 -6.029 -1.567 1.00 0.00 C ATOM 695 OE1 GLU A 120 12.575 -6.879 -1.965 1.00 0.00 O ATOM 696 OE2 GLU A 120 10.728 -5.776 -2.100 1.00 0.00 O ATOM 0 H GLU A 120 15.074 -2.618 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 120 13.103 -3.974 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.270 -5.123 -0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.788 -3.917 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.334 -5.896 0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.380 -4.543 -0.052 1.00 0.00 H new ATOM 703 N VAL A 121 11.984 -1.630 -0.678 1.00 0.00 N ATOM 704 CA VAL A 121 10.754 -0.851 -0.346 1.00 0.00 C ATOM 705 C VAL A 121 10.282 -0.083 -1.583 1.00 0.00 C ATOM 706 O VAL A 121 9.220 -0.338 -2.115 1.00 0.00 O ATOM 707 CB VAL A 121 11.063 0.133 0.786 1.00 0.00 C ATOM 708 CG1 VAL A 121 9.951 1.180 0.877 1.00 0.00 C ATOM 709 CG2 VAL A 121 11.143 -0.628 2.111 1.00 0.00 C ATOM 0 H VAL A 121 12.846 -1.273 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 121 9.967 -1.534 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 121 12.013 0.627 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.174 1.879 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.885 1.723 -0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.001 0.685 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.363 0.070 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 121 10.190 -1.120 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.933 -1.377 2.053 1.00 0.00 H new ATOM 719 N ASP A 122 11.057 0.859 -2.044 1.00 0.00 N ATOM 720 CA ASP A 122 10.640 1.634 -3.246 1.00 0.00 C ATOM 721 C ASP A 122 10.197 0.663 -4.340 1.00 0.00 C ATOM 722 O ASP A 122 9.339 0.969 -5.142 1.00 0.00 O ATOM 723 CB ASP A 122 11.818 2.473 -3.748 1.00 0.00 C ATOM 724 CG ASP A 122 12.084 3.619 -2.770 1.00 0.00 C ATOM 725 OD1 ASP A 122 11.470 4.662 -2.926 1.00 0.00 O ATOM 726 OD2 ASP A 122 12.898 3.435 -1.879 1.00 0.00 O ATOM 0 H ASP A 122 11.956 1.125 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 122 9.813 2.295 -2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.707 1.850 -3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 122 11.599 2.870 -4.739 1.00 0.00 H new ATOM 731 N GLU A 123 10.771 -0.511 -4.374 1.00 0.00 N ATOM 732 CA GLU A 123 10.374 -1.502 -5.413 1.00 0.00 C ATOM 733 C GLU A 123 9.013 -2.098 -5.045 1.00 0.00 C ATOM 734 O GLU A 123 8.171 -2.317 -5.895 1.00 0.00 O ATOM 735 CB GLU A 123 11.420 -2.616 -5.487 1.00 0.00 C ATOM 736 CG GLU A 123 11.354 -3.287 -6.861 1.00 0.00 C ATOM 737 CD GLU A 123 12.652 -3.017 -7.625 1.00 0.00 C ATOM 738 OE1 GLU A 123 12.710 -2.016 -8.320 1.00 0.00 O ATOM 739 OE2 GLU A 123 13.565 -3.816 -7.503 1.00 0.00 O ATOM 0 H GLU A 123 11.496 -0.824 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 123 10.307 -1.009 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.416 -2.206 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 123 11.240 -3.351 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 123 11.204 -4.361 -6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 123 10.502 -2.904 -7.424 1.00 0.00 H new ATOM 746 N MET A 124 8.784 -2.348 -3.784 1.00 0.00 N ATOM 747 CA MET A 124 7.473 -2.910 -3.362 1.00 0.00 C ATOM 748 C MET A 124 6.396 -1.869 -3.647 1.00 0.00 C ATOM 749 O MET A 124 5.236 -2.182 -3.825 1.00 0.00 O ATOM 750 CB MET A 124 7.505 -3.236 -1.872 1.00 0.00 C ATOM 751 CG MET A 124 8.298 -4.524 -1.651 1.00 0.00 C ATOM 752 SD MET A 124 7.152 -5.919 -1.511 1.00 0.00 S ATOM 753 CE MET A 124 7.935 -6.984 -2.748 1.00 0.00 C ATOM 0 H MET A 124 9.450 -2.186 -3.029 1.00 0.00 H new ATOM 0 HA MET A 124 7.261 -3.828 -3.910 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.962 -2.415 -1.319 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.490 -3.351 -1.492 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.987 -4.687 -2.480 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.901 -4.442 -0.747 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.258 -7.797 -3.009 1.00 0.00 H new ATOM 0 HE2 MET A 124 8.161 -6.400 -3.640 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.858 -7.397 -2.341 1.00 0.00 H new ATOM 763 N ILE A 125 6.786 -0.628 -3.708 1.00 0.00 N ATOM 764 CA ILE A 125 5.822 0.455 -4.002 1.00 0.00 C ATOM 765 C ILE A 125 5.619 0.512 -5.512 1.00 0.00 C ATOM 766 O ILE A 125 4.531 0.731 -6.002 1.00 0.00 O ATOM 767 CB ILE A 125 6.398 1.783 -3.521 1.00 0.00 C ATOM 768 CG1 ILE A 125 6.350 1.825 -1.987 1.00 0.00 C ATOM 769 CG2 ILE A 125 5.572 2.932 -4.106 1.00 0.00 C ATOM 770 CD1 ILE A 125 6.375 3.277 -1.495 1.00 0.00 C ATOM 0 H ILE A 125 7.747 -0.318 -3.564 1.00 0.00 H new ATOM 0 HA ILE A 125 4.874 0.269 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 125 7.432 1.884 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.448 1.328 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.198 1.279 -1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 125 5.980 3.884 -3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.610 2.890 -5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.537 2.841 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.340 3.293 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.290 3.761 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.512 3.811 -1.893 1.00 0.00 H new ATOM 782 N ARG A 126 6.677 0.321 -6.243 1.00 0.00 N ATOM 783 CA ARG A 126 6.593 0.361 -7.730 1.00 0.00 C ATOM 784 C ARG A 126 5.418 -0.494 -8.214 1.00 0.00 C ATOM 785 O ARG A 126 4.836 -0.226 -9.246 1.00 0.00 O ATOM 786 CB ARG A 126 7.894 -0.184 -8.323 1.00 0.00 C ATOM 787 CG ARG A 126 8.605 0.925 -9.103 1.00 0.00 C ATOM 788 CD ARG A 126 9.389 0.309 -10.263 1.00 0.00 C ATOM 789 NE ARG A 126 8.488 0.151 -11.441 1.00 0.00 N ATOM 790 CZ ARG A 126 8.894 -0.505 -12.495 1.00 0.00 C ATOM 791 NH1 ARG A 126 9.851 -1.385 -12.390 1.00 0.00 N ATOM 792 NH2 ARG A 126 8.339 -0.283 -13.654 1.00 0.00 N ATOM 0 H ARG A 126 7.609 0.136 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 126 6.440 1.391 -8.052 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.541 -0.556 -7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 126 7.681 -1.027 -8.981 1.00 0.00 H new ATOM 0 HG2 ARG A 126 7.877 1.642 -9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.279 1.473 -8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.236 0.944 -10.522 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.795 -0.659 -9.969 1.00 0.00 H new ATOM 0 HE ARG A 126 7.552 0.556 -11.424 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.284 -1.562 -11.484 1.00 0.00 H new ATOM 0 HH12 ARG A 126 10.166 -1.896 -13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 126 7.588 0.403 -13.737 1.00 0.00 H new ATOM 0 HH22 ARG A 126 8.656 -0.795 -14.477 1.00 0.00 H new ATOM 806 N GLU A 127 5.054 -1.516 -7.484 1.00 0.00 N ATOM 807 CA GLU A 127 3.909 -2.363 -7.926 1.00 0.00 C ATOM 808 C GLU A 127 2.610 -1.661 -7.546 1.00 0.00 C ATOM 809 O GLU A 127 1.639 -1.680 -8.274 1.00 0.00 O ATOM 810 CB GLU A 127 3.977 -3.736 -7.248 1.00 0.00 C ATOM 811 CG GLU A 127 4.264 -3.563 -5.756 1.00 0.00 C ATOM 812 CD GLU A 127 4.011 -4.887 -5.029 1.00 0.00 C ATOM 813 OE1 GLU A 127 4.302 -5.922 -5.605 1.00 0.00 O ATOM 814 OE2 GLU A 127 3.529 -4.841 -3.909 1.00 0.00 O ATOM 0 H GLU A 127 5.496 -1.798 -6.609 1.00 0.00 H new ATOM 0 HA GLU A 127 3.952 -2.508 -9.005 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.036 -4.268 -7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.757 -4.342 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.296 -3.246 -5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.628 -2.781 -5.341 1.00 0.00 H new ATOM 821 N ALA A 128 2.599 -1.025 -6.409 1.00 0.00 N ATOM 822 CA ALA A 128 1.380 -0.299 -5.966 1.00 0.00 C ATOM 823 C ALA A 128 1.294 1.039 -6.711 1.00 0.00 C ATOM 824 O ALA A 128 0.311 1.748 -6.624 1.00 0.00 O ATOM 825 CB ALA A 128 1.479 -0.042 -4.463 1.00 0.00 C ATOM 0 H ALA A 128 3.388 -0.977 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 128 0.491 -0.891 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.590 0.491 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.555 -0.993 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.363 0.560 -4.254 1.00 0.00 H new ATOM 831 N ASP A 129 2.321 1.386 -7.441 1.00 0.00 N ATOM 832 CA ASP A 129 2.308 2.672 -8.194 1.00 0.00 C ATOM 833 C ASP A 129 1.976 2.394 -9.662 1.00 0.00 C ATOM 834 O ASP A 129 2.385 1.396 -10.222 1.00 0.00 O ATOM 835 CB ASP A 129 3.689 3.327 -8.100 1.00 0.00 C ATOM 836 CG ASP A 129 3.554 4.725 -7.494 1.00 0.00 C ATOM 837 OD1 ASP A 129 2.484 5.298 -7.610 1.00 0.00 O ATOM 838 OD2 ASP A 129 4.524 5.198 -6.926 1.00 0.00 O ATOM 0 H ASP A 129 3.170 0.832 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 129 1.558 3.339 -7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.351 2.716 -7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.140 3.391 -9.090 1.00 0.00 H new ATOM 843 N ILE A 130 1.234 3.264 -10.289 1.00 0.00 N ATOM 844 CA ILE A 130 0.874 3.045 -11.713 1.00 0.00 C ATOM 845 C ILE A 130 1.863 3.782 -12.612 1.00 0.00 C ATOM 846 O ILE A 130 2.262 3.295 -13.649 1.00 0.00 O ATOM 847 CB ILE A 130 -0.530 3.588 -11.949 1.00 0.00 C ATOM 848 CG1 ILE A 130 -1.483 2.973 -10.926 1.00 0.00 C ATOM 849 CG2 ILE A 130 -0.991 3.231 -13.364 1.00 0.00 C ATOM 850 CD1 ILE A 130 -2.873 3.590 -11.089 1.00 0.00 C ATOM 0 H ILE A 130 0.862 4.118 -9.874 1.00 0.00 H new ATOM 0 HA ILE A 130 0.907 1.980 -11.945 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.526 4.673 -11.840 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.534 1.893 -11.064 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -1.112 3.148 -9.916 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.995 3.621 -13.529 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.308 3.670 -14.091 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.999 2.147 -13.482 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -3.554 3.151 -10.359 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -2.814 4.667 -10.929 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -3.243 3.392 -12.095 1.00 0.00 H new ATOM 862 N ASP A 131 2.253 4.959 -12.221 1.00 0.00 N ATOM 863 CA ASP A 131 3.211 5.741 -13.053 1.00 0.00 C ATOM 864 C ASP A 131 4.638 5.533 -12.541 1.00 0.00 C ATOM 865 O ASP A 131 5.555 5.330 -13.313 1.00 0.00 O ATOM 866 CB ASP A 131 2.855 7.227 -12.980 1.00 0.00 C ATOM 867 CG ASP A 131 2.571 7.754 -14.388 1.00 0.00 C ATOM 868 OD1 ASP A 131 1.851 7.090 -15.115 1.00 0.00 O ATOM 869 OD2 ASP A 131 3.081 8.813 -14.716 1.00 0.00 O ATOM 0 H ASP A 131 1.951 5.416 -11.361 1.00 0.00 H new ATOM 0 HA ASP A 131 3.148 5.400 -14.086 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.982 7.372 -12.343 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.675 7.786 -12.529 1.00 0.00 H new ATOM 874 N GLY A 132 4.845 5.588 -11.252 1.00 0.00 N ATOM 875 CA GLY A 132 6.221 5.400 -10.719 1.00 0.00 C ATOM 876 C GLY A 132 6.703 6.711 -10.100 1.00 0.00 C ATOM 877 O GLY A 132 7.848 7.093 -10.238 1.00 0.00 O ATOM 0 H GLY A 132 4.124 5.754 -10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.229 4.606 -9.972 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.895 5.092 -11.519 1.00 0.00 H new ATOM 881 N ASP A 133 5.835 7.401 -9.413 1.00 0.00 N ATOM 882 CA ASP A 133 6.242 8.686 -8.781 1.00 0.00 C ATOM 883 C ASP A 133 7.003 8.382 -7.500 1.00 0.00 C ATOM 884 O ASP A 133 7.810 9.163 -7.036 1.00 0.00 O ATOM 885 CB ASP A 133 5.005 9.512 -8.444 1.00 0.00 C ATOM 886 CG ASP A 133 3.913 8.605 -7.876 1.00 0.00 C ATOM 887 OD1 ASP A 133 4.219 7.822 -6.992 1.00 0.00 O ATOM 888 OD2 ASP A 133 2.786 8.707 -8.335 1.00 0.00 O ATOM 0 H ASP A 133 4.863 7.131 -9.262 1.00 0.00 H new ATOM 0 HA ASP A 133 6.872 9.248 -9.470 1.00 0.00 H new ATOM 0 HB2 ASP A 133 5.260 10.286 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.641 10.019 -9.338 1.00 0.00 H new ATOM 893 N GLY A 134 6.754 7.244 -6.938 1.00 0.00 N ATOM 894 CA GLY A 134 7.464 6.856 -5.684 1.00 0.00 C ATOM 895 C GLY A 134 6.461 6.694 -4.539 1.00 0.00 C ATOM 896 O GLY A 134 6.604 5.831 -3.699 1.00 0.00 O ATOM 0 H GLY A 134 6.087 6.556 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 134 8.006 5.923 -5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.203 7.615 -5.426 1.00 0.00 H new ATOM 900 N GLN A 135 5.449 7.516 -4.494 1.00 0.00 N ATOM 901 CA GLN A 135 4.446 7.396 -3.398 1.00 0.00 C ATOM 902 C GLN A 135 3.230 6.625 -3.914 1.00 0.00 C ATOM 903 O GLN A 135 3.094 6.386 -5.097 1.00 0.00 O ATOM 904 CB GLN A 135 4.011 8.797 -2.940 1.00 0.00 C ATOM 905 CG GLN A 135 3.051 9.404 -3.966 1.00 0.00 C ATOM 906 CD GLN A 135 3.646 10.701 -4.516 1.00 0.00 C ATOM 907 OE1 GLN A 135 4.674 10.686 -5.165 1.00 0.00 O ATOM 908 NE2 GLN A 135 3.040 11.832 -4.284 1.00 0.00 N ATOM 0 H GLN A 135 5.273 8.263 -5.166 1.00 0.00 H new ATOM 0 HA GLN A 135 4.887 6.865 -2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.526 8.737 -1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.884 9.438 -2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 135 2.876 8.698 -4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.085 9.602 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.177 11.846 -3.740 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.428 12.703 -4.647 1.00 0.00 H new ATOM 917 N VAL A 136 2.337 6.251 -3.044 1.00 0.00 N ATOM 918 CA VAL A 136 1.129 5.519 -3.499 1.00 0.00 C ATOM 919 C VAL A 136 -0.105 6.227 -2.946 1.00 0.00 C ATOM 920 O VAL A 136 -0.017 7.006 -2.023 1.00 0.00 O ATOM 921 CB VAL A 136 1.172 4.084 -2.976 1.00 0.00 C ATOM 922 CG1 VAL A 136 -0.187 3.419 -3.206 1.00 0.00 C ATOM 923 CG2 VAL A 136 2.261 3.301 -3.718 1.00 0.00 C ATOM 0 H VAL A 136 2.392 6.421 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 136 1.093 5.500 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 136 1.397 4.091 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.159 2.395 -2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.959 3.977 -2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.412 3.411 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 136 2.291 2.277 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.039 3.292 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.228 3.776 -3.552 1.00 0.00 H new ATOM 933 N ASN A 137 -1.254 5.963 -3.491 1.00 0.00 N ATOM 934 CA ASN A 137 -2.479 6.626 -2.965 1.00 0.00 C ATOM 935 C ASN A 137 -3.602 5.610 -2.896 1.00 0.00 C ATOM 936 O ASN A 137 -3.402 4.424 -3.068 1.00 0.00 O ATOM 937 CB ASN A 137 -2.922 7.774 -3.875 1.00 0.00 C ATOM 938 CG ASN A 137 -1.746 8.261 -4.705 1.00 0.00 C ATOM 939 OD1 ASN A 137 -1.798 8.264 -5.918 1.00 0.00 O ATOM 940 ND2 ASN A 137 -0.679 8.673 -4.095 1.00 0.00 N ATOM 0 H ASN A 137 -1.401 5.323 -4.271 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.252 7.026 -1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.727 7.440 -4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.318 8.593 -3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.122 9.002 -4.634 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -0.640 8.668 -3.076 1.00 0.00 H new ATOM 947 N TYR A 138 -4.786 6.069 -2.654 1.00 0.00 N ATOM 948 CA TYR A 138 -5.934 5.136 -2.575 1.00 0.00 C ATOM 949 C TYR A 138 -6.366 4.730 -3.984 1.00 0.00 C ATOM 950 O TYR A 138 -6.786 3.614 -4.213 1.00 0.00 O ATOM 951 CB TYR A 138 -7.097 5.816 -1.865 1.00 0.00 C ATOM 952 CG TYR A 138 -8.268 4.875 -1.857 1.00 0.00 C ATOM 953 CD1 TYR A 138 -8.226 3.727 -1.063 1.00 0.00 C ATOM 954 CD2 TYR A 138 -9.387 5.140 -2.651 1.00 0.00 C ATOM 955 CE1 TYR A 138 -9.307 2.840 -1.059 1.00 0.00 C ATOM 956 CE2 TYR A 138 -10.472 4.254 -2.649 1.00 0.00 C ATOM 957 CZ TYR A 138 -10.431 3.102 -1.853 1.00 0.00 C ATOM 958 OH TYR A 138 -11.498 2.229 -1.849 1.00 0.00 O ATOM 0 H TYR A 138 -5.012 7.053 -2.507 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.637 4.248 -2.018 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.816 6.079 -0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.360 6.744 -2.373 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.359 3.524 -0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.415 6.027 -3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.275 1.953 -0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.339 4.459 -3.260 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.194 2.561 -2.454 1.00 0.00 H new ATOM 968 N GLU A 139 -6.271 5.623 -4.927 1.00 0.00 N ATOM 969 CA GLU A 139 -6.677 5.279 -6.317 1.00 0.00 C ATOM 970 C GLU A 139 -5.747 4.193 -6.862 1.00 0.00 C ATOM 971 O GLU A 139 -6.188 3.189 -7.384 1.00 0.00 O ATOM 972 CB GLU A 139 -6.588 6.527 -7.200 1.00 0.00 C ATOM 973 CG GLU A 139 -7.908 7.296 -7.132 1.00 0.00 C ATOM 974 CD GLU A 139 -7.645 8.726 -6.657 1.00 0.00 C ATOM 975 OE1 GLU A 139 -6.743 8.908 -5.857 1.00 0.00 O ATOM 976 OE2 GLU A 139 -8.352 9.617 -7.102 1.00 0.00 O ATOM 0 H GLU A 139 -5.930 6.575 -4.796 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.703 4.911 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -5.767 7.163 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.374 6.242 -8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.384 7.310 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.597 6.797 -6.451 1.00 0.00 H new ATOM 983 N GLU A 140 -4.463 4.384 -6.740 1.00 0.00 N ATOM 984 CA GLU A 140 -3.507 3.360 -7.247 1.00 0.00 C ATOM 985 C GLU A 140 -3.596 2.106 -6.372 1.00 0.00 C ATOM 986 O GLU A 140 -3.547 0.993 -6.856 1.00 0.00 O ATOM 987 CB GLU A 140 -2.085 3.922 -7.191 1.00 0.00 C ATOM 988 CG GLU A 140 -2.085 5.361 -7.712 1.00 0.00 C ATOM 989 CD GLU A 140 -0.680 5.733 -8.187 1.00 0.00 C ATOM 990 OE1 GLU A 140 0.125 6.113 -7.352 1.00 0.00 O ATOM 991 OE2 GLU A 140 -0.431 5.633 -9.377 1.00 0.00 O ATOM 0 H GLU A 140 -4.034 5.204 -6.311 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.756 3.104 -8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.712 3.894 -6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.415 3.306 -7.791 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.796 5.462 -8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.407 6.044 -6.925 1.00 0.00 H new ATOM 998 N PHE A 141 -3.727 2.283 -5.085 1.00 0.00 N ATOM 999 CA PHE A 141 -3.821 1.111 -4.172 1.00 0.00 C ATOM 1000 C PHE A 141 -5.121 0.348 -4.440 1.00 0.00 C ATOM 1001 O PHE A 141 -5.231 -0.829 -4.157 1.00 0.00 O ATOM 1002 CB PHE A 141 -3.820 1.621 -2.733 1.00 0.00 C ATOM 1003 CG PHE A 141 -4.072 0.483 -1.776 1.00 0.00 C ATOM 1004 CD1 PHE A 141 -5.384 0.130 -1.436 1.00 0.00 C ATOM 1005 CD2 PHE A 141 -2.992 -0.208 -1.216 1.00 0.00 C ATOM 1006 CE1 PHE A 141 -5.616 -0.915 -0.535 1.00 0.00 C ATOM 1007 CE2 PHE A 141 -3.224 -1.252 -0.313 1.00 0.00 C ATOM 1008 CZ PHE A 141 -4.535 -1.605 0.027 1.00 0.00 C ATOM 0 H PHE A 141 -3.773 3.193 -4.626 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.977 0.441 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -2.863 2.091 -2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.587 2.386 -2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -6.217 0.664 -1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.981 0.064 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.627 -1.189 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.391 -1.785 0.121 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.713 -2.411 0.724 1.00 0.00 H new ATOM 1018 N VAL A 142 -6.109 1.009 -4.976 1.00 0.00 N ATOM 1019 CA VAL A 142 -7.404 0.323 -5.252 1.00 0.00 C ATOM 1020 C VAL A 142 -7.234 -0.671 -6.406 1.00 0.00 C ATOM 1021 O VAL A 142 -7.674 -1.801 -6.331 1.00 0.00 O ATOM 1022 CB VAL A 142 -8.462 1.366 -5.622 1.00 0.00 C ATOM 1023 CG1 VAL A 142 -9.684 0.669 -6.222 1.00 0.00 C ATOM 1024 CG2 VAL A 142 -8.884 2.132 -4.366 1.00 0.00 C ATOM 0 H VAL A 142 -6.076 1.995 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.721 -0.219 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.044 2.059 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.435 1.414 -6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.388 0.122 -7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.101 -0.026 -5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.637 2.875 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.300 1.436 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.016 2.632 -3.936 1.00 0.00 H new ATOM 1034 N GLN A 143 -6.610 -0.262 -7.477 1.00 0.00 N ATOM 1035 CA GLN A 143 -6.426 -1.190 -8.630 1.00 0.00 C ATOM 1036 C GLN A 143 -5.419 -2.282 -8.263 1.00 0.00 C ATOM 1037 O GLN A 143 -5.420 -3.355 -8.834 1.00 0.00 O ATOM 1038 CB GLN A 143 -5.912 -0.412 -9.841 1.00 0.00 C ATOM 1039 CG GLN A 143 -6.946 0.637 -10.251 1.00 0.00 C ATOM 1040 CD GLN A 143 -8.179 -0.058 -10.833 1.00 0.00 C ATOM 1041 OE1 GLN A 143 -9.217 -0.107 -10.204 1.00 0.00 O ATOM 1042 NE2 GLN A 143 -8.107 -0.604 -12.017 1.00 0.00 N ATOM 0 H GLN A 143 -6.220 0.672 -7.604 1.00 0.00 H new ATOM 0 HA GLN A 143 -7.384 -1.649 -8.873 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -4.965 0.071 -9.601 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -5.722 -1.094 -10.670 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -7.229 1.240 -9.388 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -6.517 1.316 -10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -7.235 -0.563 -12.545 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -8.922 -1.071 -12.413 1.00 0.00 H new ATOM 1051 N MET A 144 -4.558 -2.020 -7.319 1.00 0.00 N ATOM 1052 CA MET A 144 -3.555 -3.049 -6.924 1.00 0.00 C ATOM 1053 C MET A 144 -4.173 -3.995 -5.894 1.00 0.00 C ATOM 1054 O MET A 144 -3.744 -5.121 -5.734 1.00 0.00 O ATOM 1055 CB MET A 144 -2.330 -2.364 -6.315 1.00 0.00 C ATOM 1056 CG MET A 144 -1.115 -3.283 -6.448 1.00 0.00 C ATOM 1057 SD MET A 144 -1.077 -4.438 -5.055 1.00 0.00 S ATOM 1058 CE MET A 144 0.098 -3.516 -4.033 1.00 0.00 C ATOM 0 H MET A 144 -4.505 -1.140 -6.805 1.00 0.00 H new ATOM 0 HA MET A 144 -3.253 -3.616 -7.805 1.00 0.00 H new ATOM 0 HB2 MET A 144 -2.140 -1.417 -6.820 1.00 0.00 H new ATOM 0 HB3 MET A 144 -2.513 -2.134 -5.265 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.162 -3.832 -7.388 1.00 0.00 H new ATOM 0 HG3 MET A 144 -0.199 -2.692 -6.469 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.273 -4.056 -3.103 1.00 0.00 H new ATOM 0 HE2 MET A 144 1.039 -3.405 -4.571 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.310 -2.530 -3.809 1.00 0.00 H new ATOM 1068 N MET A 145 -5.174 -3.547 -5.190 1.00 0.00 N ATOM 1069 CA MET A 145 -5.812 -4.414 -4.171 1.00 0.00 C ATOM 1070 C MET A 145 -6.844 -5.333 -4.832 1.00 0.00 C ATOM 1071 O MET A 145 -6.831 -6.533 -4.638 1.00 0.00 O ATOM 1072 CB MET A 145 -6.506 -3.547 -3.122 1.00 0.00 C ATOM 1073 CG MET A 145 -7.179 -4.463 -2.109 1.00 0.00 C ATOM 1074 SD MET A 145 -6.438 -4.214 -0.479 1.00 0.00 S ATOM 1075 CE MET A 145 -6.955 -5.791 0.237 1.00 0.00 C ATOM 0 H MET A 145 -5.577 -2.614 -5.279 1.00 0.00 H new ATOM 0 HA MET A 145 -5.043 -5.023 -3.695 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.782 -2.900 -2.626 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.243 -2.898 -3.594 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.248 -4.254 -2.069 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.068 -5.503 -2.415 1.00 0.00 H new ATOM 0 HE1 MET A 145 -6.599 -5.858 1.265 1.00 0.00 H new ATOM 0 HE2 MET A 145 -8.043 -5.857 0.224 1.00 0.00 H new ATOM 0 HE3 MET A 145 -6.535 -6.610 -0.346 1.00 0.00 H new ATOM 1085 N THR A 146 -7.744 -4.785 -5.602 1.00 0.00 N ATOM 1086 CA THR A 146 -8.779 -5.635 -6.259 1.00 0.00 C ATOM 1087 C THR A 146 -8.296 -6.070 -7.647 1.00 0.00 C ATOM 1088 O THR A 146 -8.131 -7.242 -7.917 1.00 0.00 O ATOM 1089 CB THR A 146 -10.078 -4.838 -6.399 1.00 0.00 C ATOM 1090 OG1 THR A 146 -9.812 -3.460 -6.176 1.00 0.00 O ATOM 1091 CG2 THR A 146 -11.099 -5.334 -5.373 1.00 0.00 C ATOM 0 H THR A 146 -7.808 -3.787 -5.805 1.00 0.00 H new ATOM 0 HA THR A 146 -8.955 -6.520 -5.648 1.00 0.00 H new ATOM 0 HB THR A 146 -10.481 -4.974 -7.403 1.00 0.00 H new ATOM 0 HG1 THR A 146 -10.642 -2.948 -6.267 1.00 0.00 H new ATOM 0 HG21 THR A 146 -12.023 -4.765 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 146 -11.303 -6.391 -5.544 1.00 0.00 H new ATOM 0 HG23 THR A 146 -10.699 -5.200 -4.368 1.00 0.00 H new