USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 467 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -142:sc= 1.12 (180deg=-0.589) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.0978 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0739 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -25:sc= 0.347 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 42 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 51 MET CE :methyl 160:sc= -0.211 (180deg=-1.35) USER MOD Single : A 53 SER OG : rot 97:sc= 1.01 USER MOD Single : A 60 ASN : amide:sc= -4.35! C(o=-4.4!,f=-19!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N ILE A 9 -14.742 -6.841 2.771 1.00 0.00 N ATOM 122 CA ILE A 9 -14.352 -5.511 3.220 1.00 0.00 C ATOM 123 C ILE A 9 -13.602 -5.596 4.544 1.00 0.00 C ATOM 124 O ILE A 9 -12.573 -4.944 4.724 1.00 0.00 O ATOM 125 CB ILE A 9 -15.590 -4.612 3.373 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.165 -4.310 1.985 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.195 -3.301 4.065 1.00 0.00 C ATOM 128 CD1 ILE A 9 -17.487 -3.551 2.119 1.00 0.00 C ATOM 0 HA ILE A 9 -13.692 -5.075 2.470 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.340 -5.122 3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.454 -3.719 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.324 -5.239 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.075 -2.666 4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.783 -3.519 5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.446 -2.784 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.888 -3.341 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.200 -4.158 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.316 -2.613 2.648 1.00 0.00 H new ATOM 140 N VAL A 10 -14.112 -6.405 5.468 1.00 0.00 N ATOM 141 CA VAL A 10 -13.458 -6.546 6.761 1.00 0.00 C ATOM 142 C VAL A 10 -12.044 -7.089 6.577 1.00 0.00 C ATOM 143 O VAL A 10 -11.090 -6.549 7.135 1.00 0.00 O ATOM 144 CB VAL A 10 -14.270 -7.483 7.665 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.461 -7.819 8.926 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.581 -6.794 8.071 1.00 0.00 C ATOM 0 H VAL A 10 -14.958 -6.962 5.349 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.400 -5.566 7.234 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.491 -8.402 7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.042 -8.484 9.564 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.531 -8.310 8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.235 -6.901 9.469 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.158 -7.459 8.713 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.357 -5.874 8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.160 -6.559 7.178 1.00 0.00 H new ATOM 156 N ASP A 11 -11.908 -8.145 5.781 1.00 0.00 N ATOM 157 CA ASP A 11 -10.591 -8.716 5.541 1.00 0.00 C ATOM 158 C ASP A 11 -9.717 -7.714 4.791 1.00 0.00 C ATOM 159 O ASP A 11 -8.552 -7.511 5.130 1.00 0.00 O ATOM 160 CB ASP A 11 -10.715 -10.014 4.735 1.00 0.00 C ATOM 161 CG ASP A 11 -9.335 -10.622 4.512 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.362 -9.994 4.893 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.273 -11.714 3.970 1.00 0.00 O ATOM 0 H ASP A 11 -12.677 -8.613 5.301 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.126 -8.943 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.352 -10.722 5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.192 -9.812 3.776 1.00 0.00 H new ATOM 168 N PHE A 12 -10.286 -7.095 3.761 1.00 0.00 N ATOM 169 CA PHE A 12 -9.542 -6.121 2.969 1.00 0.00 C ATOM 170 C PHE A 12 -9.132 -4.943 3.841 1.00 0.00 C ATOM 171 O PHE A 12 -7.977 -4.517 3.822 1.00 0.00 O ATOM 172 CB PHE A 12 -10.395 -5.632 1.783 1.00 0.00 C ATOM 173 CG PHE A 12 -10.287 -6.608 0.626 1.00 0.00 C ATOM 174 CD1 PHE A 12 -10.215 -7.989 0.863 1.00 0.00 C ATOM 175 CD2 PHE A 12 -10.253 -6.129 -0.689 1.00 0.00 C ATOM 176 CE1 PHE A 12 -10.109 -8.879 -0.203 1.00 0.00 C ATOM 177 CE2 PHE A 12 -10.147 -7.025 -1.760 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.077 -8.400 -1.514 1.00 0.00 C ATOM 0 H PHE A 12 -11.248 -7.248 3.458 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.644 -6.600 2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.436 -5.534 2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.061 -4.644 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.242 -8.363 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.309 -5.067 -0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.051 -9.941 -0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.119 -6.655 -2.774 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.998 -9.092 -2.339 1.00 0.00 H new ATOM 188 N LYS A 13 -10.087 -4.416 4.600 1.00 0.00 N ATOM 189 CA LYS A 13 -9.811 -3.282 5.468 1.00 0.00 C ATOM 190 C LYS A 13 -8.779 -3.668 6.521 1.00 0.00 C ATOM 191 O LYS A 13 -7.930 -2.856 6.892 1.00 0.00 O ATOM 192 CB LYS A 13 -11.110 -2.808 6.139 1.00 0.00 C ATOM 193 CG LYS A 13 -10.864 -1.497 6.901 1.00 0.00 C ATOM 194 CD LYS A 13 -12.189 -0.968 7.467 1.00 0.00 C ATOM 195 CE LYS A 13 -11.937 0.347 8.211 1.00 0.00 C ATOM 196 NZ LYS A 13 -13.225 0.867 8.750 1.00 0.00 N ATOM 0 H LYS A 13 -11.049 -4.753 4.631 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.408 -2.465 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.884 -2.660 5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.474 -3.573 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.153 -1.664 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.421 -0.756 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.905 -0.810 6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.627 -1.702 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.228 0.187 9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.490 1.079 7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.055 1.760 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.887 1.034 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.633 0.171 9.406 1.00 0.00 H new ATOM 210 N GLU A 14 -8.835 -4.912 6.986 1.00 0.00 N ATOM 211 CA GLU A 14 -7.876 -5.373 7.981 1.00 0.00 C ATOM 212 C GLU A 14 -6.473 -5.357 7.399 1.00 0.00 C ATOM 213 O GLU A 14 -5.506 -5.024 8.084 1.00 0.00 O ATOM 214 CB GLU A 14 -8.221 -6.786 8.430 1.00 0.00 C ATOM 215 CG GLU A 14 -7.447 -7.125 9.710 1.00 0.00 C ATOM 216 CD GLU A 14 -8.023 -6.346 10.889 1.00 0.00 C ATOM 217 OE1 GLU A 14 -9.043 -5.703 10.703 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.438 -6.403 11.957 1.00 0.00 O ATOM 0 H GLU A 14 -9.522 -5.608 6.696 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.919 -4.703 8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.293 -6.870 8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.972 -7.499 7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.505 -8.195 9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.392 -6.881 9.583 1.00 0.00 H new ATOM 225 N ALA A 15 -6.371 -5.697 6.123 1.00 0.00 N ATOM 226 CA ALA A 15 -5.073 -5.688 5.455 1.00 0.00 C ATOM 227 C ALA A 15 -4.562 -4.258 5.308 1.00 0.00 C ATOM 228 O ALA A 15 -3.363 -4.001 5.443 1.00 0.00 O ATOM 229 CB ALA A 15 -5.162 -6.350 4.076 1.00 0.00 C ATOM 0 H ALA A 15 -7.156 -5.979 5.535 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.375 -6.257 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.182 -6.330 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.490 -7.383 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.877 -5.808 3.458 1.00 0.00 H new ATOM 235 N PHE A 16 -5.473 -3.317 5.040 1.00 0.00 N ATOM 236 CA PHE A 16 -5.090 -1.923 4.891 1.00 0.00 C ATOM 237 C PHE A 16 -4.609 -1.341 6.215 1.00 0.00 C ATOM 238 O PHE A 16 -3.560 -0.704 6.279 1.00 0.00 O ATOM 239 CB PHE A 16 -6.284 -1.112 4.382 1.00 0.00 C ATOM 240 CG PHE A 16 -5.867 0.324 4.180 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.270 0.715 2.979 1.00 0.00 C ATOM 242 CD2 PHE A 16 -6.080 1.265 5.193 1.00 0.00 C ATOM 243 CE1 PHE A 16 -4.885 2.044 2.788 1.00 0.00 C ATOM 244 CE2 PHE A 16 -5.694 2.596 5.003 1.00 0.00 C ATOM 245 CZ PHE A 16 -5.100 2.983 3.797 1.00 0.00 C ATOM 0 H PHE A 16 -6.470 -3.500 4.924 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.272 -1.870 4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.649 -1.531 3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.105 -1.166 5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.106 -0.012 2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.542 0.964 6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.421 2.344 1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.854 3.323 5.785 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.807 4.012 3.647 1.00 0.00 H new ATOM 255 N GLY A 17 -5.388 -1.553 7.273 1.00 0.00 N ATOM 256 CA GLY A 17 -5.019 -1.028 8.580 1.00 0.00 C ATOM 257 C GLY A 17 -3.666 -1.570 9.003 1.00 0.00 C ATOM 258 O GLY A 17 -2.830 -0.835 9.526 1.00 0.00 O ATOM 0 H GLY A 17 -6.264 -2.076 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.988 0.061 8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.775 -1.302 9.316 1.00 0.00 H new ATOM 262 N LEU A 18 -3.447 -2.859 8.768 1.00 0.00 N ATOM 263 CA LEU A 18 -2.183 -3.477 9.128 1.00 0.00 C ATOM 264 C LEU A 18 -1.046 -2.829 8.345 1.00 0.00 C ATOM 265 O LEU A 18 0.047 -2.616 8.870 1.00 0.00 O ATOM 266 CB LEU A 18 -2.243 -4.985 8.825 1.00 0.00 C ATOM 267 CG LEU A 18 -1.014 -5.713 9.397 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.081 -5.736 10.936 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.978 -7.156 8.871 1.00 0.00 C ATOM 0 H LEU A 18 -4.123 -3.488 8.334 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.001 -3.333 10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.152 -5.409 9.251 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.293 -5.141 7.747 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.114 -5.184 9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.207 -6.254 11.331 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.099 -4.714 11.315 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.985 -6.257 11.253 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.107 -7.670 9.277 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.884 -7.678 9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.918 -7.145 7.783 1.00 0.00 H new ATOM 281 N PHE A 19 -1.309 -2.526 7.079 1.00 0.00 N ATOM 282 CA PHE A 19 -0.298 -1.916 6.222 1.00 0.00 C ATOM 283 C PHE A 19 0.006 -0.512 6.674 1.00 0.00 C ATOM 284 O PHE A 19 1.147 -0.052 6.612 1.00 0.00 O ATOM 285 CB PHE A 19 -0.785 -1.911 4.768 1.00 0.00 C ATOM 286 CG PHE A 19 -0.822 -3.330 4.204 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.754 -4.470 5.049 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.924 -3.515 2.813 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.786 -5.746 4.504 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.953 -4.814 2.278 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.884 -5.924 3.127 1.00 0.00 C ATOM 0 H PHE A 19 -2.207 -2.691 6.625 1.00 0.00 H new ATOM 0 HA PHE A 19 0.618 -2.502 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.779 -1.467 4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.126 -1.291 4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.677 -4.343 6.119 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.980 -2.659 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.734 -6.607 5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.029 -4.956 1.210 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.907 -6.921 2.713 1.00 0.00 H new ATOM 301 N ASP A 20 -1.025 0.168 7.122 1.00 0.00 N ATOM 302 CA ASP A 20 -0.879 1.531 7.581 1.00 0.00 C ATOM 303 C ASP A 20 -0.476 1.558 9.052 1.00 0.00 C ATOM 304 O ASP A 20 -1.120 2.206 9.875 1.00 0.00 O ATOM 305 CB ASP A 20 -2.199 2.251 7.367 1.00 0.00 C ATOM 306 CG ASP A 20 -2.145 3.648 7.966 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.055 4.096 8.279 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.193 4.249 8.096 1.00 0.00 O ATOM 0 H ASP A 20 -1.974 -0.201 7.178 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.093 2.033 7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.417 2.314 6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.009 1.683 7.825 1.00 0.00 H new ATOM 313 N LYS A 21 0.575 0.806 9.378 1.00 0.00 N ATOM 314 CA LYS A 21 1.050 0.709 10.758 1.00 0.00 C ATOM 315 C LYS A 21 0.912 2.040 11.499 1.00 0.00 C ATOM 316 O LYS A 21 0.716 2.052 12.715 1.00 0.00 O ATOM 317 CB LYS A 21 2.525 0.281 10.781 1.00 0.00 C ATOM 318 CG LYS A 21 2.692 -1.123 10.184 1.00 0.00 C ATOM 319 CD LYS A 21 2.151 -2.182 11.156 1.00 0.00 C ATOM 320 CE LYS A 21 2.707 -3.554 10.781 1.00 0.00 C ATOM 321 NZ LYS A 21 2.232 -3.927 9.421 1.00 0.00 N ATOM 0 H LYS A 21 1.112 0.257 8.707 1.00 0.00 H new ATOM 0 HA LYS A 21 0.433 -0.036 11.261 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.125 0.995 10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.896 0.292 11.806 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.162 -1.187 9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.745 -1.314 9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.435 -1.931 12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.062 -2.198 11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.797 -3.536 10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.385 -4.300 11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.020 -4.945 9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.372 -3.388 9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.971 -3.709 8.723 1.00 0.00 H new ATOM 335 N ASP A 22 1.019 3.155 10.779 1.00 0.00 N ATOM 336 CA ASP A 22 0.912 4.471 11.408 1.00 0.00 C ATOM 337 C ASP A 22 -0.520 4.762 11.863 1.00 0.00 C ATOM 338 O ASP A 22 -0.735 5.502 12.824 1.00 0.00 O ATOM 339 CB ASP A 22 1.352 5.541 10.411 1.00 0.00 C ATOM 340 CG ASP A 22 2.603 5.075 9.675 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.654 5.046 10.294 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.491 4.748 8.504 1.00 0.00 O ATOM 0 H ASP A 22 1.178 3.175 9.772 1.00 0.00 H new ATOM 0 HA ASP A 22 1.555 4.481 12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.551 5.739 9.698 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.553 6.477 10.932 1.00 0.00 H new ATOM 347 N GLY A 23 -1.494 4.169 11.181 1.00 0.00 N ATOM 348 CA GLY A 23 -2.895 4.368 11.541 1.00 0.00 C ATOM 349 C GLY A 23 -3.429 5.700 11.017 1.00 0.00 C ATOM 350 O GLY A 23 -4.535 6.110 11.372 1.00 0.00 O ATOM 0 H GLY A 23 -1.343 3.552 10.383 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.494 3.552 11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.000 4.335 12.625 1.00 0.00 H new ATOM 354 N ASP A 24 -2.645 6.381 10.188 1.00 0.00 N ATOM 355 CA ASP A 24 -3.071 7.671 9.658 1.00 0.00 C ATOM 356 C ASP A 24 -4.238 7.499 8.693 1.00 0.00 C ATOM 357 O ASP A 24 -4.945 8.456 8.383 1.00 0.00 O ATOM 358 CB ASP A 24 -1.914 8.365 8.940 1.00 0.00 C ATOM 359 CG ASP A 24 -1.578 7.626 7.651 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.946 6.469 7.542 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.952 8.226 6.793 1.00 0.00 O ATOM 0 H ASP A 24 -1.727 6.068 9.873 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.393 8.288 10.497 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.182 9.398 8.717 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.039 8.396 9.589 1.00 0.00 H new ATOM 366 N GLY A 25 -4.434 6.273 8.220 1.00 0.00 N ATOM 367 CA GLY A 25 -5.519 5.982 7.287 1.00 0.00 C ATOM 368 C GLY A 25 -5.032 6.031 5.845 1.00 0.00 C ATOM 369 O GLY A 25 -5.776 5.697 4.924 1.00 0.00 O ATOM 0 H GLY A 25 -3.859 5.467 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.932 4.996 7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.325 6.702 7.426 1.00 0.00 H new ATOM 373 N CYS A 26 -3.784 6.460 5.650 1.00 0.00 N ATOM 374 CA CYS A 26 -3.209 6.561 4.302 1.00 0.00 C ATOM 375 C CYS A 26 -1.871 5.829 4.221 1.00 0.00 C ATOM 376 O CYS A 26 -0.986 6.055 5.045 1.00 0.00 O ATOM 377 CB CYS A 26 -3.008 8.038 3.938 1.00 0.00 C ATOM 378 SG CYS A 26 -4.319 9.030 4.691 1.00 0.00 S ATOM 0 H CYS A 26 -3.154 6.742 6.401 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.899 6.096 3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.033 8.380 4.286 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.021 8.161 2.855 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.147 10.281 4.384 1.00 0.00 H new ATOM 384 N ILE A 27 -1.717 4.969 3.212 1.00 0.00 N ATOM 385 CA ILE A 27 -0.465 4.230 3.028 1.00 0.00 C ATOM 386 C ILE A 27 0.367 4.904 1.941 1.00 0.00 C ATOM 387 O ILE A 27 -0.028 4.917 0.777 1.00 0.00 O ATOM 388 CB ILE A 27 -0.752 2.788 2.587 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.592 2.055 3.636 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.569 2.037 2.405 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.125 0.753 3.030 1.00 0.00 C ATOM 0 H ILE A 27 -2.435 4.768 2.516 1.00 0.00 H new ATOM 0 HA ILE A 27 0.073 4.223 3.976 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.304 2.821 1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.989 1.840 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.420 2.685 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.365 1.013 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.170 2.536 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.114 2.026 3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.725 0.225 3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.742 0.982 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.288 0.124 2.726 1.00 0.00 H new ATOM 403 N THR A 28 1.519 5.455 2.309 1.00 0.00 N ATOM 404 CA THR A 28 2.378 6.108 1.322 1.00 0.00 C ATOM 405 C THR A 28 3.214 5.056 0.603 1.00 0.00 C ATOM 406 O THR A 28 3.296 3.913 1.052 1.00 0.00 O ATOM 407 CB THR A 28 3.299 7.127 1.999 1.00 0.00 C ATOM 408 OG1 THR A 28 3.891 6.541 3.149 1.00 0.00 O ATOM 409 CG2 THR A 28 2.488 8.359 2.407 1.00 0.00 C ATOM 0 H THR A 28 1.877 5.465 3.264 1.00 0.00 H new ATOM 0 HA THR A 28 1.751 6.634 0.602 1.00 0.00 H new ATOM 0 HB THR A 28 4.083 7.427 1.303 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.482 7.193 3.581 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.145 9.084 2.889 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.039 8.809 1.521 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.702 8.063 3.102 1.00 0.00 H new ATOM 417 N VAL A 29 3.829 5.430 -0.513 1.00 0.00 N ATOM 418 CA VAL A 29 4.641 4.477 -1.262 1.00 0.00 C ATOM 419 C VAL A 29 5.756 3.917 -0.383 1.00 0.00 C ATOM 420 O VAL A 29 6.075 2.731 -0.454 1.00 0.00 O ATOM 421 CB VAL A 29 5.242 5.141 -2.505 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.049 6.374 -2.087 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.167 4.145 -3.220 1.00 0.00 C ATOM 0 H VAL A 29 3.784 6.367 -0.914 1.00 0.00 H new ATOM 0 HA VAL A 29 3.996 3.657 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 29 4.440 5.443 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.476 6.846 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.395 7.082 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.851 6.073 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.595 4.617 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.969 3.844 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.595 3.267 -3.518 1.00 0.00 H new ATOM 433 N GLU A 30 6.341 4.768 0.454 1.00 0.00 N ATOM 434 CA GLU A 30 7.406 4.329 1.337 1.00 0.00 C ATOM 435 C GLU A 30 6.894 3.247 2.282 1.00 0.00 C ATOM 436 O GLU A 30 7.578 2.252 2.538 1.00 0.00 O ATOM 437 CB GLU A 30 7.931 5.513 2.146 1.00 0.00 C ATOM 438 CG GLU A 30 8.654 6.490 1.217 1.00 0.00 C ATOM 439 CD GLU A 30 9.152 7.694 2.009 1.00 0.00 C ATOM 440 OE1 GLU A 30 8.412 8.174 2.851 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.270 8.120 1.761 1.00 0.00 O ATOM 0 H GLU A 30 6.096 5.755 0.536 1.00 0.00 H new ATOM 0 HA GLU A 30 8.215 3.918 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.106 6.017 2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.611 5.163 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.493 5.991 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.980 6.819 0.426 1.00 0.00 H new ATOM 448 N GLU A 31 5.675 3.432 2.777 1.00 0.00 N ATOM 449 CA GLU A 31 5.074 2.458 3.671 1.00 0.00 C ATOM 450 C GLU A 31 4.720 1.189 2.906 1.00 0.00 C ATOM 451 O GLU A 31 4.879 0.080 3.415 1.00 0.00 O ATOM 452 CB GLU A 31 3.816 3.044 4.307 1.00 0.00 C ATOM 453 CG GLU A 31 4.197 4.172 5.264 1.00 0.00 C ATOM 454 CD GLU A 31 2.935 4.835 5.794 1.00 0.00 C ATOM 455 OE1 GLU A 31 1.866 4.327 5.501 1.00 0.00 O ATOM 456 OE2 GLU A 31 3.055 5.835 6.485 1.00 0.00 O ATOM 0 H GLU A 31 5.090 4.242 2.574 1.00 0.00 H new ATOM 0 HA GLU A 31 5.791 2.211 4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.148 3.422 3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.273 2.266 4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.788 3.778 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.818 4.906 4.750 1.00 0.00 H new ATOM 463 N LEU A 32 4.246 1.353 1.677 1.00 0.00 N ATOM 464 CA LEU A 32 3.892 0.192 0.876 1.00 0.00 C ATOM 465 C LEU A 32 5.148 -0.651 0.683 1.00 0.00 C ATOM 466 O LEU A 32 5.123 -1.871 0.839 1.00 0.00 O ATOM 467 CB LEU A 32 3.314 0.635 -0.487 1.00 0.00 C ATOM 468 CG LEU A 32 2.359 -0.436 -1.058 1.00 0.00 C ATOM 469 CD1 LEU A 32 3.032 -1.810 -1.042 1.00 0.00 C ATOM 470 CD2 LEU A 32 1.059 -0.490 -0.229 1.00 0.00 C ATOM 0 H LEU A 32 4.101 2.255 1.224 1.00 0.00 H new ATOM 0 HA LEU A 32 3.126 -0.396 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.780 1.578 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.127 0.814 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 32 2.117 -0.168 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.347 -2.555 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.936 -1.779 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.292 -2.076 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.395 -1.249 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.297 -0.740 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.565 0.481 -0.263 1.00 0.00 H new ATOM 482 N ALA A 33 6.248 0.011 0.351 1.00 0.00 N ATOM 483 CA ALA A 33 7.505 -0.692 0.149 1.00 0.00 C ATOM 484 C ALA A 33 7.876 -1.463 1.410 1.00 0.00 C ATOM 485 O ALA A 33 8.309 -2.610 1.341 1.00 0.00 O ATOM 486 CB ALA A 33 8.614 0.302 -0.198 1.00 0.00 C ATOM 0 H ALA A 33 6.295 1.021 0.217 1.00 0.00 H new ATOM 0 HA ALA A 33 7.388 -1.393 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.551 -0.235 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.352 0.835 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.731 1.016 0.617 1.00 0.00 H new ATOM 492 N THR A 34 7.673 -0.841 2.565 1.00 0.00 N ATOM 493 CA THR A 34 7.968 -1.507 3.829 1.00 0.00 C ATOM 494 C THR A 34 7.081 -2.747 3.978 1.00 0.00 C ATOM 495 O THR A 34 7.557 -3.807 4.384 1.00 0.00 O ATOM 496 CB THR A 34 7.773 -0.534 5.007 1.00 0.00 C ATOM 497 OG1 THR A 34 8.895 0.337 5.069 1.00 0.00 O ATOM 498 CG2 THR A 34 7.652 -1.298 6.334 1.00 0.00 C ATOM 0 H THR A 34 7.311 0.109 2.654 1.00 0.00 H new ATOM 0 HA THR A 34 9.010 -1.827 3.834 1.00 0.00 H new ATOM 0 HB THR A 34 6.855 0.032 4.850 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.782 0.963 5.814 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.515 -0.589 7.151 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.795 -1.971 6.290 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.560 -1.877 6.505 1.00 0.00 H new ATOM 506 N VAL A 35 5.793 -2.619 3.649 1.00 0.00 N ATOM 507 CA VAL A 35 4.889 -3.766 3.753 1.00 0.00 C ATOM 508 C VAL A 35 5.279 -4.846 2.748 1.00 0.00 C ATOM 509 O VAL A 35 5.387 -6.024 3.096 1.00 0.00 O ATOM 510 CB VAL A 35 3.427 -3.340 3.539 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.535 -4.589 3.493 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.986 -2.463 4.712 1.00 0.00 C ATOM 0 H VAL A 35 5.361 -1.757 3.317 1.00 0.00 H new ATOM 0 HA VAL A 35 4.979 -4.175 4.760 1.00 0.00 H new ATOM 0 HB VAL A 35 3.340 -2.788 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.498 -4.290 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.851 -5.232 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.622 -5.133 4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.950 -2.157 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.072 -3.027 5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.622 -1.579 4.765 1.00 0.00 H new ATOM 522 N ILE A 36 5.507 -4.441 1.507 1.00 0.00 N ATOM 523 CA ILE A 36 5.902 -5.388 0.476 1.00 0.00 C ATOM 524 C ILE A 36 7.287 -5.939 0.782 1.00 0.00 C ATOM 525 O ILE A 36 7.556 -7.118 0.559 1.00 0.00 O ATOM 526 CB ILE A 36 5.872 -4.725 -0.915 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.415 -4.662 -1.420 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.726 -5.533 -1.912 1.00 0.00 C ATOM 529 CD1 ILE A 36 4.017 -5.998 -2.073 1.00 0.00 C ATOM 0 H ILE A 36 5.426 -3.474 1.192 1.00 0.00 H new ATOM 0 HA ILE A 36 5.191 -6.214 0.468 1.00 0.00 H new ATOM 0 HB ILE A 36 6.281 -3.718 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.744 -4.441 -0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.307 -3.851 -2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.695 -5.053 -2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.757 -5.573 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.331 -6.546 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.987 -5.939 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.677 -6.202 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.105 -6.801 -1.341 1.00 0.00 H new ATOM 541 N ARG A 37 8.163 -5.077 1.278 1.00 0.00 N ATOM 542 CA ARG A 37 9.515 -5.492 1.608 1.00 0.00 C ATOM 543 C ARG A 37 9.496 -6.617 2.633 1.00 0.00 C ATOM 544 O ARG A 37 10.267 -7.568 2.537 1.00 0.00 O ATOM 545 CB ARG A 37 10.302 -4.298 2.159 1.00 0.00 C ATOM 546 CG ARG A 37 11.664 -4.768 2.670 1.00 0.00 C ATOM 547 CD ARG A 37 12.500 -3.562 3.077 1.00 0.00 C ATOM 548 NE ARG A 37 12.923 -2.819 1.899 1.00 0.00 N ATOM 549 CZ ARG A 37 13.422 -1.595 2.011 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.532 -1.045 3.188 1.00 0.00 N ATOM 551 NH2 ARG A 37 13.800 -0.943 0.946 1.00 0.00 N ATOM 0 H ARG A 37 7.962 -4.093 1.459 1.00 0.00 H new ATOM 0 HA ARG A 37 9.998 -5.858 0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.435 -3.547 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.744 -3.824 2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.534 -5.437 3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.179 -5.335 1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.920 -2.914 3.735 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.373 -3.890 3.641 1.00 0.00 H new ATOM 0 HE ARG A 37 12.835 -3.245 0.976 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.235 -1.556 4.019 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.915 -0.104 3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.712 -1.374 0.026 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.184 -0.002 1.033 1.00 0.00 H new ATOM 565 N SER A 38 8.617 -6.497 3.616 1.00 0.00 N ATOM 566 CA SER A 38 8.510 -7.516 4.657 1.00 0.00 C ATOM 567 C SER A 38 7.564 -8.624 4.225 1.00 0.00 C ATOM 568 O SER A 38 7.507 -9.680 4.851 1.00 0.00 O ATOM 569 CB SER A 38 7.989 -6.892 5.948 1.00 0.00 C ATOM 570 OG SER A 38 7.973 -7.885 6.968 1.00 0.00 O ATOM 0 H SER A 38 7.972 -5.714 3.718 1.00 0.00 H new ATOM 0 HA SER A 38 9.502 -7.936 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.623 -6.057 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.986 -6.492 5.795 1.00 0.00 H new ATOM 0 HG SER A 38 7.909 -8.773 6.559 1.00 0.00 H new ATOM 576 N LEU A 39 6.809 -8.380 3.160 1.00 0.00 N ATOM 577 CA LEU A 39 5.857 -9.366 2.678 1.00 0.00 C ATOM 578 C LEU A 39 6.536 -10.631 2.167 1.00 0.00 C ATOM 579 O LEU A 39 6.043 -11.716 2.441 1.00 0.00 O ATOM 580 CB LEU A 39 4.993 -8.765 1.569 1.00 0.00 C ATOM 581 CG LEU A 39 3.973 -9.819 1.053 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.573 -9.197 0.953 1.00 0.00 C ATOM 583 CD2 LEU A 39 4.400 -10.327 -0.333 1.00 0.00 C ATOM 0 H LEU A 39 6.839 -7.515 2.620 1.00 0.00 H new ATOM 0 HA LEU A 39 5.233 -9.647 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.464 -7.889 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.625 -8.427 0.748 1.00 0.00 H new ATOM 0 HG LEU A 39 3.949 -10.652 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.868 -9.945 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.259 -8.848 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.597 -8.356 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.680 -11.065 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.437 -9.491 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.386 -10.786 -0.264 1.00 0.00 H new ATOM 595 N ASP A 40 7.660 -10.478 1.436 1.00 0.00 N ATOM 596 CA ASP A 40 8.411 -11.627 0.880 1.00 0.00 C ATOM 597 C ASP A 40 9.147 -11.251 -0.412 1.00 0.00 C ATOM 598 O ASP A 40 9.817 -12.094 -1.011 1.00 0.00 O ATOM 599 CB ASP A 40 7.469 -12.824 0.576 1.00 0.00 C ATOM 600 CG ASP A 40 7.311 -13.737 1.796 1.00 0.00 C ATOM 601 OD1 ASP A 40 8.214 -13.775 2.616 1.00 0.00 O ATOM 602 OD2 ASP A 40 6.280 -14.376 1.894 1.00 0.00 O ATOM 0 H ASP A 40 8.069 -9.570 1.216 1.00 0.00 H new ATOM 0 HA ASP A 40 9.138 -11.914 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.492 -12.451 0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.867 -13.398 -0.261 1.00 0.00 H new ATOM 607 N GLN A 41 9.025 -10.002 -0.841 1.00 0.00 N ATOM 608 CA GLN A 41 9.687 -9.562 -2.068 1.00 0.00 C ATOM 609 C GLN A 41 9.920 -8.057 -2.022 1.00 0.00 C ATOM 610 O GLN A 41 9.450 -7.380 -1.109 1.00 0.00 O ATOM 611 CB GLN A 41 8.830 -9.918 -3.289 1.00 0.00 C ATOM 612 CG GLN A 41 7.446 -9.279 -3.149 1.00 0.00 C ATOM 613 CD GLN A 41 6.588 -9.607 -4.368 1.00 0.00 C ATOM 614 OE1 GLN A 41 6.791 -10.636 -5.013 1.00 0.00 O ATOM 615 NE2 GLN A 41 5.633 -8.790 -4.719 1.00 0.00 N ATOM 0 H GLN A 41 8.481 -9.281 -0.366 1.00 0.00 H new ATOM 0 HA GLN A 41 10.648 -10.071 -2.150 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.314 -9.566 -4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.735 -11.000 -3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.959 -9.643 -2.244 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.545 -8.199 -3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.467 -7.938 -4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.052 -9.003 -5.530 1.00 0.00 H new ATOM 624 N ASN A 42 10.653 -7.535 -3.002 1.00 0.00 N ATOM 625 CA ASN A 42 10.933 -6.104 -3.042 1.00 0.00 C ATOM 626 C ASN A 42 11.195 -5.631 -4.471 1.00 0.00 C ATOM 627 O ASN A 42 12.344 -5.394 -4.847 1.00 0.00 O ATOM 628 CB ASN A 42 12.153 -5.788 -2.166 1.00 0.00 C ATOM 629 CG ASN A 42 13.341 -6.642 -2.594 1.00 0.00 C ATOM 630 OD1 ASN A 42 14.260 -6.144 -3.247 1.00 0.00 O ATOM 631 ND2 ASN A 42 13.380 -7.903 -2.265 1.00 0.00 N ATOM 0 H ASN A 42 11.058 -8.073 -3.768 1.00 0.00 H new ATOM 0 HA ASN A 42 10.058 -5.578 -2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.406 -4.731 -2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.917 -5.978 -1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.172 -8.480 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.618 -8.313 -1.725 1.00 0.00 H new ATOM 638 N PRO A 43 10.158 -5.477 -5.259 1.00 0.00 N ATOM 639 CA PRO A 43 10.286 -4.999 -6.668 1.00 0.00 C ATOM 640 C PRO A 43 11.092 -3.701 -6.743 1.00 0.00 C ATOM 641 O PRO A 43 11.473 -3.143 -5.713 1.00 0.00 O ATOM 642 CB PRO A 43 8.829 -4.783 -7.118 1.00 0.00 C ATOM 643 CG PRO A 43 8.007 -5.660 -6.229 1.00 0.00 C ATOM 644 CD PRO A 43 8.754 -5.743 -4.894 1.00 0.00 C ATOM 0 HA PRO A 43 10.819 -5.705 -7.304 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.537 -3.738 -7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.697 -5.052 -8.166 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.008 -5.246 -6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.883 -6.650 -6.667 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.380 -5.009 -4.180 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.640 -6.724 -4.432 1.00 0.00 H new ATOM 652 N THR A 44 11.339 -3.211 -7.956 1.00 0.00 N ATOM 653 CA THR A 44 12.082 -1.973 -8.129 1.00 0.00 C ATOM 654 C THR A 44 11.124 -0.787 -8.045 1.00 0.00 C ATOM 655 O THR A 44 9.913 -0.943 -8.195 1.00 0.00 O ATOM 656 CB THR A 44 12.776 -1.985 -9.488 1.00 0.00 C ATOM 657 OG1 THR A 44 13.390 -3.248 -9.698 1.00 0.00 O ATOM 658 CG2 THR A 44 13.839 -0.890 -9.541 1.00 0.00 C ATOM 0 H THR A 44 11.037 -3.651 -8.825 1.00 0.00 H new ATOM 0 HA THR A 44 12.832 -1.883 -7.343 1.00 0.00 H new ATOM 0 HB THR A 44 12.035 -1.804 -10.267 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.834 -3.255 -10.572 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.329 -0.906 -10.514 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.369 0.081 -9.387 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.579 -1.063 -8.759 1.00 0.00 H new ATOM 666 N GLU A 45 11.672 0.394 -7.810 1.00 0.00 N ATOM 667 CA GLU A 45 10.844 1.596 -7.710 1.00 0.00 C ATOM 668 C GLU A 45 9.860 1.648 -8.871 1.00 0.00 C ATOM 669 O GLU A 45 8.695 2.002 -8.692 1.00 0.00 O ATOM 670 CB GLU A 45 11.722 2.854 -7.721 1.00 0.00 C ATOM 671 CG GLU A 45 12.547 2.930 -6.429 1.00 0.00 C ATOM 672 CD GLU A 45 13.779 2.037 -6.540 1.00 0.00 C ATOM 673 OE1 GLU A 45 13.874 1.314 -7.517 1.00 0.00 O ATOM 674 OE2 GLU A 45 14.600 2.082 -5.643 1.00 0.00 O ATOM 0 H GLU A 45 12.672 0.551 -7.686 1.00 0.00 H new ATOM 0 HA GLU A 45 10.292 1.560 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.386 2.837 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.098 3.742 -7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.851 3.960 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.938 2.619 -5.581 1.00 0.00 H new ATOM 681 N GLU A 46 10.334 1.294 -10.059 1.00 0.00 N ATOM 682 CA GLU A 46 9.487 1.310 -11.247 1.00 0.00 C ATOM 683 C GLU A 46 8.225 0.481 -11.013 1.00 0.00 C ATOM 684 O GLU A 46 7.111 0.964 -11.209 1.00 0.00 O ATOM 685 CB GLU A 46 10.268 0.738 -12.453 1.00 0.00 C ATOM 686 CG GLU A 46 11.772 0.889 -12.222 1.00 0.00 C ATOM 687 CD GLU A 46 12.528 0.620 -13.519 1.00 0.00 C ATOM 688 OE1 GLU A 46 12.220 -0.366 -14.167 1.00 0.00 O ATOM 689 OE2 GLU A 46 13.401 1.408 -13.847 1.00 0.00 O ATOM 0 H GLU A 46 11.294 0.994 -10.226 1.00 0.00 H new ATOM 0 HA GLU A 46 9.198 2.340 -11.456 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.017 -0.313 -12.593 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.978 1.260 -13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.994 1.894 -11.864 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.101 0.195 -11.449 1.00 0.00 H new ATOM 696 N GLU A 47 8.404 -0.768 -10.591 1.00 0.00 N ATOM 697 CA GLU A 47 7.263 -1.637 -10.342 1.00 0.00 C ATOM 698 C GLU A 47 6.392 -1.056 -9.234 1.00 0.00 C ATOM 699 O GLU A 47 5.164 -1.078 -9.322 1.00 0.00 O ATOM 700 CB GLU A 47 7.742 -3.040 -9.958 1.00 0.00 C ATOM 701 CG GLU A 47 8.390 -3.710 -11.174 1.00 0.00 C ATOM 702 CD GLU A 47 8.875 -5.108 -10.804 1.00 0.00 C ATOM 703 OE1 GLU A 47 9.997 -5.221 -10.342 1.00 0.00 O ATOM 704 OE2 GLU A 47 8.113 -6.043 -10.985 1.00 0.00 O ATOM 0 H GLU A 47 9.314 -1.194 -10.417 1.00 0.00 H new ATOM 0 HA GLU A 47 6.669 -1.707 -11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.458 -2.980 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.902 -3.638 -9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.672 -3.770 -11.992 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.227 -3.108 -11.528 1.00 0.00 H new ATOM 711 N LEU A 48 7.027 -0.521 -8.197 1.00 0.00 N ATOM 712 CA LEU A 48 6.282 0.074 -7.095 1.00 0.00 C ATOM 713 C LEU A 48 5.470 1.265 -7.596 1.00 0.00 C ATOM 714 O LEU A 48 4.289 1.402 -7.278 1.00 0.00 O ATOM 715 CB LEU A 48 7.269 0.514 -5.989 1.00 0.00 C ATOM 716 CG LEU A 48 7.239 -0.482 -4.822 1.00 0.00 C ATOM 717 CD1 LEU A 48 7.771 -1.837 -5.294 1.00 0.00 C ATOM 718 CD2 LEU A 48 8.113 0.047 -3.688 1.00 0.00 C ATOM 0 H LEU A 48 8.041 -0.487 -8.097 1.00 0.00 H new ATOM 0 HA LEU A 48 5.591 -0.661 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.278 0.577 -6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.006 1.510 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 48 6.215 -0.602 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.750 -2.545 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.147 -2.210 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.796 -1.722 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.095 -0.657 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.137 0.164 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.732 1.012 -3.355 1.00 0.00 H new ATOM 730 N GLN A 49 6.105 2.117 -8.388 1.00 0.00 N ATOM 731 CA GLN A 49 5.416 3.280 -8.927 1.00 0.00 C ATOM 732 C GLN A 49 4.373 2.843 -9.952 1.00 0.00 C ATOM 733 O GLN A 49 3.234 3.306 -9.925 1.00 0.00 O ATOM 734 CB GLN A 49 6.424 4.236 -9.572 1.00 0.00 C ATOM 735 CG GLN A 49 5.687 5.461 -10.118 1.00 0.00 C ATOM 736 CD GLN A 49 6.688 6.512 -10.584 1.00 0.00 C ATOM 737 OE1 GLN A 49 7.629 6.194 -11.311 1.00 0.00 O ATOM 738 NE2 GLN A 49 6.545 7.750 -10.200 1.00 0.00 N ATOM 0 H GLN A 49 7.082 2.028 -8.668 1.00 0.00 H new ATOM 0 HA GLN A 49 4.911 3.800 -8.113 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.170 4.544 -8.839 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.957 3.730 -10.377 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.044 5.168 -10.948 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.041 5.880 -9.346 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.764 8.010 -9.598 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.214 8.458 -10.502 1.00 0.00 H new ATOM 747 N ASP A 50 4.763 1.950 -10.857 1.00 0.00 N ATOM 748 CA ASP A 50 3.841 1.469 -11.881 1.00 0.00 C ATOM 749 C ASP A 50 2.666 0.734 -11.240 1.00 0.00 C ATOM 750 O ASP A 50 1.530 0.857 -11.697 1.00 0.00 O ATOM 751 CB ASP A 50 4.578 0.531 -12.851 1.00 0.00 C ATOM 752 CG ASP A 50 5.366 1.342 -13.882 1.00 0.00 C ATOM 753 OD1 ASP A 50 5.109 2.528 -14.004 1.00 0.00 O ATOM 754 OD2 ASP A 50 6.217 0.763 -14.531 1.00 0.00 O ATOM 0 H ASP A 50 5.700 1.549 -10.903 1.00 0.00 H new ATOM 0 HA ASP A 50 3.456 2.327 -12.433 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.255 -0.118 -12.295 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.861 -0.115 -13.358 1.00 0.00 H new ATOM 759 N MET A 51 2.939 -0.005 -10.167 1.00 0.00 N ATOM 760 CA MET A 51 1.877 -0.721 -9.472 1.00 0.00 C ATOM 761 C MET A 51 0.959 0.278 -8.775 1.00 0.00 C ATOM 762 O MET A 51 -0.264 0.187 -8.875 1.00 0.00 O ATOM 763 CB MET A 51 2.467 -1.698 -8.452 1.00 0.00 C ATOM 764 CG MET A 51 1.340 -2.464 -7.751 1.00 0.00 C ATOM 765 SD MET A 51 2.043 -3.789 -6.730 1.00 0.00 S ATOM 766 CE MET A 51 3.133 -2.767 -5.707 1.00 0.00 C ATOM 0 H MET A 51 3.870 -0.122 -9.767 1.00 0.00 H new ATOM 0 HA MET A 51 1.300 -1.293 -10.199 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.138 -2.397 -8.951 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.061 -1.155 -7.717 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.757 -1.784 -7.130 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.658 -2.884 -8.490 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.389 -3.308 -4.796 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.043 -2.538 -6.261 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.624 -1.839 -5.447 1.00 0.00 H new ATOM 776 N ILE A 52 1.556 1.251 -8.090 1.00 0.00 N ATOM 777 CA ILE A 52 0.767 2.273 -7.416 1.00 0.00 C ATOM 778 C ILE A 52 0.024 3.116 -8.441 1.00 0.00 C ATOM 779 O ILE A 52 -1.164 3.391 -8.289 1.00 0.00 O ATOM 780 CB ILE A 52 1.669 3.161 -6.547 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.147 2.357 -5.336 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.884 4.386 -6.060 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.250 3.130 -4.614 1.00 0.00 C ATOM 0 H ILE A 52 2.566 1.351 -7.989 1.00 0.00 H new ATOM 0 HA ILE A 52 0.040 1.784 -6.768 1.00 0.00 H new ATOM 0 HB ILE A 52 2.524 3.493 -7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.314 2.172 -4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.520 1.384 -5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.531 5.011 -5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.535 4.960 -6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.028 4.059 -5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.591 2.557 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.086 3.293 -5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.861 4.092 -4.280 1.00 0.00 H new ATOM 795 N SER A 53 0.727 3.510 -9.495 1.00 0.00 N ATOM 796 CA SER A 53 0.114 4.311 -10.541 1.00 0.00 C ATOM 797 C SER A 53 -1.064 3.556 -11.146 1.00 0.00 C ATOM 798 O SER A 53 -2.099 4.144 -11.454 1.00 0.00 O ATOM 799 CB SER A 53 1.140 4.640 -11.625 1.00 0.00 C ATOM 800 OG SER A 53 2.278 5.247 -11.025 1.00 0.00 O ATOM 0 H SER A 53 1.711 3.290 -9.646 1.00 0.00 H new ATOM 0 HA SER A 53 -0.246 5.244 -10.107 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.433 3.732 -12.152 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.703 5.311 -12.364 1.00 0.00 H new ATOM 0 HG SER A 53 2.971 4.570 -10.880 1.00 0.00 H new ATOM 806 N GLU A 54 -0.895 2.248 -11.318 1.00 0.00 N ATOM 807 CA GLU A 54 -1.949 1.423 -11.897 1.00 0.00 C ATOM 808 C GLU A 54 -3.272 1.638 -11.160 1.00 0.00 C ATOM 809 O GLU A 54 -4.343 1.532 -11.760 1.00 0.00 O ATOM 810 CB GLU A 54 -1.554 -0.057 -11.828 1.00 0.00 C ATOM 811 CG GLU A 54 -2.490 -0.878 -12.721 1.00 0.00 C ATOM 812 CD GLU A 54 -2.158 -0.632 -14.189 1.00 0.00 C ATOM 813 OE1 GLU A 54 -1.187 0.058 -14.449 1.00 0.00 O ATOM 814 OE2 GLU A 54 -2.883 -1.135 -15.032 1.00 0.00 O ATOM 0 H GLU A 54 -0.046 1.741 -11.067 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.079 1.715 -12.939 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.521 -0.184 -12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.612 -0.412 -10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.390 -1.938 -12.490 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.527 -0.605 -12.523 1.00 0.00 H new ATOM 821 N VAL A 55 -3.201 1.932 -9.856 1.00 0.00 N ATOM 822 CA VAL A 55 -4.414 2.152 -9.052 1.00 0.00 C ATOM 823 C VAL A 55 -4.567 3.613 -8.650 1.00 0.00 C ATOM 824 O VAL A 55 -5.689 4.103 -8.519 1.00 0.00 O ATOM 825 CB VAL A 55 -4.374 1.288 -7.795 1.00 0.00 C ATOM 826 CG1 VAL A 55 -3.102 1.587 -7.003 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.599 1.582 -6.923 1.00 0.00 C ATOM 0 H VAL A 55 -2.327 2.023 -9.338 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.269 1.874 -9.669 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.381 0.237 -8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.078 0.968 -6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.230 1.368 -7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.090 2.639 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.565 0.962 -6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.598 2.634 -6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.507 1.359 -7.484 1.00 0.00 H new ATOM 837 N ASP A 56 -3.454 4.308 -8.444 1.00 0.00 N ATOM 838 CA ASP A 56 -3.540 5.705 -8.051 1.00 0.00 C ATOM 839 C ASP A 56 -4.182 6.488 -9.190 1.00 0.00 C ATOM 840 O ASP A 56 -3.506 7.167 -9.962 1.00 0.00 O ATOM 841 CB ASP A 56 -2.142 6.261 -7.718 1.00 0.00 C ATOM 842 CG ASP A 56 -2.240 7.368 -6.671 1.00 0.00 C ATOM 843 OD1 ASP A 56 -2.747 8.423 -6.994 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.814 7.135 -5.551 1.00 0.00 O ATOM 0 H ASP A 56 -2.508 3.939 -8.540 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.151 5.802 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.504 5.458 -7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.674 6.649 -8.623 1.00 0.00 H new ATOM 849 N ALA A 57 -5.498 6.367 -9.294 1.00 0.00 N ATOM 850 CA ALA A 57 -6.230 7.050 -10.351 1.00 0.00 C ATOM 851 C ALA A 57 -5.922 8.541 -10.333 1.00 0.00 C ATOM 852 O ALA A 57 -5.963 9.204 -11.366 1.00 0.00 O ATOM 853 CB ALA A 57 -7.737 6.842 -10.178 1.00 0.00 C ATOM 0 H ALA A 57 -6.076 5.808 -8.666 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.916 6.630 -11.307 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.270 7.359 -10.976 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.965 5.777 -10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.051 7.242 -9.214 1.00 0.00 H new ATOM 859 N ASP A 58 -5.628 9.063 -9.150 1.00 0.00 N ATOM 860 CA ASP A 58 -5.328 10.486 -8.999 1.00 0.00 C ATOM 861 C ASP A 58 -3.828 10.762 -9.112 1.00 0.00 C ATOM 862 O ASP A 58 -3.420 11.899 -9.345 1.00 0.00 O ATOM 863 CB ASP A 58 -5.836 10.969 -7.644 1.00 0.00 C ATOM 864 CG ASP A 58 -5.325 10.048 -6.541 1.00 0.00 C ATOM 865 OD1 ASP A 58 -5.064 8.894 -6.833 1.00 0.00 O ATOM 866 OD2 ASP A 58 -5.205 10.510 -5.420 1.00 0.00 O ATOM 0 H ASP A 58 -5.590 8.528 -8.283 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.829 11.025 -9.803 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.500 11.990 -7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.926 10.987 -7.639 1.00 0.00 H new ATOM 871 N GLY A 59 -3.012 9.729 -8.936 1.00 0.00 N ATOM 872 CA GLY A 59 -1.561 9.897 -9.016 1.00 0.00 C ATOM 873 C GLY A 59 -1.045 10.790 -7.887 1.00 0.00 C ATOM 874 O GLY A 59 -0.202 11.658 -8.114 1.00 0.00 O ATOM 0 H GLY A 59 -3.322 8.777 -8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.076 8.922 -8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.295 10.333 -9.979 1.00 0.00 H new ATOM 878 N ASN A 60 -1.552 10.583 -6.671 1.00 0.00 N ATOM 879 CA ASN A 60 -1.120 11.395 -5.529 1.00 0.00 C ATOM 880 C ASN A 60 0.124 10.813 -4.863 1.00 0.00 C ATOM 881 O ASN A 60 0.797 11.501 -4.096 1.00 0.00 O ATOM 882 CB ASN A 60 -2.237 11.488 -4.490 1.00 0.00 C ATOM 883 CG ASN A 60 -2.494 10.113 -3.886 1.00 0.00 C ATOM 884 OD1 ASN A 60 -1.855 9.135 -4.277 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.397 9.976 -2.958 1.00 0.00 N ATOM 0 H ASN A 60 -2.251 9.873 -6.451 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.881 12.387 -5.912 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.960 12.194 -3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.147 11.868 -4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.577 9.057 -2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.925 10.787 -2.636 1.00 0.00 H new ATOM 892 N GLY A 61 0.431 9.546 -5.146 1.00 0.00 N ATOM 893 CA GLY A 61 1.599 8.900 -4.547 1.00 0.00 C ATOM 894 C GLY A 61 1.234 8.240 -3.219 1.00 0.00 C ATOM 895 O GLY A 61 2.108 7.898 -2.421 1.00 0.00 O ATOM 0 H GLY A 61 -0.106 8.953 -5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.997 8.152 -5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.386 9.637 -4.387 1.00 0.00 H new ATOM 899 N THR A 62 -0.068 8.059 -2.998 1.00 0.00 N ATOM 900 CA THR A 62 -0.569 7.432 -1.774 1.00 0.00 C ATOM 901 C THR A 62 -1.734 6.505 -2.103 1.00 0.00 C ATOM 902 O THR A 62 -2.452 6.726 -3.075 1.00 0.00 O ATOM 903 CB THR A 62 -1.038 8.507 -0.789 1.00 0.00 C ATOM 904 OG1 THR A 62 -0.033 9.503 -0.659 1.00 0.00 O ATOM 905 CG2 THR A 62 -1.313 7.877 0.576 1.00 0.00 C ATOM 0 H THR A 62 -0.798 8.339 -3.653 1.00 0.00 H new ATOM 0 HA THR A 62 0.237 6.854 -1.321 1.00 0.00 H new ATOM 0 HB THR A 62 -1.955 8.961 -1.165 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.334 10.191 -0.030 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.646 8.647 1.272 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.089 7.118 0.477 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.401 7.416 0.955 1.00 0.00 H new ATOM 913 N ILE A 63 -1.919 5.467 -1.289 1.00 0.00 N ATOM 914 CA ILE A 63 -3.011 4.511 -1.501 1.00 0.00 C ATOM 915 C ILE A 63 -4.030 4.636 -0.373 1.00 0.00 C ATOM 916 O ILE A 63 -3.672 4.556 0.805 1.00 0.00 O ATOM 917 CB ILE A 63 -2.461 3.078 -1.529 1.00 0.00 C ATOM 918 CG1 ILE A 63 -1.165 3.033 -2.347 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.488 2.141 -2.176 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.634 1.596 -2.387 1.00 0.00 C ATOM 0 H ILE A 63 -1.332 5.265 -0.480 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.490 4.731 -2.455 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.262 2.758 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.349 3.392 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.420 3.695 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.093 1.125 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.413 2.161 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.689 2.470 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.287 1.565 -2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.434 1.254 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.377 0.946 -2.849 1.00 0.00 H new ATOM 932 N GLU A 64 -5.295 4.835 -0.732 1.00 0.00 N ATOM 933 CA GLU A 64 -6.361 4.973 0.266 1.00 0.00 C ATOM 934 C GLU A 64 -7.171 3.682 0.351 1.00 0.00 C ATOM 935 O GLU A 64 -6.884 2.714 -0.352 1.00 0.00 O ATOM 936 CB GLU A 64 -7.275 6.143 -0.106 1.00 0.00 C ATOM 937 CG GLU A 64 -6.499 7.459 0.022 1.00 0.00 C ATOM 938 CD GLU A 64 -7.373 8.627 -0.422 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.526 8.390 -0.738 1.00 0.00 O ATOM 940 OE2 GLU A 64 -6.874 9.742 -0.444 1.00 0.00 O ATOM 0 H GLU A 64 -5.610 4.905 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.911 5.170 1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.641 6.022 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.148 6.158 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.181 7.604 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.596 7.418 -0.587 1.00 0.00 H new ATOM 947 N PHE A 65 -8.172 3.664 1.227 1.00 0.00 N ATOM 948 CA PHE A 65 -8.988 2.464 1.393 1.00 0.00 C ATOM 949 C PHE A 65 -9.625 2.052 0.065 1.00 0.00 C ATOM 950 O PHE A 65 -9.420 0.932 -0.404 1.00 0.00 O ATOM 951 CB PHE A 65 -10.081 2.711 2.444 1.00 0.00 C ATOM 952 CG PHE A 65 -11.138 1.625 2.366 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.904 0.372 2.944 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.345 1.873 1.699 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.879 -0.631 2.860 1.00 0.00 C ATOM 956 CE2 PHE A 65 -13.318 0.870 1.615 1.00 0.00 C ATOM 957 CZ PHE A 65 -13.086 -0.381 2.196 1.00 0.00 C ATOM 0 H PHE A 65 -8.435 4.450 1.822 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.341 1.654 1.731 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.640 2.729 3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.539 3.687 2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.972 0.178 3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.525 2.838 1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.699 -1.597 3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -14.248 1.062 1.101 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.838 -1.154 2.132 1.00 0.00 H new ATOM 967 N ASP A 66 -10.409 2.945 -0.529 1.00 0.00 N ATOM 968 CA ASP A 66 -11.071 2.626 -1.788 1.00 0.00 C ATOM 969 C ASP A 66 -10.045 2.219 -2.834 1.00 0.00 C ATOM 970 O ASP A 66 -10.246 1.256 -3.574 1.00 0.00 O ATOM 971 CB ASP A 66 -11.860 3.839 -2.285 1.00 0.00 C ATOM 972 CG ASP A 66 -10.937 5.044 -2.426 1.00 0.00 C ATOM 973 OD1 ASP A 66 -9.827 4.978 -1.922 1.00 0.00 O ATOM 974 OD2 ASP A 66 -11.355 6.018 -3.031 1.00 0.00 O ATOM 0 H ASP A 66 -10.599 3.879 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.756 1.795 -1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.324 3.612 -3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.666 4.068 -1.588 1.00 0.00 H new ATOM 979 N GLU A 67 -8.931 2.936 -2.868 1.00 0.00 N ATOM 980 CA GLU A 67 -7.871 2.621 -3.812 1.00 0.00 C ATOM 981 C GLU A 67 -7.265 1.261 -3.478 1.00 0.00 C ATOM 982 O GLU A 67 -7.080 0.421 -4.356 1.00 0.00 O ATOM 983 CB GLU A 67 -6.794 3.701 -3.759 1.00 0.00 C ATOM 984 CG GLU A 67 -7.340 4.996 -4.363 1.00 0.00 C ATOM 985 CD GLU A 67 -6.348 6.131 -4.146 1.00 0.00 C ATOM 986 OE1 GLU A 67 -5.324 5.888 -3.527 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.631 7.231 -4.593 1.00 0.00 O ATOM 0 H GLU A 67 -8.739 3.732 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.288 2.584 -4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.484 3.870 -2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.910 3.376 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.523 4.861 -5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.297 5.246 -3.904 1.00 0.00 H new ATOM 994 N PHE A 68 -6.980 1.044 -2.201 1.00 0.00 N ATOM 995 CA PHE A 68 -6.411 -0.223 -1.760 1.00 0.00 C ATOM 996 C PHE A 68 -7.395 -1.363 -2.008 1.00 0.00 C ATOM 997 O PHE A 68 -6.992 -2.477 -2.345 1.00 0.00 O ATOM 998 CB PHE A 68 -6.060 -0.161 -0.275 1.00 0.00 C ATOM 999 CG PHE A 68 -5.507 -1.501 0.167 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.212 -1.884 -0.210 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.286 -2.354 0.959 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.702 -3.121 0.203 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.777 -3.587 1.371 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.485 -3.973 0.994 1.00 0.00 C ATOM 0 H PHE A 68 -7.132 1.724 -1.456 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.502 -0.407 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.326 0.625 -0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.945 0.090 0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.609 -1.226 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.282 -2.057 1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.705 -3.419 -0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.380 -4.243 1.981 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.092 -4.927 1.313 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.685 -1.082 -1.842 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.711 -2.094 -2.056 1.00 0.00 C ATOM 1016 C LEU A 69 -9.701 -2.555 -3.513 1.00 0.00 C ATOM 1017 O LEU A 69 -9.770 -3.751 -3.799 1.00 0.00 O ATOM 1018 CB LEU A 69 -11.087 -1.515 -1.679 1.00 0.00 C ATOM 1019 CG LEU A 69 -12.194 -2.567 -1.909 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -13.440 -2.197 -1.088 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -12.560 -2.655 -3.413 1.00 0.00 C ATOM 0 H LEU A 69 -9.041 -0.168 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.505 -2.958 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.084 -1.203 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.291 -0.626 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.823 -3.540 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.219 -2.942 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.183 -2.169 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.803 -1.217 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.342 -3.402 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.918 -1.685 -3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.678 -2.940 -3.986 1.00 0.00 H new ATOM 1033 N SER A 70 -9.589 -1.602 -4.432 1.00 0.00 N ATOM 1034 CA SER A 70 -9.546 -1.938 -5.852 1.00 0.00 C ATOM 1035 C SER A 70 -8.288 -2.738 -6.172 1.00 0.00 C ATOM 1036 O SER A 70 -8.345 -3.751 -6.870 1.00 0.00 O ATOM 1037 CB SER A 70 -9.579 -0.664 -6.698 1.00 0.00 C ATOM 1038 OG SER A 70 -9.546 -1.017 -8.075 1.00 0.00 O ATOM 0 H SER A 70 -9.527 -0.605 -4.225 1.00 0.00 H new ATOM 0 HA SER A 70 -10.419 -2.546 -6.089 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.480 -0.091 -6.479 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.728 -0.028 -6.453 1.00 0.00 H new ATOM 0 HG SER A 70 -9.569 -0.204 -8.622 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.154 -2.286 -5.649 1.00 0.00 N ATOM 1045 CA LEU A 71 -5.889 -2.972 -5.885 1.00 0.00 C ATOM 1046 C LEU A 71 -5.924 -4.384 -5.307 1.00 0.00 C ATOM 1047 O LEU A 71 -5.478 -5.343 -5.944 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.734 -2.181 -5.256 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.396 -2.924 -5.443 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -3.155 -3.224 -6.930 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.256 -2.045 -4.915 1.00 0.00 C ATOM 0 H LEU A 71 -7.084 -1.454 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.733 -3.041 -6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.673 -1.193 -5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.926 -2.031 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.432 -3.865 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.207 -3.749 -7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.964 -3.847 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.123 -2.289 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.306 -2.564 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.234 -1.106 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.416 -1.839 -3.857 1.00 0.00 H new ATOM 1063 N MET A 72 -6.466 -4.508 -4.102 1.00 0.00 N ATOM 1064 CA MET A 72 -6.552 -5.817 -3.458 1.00 0.00 C ATOM 1065 C MET A 72 -7.375 -6.763 -4.331 1.00 0.00 C ATOM 1066 O MET A 72 -6.947 -7.881 -4.633 1.00 0.00 O ATOM 1067 CB MET A 72 -7.197 -5.684 -2.071 1.00 0.00 C ATOM 1068 CG MET A 72 -7.206 -7.045 -1.353 1.00 0.00 C ATOM 1069 SD MET A 72 -5.528 -7.483 -0.839 1.00 0.00 S ATOM 1070 CE MET A 72 -5.988 -8.480 0.604 1.00 0.00 C ATOM 0 H MET A 72 -6.847 -3.735 -3.557 1.00 0.00 H new ATOM 0 HA MET A 72 -5.548 -6.222 -3.337 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.648 -4.955 -1.476 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.216 -5.311 -2.171 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.862 -7.003 -0.484 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.604 -7.813 -2.016 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.087 -8.860 1.086 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.544 -7.863 1.310 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.610 -9.317 0.285 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.550 -6.306 -4.747 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.406 -7.127 -5.594 1.00 0.00 C ATOM 1082 C ALA A 73 -8.700 -7.446 -6.910 1.00 0.00 C ATOM 1083 O ALA A 73 -8.630 -8.600 -7.316 1.00 0.00 O ATOM 1084 CB ALA A 73 -10.718 -6.402 -5.879 1.00 0.00 C ATOM 0 H ALA A 73 -8.927 -5.387 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.619 -8.058 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.348 -7.026 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.234 -6.201 -4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.510 -5.461 -6.388 1.00 0.00 H new