USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 420 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 Set 1.1: A 38 MET CE :methyl -147:sc= -0.143 (180deg=-1.7!) USER MOD Set 1.2: A 48 MET CE :methyl 170:sc= -3.82! (180deg=-4.43!) USER MOD Set 2.1: A 20 THR OG1 : rot 70:sc= 0.584 USER MOD Set 2.2: A 51 TYR OH : rot -112:sc= 0.452 USER MOD Single : A 11 THR OG1 : rot -160:sc= -0.375 USER MOD Single : A 14 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.25) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 1.1 (180deg=1.08) USER MOD Single : A 18 GLN : amide:sc= -3.06! C(o=-3.1!,f=-5.2!) USER MOD Single : A 22 SER OG : rot 70:sc= 1.3 USER MOD Single : A 24 LYS NZ :NH3+ 142:sc= 1.11 (180deg=0.212) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= -0.0175 (180deg=-0.12) USER MOD Single : A 30 THR OG1 : rot -62:sc= 1.13 USER MOD Single : A 31 TYR OH : rot -88:sc= 0.0109 USER MOD Single : A 39 SER OG : rot 16:sc= 1.14 USER MOD Single : A 40 SER OG : rot 180:sc= 0.00142 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.044) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0577 K(o=-0.058,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 139 N LEU A 10 -10.757 8.591 4.668 1.00 0.00 N ATOM 140 CA LEU A 10 -11.090 7.998 3.429 1.00 0.00 C ATOM 141 C LEU A 10 -11.830 6.727 3.668 1.00 0.00 C ATOM 142 O LEU A 10 -11.993 6.293 4.819 1.00 0.00 O ATOM 143 CB LEU A 10 -9.852 7.707 2.585 1.00 0.00 C ATOM 144 CG LEU A 10 -8.703 8.697 2.663 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.782 8.336 3.815 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.959 8.751 1.344 1.00 0.00 C ATOM 0 HA LEU A 10 -11.713 8.705 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.472 6.727 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.164 7.635 1.543 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.101 9.694 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.961 9.052 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.341 8.363 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.381 7.334 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.139 9.465 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.560 7.764 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.642 9.063 0.554 1.00 0.00 H new ATOM 158 N THR A 11 -12.269 6.137 2.611 1.00 0.00 N ATOM 159 CA THR A 11 -12.974 4.917 2.684 1.00 0.00 C ATOM 160 C THR A 11 -12.022 3.794 2.335 1.00 0.00 C ATOM 161 O THR A 11 -10.860 4.043 1.997 1.00 0.00 O ATOM 162 CB THR A 11 -14.152 4.920 1.703 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.615 4.955 0.372 1.00 0.00 O ATOM 164 CG2 THR A 11 -15.021 6.155 1.903 1.00 0.00 C ATOM 0 H THR A 11 -12.144 6.496 1.665 1.00 0.00 H new ATOM 0 HA THR A 11 -13.368 4.781 3.691 1.00 0.00 H new ATOM 0 HB THR A 11 -14.762 4.032 1.869 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.303 5.272 -0.250 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.850 6.135 1.196 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.412 6.164 2.920 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.423 7.051 1.736 1.00 0.00 H new ATOM 172 N PHE A 12 -12.506 2.584 2.391 1.00 0.00 N ATOM 173 CA PHE A 12 -11.695 1.443 2.079 1.00 0.00 C ATOM 174 C PHE A 12 -11.314 1.452 0.600 1.00 0.00 C ATOM 175 O PHE A 12 -10.179 1.180 0.204 1.00 0.00 O ATOM 176 CB PHE A 12 -12.406 0.140 2.486 1.00 0.00 C ATOM 177 CG PHE A 12 -11.686 -1.104 2.064 1.00 0.00 C ATOM 178 CD1 PHE A 12 -10.393 -1.336 2.474 1.00 0.00 C ATOM 179 CD2 PHE A 12 -12.302 -2.035 1.249 1.00 0.00 C ATOM 180 CE1 PHE A 12 -9.724 -2.467 2.076 1.00 0.00 C ATOM 181 CE2 PHE A 12 -11.634 -3.171 0.856 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.342 -3.384 1.268 1.00 0.00 C ATOM 0 H PHE A 12 -13.467 2.363 2.652 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.772 1.497 2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.528 0.127 3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.406 0.133 2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.899 -0.621 3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.317 -1.869 0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.708 -2.634 2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.126 -3.895 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.814 -4.273 0.956 1.00 0.00 H new ATOM 192 N ASP A 13 -12.294 1.859 -0.174 1.00 0.00 N ATOM 193 CA ASP A 13 -12.131 2.034 -1.613 1.00 0.00 C ATOM 194 C ASP A 13 -11.161 3.154 -1.943 1.00 0.00 C ATOM 195 O ASP A 13 -10.351 3.040 -2.871 1.00 0.00 O ATOM 196 CB ASP A 13 -13.463 2.204 -2.320 1.00 0.00 C ATOM 197 CG ASP A 13 -13.708 1.121 -3.347 1.00 0.00 C ATOM 198 OD1 ASP A 13 -13.620 1.392 -4.550 1.00 0.00 O ATOM 199 OD2 ASP A 13 -13.979 -0.042 -2.952 1.00 0.00 O ATOM 0 H ASP A 13 -13.229 2.080 0.169 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.689 1.114 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -14.267 2.193 -1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.491 3.178 -2.808 1.00 0.00 H new ATOM 204 N GLN A 14 -11.185 4.184 -1.113 1.00 0.00 N ATOM 205 CA GLN A 14 -10.309 5.338 -1.267 1.00 0.00 C ATOM 206 C GLN A 14 -8.910 4.984 -0.880 1.00 0.00 C ATOM 207 O GLN A 14 -7.946 5.415 -1.505 1.00 0.00 O ATOM 208 CB GLN A 14 -10.768 6.500 -0.435 1.00 0.00 C ATOM 209 CG GLN A 14 -11.978 7.201 -0.958 1.00 0.00 C ATOM 210 CD GLN A 14 -11.690 7.892 -2.248 1.00 0.00 C ATOM 211 OE1 GLN A 14 -11.276 9.054 -2.281 1.00 0.00 O ATOM 212 NE2 GLN A 14 -11.946 7.232 -3.290 1.00 0.00 N ATOM 0 H GLN A 14 -11.813 4.245 -0.312 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.343 5.629 -2.317 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.977 6.147 0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.953 7.219 -0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.784 6.481 -1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.326 7.928 -0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.287 6.273 -3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.813 7.656 -4.208 1.00 0.00 H new ATOM 221 N VAL A 15 -8.792 4.214 0.177 1.00 0.00 N ATOM 222 CA VAL A 15 -7.516 3.854 0.687 1.00 0.00 C ATOM 223 C VAL A 15 -6.879 2.906 -0.277 1.00 0.00 C ATOM 224 O VAL A 15 -5.673 2.956 -0.522 1.00 0.00 O ATOM 225 CB VAL A 15 -7.557 3.303 2.129 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.206 2.742 2.479 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.857 4.432 3.098 1.00 0.00 C ATOM 0 H VAL A 15 -9.581 3.828 0.696 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.907 4.754 0.773 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.326 2.533 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.227 2.351 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.955 1.939 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.456 3.529 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.885 4.041 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.079 5.192 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.822 4.875 2.853 1.00 0.00 H new ATOM 237 N LYS A 16 -7.677 2.066 -0.851 1.00 0.00 N ATOM 238 CA LYS A 16 -7.233 1.239 -1.903 1.00 0.00 C ATOM 239 C LYS A 16 -6.683 2.094 -3.025 1.00 0.00 C ATOM 240 O LYS A 16 -5.588 1.861 -3.468 1.00 0.00 O ATOM 241 CB LYS A 16 -8.353 0.330 -2.392 1.00 0.00 C ATOM 242 CG LYS A 16 -8.594 -0.926 -1.538 1.00 0.00 C ATOM 243 CD LYS A 16 -9.622 -1.868 -2.180 1.00 0.00 C ATOM 244 CE LYS A 16 -10.975 -1.202 -2.311 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.975 -2.011 -3.034 1.00 0.00 N ATOM 0 H LYS A 16 -8.657 1.940 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.434 0.594 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.277 0.907 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.128 0.019 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.652 -1.457 -1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.941 -0.630 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.270 -2.177 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.716 -2.771 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.356 -0.978 -1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.851 -0.250 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.852 -1.463 -3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.605 -2.262 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.173 -2.879 -2.497 1.00 0.00 H new ATOM 259 N GLU A 17 -7.409 3.129 -3.413 1.00 0.00 N ATOM 260 CA GLU A 17 -6.937 4.043 -4.445 1.00 0.00 C ATOM 261 C GLU A 17 -5.640 4.777 -4.048 1.00 0.00 C ATOM 262 O GLU A 17 -4.821 5.095 -4.923 1.00 0.00 O ATOM 263 CB GLU A 17 -8.028 5.037 -4.897 1.00 0.00 C ATOM 264 CG GLU A 17 -9.180 4.366 -5.618 1.00 0.00 C ATOM 265 CD GLU A 17 -10.247 5.316 -6.144 1.00 0.00 C ATOM 266 OE1 GLU A 17 -10.071 5.876 -7.242 1.00 0.00 O ATOM 267 OE2 GLU A 17 -11.320 5.439 -5.530 1.00 0.00 O ATOM 0 H GLU A 17 -8.326 3.359 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.695 3.415 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.412 5.567 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.582 5.784 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.781 3.792 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.650 3.655 -4.939 1.00 0.00 H new ATOM 274 N GLN A 18 -5.420 5.029 -2.734 1.00 0.00 N ATOM 275 CA GLN A 18 -4.220 5.749 -2.316 1.00 0.00 C ATOM 276 C GLN A 18 -3.027 4.858 -2.522 1.00 0.00 C ATOM 277 O GLN A 18 -2.045 5.212 -3.184 1.00 0.00 O ATOM 278 CB GLN A 18 -4.329 6.345 -0.882 1.00 0.00 C ATOM 279 CG GLN A 18 -4.168 5.386 0.266 1.00 0.00 C ATOM 280 CD GLN A 18 -4.166 6.077 1.604 1.00 0.00 C ATOM 281 OE1 GLN A 18 -3.122 6.440 2.121 1.00 0.00 O ATOM 282 NE2 GLN A 18 -5.323 6.302 2.152 1.00 0.00 N ATOM 0 H GLN A 18 -6.043 4.750 -1.977 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.097 6.633 -2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.575 7.126 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.302 6.827 -0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.977 4.656 0.240 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.236 4.834 0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.176 5.984 1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.378 6.796 3.042 1.00 0.00 H new ATOM 291 N LEU A 19 -3.168 3.689 -2.013 1.00 0.00 N ATOM 292 CA LEU A 19 -2.184 2.678 -2.035 1.00 0.00 C ATOM 293 C LEU A 19 -1.899 2.183 -3.439 1.00 0.00 C ATOM 294 O LEU A 19 -0.744 1.976 -3.802 1.00 0.00 O ATOM 295 CB LEU A 19 -2.671 1.585 -1.158 1.00 0.00 C ATOM 296 CG LEU A 19 -2.457 1.777 0.343 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.198 0.723 1.110 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.974 1.732 0.694 1.00 0.00 C ATOM 0 H LEU A 19 -4.025 3.399 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.234 3.071 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.738 1.452 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.179 0.660 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.844 2.758 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.038 0.870 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.263 0.794 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.832 -0.262 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.850 1.871 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.560 0.766 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.450 2.526 0.162 1.00 0.00 H new ATOM 310 N THR A 20 -2.949 2.063 -4.227 1.00 0.00 N ATOM 311 CA THR A 20 -2.842 1.642 -5.604 1.00 0.00 C ATOM 312 C THR A 20 -1.949 2.586 -6.380 1.00 0.00 C ATOM 313 O THR A 20 -0.948 2.161 -6.935 1.00 0.00 O ATOM 314 CB THR A 20 -4.255 1.576 -6.252 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.991 0.459 -5.728 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.217 1.528 -7.774 1.00 0.00 C ATOM 0 H THR A 20 -3.904 2.257 -3.926 1.00 0.00 H new ATOM 0 HA THR A 20 -2.395 0.648 -5.632 1.00 0.00 H new ATOM 0 HB THR A 20 -4.764 2.503 -5.988 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.230 0.634 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.235 1.483 -8.162 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.723 2.422 -8.154 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.666 0.644 -8.097 1.00 0.00 H new ATOM 324 N GLU A 21 -2.248 3.863 -6.304 1.00 0.00 N ATOM 325 CA GLU A 21 -1.523 4.868 -7.074 1.00 0.00 C ATOM 326 C GLU A 21 -0.060 4.914 -6.636 1.00 0.00 C ATOM 327 O GLU A 21 0.861 4.967 -7.444 1.00 0.00 O ATOM 328 CB GLU A 21 -2.202 6.217 -6.878 1.00 0.00 C ATOM 329 CG GLU A 21 -1.544 7.386 -7.597 1.00 0.00 C ATOM 330 CD GLU A 21 -1.557 7.239 -9.097 1.00 0.00 C ATOM 331 OE1 GLU A 21 -0.599 6.695 -9.671 1.00 0.00 O ATOM 332 OE2 GLU A 21 -2.525 7.674 -9.729 1.00 0.00 O ATOM 0 H GLU A 21 -2.991 4.239 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.540 4.613 -8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.235 6.138 -7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.233 6.438 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.057 8.308 -7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.513 7.481 -7.256 1.00 0.00 H new ATOM 339 N SER A 22 0.116 4.823 -5.355 1.00 0.00 N ATOM 340 CA SER A 22 1.422 4.891 -4.748 1.00 0.00 C ATOM 341 C SER A 22 2.276 3.686 -5.172 1.00 0.00 C ATOM 342 O SER A 22 3.435 3.842 -5.565 1.00 0.00 O ATOM 343 CB SER A 22 1.276 4.993 -3.231 1.00 0.00 C ATOM 344 OG SER A 22 0.441 6.110 -2.895 1.00 0.00 O ATOM 0 H SER A 22 -0.646 4.698 -4.689 1.00 0.00 H new ATOM 0 HA SER A 22 1.942 5.784 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.844 4.073 -2.836 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.257 5.109 -2.769 1.00 0.00 H new ATOM 0 HG SER A 22 -0.483 5.920 -3.161 1.00 0.00 H new ATOM 350 N GLY A 23 1.675 2.500 -5.159 1.00 0.00 N ATOM 351 CA GLY A 23 2.351 1.296 -5.588 1.00 0.00 C ATOM 352 C GLY A 23 2.685 1.341 -7.059 1.00 0.00 C ATOM 353 O GLY A 23 3.696 0.832 -7.476 1.00 0.00 O ATOM 0 H GLY A 23 0.713 2.354 -4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.266 1.166 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.720 0.431 -5.384 1.00 0.00 H new ATOM 357 N LYS A 24 1.811 1.970 -7.820 1.00 0.00 N ATOM 358 CA LYS A 24 1.997 2.145 -9.256 1.00 0.00 C ATOM 359 C LYS A 24 3.205 3.011 -9.578 1.00 0.00 C ATOM 360 O LYS A 24 3.891 2.786 -10.567 1.00 0.00 O ATOM 361 CB LYS A 24 0.732 2.712 -9.867 1.00 0.00 C ATOM 362 CG LYS A 24 -0.442 1.741 -9.801 1.00 0.00 C ATOM 363 CD LYS A 24 -0.345 0.620 -10.842 1.00 0.00 C ATOM 364 CE LYS A 24 -0.570 1.157 -12.237 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.302 0.170 -13.307 1.00 0.00 N ATOM 0 H LYS A 24 0.947 2.377 -7.463 1.00 0.00 H new ATOM 0 HA LYS A 24 2.197 1.167 -9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.465 3.633 -9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.922 2.975 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.489 1.302 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.371 2.291 -9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.636 0.148 -10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.083 -0.151 -10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.601 1.500 -12.322 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.069 2.027 -12.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.002 0.284 -14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.653 0.323 -13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.369 -0.792 -12.917 1.00 0.00 H new ATOM 379 N LYS A 25 3.475 3.983 -8.725 1.00 0.00 N ATOM 380 CA LYS A 25 4.619 4.870 -8.886 1.00 0.00 C ATOM 381 C LYS A 25 5.904 4.147 -8.517 1.00 0.00 C ATOM 382 O LYS A 25 6.956 4.323 -9.137 1.00 0.00 O ATOM 383 CB LYS A 25 4.470 6.076 -7.958 1.00 0.00 C ATOM 384 CG LYS A 25 3.247 6.946 -8.211 1.00 0.00 C ATOM 385 CD LYS A 25 3.133 8.069 -7.179 1.00 0.00 C ATOM 386 CE LYS A 25 4.319 9.036 -7.240 1.00 0.00 C ATOM 387 NZ LYS A 25 4.425 9.714 -8.552 1.00 0.00 N ATOM 0 H LYS A 25 2.909 4.182 -7.900 1.00 0.00 H new ATOM 0 HA LYS A 25 4.660 5.191 -9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.435 5.719 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.362 6.696 -8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.305 7.375 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.348 6.330 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.208 8.621 -7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.070 7.637 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.215 9.784 -6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.241 8.490 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.130 10.476 -8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.718 9.027 -9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.501 10.116 -8.811 1.00 0.00 H new ATOM 401 N ARG A 26 5.808 3.363 -7.478 1.00 0.00 N ATOM 402 CA ARG A 26 6.961 2.700 -6.902 1.00 0.00 C ATOM 403 C ARG A 26 7.321 1.421 -7.625 1.00 0.00 C ATOM 404 O ARG A 26 8.491 1.119 -7.883 1.00 0.00 O ATOM 405 CB ARG A 26 6.697 2.374 -5.448 1.00 0.00 C ATOM 406 CG ARG A 26 6.353 3.560 -4.590 1.00 0.00 C ATOM 407 CD ARG A 26 6.082 3.117 -3.183 1.00 0.00 C ATOM 408 NE ARG A 26 5.477 4.175 -2.373 1.00 0.00 N ATOM 409 CZ ARG A 26 4.976 3.977 -1.162 1.00 0.00 C ATOM 410 NH1 ARG A 26 5.116 2.807 -0.600 1.00 0.00 N ATOM 411 NH2 ARG A 26 4.357 4.960 -0.515 1.00 0.00 N ATOM 0 H ARG A 26 4.929 3.161 -7.001 1.00 0.00 H new ATOM 0 HA ARG A 26 7.799 3.391 -7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.880 1.654 -5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.579 1.886 -5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.173 4.277 -4.602 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.478 4.069 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.420 2.251 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.015 2.797 -2.720 1.00 0.00 H new ATOM 0 HE ARG A 26 5.439 5.117 -2.762 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.606 2.060 -1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.736 2.640 0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.264 5.878 -0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.975 4.796 0.417 1.00 0.00 H new ATOM 425 N GLY A 27 6.288 0.664 -7.910 1.00 0.00 N ATOM 426 CA GLY A 27 6.400 -0.625 -8.503 1.00 0.00 C ATOM 427 C GLY A 27 6.371 -1.655 -7.432 1.00 0.00 C ATOM 428 O GLY A 27 6.548 -2.848 -7.686 1.00 0.00 O ATOM 0 H GLY A 27 5.325 0.946 -7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.582 -0.789 -9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.327 -0.699 -9.071 1.00 0.00 H new ATOM 432 N VAL A 28 6.088 -1.199 -6.221 1.00 0.00 N ATOM 433 CA VAL A 28 6.148 -2.033 -5.075 1.00 0.00 C ATOM 434 C VAL A 28 5.469 -1.361 -3.887 1.00 0.00 C ATOM 435 O VAL A 28 5.286 -0.135 -3.875 1.00 0.00 O ATOM 436 CB VAL A 28 7.628 -2.334 -4.741 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.367 -1.110 -4.258 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.755 -3.444 -3.779 1.00 0.00 C ATOM 0 H VAL A 28 5.812 -0.237 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 28 5.624 -2.965 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 28 8.098 -2.646 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.401 -1.373 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.345 -0.343 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.889 -0.729 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.809 -3.625 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.241 -3.184 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.309 -4.344 -4.201 1.00 0.00 H new ATOM 448 N LEU A 29 5.049 -2.176 -2.962 1.00 0.00 N ATOM 449 CA LEU A 29 4.490 -1.770 -1.708 1.00 0.00 C ATOM 450 C LEU A 29 4.824 -2.837 -0.673 1.00 0.00 C ATOM 451 O LEU A 29 4.784 -4.024 -0.992 1.00 0.00 O ATOM 452 CB LEU A 29 2.963 -1.652 -1.793 1.00 0.00 C ATOM 453 CG LEU A 29 2.358 -0.455 -2.527 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.859 -0.630 -2.639 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.653 0.828 -1.783 1.00 0.00 C ATOM 0 H LEU A 29 5.090 -3.190 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 29 4.903 -0.798 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.588 -2.557 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.575 -1.646 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 29 2.801 -0.400 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.431 0.225 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.640 -1.542 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.425 -0.699 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.215 1.669 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.226 0.774 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.732 0.967 -1.710 1.00 0.00 H new ATOM 467 N THR A 30 5.210 -2.438 0.513 1.00 0.00 N ATOM 468 CA THR A 30 5.383 -3.384 1.603 1.00 0.00 C ATOM 469 C THR A 30 4.003 -3.783 2.166 1.00 0.00 C ATOM 470 O THR A 30 3.112 -2.933 2.271 1.00 0.00 O ATOM 471 CB THR A 30 6.267 -2.824 2.763 1.00 0.00 C ATOM 472 OG1 THR A 30 5.826 -1.537 3.201 1.00 0.00 O ATOM 473 CG2 THR A 30 7.731 -2.772 2.399 1.00 0.00 C ATOM 0 H THR A 30 5.412 -1.468 0.755 1.00 0.00 H new ATOM 0 HA THR A 30 5.900 -4.251 1.190 1.00 0.00 H new ATOM 0 HB THR A 30 6.151 -3.527 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.903 -0.896 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.301 -2.376 3.239 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.083 -3.776 2.163 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.867 -2.127 1.531 1.00 0.00 H new ATOM 481 N TYR A 31 3.832 -5.054 2.535 1.00 0.00 N ATOM 482 CA TYR A 31 2.544 -5.549 3.070 1.00 0.00 C ATOM 483 C TYR A 31 2.114 -4.744 4.273 1.00 0.00 C ATOM 484 O TYR A 31 0.953 -4.355 4.404 1.00 0.00 O ATOM 485 CB TYR A 31 2.616 -7.018 3.517 1.00 0.00 C ATOM 486 CG TYR A 31 2.924 -8.030 2.448 1.00 0.00 C ATOM 487 CD1 TYR A 31 4.059 -8.802 2.525 1.00 0.00 C ATOM 488 CD2 TYR A 31 2.078 -8.218 1.378 1.00 0.00 C ATOM 489 CE1 TYR A 31 4.356 -9.738 1.563 1.00 0.00 C ATOM 490 CE2 TYR A 31 2.359 -9.152 0.409 1.00 0.00 C ATOM 491 CZ TYR A 31 3.500 -9.910 0.508 1.00 0.00 C ATOM 492 OH TYR A 31 3.789 -10.844 -0.456 1.00 0.00 O ATOM 0 H TYR A 31 4.562 -5.764 2.477 1.00 0.00 H new ATOM 0 HA TYR A 31 1.831 -5.450 2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.375 -7.101 4.295 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.662 -7.283 3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.732 -8.670 3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.180 -7.623 1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.255 -10.332 1.638 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.687 -9.289 -0.425 1.00 0.00 H new ATOM 0 HH TYR A 31 4.347 -10.435 -1.150 1.00 0.00 H new ATOM 502 N GLU A 32 3.065 -4.445 5.126 1.00 0.00 N ATOM 503 CA GLU A 32 2.759 -3.789 6.357 1.00 0.00 C ATOM 504 C GLU A 32 2.403 -2.317 6.216 1.00 0.00 C ATOM 505 O GLU A 32 1.804 -1.751 7.122 1.00 0.00 O ATOM 506 CB GLU A 32 3.807 -4.044 7.425 1.00 0.00 C ATOM 507 CG GLU A 32 3.947 -5.518 7.747 1.00 0.00 C ATOM 508 CD GLU A 32 4.451 -5.763 9.137 1.00 0.00 C ATOM 509 OE1 GLU A 32 3.615 -5.774 10.082 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.660 -5.975 9.326 1.00 0.00 O ATOM 0 H GLU A 32 4.054 -4.649 4.983 1.00 0.00 H new ATOM 0 HA GLU A 32 1.837 -4.257 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.768 -3.654 7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.541 -3.499 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.980 -6.005 7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.629 -5.978 7.032 1.00 0.00 H new ATOM 517 N GLU A 33 2.718 -1.694 5.084 1.00 0.00 N ATOM 518 CA GLU A 33 2.307 -0.310 4.906 1.00 0.00 C ATOM 519 C GLU A 33 0.922 -0.308 4.285 1.00 0.00 C ATOM 520 O GLU A 33 0.136 0.627 4.456 1.00 0.00 O ATOM 521 CB GLU A 33 3.278 0.484 4.046 1.00 0.00 C ATOM 522 CG GLU A 33 3.225 0.156 2.579 1.00 0.00 C ATOM 523 CD GLU A 33 4.247 0.885 1.817 1.00 0.00 C ATOM 524 OE1 GLU A 33 5.198 0.243 1.329 1.00 0.00 O ATOM 525 OE2 GLU A 33 4.146 2.129 1.706 1.00 0.00 O ATOM 0 H GLU A 33 3.235 -2.106 4.307 1.00 0.00 H new ATOM 0 HA GLU A 33 2.297 0.179 5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.073 1.547 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.291 0.309 4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.366 -0.916 2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.237 0.401 2.188 1.00 0.00 H new ATOM 532 N ILE A 34 0.620 -1.390 3.584 1.00 0.00 N ATOM 533 CA ILE A 34 -0.672 -1.575 3.004 1.00 0.00 C ATOM 534 C ILE A 34 -1.659 -1.786 4.114 1.00 0.00 C ATOM 535 O ILE A 34 -2.728 -1.175 4.134 1.00 0.00 O ATOM 536 CB ILE A 34 -0.695 -2.754 2.016 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.262 -2.460 0.867 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.111 -2.983 1.495 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.388 -3.569 -0.134 1.00 0.00 C ATOM 0 H ILE A 34 1.272 -2.155 3.410 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.937 -0.688 2.429 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.375 -3.663 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.073 -1.559 0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.248 -2.244 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.111 -3.820 0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.774 -3.207 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.461 -2.085 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.088 -3.275 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.755 -4.467 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.587 -3.772 -0.577 1.00 0.00 H new ATOM 551 N ALA A 35 -1.255 -2.580 5.127 1.00 0.00 N ATOM 552 CA ALA A 35 -2.036 -2.864 6.293 1.00 0.00 C ATOM 553 C ALA A 35 -2.184 -1.614 7.146 1.00 0.00 C ATOM 554 O ALA A 35 -3.164 -1.434 7.846 1.00 0.00 O ATOM 555 CB ALA A 35 -1.401 -3.988 7.098 1.00 0.00 C ATOM 0 H ALA A 35 -0.346 -3.043 5.132 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.028 -3.187 5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.007 -4.191 7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.342 -4.887 6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.398 -3.693 7.407 1.00 0.00 H new ATOM 561 N GLU A 36 -1.175 -0.744 7.047 1.00 0.00 N ATOM 562 CA GLU A 36 -1.034 0.460 7.855 1.00 0.00 C ATOM 563 C GLU A 36 -2.192 1.406 7.611 1.00 0.00 C ATOM 564 O GLU A 36 -2.837 1.870 8.554 1.00 0.00 O ATOM 565 CB GLU A 36 0.364 1.085 7.559 1.00 0.00 C ATOM 566 CG GLU A 36 0.811 2.298 8.380 1.00 0.00 C ATOM 567 CD GLU A 36 0.255 3.614 7.918 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.642 4.070 6.832 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.536 4.238 8.666 1.00 0.00 O ATOM 0 H GLU A 36 -0.413 -0.866 6.380 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.075 0.227 8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.111 0.302 7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.383 1.371 6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.521 2.142 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.899 2.352 8.358 1.00 0.00 H new ATOM 576 N ARG A 37 -2.496 1.648 6.354 1.00 0.00 N ATOM 577 CA ARG A 37 -3.614 2.512 5.998 1.00 0.00 C ATOM 578 C ARG A 37 -4.941 1.816 6.252 1.00 0.00 C ATOM 579 O ARG A 37 -5.948 2.460 6.550 1.00 0.00 O ATOM 580 CB ARG A 37 -3.503 2.946 4.536 1.00 0.00 C ATOM 581 CG ARG A 37 -2.201 3.641 4.221 1.00 0.00 C ATOM 582 CD ARG A 37 -2.076 4.936 5.006 1.00 0.00 C ATOM 583 NE ARG A 37 -0.707 5.442 5.041 1.00 0.00 N ATOM 584 CZ ARG A 37 -0.294 6.610 4.567 1.00 0.00 C ATOM 585 NH1 ARG A 37 -1.075 7.342 3.762 1.00 0.00 N ATOM 586 NH2 ARG A 37 0.933 7.030 4.868 1.00 0.00 N ATOM 0 H ARG A 37 -1.988 1.262 5.558 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.575 3.400 6.629 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.605 2.070 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.331 3.614 4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.365 2.983 4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.145 3.851 3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.727 5.690 4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.425 4.774 6.026 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.003 4.842 5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.002 7.003 3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.743 8.238 3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.539 6.456 5.454 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.267 7.926 4.512 1.00 0.00 H new ATOM 600 N MET A 38 -4.924 0.502 6.181 1.00 0.00 N ATOM 601 CA MET A 38 -6.130 -0.290 6.357 1.00 0.00 C ATOM 602 C MET A 38 -6.434 -0.525 7.823 1.00 0.00 C ATOM 603 O MET A 38 -7.516 -1.000 8.161 1.00 0.00 O ATOM 604 CB MET A 38 -6.024 -1.634 5.650 1.00 0.00 C ATOM 605 CG MET A 38 -5.810 -1.547 4.163 1.00 0.00 C ATOM 606 SD MET A 38 -7.118 -0.660 3.316 1.00 0.00 S ATOM 607 CE MET A 38 -6.570 -0.854 1.628 1.00 0.00 C ATOM 0 H MET A 38 -4.083 -0.047 6.001 1.00 0.00 H new ATOM 0 HA MET A 38 -6.943 0.284 5.913 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.200 -2.196 6.090 1.00 0.00 H new ATOM 0 HB3 MET A 38 -6.935 -2.202 5.840 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.858 -1.053 3.967 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.737 -2.554 3.753 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.847 0.029 1.052 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.487 -0.975 1.609 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.041 -1.734 1.191 1.00 0.00 H new ATOM 617 N SER A 39 -5.497 -0.160 8.696 1.00 0.00 N ATOM 618 CA SER A 39 -5.639 -0.367 10.134 1.00 0.00 C ATOM 619 C SER A 39 -6.876 0.348 10.678 1.00 0.00 C ATOM 620 O SER A 39 -7.496 -0.110 11.629 1.00 0.00 O ATOM 621 CB SER A 39 -4.378 0.104 10.869 1.00 0.00 C ATOM 622 OG SER A 39 -3.215 -0.570 10.390 1.00 0.00 O ATOM 0 H SER A 39 -4.620 0.286 8.426 1.00 0.00 H new ATOM 0 HA SER A 39 -5.768 -1.435 10.309 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.258 1.179 10.737 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.490 -0.075 11.938 1.00 0.00 H new ATOM 0 HG SER A 39 -3.417 -1.003 9.534 1.00 0.00 H new ATOM 628 N SER A 40 -7.240 1.447 10.043 1.00 0.00 N ATOM 629 CA SER A 40 -8.407 2.208 10.413 1.00 0.00 C ATOM 630 C SER A 40 -9.699 1.370 10.223 1.00 0.00 C ATOM 631 O SER A 40 -10.661 1.509 10.980 1.00 0.00 O ATOM 632 CB SER A 40 -8.442 3.453 9.539 1.00 0.00 C ATOM 633 OG SER A 40 -7.168 4.096 9.556 1.00 0.00 O ATOM 0 H SER A 40 -6.727 1.835 9.251 1.00 0.00 H new ATOM 0 HA SER A 40 -8.356 2.484 11.466 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.709 3.183 8.517 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.210 4.138 9.898 1.00 0.00 H new ATOM 0 HG SER A 40 -7.197 4.895 8.990 1.00 0.00 H new ATOM 639 N PHE A 41 -9.690 0.498 9.222 1.00 0.00 N ATOM 640 CA PHE A 41 -10.840 -0.351 8.897 1.00 0.00 C ATOM 641 C PHE A 41 -10.736 -1.706 9.578 1.00 0.00 C ATOM 642 O PHE A 41 -11.754 -2.350 9.849 1.00 0.00 O ATOM 643 CB PHE A 41 -10.882 -0.574 7.388 1.00 0.00 C ATOM 644 CG PHE A 41 -10.833 0.687 6.625 1.00 0.00 C ATOM 645 CD1 PHE A 41 -11.878 1.588 6.670 1.00 0.00 C ATOM 646 CD2 PHE A 41 -9.717 0.990 5.887 1.00 0.00 C ATOM 647 CE1 PHE A 41 -11.797 2.773 5.987 1.00 0.00 C ATOM 648 CE2 PHE A 41 -9.630 2.159 5.202 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.667 3.056 5.251 1.00 0.00 C ATOM 0 H PHE A 41 -8.887 0.356 8.610 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.743 0.150 9.246 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.043 -1.204 7.094 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.792 -1.115 7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -12.762 1.358 7.246 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.896 0.289 5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -12.613 3.480 6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.748 2.382 4.621 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.597 3.988 4.710 1.00 0.00 H new ATOM 659 N GLU A 42 -9.506 -2.117 9.847 1.00 0.00 N ATOM 660 CA GLU A 42 -9.188 -3.440 10.376 1.00 0.00 C ATOM 661 C GLU A 42 -9.587 -4.493 9.352 1.00 0.00 C ATOM 662 O GLU A 42 -10.610 -5.180 9.485 1.00 0.00 O ATOM 663 CB GLU A 42 -9.818 -3.715 11.756 1.00 0.00 C ATOM 664 CG GLU A 42 -9.332 -2.789 12.860 1.00 0.00 C ATOM 665 CD GLU A 42 -9.921 -3.140 14.198 1.00 0.00 C ATOM 666 OE1 GLU A 42 -10.861 -2.459 14.661 1.00 0.00 O ATOM 667 OE2 GLU A 42 -9.459 -4.123 14.814 1.00 0.00 O ATOM 0 H GLU A 42 -8.684 -1.531 9.702 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.112 -3.484 10.546 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.901 -3.625 11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.605 -4.745 12.041 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.245 -2.838 12.920 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.592 -1.760 12.609 1.00 0.00 H new ATOM 674 N ILE A 43 -8.816 -4.546 8.301 1.00 0.00 N ATOM 675 CA ILE A 43 -9.087 -5.402 7.176 1.00 0.00 C ATOM 676 C ILE A 43 -8.505 -6.780 7.387 1.00 0.00 C ATOM 677 O ILE A 43 -7.360 -6.941 7.816 1.00 0.00 O ATOM 678 CB ILE A 43 -8.538 -4.770 5.862 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.237 -3.447 5.579 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.692 -5.700 4.672 1.00 0.00 C ATOM 681 CD1 ILE A 43 -10.705 -3.602 5.260 1.00 0.00 C ATOM 0 H ILE A 43 -7.968 -3.988 8.199 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.168 -5.505 7.085 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.472 -4.595 6.009 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.128 -2.794 6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.741 -2.954 4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.296 -5.217 3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.144 -6.623 4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.747 -5.928 4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.141 -2.622 5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.821 -4.229 4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.214 -4.067 6.104 1.00 0.00 H new ATOM 693 N GLU A 44 -9.326 -7.747 7.095 1.00 0.00 N ATOM 694 CA GLU A 44 -8.995 -9.145 7.161 1.00 0.00 C ATOM 695 C GLU A 44 -7.950 -9.494 6.139 1.00 0.00 C ATOM 696 O GLU A 44 -7.892 -8.887 5.056 1.00 0.00 O ATOM 697 CB GLU A 44 -10.242 -9.954 6.865 1.00 0.00 C ATOM 698 CG GLU A 44 -11.334 -9.774 7.881 1.00 0.00 C ATOM 699 CD GLU A 44 -10.932 -10.312 9.219 1.00 0.00 C ATOM 700 OE1 GLU A 44 -10.728 -11.534 9.332 1.00 0.00 O ATOM 701 OE2 GLU A 44 -10.825 -9.529 10.188 1.00 0.00 O ATOM 0 H GLU A 44 -10.285 -7.578 6.791 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.609 -9.367 8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.622 -9.673 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.976 -11.010 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.577 -8.715 7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.237 -10.281 7.540 1.00 0.00 H new ATOM 708 N SER A 45 -7.174 -10.497 6.452 1.00 0.00 N ATOM 709 CA SER A 45 -6.156 -11.002 5.580 1.00 0.00 C ATOM 710 C SER A 45 -6.786 -11.500 4.264 1.00 0.00 C ATOM 711 O SER A 45 -6.170 -11.417 3.207 1.00 0.00 O ATOM 712 CB SER A 45 -5.418 -12.109 6.306 1.00 0.00 C ATOM 713 OG SER A 45 -4.884 -11.618 7.535 1.00 0.00 O ATOM 0 H SER A 45 -7.236 -10.994 7.340 1.00 0.00 H new ATOM 0 HA SER A 45 -5.447 -10.217 5.318 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.095 -12.941 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.614 -12.493 5.679 1.00 0.00 H new ATOM 0 HG SER A 45 -4.411 -12.341 7.998 1.00 0.00 H new ATOM 719 N ASP A 46 -8.045 -11.954 4.352 1.00 0.00 N ATOM 720 CA ASP A 46 -8.839 -12.383 3.183 1.00 0.00 C ATOM 721 C ASP A 46 -8.930 -11.251 2.176 1.00 0.00 C ATOM 722 O ASP A 46 -8.568 -11.399 1.008 1.00 0.00 O ATOM 723 CB ASP A 46 -10.278 -12.739 3.602 1.00 0.00 C ATOM 724 CG ASP A 46 -10.370 -13.867 4.588 1.00 0.00 C ATOM 725 OD1 ASP A 46 -10.069 -13.652 5.776 1.00 0.00 O ATOM 726 OD2 ASP A 46 -10.762 -14.981 4.209 1.00 0.00 O ATOM 0 H ASP A 46 -8.546 -12.036 5.237 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.346 -13.253 2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.748 -11.855 4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.849 -13.002 2.712 1.00 0.00 H new ATOM 731 N GLN A 47 -9.377 -10.092 2.659 1.00 0.00 N ATOM 732 CA GLN A 47 -9.573 -8.933 1.801 1.00 0.00 C ATOM 733 C GLN A 47 -8.221 -8.370 1.404 1.00 0.00 C ATOM 734 O GLN A 47 -8.059 -7.826 0.320 1.00 0.00 O ATOM 735 CB GLN A 47 -10.361 -7.829 2.504 1.00 0.00 C ATOM 736 CG GLN A 47 -11.587 -8.274 3.287 1.00 0.00 C ATOM 737 CD GLN A 47 -12.432 -7.102 3.773 1.00 0.00 C ATOM 738 OE1 GLN A 47 -13.037 -7.167 4.838 1.00 0.00 O ATOM 739 NE2 GLN A 47 -12.523 -6.062 2.985 1.00 0.00 N ATOM 0 H GLN A 47 -9.609 -9.935 3.640 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.137 -9.262 0.929 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.688 -7.309 3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.678 -7.104 1.755 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.199 -8.922 2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.270 -8.868 4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.006 -6.041 2.106 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.111 -5.272 3.249 1.00 0.00 H new ATOM 748 N MET A 48 -7.245 -8.498 2.301 1.00 0.00 N ATOM 749 CA MET A 48 -5.906 -8.022 2.020 1.00 0.00 C ATOM 750 C MET A 48 -5.306 -8.773 0.844 1.00 0.00 C ATOM 751 O MET A 48 -4.793 -8.161 -0.068 1.00 0.00 O ATOM 752 CB MET A 48 -4.966 -8.095 3.238 1.00 0.00 C ATOM 753 CG MET A 48 -5.198 -7.044 4.334 1.00 0.00 C ATOM 754 SD MET A 48 -4.479 -5.386 4.005 1.00 0.00 S ATOM 755 CE MET A 48 -5.290 -4.845 2.502 1.00 0.00 C ATOM 0 H MET A 48 -7.362 -8.925 3.220 1.00 0.00 H new ATOM 0 HA MET A 48 -6.004 -6.967 1.765 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.061 -9.084 3.686 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.939 -8.002 2.885 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.272 -6.932 4.484 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.783 -7.422 5.269 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.059 -3.795 2.322 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.937 -5.443 1.662 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.368 -4.967 2.606 1.00 0.00 H new ATOM 765 N ASP A 49 -5.415 -10.109 0.867 1.00 0.00 N ATOM 766 CA ASP A 49 -4.908 -10.986 -0.224 1.00 0.00 C ATOM 767 C ASP A 49 -5.568 -10.619 -1.528 1.00 0.00 C ATOM 768 O ASP A 49 -4.913 -10.526 -2.569 1.00 0.00 O ATOM 769 CB ASP A 49 -5.212 -12.458 0.089 1.00 0.00 C ATOM 770 CG ASP A 49 -4.701 -13.427 -0.972 1.00 0.00 C ATOM 771 OD1 ASP A 49 -5.452 -13.764 -1.927 1.00 0.00 O ATOM 772 OD2 ASP A 49 -3.558 -13.891 -0.853 1.00 0.00 O ATOM 0 H ASP A 49 -5.853 -10.620 1.633 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.830 -10.847 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.766 -12.716 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.290 -12.583 0.194 1.00 0.00 H new ATOM 777 N GLU A 50 -6.860 -10.378 -1.443 1.00 0.00 N ATOM 778 CA GLU A 50 -7.667 -9.983 -2.579 1.00 0.00 C ATOM 779 C GLU A 50 -7.126 -8.663 -3.156 1.00 0.00 C ATOM 780 O GLU A 50 -6.955 -8.518 -4.373 1.00 0.00 O ATOM 781 CB GLU A 50 -9.124 -9.843 -2.128 1.00 0.00 C ATOM 782 CG GLU A 50 -10.132 -9.629 -3.240 1.00 0.00 C ATOM 783 CD GLU A 50 -11.541 -9.611 -2.710 1.00 0.00 C ATOM 784 OE1 GLU A 50 -12.050 -10.684 -2.321 1.00 0.00 O ATOM 785 OE2 GLU A 50 -12.170 -8.533 -2.671 1.00 0.00 O ATOM 0 H GLU A 50 -7.386 -10.452 -0.572 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.620 -10.738 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.403 -10.740 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.192 -9.006 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.921 -8.688 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.031 -10.421 -3.982 1.00 0.00 H new ATOM 792 N TYR A 51 -6.799 -7.734 -2.267 1.00 0.00 N ATOM 793 CA TYR A 51 -6.224 -6.465 -2.664 1.00 0.00 C ATOM 794 C TYR A 51 -4.813 -6.683 -3.216 1.00 0.00 C ATOM 795 O TYR A 51 -4.428 -6.030 -4.175 1.00 0.00 O ATOM 796 CB TYR A 51 -6.237 -5.464 -1.512 1.00 0.00 C ATOM 797 CG TYR A 51 -5.725 -4.090 -1.892 1.00 0.00 C ATOM 798 CD1 TYR A 51 -4.783 -3.442 -1.108 1.00 0.00 C ATOM 799 CD2 TYR A 51 -6.168 -3.450 -3.053 1.00 0.00 C ATOM 800 CE1 TYR A 51 -4.303 -2.198 -1.458 1.00 0.00 C ATOM 801 CE2 TYR A 51 -5.689 -2.210 -3.398 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.760 -1.592 -2.601 1.00 0.00 C ATOM 803 OH TYR A 51 -4.268 -0.371 -2.959 1.00 0.00 O ATOM 0 H TYR A 51 -6.925 -7.841 -1.261 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.836 -6.035 -3.457 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.256 -5.371 -1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.630 -5.855 -0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.420 -3.919 -0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.895 -3.936 -3.686 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.572 -1.703 -0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.043 -1.723 -4.295 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.975 0.303 -2.878 1.00 0.00 H new ATOM 813 N TYR A 52 -4.041 -7.584 -2.625 1.00 0.00 N ATOM 814 CA TYR A 52 -2.679 -7.862 -3.081 1.00 0.00 C ATOM 815 C TYR A 52 -2.674 -8.389 -4.493 1.00 0.00 C ATOM 816 O TYR A 52 -1.837 -8.009 -5.317 1.00 0.00 O ATOM 817 CB TYR A 52 -1.931 -8.830 -2.149 1.00 0.00 C ATOM 818 CG TYR A 52 -1.705 -8.298 -0.752 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.822 -9.124 0.352 1.00 0.00 C ATOM 820 CD2 TYR A 52 -1.389 -6.968 -0.534 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.627 -8.638 1.624 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.197 -6.487 0.734 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.314 -7.322 1.805 1.00 0.00 C ATOM 824 OH TYR A 52 -1.105 -6.842 3.067 1.00 0.00 O ATOM 0 H TYR A 52 -4.334 -8.141 -1.822 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.147 -6.911 -3.058 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.494 -9.761 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.966 -9.071 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.070 -10.166 0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.292 -6.299 -1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.721 -9.295 2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.953 -5.446 0.885 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.891 -5.887 3.022 1.00 0.00 H new ATOM 834 N GLU A 53 -3.614 -9.266 -4.770 1.00 0.00 N ATOM 835 CA GLU A 53 -3.794 -9.828 -6.079 1.00 0.00 C ATOM 836 C GLU A 53 -4.205 -8.726 -7.053 1.00 0.00 C ATOM 837 O GLU A 53 -3.684 -8.653 -8.169 1.00 0.00 O ATOM 838 CB GLU A 53 -4.851 -10.906 -5.989 1.00 0.00 C ATOM 839 CG GLU A 53 -4.960 -11.803 -7.194 1.00 0.00 C ATOM 840 CD GLU A 53 -5.945 -12.899 -6.942 1.00 0.00 C ATOM 841 OE1 GLU A 53 -7.076 -12.818 -7.454 1.00 0.00 O ATOM 842 OE2 GLU A 53 -5.631 -13.841 -6.163 1.00 0.00 O ATOM 0 H GLU A 53 -4.281 -9.610 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.867 -10.268 -6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.643 -11.523 -5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.818 -10.431 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.269 -11.220 -8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.984 -12.229 -7.427 1.00 0.00 H new ATOM 849 N PHE A 54 -5.105 -7.848 -6.596 1.00 0.00 N ATOM 850 CA PHE A 54 -5.535 -6.697 -7.355 1.00 0.00 C ATOM 851 C PHE A 54 -4.332 -5.823 -7.727 1.00 0.00 C ATOM 852 O PHE A 54 -4.152 -5.457 -8.886 1.00 0.00 O ATOM 853 CB PHE A 54 -6.573 -5.889 -6.546 1.00 0.00 C ATOM 854 CG PHE A 54 -6.829 -4.516 -7.085 1.00 0.00 C ATOM 855 CD1 PHE A 54 -6.148 -3.441 -6.557 1.00 0.00 C ATOM 856 CD2 PHE A 54 -7.713 -4.301 -8.120 1.00 0.00 C ATOM 857 CE1 PHE A 54 -6.331 -2.181 -7.041 1.00 0.00 C ATOM 858 CE2 PHE A 54 -7.907 -3.026 -8.611 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.206 -1.969 -8.066 1.00 0.00 C ATOM 0 H PHE A 54 -5.551 -7.928 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.005 -7.036 -8.278 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.512 -6.441 -6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.230 -5.805 -5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.456 -3.600 -5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.255 -5.132 -8.548 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.785 -1.352 -6.615 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.604 -2.856 -9.418 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.351 -0.971 -8.452 1.00 0.00 H new ATOM 869 N LEU A 55 -3.532 -5.489 -6.730 1.00 0.00 N ATOM 870 CA LEU A 55 -2.331 -4.686 -6.919 1.00 0.00 C ATOM 871 C LEU A 55 -1.369 -5.319 -7.910 1.00 0.00 C ATOM 872 O LEU A 55 -0.783 -4.632 -8.763 1.00 0.00 O ATOM 873 CB LEU A 55 -1.646 -4.424 -5.591 1.00 0.00 C ATOM 874 CG LEU A 55 -2.371 -3.486 -4.642 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.612 -3.383 -3.342 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.532 -2.105 -5.278 1.00 0.00 C ATOM 0 H LEU A 55 -3.695 -5.767 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.644 -3.732 -7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.500 -5.379 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.656 -4.014 -5.790 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.364 -3.887 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.138 -2.709 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.538 -4.370 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.611 -2.996 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.053 -1.444 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.549 -1.692 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.108 -2.193 -6.199 1.00 0.00 H new ATOM 888 N GLY A 56 -1.233 -6.629 -7.786 1.00 0.00 N ATOM 889 CA GLY A 56 -0.385 -7.387 -8.685 1.00 0.00 C ATOM 890 C GLY A 56 -0.850 -7.274 -10.122 1.00 0.00 C ATOM 891 O GLY A 56 -0.031 -7.201 -11.036 1.00 0.00 O ATOM 0 H GLY A 56 -1.700 -7.188 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.641 -7.029 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.381 -8.435 -8.385 1.00 0.00 H new ATOM 895 N GLU A 57 -2.161 -7.267 -10.321 1.00 0.00 N ATOM 896 CA GLU A 57 -2.747 -7.107 -11.624 1.00 0.00 C ATOM 897 C GLU A 57 -2.417 -5.748 -12.234 1.00 0.00 C ATOM 898 O GLU A 57 -2.207 -5.632 -13.441 1.00 0.00 O ATOM 899 CB GLU A 57 -4.255 -7.263 -11.533 1.00 0.00 C ATOM 900 CG GLU A 57 -4.726 -8.647 -11.145 1.00 0.00 C ATOM 901 CD GLU A 57 -4.224 -9.696 -12.089 1.00 0.00 C ATOM 902 OE1 GLU A 57 -3.259 -10.406 -11.748 1.00 0.00 O ATOM 903 OE2 GLU A 57 -4.764 -9.817 -13.207 1.00 0.00 O ATOM 0 H GLU A 57 -2.844 -7.374 -9.571 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.327 -7.878 -12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.637 -6.547 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.692 -7.002 -12.497 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.386 -8.876 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.816 -8.667 -11.127 1.00 0.00 H new ATOM 910 N GLN A 58 -2.374 -4.716 -11.394 1.00 0.00 N ATOM 911 CA GLN A 58 -2.131 -3.364 -11.858 1.00 0.00 C ATOM 912 C GLN A 58 -0.653 -3.182 -12.136 1.00 0.00 C ATOM 913 O GLN A 58 -0.279 -2.593 -13.142 1.00 0.00 O ATOM 914 CB GLN A 58 -2.621 -2.349 -10.811 1.00 0.00 C ATOM 915 CG GLN A 58 -4.051 -2.611 -10.339 1.00 0.00 C ATOM 916 CD GLN A 58 -5.044 -2.710 -11.484 1.00 0.00 C ATOM 917 OE1 GLN A 58 -4.899 -2.060 -12.512 1.00 0.00 O ATOM 918 NE2 GLN A 58 -6.014 -3.565 -11.340 1.00 0.00 N ATOM 0 H GLN A 58 -2.506 -4.797 -10.386 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.684 -3.192 -12.781 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.952 -2.373 -9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.563 -1.346 -11.233 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.074 -3.537 -9.764 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.359 -1.810 -9.667 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.106 -4.090 -10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.682 -3.710 -12.097 1.00 0.00 H new ATOM 927 N GLY A 59 0.169 -3.650 -11.238 1.00 0.00 N ATOM 928 CA GLY A 59 1.596 -3.627 -11.475 1.00 0.00 C ATOM 929 C GLY A 59 2.395 -3.288 -10.246 1.00 0.00 C ATOM 930 O GLY A 59 3.424 -2.598 -10.324 1.00 0.00 O ATOM 0 H GLY A 59 -0.115 -4.049 -10.343 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.912 -4.601 -11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.816 -2.899 -12.256 1.00 0.00 H new ATOM 934 N VAL A 60 1.944 -3.758 -9.117 1.00 0.00 N ATOM 935 CA VAL A 60 2.608 -3.482 -7.874 1.00 0.00 C ATOM 936 C VAL A 60 3.035 -4.782 -7.253 1.00 0.00 C ATOM 937 O VAL A 60 2.223 -5.688 -7.084 1.00 0.00 O ATOM 938 CB VAL A 60 1.678 -2.764 -6.875 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.448 -2.338 -5.638 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.970 -1.583 -7.519 1.00 0.00 C ATOM 0 H VAL A 60 1.111 -4.340 -9.032 1.00 0.00 H new ATOM 0 HA VAL A 60 3.460 -2.837 -8.087 1.00 0.00 H new ATOM 0 HB VAL A 60 0.908 -3.472 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.774 -1.833 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.874 -3.217 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.250 -1.657 -5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.324 -1.102 -6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.709 -0.866 -7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.369 -1.933 -8.358 1.00 0.00 H new ATOM 950 N GLU A 61 4.287 -4.876 -6.942 1.00 0.00 N ATOM 951 CA GLU A 61 4.814 -6.027 -6.276 1.00 0.00 C ATOM 952 C GLU A 61 4.738 -5.798 -4.799 1.00 0.00 C ATOM 953 O GLU A 61 5.059 -4.715 -4.324 1.00 0.00 O ATOM 954 CB GLU A 61 6.237 -6.250 -6.727 1.00 0.00 C ATOM 955 CG GLU A 61 6.298 -6.581 -8.193 1.00 0.00 C ATOM 956 CD GLU A 61 7.695 -6.664 -8.729 1.00 0.00 C ATOM 957 OE1 GLU A 61 8.187 -5.662 -9.291 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.316 -7.728 -8.612 1.00 0.00 O ATOM 0 H GLU A 61 4.978 -4.154 -7.143 1.00 0.00 H new ATOM 0 HA GLU A 61 4.237 -6.919 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.828 -5.356 -6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.681 -7.061 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.795 -7.533 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.747 -5.824 -8.752 1.00 0.00 H new ATOM 965 N LEU A 62 4.261 -6.755 -4.078 1.00 0.00 N ATOM 966 CA LEU A 62 4.140 -6.596 -2.671 1.00 0.00 C ATOM 967 C LEU A 62 5.280 -7.274 -1.946 1.00 0.00 C ATOM 968 O LEU A 62 5.401 -8.501 -1.955 1.00 0.00 O ATOM 969 CB LEU A 62 2.804 -7.123 -2.162 1.00 0.00 C ATOM 970 CG LEU A 62 1.531 -6.581 -2.814 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.596 -5.100 -3.100 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.100 -7.385 -4.015 1.00 0.00 C ATOM 0 H LEU A 62 3.949 -7.656 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 62 4.184 -5.527 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.805 -8.207 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.747 -6.917 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 62 0.746 -6.706 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.663 -4.777 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.746 -4.556 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.426 -4.896 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.192 -6.953 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.890 -7.370 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.906 -8.414 -3.713 1.00 0.00 H new ATOM 984 N ILE A 63 6.120 -6.479 -1.344 1.00 0.00 N ATOM 985 CA ILE A 63 7.221 -6.993 -0.570 1.00 0.00 C ATOM 986 C ILE A 63 6.853 -6.996 0.897 1.00 0.00 C ATOM 987 O ILE A 63 5.831 -6.447 1.277 1.00 0.00 O ATOM 988 CB ILE A 63 8.524 -6.186 -0.764 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.338 -4.714 -0.404 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.020 -6.326 -2.169 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.606 -3.876 -0.516 1.00 0.00 C ATOM 0 H ILE A 63 6.064 -5.461 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 63 7.411 -8.006 -0.925 1.00 0.00 H new ATOM 0 HB ILE A 63 9.271 -6.596 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.575 -4.286 -1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.961 -4.646 0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.939 -5.752 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.218 -7.376 -2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.265 -5.952 -2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.385 -2.844 -0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.366 -4.275 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.975 -3.909 -1.541 1.00 0.00 H new