USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 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 76 THR OG1 : rot 162:sc= -0.454 USER MOD Set 1.2: A 78 ASN : amide:sc= -0.248 K(o=-0.62,f=-1.2) USER MOD Set 1.3: A 79 ASN : amide:sc= 0.0851 K(o=-0.62,f=-5.2!) USER MOD Single : A 13 ASN : amide:sc= -0.951 X(o=-0.95,f=-0.95) USER MOD Single : A 14 HIS : no HD1:sc= -2.74 K(o=-2.7,f=-4) USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.00898 USER MOD Single : A 20 ASN : amide:sc= 0.909 K(o=0.91,f=-0.67) USER MOD Single : A 25 THR OG1 : rot -94:sc= -1.79 USER MOD Single : A 26 ASN : amide:sc= -7.24! C(o=-7.2!,f=-27!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.354 F(o=-1.4,f=-0.35) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-5.8!) USER MOD Single : A 59 ASN : amide:sc= -2.51 K(o=-2.5,f=-15!) USER MOD Single : A 62 GLN : amide:sc= -3.21 K(o=-3.2,f=-10!) USER MOD Single : A 71 GLN : amide:sc= 0.839 K(o=0.84,f=-0.064) USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= 0.00579 (180deg=5.71e-05) USER MOD Single : A 77 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.16) USER MOD Single : A 81 MET CE :methyl 167:sc= -0.361 (180deg=-1.22) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= -0.0179 (180deg=-0.418) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 172 N ASN A 13 -10.313 1.566 -3.309 1.00 0.00 N ATOM 173 CA ASN A 13 -9.534 2.431 -2.403 1.00 0.00 C ATOM 174 C ASN A 13 -8.379 3.183 -3.098 1.00 0.00 C ATOM 175 O ASN A 13 -8.163 4.329 -2.742 1.00 0.00 O ATOM 176 CB ASN A 13 -8.883 1.651 -1.236 1.00 0.00 C ATOM 177 CG ASN A 13 -9.483 0.276 -1.005 1.00 0.00 C ATOM 178 OD1 ASN A 13 -9.032 -0.674 -1.619 1.00 0.00 O ATOM 179 ND2 ASN A 13 -10.456 0.064 -0.184 1.00 0.00 N ATOM 0 HA ASN A 13 -10.283 3.136 -2.041 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.817 1.543 -1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.979 2.237 -0.322 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.826 -0.879 -0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.855 0.839 0.345 1.00 0.00 H new ATOM 186 N HIS A 14 -7.713 2.535 -3.994 1.00 0.00 N ATOM 187 CA HIS A 14 -6.556 3.061 -4.761 1.00 0.00 C ATOM 188 C HIS A 14 -5.511 3.734 -3.818 1.00 0.00 C ATOM 189 O HIS A 14 -4.668 4.522 -4.217 1.00 0.00 O ATOM 190 CB HIS A 14 -6.938 4.100 -5.809 1.00 0.00 C ATOM 191 CG HIS A 14 -7.748 5.240 -5.270 1.00 0.00 C ATOM 192 ND1 HIS A 14 -7.107 6.304 -4.645 1.00 0.00 N ATOM 193 CD2 HIS A 14 -9.063 5.581 -5.210 1.00 0.00 C ATOM 194 CE1 HIS A 14 -7.988 7.231 -4.232 1.00 0.00 C ATOM 195 NE2 HIS A 14 -9.205 6.814 -4.567 1.00 0.00 N ATOM 0 H HIS A 14 -7.946 1.575 -4.248 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.141 2.186 -5.261 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.029 4.496 -6.262 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.502 3.610 -6.603 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.876 4.988 -5.601 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.750 8.151 -3.719 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -10.082 7.304 -4.388 1.00 0.00 H new ATOM 204 N ILE A 15 -5.598 3.395 -2.542 1.00 0.00 N ATOM 205 CA ILE A 15 -4.684 4.041 -1.572 1.00 0.00 C ATOM 206 C ILE A 15 -4.358 2.972 -0.504 1.00 0.00 C ATOM 207 O ILE A 15 -5.228 2.641 0.245 1.00 0.00 O ATOM 208 CB ILE A 15 -5.250 5.282 -0.852 1.00 0.00 C ATOM 209 CG1 ILE A 15 -4.945 6.496 -1.751 1.00 0.00 C ATOM 210 CG2 ILE A 15 -4.500 5.398 0.460 1.00 0.00 C ATOM 211 CD1 ILE A 15 -5.112 7.811 -1.021 1.00 0.00 C ATOM 0 H ILE A 15 -6.251 2.714 -2.153 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.822 4.401 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.322 5.222 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.925 6.419 -2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.606 6.478 -2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.864 6.265 1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.661 4.497 1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.435 5.516 0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.885 8.634 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.139 7.903 -0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.432 7.844 -0.170 1.00 0.00 H new ATOM 223 N LEU A 16 -3.127 2.551 -0.495 1.00 0.00 N ATOM 224 CA LEU A 16 -2.632 1.570 0.537 1.00 0.00 C ATOM 225 C LEU A 16 -1.552 2.261 1.417 1.00 0.00 C ATOM 226 O LEU A 16 -0.464 2.603 1.001 1.00 0.00 O ATOM 227 CB LEU A 16 -2.049 0.369 -0.181 1.00 0.00 C ATOM 228 CG LEU A 16 -3.093 -0.184 -1.176 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.931 0.525 -2.503 1.00 0.00 C ATOM 230 CD2 LEU A 16 -2.869 -1.686 -1.363 1.00 0.00 C ATOM 0 H LEU A 16 -2.420 2.845 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.448 1.241 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.139 0.653 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.772 -0.401 0.539 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.099 -0.016 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.664 0.141 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.085 1.595 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.927 0.350 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.605 -2.079 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.866 -1.858 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.976 -2.192 -0.404 1.00 0.00 H new ATOM 242 N PHE A 17 -1.998 2.479 2.661 1.00 0.00 N ATOM 243 CA PHE A 17 -1.293 3.197 3.709 1.00 0.00 C ATOM 244 C PHE A 17 -1.181 2.215 4.893 1.00 0.00 C ATOM 245 O PHE A 17 -2.139 1.572 5.169 1.00 0.00 O ATOM 246 CB PHE A 17 -1.928 4.511 4.090 1.00 0.00 C ATOM 247 CG PHE A 17 -1.292 4.895 5.431 1.00 0.00 C ATOM 248 CD1 PHE A 17 0.064 5.248 5.474 1.00 0.00 C ATOM 249 CD2 PHE A 17 -2.037 4.900 6.607 1.00 0.00 C ATOM 250 CE1 PHE A 17 0.671 5.605 6.696 1.00 0.00 C ATOM 251 CE2 PHE A 17 -1.432 5.257 7.835 1.00 0.00 C ATOM 252 CZ PHE A 17 -0.092 5.605 7.876 1.00 0.00 C ATOM 0 H PHE A 17 -2.908 2.138 2.971 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.308 3.504 3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.740 5.273 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.010 4.413 4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.648 5.247 4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.082 4.630 6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.716 5.877 6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.017 5.258 8.743 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.367 5.876 8.815 1.00 0.00 H new ATOM 262 N LEU A 18 -0.010 2.154 5.388 1.00 0.00 N ATOM 263 CA LEU A 18 0.256 1.301 6.522 1.00 0.00 C ATOM 264 C LEU A 18 1.726 1.454 6.783 1.00 0.00 C ATOM 265 O LEU A 18 2.378 2.282 6.172 1.00 0.00 O ATOM 266 CB LEU A 18 -0.377 -0.053 6.624 1.00 0.00 C ATOM 267 CG LEU A 18 -1.667 0.053 7.486 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.209 -1.347 7.623 1.00 0.00 C ATOM 269 CD2 LEU A 18 -1.294 0.506 8.918 1.00 0.00 C ATOM 0 H LEU A 18 0.795 2.676 5.041 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.331 1.633 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.618 -0.431 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.319 -0.761 7.074 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.370 0.749 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.119 -1.328 8.223 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.434 -1.748 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.466 -1.979 8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.198 0.581 9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.617 -0.222 9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.804 1.479 8.876 1.00 0.00 H new ATOM 281 N THR A 19 2.166 0.791 7.722 1.00 0.00 N ATOM 282 CA THR A 19 3.519 0.900 8.187 1.00 0.00 C ATOM 283 C THR A 19 3.939 -0.519 8.545 1.00 0.00 C ATOM 284 O THR A 19 3.223 -1.476 8.345 1.00 0.00 O ATOM 285 CB THR A 19 3.477 1.682 9.526 1.00 0.00 C ATOM 286 OG1 THR A 19 3.245 0.766 10.571 1.00 0.00 O ATOM 287 CG2 THR A 19 2.286 2.655 9.421 1.00 0.00 C ATOM 0 H THR A 19 1.606 0.115 8.241 1.00 0.00 H new ATOM 0 HA THR A 19 4.174 1.375 7.457 1.00 0.00 H new ATOM 0 HB THR A 19 4.407 2.216 9.720 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.217 1.245 11.426 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.208 3.235 10.341 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.440 3.329 8.579 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.367 2.090 9.269 1.00 0.00 H new ATOM 295 N ASN A 20 5.079 -0.573 8.963 1.00 0.00 N ATOM 296 CA ASN A 20 5.792 -1.815 9.441 1.00 0.00 C ATOM 297 C ASN A 20 7.004 -2.090 8.541 1.00 0.00 C ATOM 298 O ASN A 20 7.247 -3.220 8.215 1.00 0.00 O ATOM 299 CB ASN A 20 4.878 -3.007 9.613 1.00 0.00 C ATOM 300 CG ASN A 20 5.534 -4.011 10.591 1.00 0.00 C ATOM 301 OD1 ASN A 20 5.010 -4.304 11.658 1.00 0.00 O ATOM 302 ND2 ASN A 20 6.661 -4.569 10.292 1.00 0.00 N ATOM 0 H ASN A 20 5.667 0.258 9.024 1.00 0.00 H new ATOM 0 HA ASN A 20 6.159 -1.630 10.450 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.910 -2.686 9.997 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.697 -3.484 8.650 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.089 -5.233 10.938 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.123 -4.346 9.410 1.00 0.00 H new ATOM 309 N LEU A 21 7.674 -1.034 8.212 1.00 0.00 N ATOM 310 CA LEU A 21 8.842 -1.209 7.308 1.00 0.00 C ATOM 311 C LEU A 21 10.172 -1.165 8.030 1.00 0.00 C ATOM 312 O LEU A 21 10.198 -0.954 9.222 1.00 0.00 O ATOM 313 CB LEU A 21 8.714 -0.096 6.247 1.00 0.00 C ATOM 314 CG LEU A 21 7.240 0.258 5.990 1.00 0.00 C ATOM 315 CD1 LEU A 21 7.114 1.473 5.046 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.500 -0.954 5.414 1.00 0.00 C ATOM 0 H LEU A 21 7.477 -0.080 8.516 1.00 0.00 H new ATOM 0 HA LEU A 21 8.830 -2.200 6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.251 0.792 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.181 -0.421 5.317 1.00 0.00 H new ATOM 0 HG LEU A 21 6.783 0.530 6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.060 1.699 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.605 2.336 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.587 1.243 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.457 -0.692 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.965 -1.251 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.551 -1.781 6.122 1.00 0.00 H new ATOM 328 N PRO A 22 11.217 -1.373 7.294 1.00 0.00 N ATOM 329 CA PRO A 22 12.619 -1.408 7.732 1.00 0.00 C ATOM 330 C PRO A 22 13.202 -0.047 8.051 1.00 0.00 C ATOM 331 O PRO A 22 12.539 0.955 8.086 1.00 0.00 O ATOM 332 CB PRO A 22 13.422 -2.027 6.565 1.00 0.00 C ATOM 333 CG PRO A 22 12.482 -2.205 5.347 1.00 0.00 C ATOM 334 CD PRO A 22 11.152 -1.623 5.835 1.00 0.00 C ATOM 0 HA PRO A 22 12.674 -1.981 8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.262 -1.383 6.302 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.839 -2.989 6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.855 -1.674 4.471 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.383 -3.254 5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.936 -0.694 5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.339 -2.313 5.611 1.00 0.00 H new ATOM 342 N GLU A 23 14.489 0.043 8.302 1.00 0.00 N ATOM 343 CA GLU A 23 15.090 1.382 8.623 1.00 0.00 C ATOM 344 C GLU A 23 15.944 1.866 7.459 1.00 0.00 C ATOM 345 O GLU A 23 16.139 3.051 7.322 1.00 0.00 O ATOM 346 CB GLU A 23 15.964 1.194 9.869 1.00 0.00 C ATOM 347 CG GLU A 23 16.053 2.507 10.669 1.00 0.00 C ATOM 348 CD GLU A 23 16.438 2.235 12.113 1.00 0.00 C ATOM 349 OE1 GLU A 23 17.328 1.413 12.336 1.00 0.00 O ATOM 350 OE2 GLU A 23 15.893 2.808 13.042 1.00 0.00 O ATOM 0 H GLU A 23 15.142 -0.740 8.299 1.00 0.00 H new ATOM 0 HA GLU A 23 14.311 2.124 8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.548 0.406 10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.963 0.872 9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.788 3.168 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.094 3.024 10.635 1.00 0.00 H new ATOM 357 N GLU A 24 16.426 0.959 6.657 1.00 0.00 N ATOM 358 CA GLU A 24 17.268 1.389 5.502 1.00 0.00 C ATOM 359 C GLU A 24 16.440 1.663 4.246 1.00 0.00 C ATOM 360 O GLU A 24 17.001 2.196 3.302 1.00 0.00 O ATOM 361 CB GLU A 24 18.308 0.284 5.280 1.00 0.00 C ATOM 362 CG GLU A 24 17.593 -0.955 4.742 1.00 0.00 C ATOM 363 CD GLU A 24 18.164 -2.189 5.438 1.00 0.00 C ATOM 364 OE1 GLU A 24 19.272 -2.585 5.071 1.00 0.00 O ATOM 365 OE2 GLU A 24 17.532 -2.753 6.322 1.00 0.00 O ATOM 0 H GLU A 24 16.278 -0.046 6.746 1.00 0.00 H new ATOM 0 HA GLU A 24 17.757 2.338 5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.070 0.617 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.818 0.051 6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.521 -0.881 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.730 -1.032 3.663 1.00 0.00 H new ATOM 372 N THR A 25 15.198 1.312 4.254 1.00 0.00 N ATOM 373 CA THR A 25 14.264 1.515 3.113 1.00 0.00 C ATOM 374 C THR A 25 14.482 2.855 2.411 1.00 0.00 C ATOM 375 O THR A 25 14.800 3.813 3.067 1.00 0.00 O ATOM 376 CB THR A 25 12.807 1.526 3.616 1.00 0.00 C ATOM 377 OG1 THR A 25 12.055 2.436 2.807 1.00 0.00 O ATOM 378 CG2 THR A 25 12.737 1.989 5.061 1.00 0.00 C ATOM 0 H THR A 25 14.759 0.862 5.057 1.00 0.00 H new ATOM 0 HA THR A 25 14.456 0.696 2.419 1.00 0.00 H new ATOM 0 HB THR A 25 12.403 0.516 3.551 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.034 3.316 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.699 1.988 5.393 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.319 1.314 5.688 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.143 2.998 5.140 1.00 0.00 H new ATOM 386 N ASN A 26 14.315 2.878 1.131 1.00 0.00 N ATOM 387 CA ASN A 26 14.521 4.144 0.342 1.00 0.00 C ATOM 388 C ASN A 26 13.238 4.607 -0.335 1.00 0.00 C ATOM 389 O ASN A 26 12.450 3.827 -0.841 1.00 0.00 O ATOM 390 CB ASN A 26 15.666 3.817 -0.617 1.00 0.00 C ATOM 391 CG ASN A 26 15.670 4.654 -1.876 1.00 0.00 C ATOM 392 OD1 ASN A 26 14.920 5.554 -2.141 1.00 0.00 O ATOM 393 ND2 ASN A 26 16.583 4.361 -2.782 1.00 0.00 N ATOM 0 H ASN A 26 14.040 2.069 0.574 1.00 0.00 H new ATOM 0 HA ASN A 26 14.783 4.998 0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 26 16.614 3.957 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.606 2.764 -0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 26 16.625 4.890 -3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 26 17.247 3.606 -2.611 1.00 0.00 H new ATOM 400 N GLU A 27 12.924 5.889 -0.403 1.00 0.00 N ATOM 401 CA GLU A 27 11.677 6.391 -1.066 1.00 0.00 C ATOM 402 C GLU A 27 11.819 6.299 -2.573 1.00 0.00 C ATOM 403 O GLU A 27 10.848 6.041 -3.220 1.00 0.00 O ATOM 404 CB GLU A 27 11.405 7.858 -0.733 1.00 0.00 C ATOM 405 CG GLU A 27 10.130 8.373 -1.427 1.00 0.00 C ATOM 406 CD GLU A 27 10.268 9.874 -1.683 1.00 0.00 C ATOM 407 OE1 GLU A 27 11.233 10.249 -2.324 1.00 0.00 O ATOM 408 OE2 GLU A 27 9.378 10.574 -1.219 1.00 0.00 O ATOM 0 H GLU A 27 13.506 6.629 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 27 10.857 5.773 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.304 7.973 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.257 8.465 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.975 7.844 -2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.258 8.177 -0.803 1.00 0.00 H new ATOM 415 N LEU A 28 12.954 6.467 -3.217 1.00 0.00 N ATOM 416 CA LEU A 28 13.064 6.317 -4.710 1.00 0.00 C ATOM 417 C LEU A 28 12.962 4.796 -5.019 1.00 0.00 C ATOM 418 O LEU A 28 12.573 4.360 -6.076 1.00 0.00 O ATOM 419 CB LEU A 28 14.399 6.776 -5.261 1.00 0.00 C ATOM 420 CG LEU A 28 15.168 7.703 -4.331 1.00 0.00 C ATOM 421 CD1 LEU A 28 16.367 8.330 -5.077 1.00 0.00 C ATOM 422 CD2 LEU A 28 14.298 8.862 -3.849 1.00 0.00 C ATOM 0 H LEU A 28 13.832 6.708 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 28 12.281 6.924 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 28 15.013 5.901 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.233 7.286 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 28 15.493 7.099 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.910 8.991 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 28 17.033 7.540 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.005 8.902 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.880 9.503 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.956 9.441 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.436 8.470 -3.309 1.00 0.00 H new ATOM 434 N MET A 29 13.321 4.022 -4.013 1.00 0.00 N ATOM 435 CA MET A 29 13.264 2.527 -4.108 1.00 0.00 C ATOM 436 C MET A 29 11.802 2.087 -4.139 1.00 0.00 C ATOM 437 O MET A 29 11.275 1.455 -5.063 1.00 0.00 O ATOM 438 CB MET A 29 13.869 1.967 -2.812 1.00 0.00 C ATOM 439 CG MET A 29 14.491 0.596 -3.019 1.00 0.00 C ATOM 440 SD MET A 29 13.213 -0.630 -2.628 1.00 0.00 S ATOM 441 CE MET A 29 14.256 -2.076 -2.892 1.00 0.00 C ATOM 0 H MET A 29 13.656 4.374 -3.116 1.00 0.00 H new ATOM 0 HA MET A 29 13.791 2.181 -4.997 1.00 0.00 H new ATOM 0 HB2 MET A 29 14.627 2.656 -2.439 1.00 0.00 H new ATOM 0 HB3 MET A 29 13.094 1.902 -2.049 1.00 0.00 H new ATOM 0 HG2 MET A 29 14.835 0.480 -4.047 1.00 0.00 H new ATOM 0 HG3 MET A 29 15.361 0.466 -2.375 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.677 -2.981 -2.707 1.00 0.00 H new ATOM 0 HE2 MET A 29 14.618 -2.081 -3.920 1.00 0.00 H new ATOM 0 HE3 MET A 29 15.105 -2.042 -2.209 1.00 0.00 H new ATOM 451 N LEU A 30 11.113 2.442 -3.088 1.00 0.00 N ATOM 452 CA LEU A 30 9.674 2.112 -2.917 1.00 0.00 C ATOM 453 C LEU A 30 8.917 2.897 -4.007 1.00 0.00 C ATOM 454 O LEU A 30 7.911 2.507 -4.515 1.00 0.00 O ATOM 455 CB LEU A 30 9.240 2.724 -1.595 1.00 0.00 C ATOM 456 CG LEU A 30 9.387 1.776 -0.393 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.272 0.314 -0.810 1.00 0.00 C ATOM 458 CD2 LEU A 30 10.780 1.924 0.266 1.00 0.00 C ATOM 0 H LEU A 30 11.510 2.970 -2.310 1.00 0.00 H new ATOM 0 HA LEU A 30 9.492 1.038 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.829 3.623 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.199 3.036 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 30 8.588 2.047 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.381 -0.324 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.297 0.141 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.056 0.078 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.856 1.242 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.555 1.685 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.912 2.949 0.613 1.00 0.00 H new ATOM 470 N SER A 31 9.444 4.043 -4.348 1.00 0.00 N ATOM 471 CA SER A 31 8.895 4.936 -5.395 1.00 0.00 C ATOM 472 C SER A 31 8.839 4.195 -6.737 1.00 0.00 C ATOM 473 O SER A 31 7.889 4.139 -7.470 1.00 0.00 O ATOM 474 CB SER A 31 9.805 6.159 -5.656 1.00 0.00 C ATOM 475 OG SER A 31 9.558 6.720 -6.941 1.00 0.00 O ATOM 0 H SER A 31 10.288 4.412 -3.909 1.00 0.00 H new ATOM 0 HA SER A 31 7.914 5.250 -5.037 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.634 6.913 -4.888 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.851 5.860 -5.582 1.00 0.00 H new ATOM 0 HG SER A 31 10.145 7.492 -7.079 1.00 0.00 H new ATOM 481 N MET A 32 9.972 3.591 -7.021 1.00 0.00 N ATOM 482 CA MET A 32 10.151 2.792 -8.271 1.00 0.00 C ATOM 483 C MET A 32 9.350 1.497 -8.226 1.00 0.00 C ATOM 484 O MET A 32 8.792 0.987 -9.194 1.00 0.00 O ATOM 485 CB MET A 32 11.640 2.376 -8.326 1.00 0.00 C ATOM 486 CG MET A 32 12.368 3.240 -9.329 1.00 0.00 C ATOM 487 SD MET A 32 13.690 2.245 -10.099 1.00 0.00 S ATOM 488 CE MET A 32 14.981 3.533 -9.975 1.00 0.00 C ATOM 0 H MET A 32 10.797 3.622 -6.422 1.00 0.00 H new ATOM 0 HA MET A 32 9.826 3.391 -9.122 1.00 0.00 H new ATOM 0 HB2 MET A 32 12.095 2.482 -7.341 1.00 0.00 H new ATOM 0 HB3 MET A 32 11.725 1.326 -8.605 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.676 3.603 -10.089 1.00 0.00 H new ATOM 0 HG3 MET A 32 12.791 4.116 -8.838 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.914 3.155 -10.393 1.00 0.00 H new ATOM 0 HE2 MET A 32 14.667 4.417 -10.530 1.00 0.00 H new ATOM 0 HE3 MET A 32 15.133 3.796 -8.928 1.00 0.00 H new ATOM 498 N LEU A 33 9.270 0.926 -7.038 1.00 0.00 N ATOM 499 CA LEU A 33 8.547 -0.370 -6.816 1.00 0.00 C ATOM 500 C LEU A 33 7.051 -0.060 -6.962 1.00 0.00 C ATOM 501 O LEU A 33 6.246 -0.822 -7.416 1.00 0.00 O ATOM 502 CB LEU A 33 8.752 -0.823 -5.347 1.00 0.00 C ATOM 503 CG LEU A 33 9.883 -1.827 -5.218 1.00 0.00 C ATOM 504 CD1 LEU A 33 10.327 -1.852 -3.748 1.00 0.00 C ATOM 505 CD2 LEU A 33 9.379 -3.218 -5.558 1.00 0.00 C ATOM 0 H LEU A 33 9.688 1.318 -6.195 1.00 0.00 H new ATOM 0 HA LEU A 33 8.902 -1.132 -7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.965 0.046 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.829 -1.265 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 33 10.697 -1.547 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.141 -2.567 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.669 -0.859 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.487 -2.147 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.195 -3.934 -5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.576 -3.491 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.003 -3.229 -6.581 1.00 0.00 H new ATOM 517 N PHE A 34 6.753 1.135 -6.517 1.00 0.00 N ATOM 518 CA PHE A 34 5.311 1.568 -6.624 1.00 0.00 C ATOM 519 C PHE A 34 5.053 2.033 -8.059 1.00 0.00 C ATOM 520 O PHE A 34 3.960 1.987 -8.586 1.00 0.00 O ATOM 521 CB PHE A 34 4.948 2.597 -5.577 1.00 0.00 C ATOM 522 CG PHE A 34 4.802 1.871 -4.246 1.00 0.00 C ATOM 523 CD1 PHE A 34 4.177 0.633 -4.133 1.00 0.00 C ATOM 524 CD2 PHE A 34 5.322 2.481 -3.095 1.00 0.00 C ATOM 525 CE1 PHE A 34 4.085 0.035 -2.858 1.00 0.00 C ATOM 526 CE2 PHE A 34 5.236 1.891 -1.827 1.00 0.00 C ATOM 527 CZ PHE A 34 4.602 0.643 -1.723 1.00 0.00 C ATOM 0 H PHE A 34 7.402 1.805 -6.104 1.00 0.00 H new ATOM 0 HA PHE A 34 4.651 0.726 -6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.719 3.365 -5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.018 3.101 -5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.770 0.140 -5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.807 3.441 -3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.598 -0.924 -2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.645 2.382 -0.956 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.517 0.157 -0.762 1.00 0.00 H new ATOM 537 N ASN A 35 6.129 2.485 -8.668 1.00 0.00 N ATOM 538 CA ASN A 35 6.113 2.981 -10.059 1.00 0.00 C ATOM 539 C ASN A 35 5.798 1.787 -10.987 1.00 0.00 C ATOM 540 O ASN A 35 5.064 1.981 -11.919 1.00 0.00 O ATOM 541 CB ASN A 35 7.438 3.644 -10.456 1.00 0.00 C ATOM 542 CG ASN A 35 7.927 3.155 -11.830 1.00 0.00 C ATOM 543 OD1 ASN A 35 7.167 3.324 -12.885 1.00 0.00 O flip ATOM 544 ND2 ASN A 35 9.012 2.621 -11.909 1.00 0.00 N flip ATOM 0 H ASN A 35 7.048 2.526 -8.226 1.00 0.00 H new ATOM 0 HA ASN A 35 5.348 3.752 -10.153 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.311 4.726 -10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.194 3.427 -9.702 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.584 2.502 -11.073 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.353 2.291 -12.812 1.00 0.00 H new ATOM 551 N GLN A 36 6.358 0.642 -10.681 1.00 0.00 N ATOM 552 CA GLN A 36 6.118 -0.593 -11.451 1.00 0.00 C ATOM 553 C GLN A 36 4.665 -0.696 -11.985 1.00 0.00 C ATOM 554 O GLN A 36 4.381 -1.221 -13.026 1.00 0.00 O ATOM 555 CB GLN A 36 6.236 -1.758 -10.440 1.00 0.00 C ATOM 556 CG GLN A 36 7.670 -2.187 -10.235 1.00 0.00 C ATOM 557 CD GLN A 36 7.710 -3.605 -9.636 1.00 0.00 C ATOM 558 OE1 GLN A 36 6.816 -4.059 -8.953 1.00 0.00 O ATOM 559 NE2 GLN A 36 8.754 -4.326 -9.888 1.00 0.00 N ATOM 0 H GLN A 36 6.996 0.521 -9.894 1.00 0.00 H new ATOM 0 HA GLN A 36 6.819 -0.611 -12.286 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.809 -1.453 -9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.651 -2.607 -10.795 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.204 -2.169 -11.185 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.177 -1.487 -9.571 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.508 -3.949 -10.462 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.823 -5.272 -9.513 1.00 0.00 H new ATOM 568 N PHE A 37 3.778 -0.174 -11.194 1.00 0.00 N ATOM 569 CA PHE A 37 2.280 -0.144 -11.391 1.00 0.00 C ATOM 570 C PHE A 37 1.740 1.012 -12.225 1.00 0.00 C ATOM 571 O PHE A 37 1.648 2.129 -11.730 1.00 0.00 O ATOM 572 CB PHE A 37 1.652 -0.237 -9.964 1.00 0.00 C ATOM 573 CG PHE A 37 2.256 -1.527 -9.396 1.00 0.00 C ATOM 574 CD1 PHE A 37 1.728 -2.758 -9.805 1.00 0.00 C ATOM 575 CD2 PHE A 37 3.321 -1.527 -8.500 1.00 0.00 C ATOM 576 CE1 PHE A 37 2.260 -3.978 -9.328 1.00 0.00 C ATOM 577 CE2 PHE A 37 3.876 -2.716 -8.003 1.00 0.00 C ATOM 578 CZ PHE A 37 3.326 -3.922 -8.437 1.00 0.00 C ATOM 0 H PHE A 37 4.053 0.283 -10.325 1.00 0.00 H new ATOM 0 HA PHE A 37 1.987 -0.991 -12.011 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.908 0.630 -9.354 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.564 -0.287 -10.006 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.899 -2.776 -10.497 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.733 -0.582 -8.177 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.851 -4.925 -9.646 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.702 -2.698 -7.307 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.744 -4.847 -8.067 1.00 0.00 H new ATOM 588 N PRO A 38 1.392 0.719 -13.454 1.00 0.00 N ATOM 589 CA PRO A 38 0.828 1.729 -14.403 1.00 0.00 C ATOM 590 C PRO A 38 -0.342 2.441 -13.668 1.00 0.00 C ATOM 591 O PRO A 38 -1.339 1.835 -13.353 1.00 0.00 O ATOM 592 CB PRO A 38 0.196 0.980 -15.560 1.00 0.00 C ATOM 593 CG PRO A 38 0.251 -0.509 -15.156 1.00 0.00 C ATOM 594 CD PRO A 38 1.448 -0.555 -14.170 1.00 0.00 C ATOM 0 HA PRO A 38 1.600 2.422 -14.738 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.831 1.305 -15.726 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.740 1.157 -16.488 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.675 -0.834 -14.683 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.412 -1.156 -16.018 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.363 -1.398 -13.484 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.393 -0.669 -14.701 1.00 0.00 H new ATOM 602 N GLY A 39 -0.184 3.707 -13.410 1.00 0.00 N ATOM 603 CA GLY A 39 -1.262 4.450 -12.700 1.00 0.00 C ATOM 604 C GLY A 39 -0.684 4.992 -11.380 1.00 0.00 C ATOM 605 O GLY A 39 -1.380 5.752 -10.752 1.00 0.00 O ATOM 0 H GLY A 39 0.638 4.258 -13.657 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.630 5.269 -13.318 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.110 3.794 -12.503 1.00 0.00 H new ATOM 609 N PHE A 40 0.493 4.582 -11.057 1.00 0.00 N ATOM 610 CA PHE A 40 1.249 4.973 -9.850 1.00 0.00 C ATOM 611 C PHE A 40 0.894 6.412 -9.524 1.00 0.00 C ATOM 612 O PHE A 40 0.982 7.214 -10.437 1.00 0.00 O ATOM 613 CB PHE A 40 2.746 4.909 -10.206 1.00 0.00 C ATOM 614 CG PHE A 40 3.475 6.148 -9.723 1.00 0.00 C ATOM 615 CD1 PHE A 40 3.799 6.222 -8.370 1.00 0.00 C ATOM 616 CD2 PHE A 40 3.795 7.168 -10.647 1.00 0.00 C ATOM 617 CE1 PHE A 40 4.469 7.370 -7.929 1.00 0.00 C ATOM 618 CE2 PHE A 40 4.459 8.310 -10.207 1.00 0.00 C ATOM 619 CZ PHE A 40 4.788 8.395 -8.850 1.00 0.00 C ATOM 0 H PHE A 40 1.010 3.926 -11.642 1.00 0.00 H new ATOM 0 HA PHE A 40 1.020 4.323 -9.006 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.192 4.022 -9.756 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.863 4.812 -11.285 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.543 5.425 -7.688 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.526 7.063 -11.688 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.741 7.472 -6.889 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.712 9.106 -10.892 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.304 9.274 -8.493 1.00 0.00 H new ATOM 629 N LYS A 41 0.507 6.737 -8.316 1.00 0.00 N ATOM 630 CA LYS A 41 0.154 8.147 -8.051 1.00 0.00 C ATOM 631 C LYS A 41 0.879 8.784 -6.873 1.00 0.00 C ATOM 632 O LYS A 41 1.451 9.853 -7.006 1.00 0.00 O ATOM 633 CB LYS A 41 -1.366 8.198 -7.781 1.00 0.00 C ATOM 634 CG LYS A 41 -2.044 9.251 -8.632 1.00 0.00 C ATOM 635 CD LYS A 41 -1.713 10.606 -8.017 1.00 0.00 C ATOM 636 CE LYS A 41 -2.268 11.744 -8.884 1.00 0.00 C ATOM 637 NZ LYS A 41 -1.359 12.923 -8.884 1.00 0.00 N ATOM 0 H LYS A 41 0.424 6.098 -7.525 1.00 0.00 H new ATOM 0 HA LYS A 41 0.460 8.720 -8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.806 7.223 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.543 8.411 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.692 9.199 -9.662 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.122 9.092 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.134 10.668 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.633 10.712 -7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.407 11.390 -9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.249 12.040 -8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.764 13.674 -9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.247 13.275 -7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.430 12.645 -9.261 1.00 0.00 H new ATOM 651 N GLU A 42 0.880 8.179 -5.737 1.00 0.00 N ATOM 652 CA GLU A 42 1.540 8.688 -4.522 1.00 0.00 C ATOM 653 C GLU A 42 2.373 7.533 -3.938 1.00 0.00 C ATOM 654 O GLU A 42 1.901 6.428 -3.980 1.00 0.00 O ATOM 655 CB GLU A 42 0.560 9.258 -3.488 1.00 0.00 C ATOM 656 CG GLU A 42 1.271 10.229 -2.531 1.00 0.00 C ATOM 657 CD GLU A 42 0.244 10.770 -1.539 1.00 0.00 C ATOM 658 OE1 GLU A 42 -0.499 9.999 -0.963 1.00 0.00 O ATOM 659 OE2 GLU A 42 0.208 11.972 -1.360 1.00 0.00 O ATOM 0 H GLU A 42 0.413 7.283 -5.593 1.00 0.00 H new ATOM 0 HA GLU A 42 2.176 9.532 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.253 9.775 -3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.112 8.444 -2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.076 9.718 -2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.725 11.047 -3.090 1.00 0.00 H new ATOM 666 N VAL A 43 3.517 7.870 -3.448 1.00 0.00 N ATOM 667 CA VAL A 43 4.490 6.943 -2.844 1.00 0.00 C ATOM 668 C VAL A 43 5.247 7.718 -1.764 1.00 0.00 C ATOM 669 O VAL A 43 5.988 8.624 -2.041 1.00 0.00 O ATOM 670 CB VAL A 43 5.448 6.411 -3.912 1.00 0.00 C ATOM 671 CG1 VAL A 43 4.628 5.617 -4.923 1.00 0.00 C ATOM 672 CG2 VAL A 43 6.188 7.558 -4.597 1.00 0.00 C ATOM 0 H VAL A 43 3.841 8.837 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 43 3.987 6.082 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 43 6.201 5.770 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.287 5.225 -5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.129 4.790 -4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.881 6.268 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.863 7.156 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.467 8.224 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.762 8.114 -3.856 1.00 0.00 H new ATOM 682 N ARG A 44 5.006 7.362 -0.553 1.00 0.00 N ATOM 683 CA ARG A 44 5.628 8.115 0.540 1.00 0.00 C ATOM 684 C ARG A 44 6.199 7.131 1.571 1.00 0.00 C ATOM 685 O ARG A 44 5.461 6.714 2.421 1.00 0.00 O ATOM 686 CB ARG A 44 4.541 9.010 1.160 1.00 0.00 C ATOM 687 CG ARG A 44 5.127 10.146 1.975 1.00 0.00 C ATOM 688 CD ARG A 44 5.410 9.715 3.419 1.00 0.00 C ATOM 689 NE ARG A 44 4.214 8.983 3.935 1.00 0.00 N ATOM 690 CZ ARG A 44 3.309 9.574 4.659 1.00 0.00 C ATOM 691 NH1 ARG A 44 2.651 10.622 4.230 1.00 0.00 N ATOM 692 NH2 ARG A 44 3.036 9.118 5.843 1.00 0.00 N ATOM 0 H ARG A 44 4.408 6.585 -0.273 1.00 0.00 H new ATOM 0 HA ARG A 44 6.450 8.736 0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.915 9.420 0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.895 8.405 1.796 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.051 10.490 1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.436 10.989 1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.292 9.076 3.458 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.619 10.586 4.041 1.00 0.00 H new ATOM 0 HE ARG A 44 4.104 7.993 3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.842 10.999 3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.948 11.061 4.824 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.530 8.301 6.201 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.327 9.577 6.415 1.00 0.00 H new ATOM 706 N LEU A 45 7.449 6.862 1.411 1.00 0.00 N ATOM 707 CA LEU A 45 8.258 6.034 2.324 1.00 0.00 C ATOM 708 C LEU A 45 9.703 6.578 2.272 1.00 0.00 C ATOM 709 O LEU A 45 10.464 6.097 1.477 1.00 0.00 O ATOM 710 CB LEU A 45 8.345 4.560 1.900 1.00 0.00 C ATOM 711 CG LEU A 45 9.441 3.802 2.693 1.00 0.00 C ATOM 712 CD1 LEU A 45 9.425 4.399 4.101 1.00 0.00 C ATOM 713 CD2 LEU A 45 8.937 2.369 2.842 1.00 0.00 C ATOM 0 H LEU A 45 7.984 7.214 0.617 1.00 0.00 H new ATOM 0 HA LEU A 45 7.789 6.082 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.381 4.078 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.560 4.500 0.833 1.00 0.00 H new ATOM 0 HG LEU A 45 10.421 3.858 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.179 3.905 4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.643 5.466 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.441 4.252 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.670 1.781 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.990 2.371 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.791 1.930 1.855 1.00 0.00 H new ATOM 725 N VAL A 46 9.937 7.504 3.146 1.00 0.00 N ATOM 726 CA VAL A 46 11.328 8.088 3.152 1.00 0.00 C ATOM 727 C VAL A 46 11.666 8.292 4.649 1.00 0.00 C ATOM 728 O VAL A 46 10.842 8.868 5.310 1.00 0.00 O ATOM 729 CB VAL A 46 11.373 9.427 2.408 1.00 0.00 C ATOM 730 CG1 VAL A 46 11.017 10.655 3.263 1.00 0.00 C ATOM 731 CG2 VAL A 46 12.793 9.695 1.857 1.00 0.00 C ATOM 0 H VAL A 46 9.277 7.877 3.829 1.00 0.00 H new ATOM 0 HA VAL A 46 12.040 7.435 2.648 1.00 0.00 H new ATOM 0 HB VAL A 46 10.622 9.315 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.076 11.555 2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.004 10.547 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.718 10.735 4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.805 10.650 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.504 9.726 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.072 8.898 1.167 1.00 0.00 H new ATOM 741 N PRO A 47 12.803 7.784 4.985 1.00 0.00 N ATOM 742 CA PRO A 47 13.430 7.810 6.320 1.00 0.00 C ATOM 743 C PRO A 47 12.997 8.944 7.208 1.00 0.00 C ATOM 744 O PRO A 47 12.508 9.995 6.813 1.00 0.00 O ATOM 745 CB PRO A 47 14.943 7.724 6.038 1.00 0.00 C ATOM 746 CG PRO A 47 14.893 6.502 5.058 1.00 0.00 C ATOM 747 CD PRO A 47 13.758 7.032 4.132 1.00 0.00 C ATOM 0 HA PRO A 47 13.099 6.972 6.933 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.345 8.626 5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.535 7.532 6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.833 6.338 4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.638 5.566 5.554 1.00 0.00 H new ATOM 0 HD2 PRO A 47 14.167 7.676 3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.255 6.206 3.630 1.00 0.00 H new ATOM 755 N GLY A 48 13.202 8.710 8.490 1.00 0.00 N ATOM 756 CA GLY A 48 12.667 9.772 9.419 1.00 0.00 C ATOM 757 C GLY A 48 11.165 9.578 9.053 1.00 0.00 C ATOM 758 O GLY A 48 10.549 10.528 8.674 1.00 0.00 O ATOM 0 H GLY A 48 13.672 7.907 8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.885 9.578 10.469 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.041 10.771 9.195 1.00 0.00 H new ATOM 762 N ARG A 49 10.783 8.352 9.146 1.00 0.00 N ATOM 763 CA ARG A 49 9.446 7.830 8.762 1.00 0.00 C ATOM 764 C ARG A 49 9.747 6.901 7.548 1.00 0.00 C ATOM 765 O ARG A 49 9.177 7.095 6.506 1.00 0.00 O ATOM 766 CB ARG A 49 8.448 8.867 8.333 1.00 0.00 C ATOM 767 CG ARG A 49 8.063 9.623 9.624 1.00 0.00 C ATOM 768 CD ARG A 49 7.647 8.500 10.599 1.00 0.00 C ATOM 769 NE ARG A 49 8.772 8.157 11.535 1.00 0.00 N ATOM 770 CZ ARG A 49 9.490 9.110 12.097 1.00 0.00 C ATOM 771 NH1 ARG A 49 8.903 10.095 12.736 1.00 0.00 N ATOM 772 NH2 ARG A 49 10.794 9.079 12.015 1.00 0.00 N ATOM 0 H ARG A 49 11.398 7.622 9.505 1.00 0.00 H new ATOM 0 HA ARG A 49 8.986 7.352 9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.877 9.544 7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.575 8.405 7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.901 10.201 10.014 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.246 10.323 9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.775 8.815 11.172 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.355 7.614 10.036 1.00 0.00 H new ATOM 0 HE ARG A 49 8.982 7.179 11.737 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.886 10.127 12.800 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.464 10.829 13.168 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.256 8.318 11.517 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.350 9.816 12.449 1.00 0.00 H new ATOM 786 N HIS A 50 10.615 5.956 7.820 1.00 0.00 N ATOM 787 CA HIS A 50 11.040 4.860 6.839 1.00 0.00 C ATOM 788 C HIS A 50 10.250 3.611 7.327 1.00 0.00 C ATOM 789 O HIS A 50 10.609 2.480 7.174 1.00 0.00 O ATOM 790 CB HIS A 50 12.506 4.473 6.906 1.00 0.00 C ATOM 791 CG HIS A 50 13.194 4.941 8.182 1.00 0.00 C ATOM 792 ND1 HIS A 50 12.546 4.688 9.398 1.00 0.00 N ATOM 793 CD2 HIS A 50 14.353 5.582 8.491 1.00 0.00 C ATOM 794 CE1 HIS A 50 13.341 5.190 10.345 1.00 0.00 C ATOM 795 NE2 HIS A 50 14.467 5.754 9.866 1.00 0.00 N ATOM 0 H HIS A 50 11.079 5.883 8.725 1.00 0.00 H new ATOM 0 HA HIS A 50 10.856 5.208 5.823 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.592 3.389 6.831 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.026 4.894 6.045 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.084 5.912 7.768 1.00 0.00 H new ATOM 0 HE1 HIS A 50 13.104 5.148 11.398 1.00 0.00 H new ATOM 0 HE2 HIS A 50 15.222 6.200 10.387 1.00 0.00 H new ATOM 804 N ASP A 51 9.139 3.900 7.975 1.00 0.00 N ATOM 805 CA ASP A 51 8.276 2.870 8.610 1.00 0.00 C ATOM 806 C ASP A 51 6.808 3.078 8.292 1.00 0.00 C ATOM 807 O ASP A 51 6.062 2.133 8.337 1.00 0.00 O ATOM 808 CB ASP A 51 8.446 2.841 10.146 1.00 0.00 C ATOM 809 CG ASP A 51 8.448 1.383 10.601 1.00 0.00 C ATOM 810 OD1 ASP A 51 7.427 0.741 10.385 1.00 0.00 O ATOM 811 OD2 ASP A 51 9.448 0.932 11.150 1.00 0.00 O ATOM 0 H ASP A 51 8.791 4.852 8.088 1.00 0.00 H new ATOM 0 HA ASP A 51 8.602 1.918 8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.377 3.330 10.434 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.636 3.388 10.628 1.00 0.00 H new ATOM 816 N ILE A 52 6.353 4.265 7.927 1.00 0.00 N ATOM 817 CA ILE A 52 4.967 4.574 7.555 1.00 0.00 C ATOM 818 C ILE A 52 4.979 4.839 6.030 1.00 0.00 C ATOM 819 O ILE A 52 5.570 5.755 5.528 1.00 0.00 O ATOM 820 CB ILE A 52 4.329 5.722 8.302 1.00 0.00 C ATOM 821 CG1 ILE A 52 4.931 7.084 7.988 1.00 0.00 C ATOM 822 CG2 ILE A 52 4.494 5.470 9.819 1.00 0.00 C ATOM 823 CD1 ILE A 52 3.981 8.126 8.618 1.00 0.00 C ATOM 0 H ILE A 52 6.961 5.082 7.877 1.00 0.00 H new ATOM 0 HA ILE A 52 4.343 3.725 7.835 1.00 0.00 H new ATOM 0 HB ILE A 52 3.286 5.753 7.986 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.935 7.171 8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.016 7.234 6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.039 6.289 10.376 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.005 4.533 10.088 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.554 5.409 10.065 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.362 9.129 8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.988 8.025 8.180 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.922 7.961 9.694 1.00 0.00 H new ATOM 835 N ALA A 53 4.343 3.948 5.311 1.00 0.00 N ATOM 836 CA ALA A 53 4.331 3.988 3.837 1.00 0.00 C ATOM 837 C ALA A 53 2.890 4.282 3.354 1.00 0.00 C ATOM 838 O ALA A 53 1.948 3.548 3.672 1.00 0.00 O ATOM 839 CB ALA A 53 4.824 2.688 3.215 1.00 0.00 C ATOM 0 H ALA A 53 3.816 3.171 5.711 1.00 0.00 H new ATOM 0 HA ALA A 53 5.014 4.776 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.795 2.771 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.847 2.496 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.183 1.866 3.534 1.00 0.00 H new ATOM 845 N PHE A 54 2.828 5.366 2.649 1.00 0.00 N ATOM 846 CA PHE A 54 1.574 5.907 2.008 1.00 0.00 C ATOM 847 C PHE A 54 1.722 5.881 0.466 1.00 0.00 C ATOM 848 O PHE A 54 2.442 6.626 -0.151 1.00 0.00 O ATOM 849 CB PHE A 54 1.407 7.357 2.423 1.00 0.00 C ATOM 850 CG PHE A 54 -0.061 7.623 2.724 1.00 0.00 C ATOM 851 CD1 PHE A 54 -0.924 7.743 1.638 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.484 7.737 4.058 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.289 7.994 1.907 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.845 7.985 4.310 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.737 8.112 3.227 1.00 0.00 C ATOM 0 H PHE A 54 3.647 5.948 2.472 1.00 0.00 H new ATOM 0 HA PHE A 54 0.722 5.302 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.015 7.569 3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.754 8.018 1.629 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.563 7.648 0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.219 7.637 4.871 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.989 8.095 1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.203 8.077 5.325 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.782 8.303 3.419 1.00 0.00 H new ATOM 865 N VAL A 55 1.004 4.904 -0.094 1.00 0.00 N ATOM 866 CA VAL A 55 1.047 4.585 -1.533 1.00 0.00 C ATOM 867 C VAL A 55 -0.325 4.545 -2.182 1.00 0.00 C ATOM 868 O VAL A 55 -1.173 3.685 -2.116 1.00 0.00 O ATOM 869 CB VAL A 55 1.630 3.145 -1.614 1.00 0.00 C ATOM 870 CG1 VAL A 55 2.294 3.007 -2.954 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.643 3.020 -0.449 1.00 0.00 C ATOM 0 H VAL A 55 0.371 4.306 0.437 1.00 0.00 H new ATOM 0 HA VAL A 55 1.627 5.350 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 55 0.879 2.361 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.717 2.007 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.559 3.167 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.089 3.747 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.086 2.024 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.428 3.767 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.129 3.181 0.499 1.00 0.00 H new ATOM 881 N GLU A 56 -0.540 5.613 -2.930 1.00 0.00 N ATOM 882 CA GLU A 56 -1.758 5.940 -3.679 1.00 0.00 C ATOM 883 C GLU A 56 -1.609 5.560 -5.172 1.00 0.00 C ATOM 884 O GLU A 56 -0.928 6.159 -5.951 1.00 0.00 O ATOM 885 CB GLU A 56 -2.022 7.468 -3.680 1.00 0.00 C ATOM 886 CG GLU A 56 -3.381 7.785 -4.317 1.00 0.00 C ATOM 887 CD GLU A 56 -3.362 9.180 -4.932 1.00 0.00 C ATOM 888 OE1 GLU A 56 -2.521 10.006 -4.594 1.00 0.00 O ATOM 889 OE2 GLU A 56 -4.232 9.412 -5.762 1.00 0.00 O ATOM 0 H GLU A 56 0.177 6.329 -3.043 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.564 5.389 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.997 7.847 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.230 7.978 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.613 7.045 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.167 7.722 -3.564 1.00 0.00 H new ATOM 896 N PHE A 57 -2.260 4.494 -5.499 1.00 0.00 N ATOM 897 CA PHE A 57 -2.232 3.845 -6.846 1.00 0.00 C ATOM 898 C PHE A 57 -3.582 4.034 -7.583 1.00 0.00 C ATOM 899 O PHE A 57 -4.494 3.336 -7.250 1.00 0.00 O ATOM 900 CB PHE A 57 -2.042 2.327 -6.789 1.00 0.00 C ATOM 901 CG PHE A 57 -1.025 1.826 -5.809 1.00 0.00 C ATOM 902 CD1 PHE A 57 -1.228 1.837 -4.432 1.00 0.00 C ATOM 903 CD2 PHE A 57 0.170 1.316 -6.352 1.00 0.00 C ATOM 904 CE1 PHE A 57 -0.243 1.336 -3.583 1.00 0.00 C ATOM 905 CE2 PHE A 57 1.149 0.819 -5.498 1.00 0.00 C ATOM 906 CZ PHE A 57 0.936 0.831 -4.129 1.00 0.00 C ATOM 0 H PHE A 57 -2.861 4.002 -4.838 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.393 4.322 -7.353 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.002 1.870 -6.551 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.761 1.979 -7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.146 2.233 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.325 1.311 -7.421 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.392 1.339 -2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.071 0.426 -5.900 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.699 0.441 -3.471 1.00 0.00 H new ATOM 916 N ASP A 58 -3.558 4.959 -8.471 1.00 0.00 N ATOM 917 CA ASP A 58 -4.727 5.389 -9.294 1.00 0.00 C ATOM 918 C ASP A 58 -5.875 4.401 -9.245 1.00 0.00 C ATOM 919 O ASP A 58 -7.006 4.833 -9.055 1.00 0.00 O ATOM 920 CB ASP A 58 -4.321 5.664 -10.757 1.00 0.00 C ATOM 921 CG ASP A 58 -5.551 6.263 -11.462 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.358 6.851 -10.756 1.00 0.00 O ATOM 923 OD2 ASP A 58 -5.644 6.123 -12.668 1.00 0.00 O ATOM 0 H ASP A 58 -2.710 5.484 -8.685 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.079 6.319 -8.849 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.478 6.354 -10.800 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.005 4.744 -11.249 1.00 0.00 H new ATOM 928 N ASN A 59 -5.692 3.124 -9.392 1.00 0.00 N ATOM 929 CA ASN A 59 -6.848 2.198 -9.328 1.00 0.00 C ATOM 930 C ASN A 59 -6.452 0.937 -8.523 1.00 0.00 C ATOM 931 O ASN A 59 -5.330 0.553 -8.479 1.00 0.00 O ATOM 932 CB ASN A 59 -7.360 1.841 -10.721 1.00 0.00 C ATOM 933 CG ASN A 59 -6.431 0.835 -11.412 1.00 0.00 C ATOM 934 OD1 ASN A 59 -6.419 -0.307 -11.024 1.00 0.00 O ATOM 935 ND2 ASN A 59 -5.673 1.234 -12.407 1.00 0.00 N ATOM 0 H ASN A 59 -4.788 2.680 -9.554 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.671 2.697 -8.816 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.363 1.422 -10.646 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.436 2.745 -11.326 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.053 0.572 -12.873 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.704 2.206 -12.714 1.00 0.00 H new ATOM 942 N GLU A 60 -7.464 0.373 -7.924 1.00 0.00 N ATOM 943 CA GLU A 60 -7.327 -0.876 -7.074 1.00 0.00 C ATOM 944 C GLU A 60 -6.798 -2.093 -7.839 1.00 0.00 C ATOM 945 O GLU A 60 -6.296 -3.028 -7.279 1.00 0.00 O ATOM 946 CB GLU A 60 -8.616 -1.159 -6.313 1.00 0.00 C ATOM 947 CG GLU A 60 -9.850 -1.077 -7.204 1.00 0.00 C ATOM 948 CD GLU A 60 -9.672 -1.900 -8.472 1.00 0.00 C ATOM 949 OE1 GLU A 60 -9.574 -3.122 -8.358 1.00 0.00 O ATOM 950 OE2 GLU A 60 -9.636 -1.309 -9.537 1.00 0.00 O ATOM 0 H GLU A 60 -8.418 0.728 -7.983 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.550 -0.670 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.560 -2.152 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.715 -0.446 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.722 -1.434 -6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.043 -0.037 -7.467 1.00 0.00 H new ATOM 957 N VAL A 61 -6.858 -2.165 -9.156 1.00 0.00 N ATOM 958 CA VAL A 61 -6.295 -3.347 -9.900 1.00 0.00 C ATOM 959 C VAL A 61 -4.752 -3.202 -9.744 1.00 0.00 C ATOM 960 O VAL A 61 -4.079 -4.141 -9.389 1.00 0.00 O ATOM 961 CB VAL A 61 -6.662 -3.243 -11.370 1.00 0.00 C ATOM 962 CG1 VAL A 61 -6.321 -4.583 -12.049 1.00 0.00 C ATOM 963 CG2 VAL A 61 -8.187 -3.069 -11.505 1.00 0.00 C ATOM 0 H VAL A 61 -7.276 -1.449 -9.750 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.672 -4.298 -9.524 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.127 -2.405 -11.816 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.577 -4.530 -13.107 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.255 -4.784 -11.943 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.889 -5.385 -11.578 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.453 -2.994 -12.559 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.692 -3.928 -11.064 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.497 -2.161 -10.987 1.00 0.00 H new ATOM 973 N GLN A 62 -4.292 -1.999 -10.013 1.00 0.00 N ATOM 974 CA GLN A 62 -2.809 -1.787 -9.838 1.00 0.00 C ATOM 975 C GLN A 62 -2.506 -1.572 -8.366 1.00 0.00 C ATOM 976 O GLN A 62 -1.400 -1.852 -7.943 1.00 0.00 O ATOM 977 CB GLN A 62 -2.220 -0.689 -10.743 1.00 0.00 C ATOM 978 CG GLN A 62 -3.105 0.534 -10.933 1.00 0.00 C ATOM 979 CD GLN A 62 -2.377 1.842 -10.530 1.00 0.00 C ATOM 980 OE1 GLN A 62 -3.074 2.756 -10.123 1.00 0.00 O ATOM 981 NE2 GLN A 62 -1.084 1.948 -10.623 1.00 0.00 N ATOM 0 H GLN A 62 -4.837 -1.197 -10.328 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.301 -2.691 -10.175 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.267 -0.367 -10.324 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.008 -1.121 -11.721 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.417 0.598 -11.976 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.010 0.423 -10.336 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.531 1.163 -10.968 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.623 2.816 -10.351 1.00 0.00 H new ATOM 990 N ALA A 63 -3.388 -1.107 -7.563 1.00 0.00 N ATOM 991 CA ALA A 63 -3.054 -0.923 -6.115 1.00 0.00 C ATOM 992 C ALA A 63 -2.986 -2.351 -5.538 1.00 0.00 C ATOM 993 O ALA A 63 -2.183 -2.646 -4.693 1.00 0.00 O ATOM 994 CB ALA A 63 -4.145 -0.169 -5.378 1.00 0.00 C ATOM 0 H ALA A 63 -4.336 -0.839 -7.829 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.130 -0.355 -6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.865 -0.056 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.274 0.816 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.081 -0.724 -5.446 1.00 0.00 H new ATOM 1000 N GLY A 64 -3.873 -3.149 -6.073 1.00 0.00 N ATOM 1001 CA GLY A 64 -4.027 -4.589 -5.705 1.00 0.00 C ATOM 1002 C GLY A 64 -2.832 -5.297 -6.299 1.00 0.00 C ATOM 1003 O GLY A 64 -2.280 -6.263 -5.758 1.00 0.00 O ATOM 0 H GLY A 64 -4.532 -2.842 -6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.057 -4.715 -4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.958 -4.996 -6.099 1.00 0.00 H new ATOM 1007 N ALA A 65 -2.349 -4.873 -7.435 1.00 0.00 N ATOM 1008 CA ALA A 65 -1.167 -5.514 -8.088 1.00 0.00 C ATOM 1009 C ALA A 65 0.016 -5.231 -7.139 1.00 0.00 C ATOM 1010 O ALA A 65 0.602 -6.155 -6.642 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.927 -4.883 -9.446 1.00 0.00 C ATOM 0 H ALA A 65 -2.736 -4.085 -7.954 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.307 -6.583 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.065 -5.353 -9.918 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.807 -5.025 -10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.737 -3.817 -9.323 1.00 0.00 H new ATOM 1017 N ALA A 66 0.326 -3.983 -6.893 1.00 0.00 N ATOM 1018 CA ALA A 66 1.395 -3.517 -5.986 1.00 0.00 C ATOM 1019 C ALA A 66 1.221 -4.156 -4.607 1.00 0.00 C ATOM 1020 O ALA A 66 2.154 -4.631 -4.004 1.00 0.00 O ATOM 1021 CB ALA A 66 1.177 -2.002 -5.763 1.00 0.00 C ATOM 0 H ALA A 66 -0.174 -3.210 -7.332 1.00 0.00 H new ATOM 0 HA ALA A 66 2.367 -3.762 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.949 -1.618 -5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.232 -1.482 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.196 -1.837 -5.316 1.00 0.00 H new ATOM 1027 N ARG A 67 0.026 -4.184 -4.098 1.00 0.00 N ATOM 1028 CA ARG A 67 -0.262 -4.789 -2.771 1.00 0.00 C ATOM 1029 C ARG A 67 0.081 -6.280 -2.836 1.00 0.00 C ATOM 1030 O ARG A 67 0.886 -6.711 -2.066 1.00 0.00 O ATOM 1031 CB ARG A 67 -1.753 -4.615 -2.457 1.00 0.00 C ATOM 1032 CG ARG A 67 -2.051 -4.950 -0.986 1.00 0.00 C ATOM 1033 CD ARG A 67 -1.829 -6.454 -0.707 1.00 0.00 C ATOM 1034 NE ARG A 67 -2.886 -6.923 0.207 1.00 0.00 N ATOM 1035 CZ ARG A 67 -2.826 -6.597 1.467 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -3.285 -5.430 1.858 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -2.307 -7.447 2.313 1.00 0.00 N ATOM 0 H ARG A 67 -0.794 -3.798 -4.565 1.00 0.00 H new ATOM 0 HA ARG A 67 0.329 -4.306 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.055 -3.589 -2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.343 -5.261 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.408 -4.357 -0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.080 -4.680 -0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.856 -7.020 -1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.846 -6.616 -0.264 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.655 -7.495 -0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.685 -4.785 1.177 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.241 -5.169 2.843 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.958 -8.347 1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.251 -7.211 3.304 1.00 0.00 H new ATOM 1051 N ASP A 68 -0.549 -6.953 -3.749 1.00 0.00 N ATOM 1052 CA ASP A 68 -0.362 -8.414 -3.990 1.00 0.00 C ATOM 1053 C ASP A 68 1.094 -8.772 -4.332 1.00 0.00 C ATOM 1054 O ASP A 68 1.602 -9.847 -4.161 1.00 0.00 O ATOM 1055 CB ASP A 68 -1.276 -8.872 -5.155 1.00 0.00 C ATOM 1056 CG ASP A 68 -1.332 -10.393 -5.291 1.00 0.00 C ATOM 1057 OD1 ASP A 68 -1.940 -11.034 -4.452 1.00 0.00 O ATOM 1058 OD2 ASP A 68 -0.781 -10.941 -6.227 1.00 0.00 O ATOM 0 H ASP A 68 -1.228 -6.525 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.626 -8.927 -3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.283 -8.487 -4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.914 -8.440 -6.088 1.00 0.00 H new ATOM 1063 N ALA A 69 1.803 -7.800 -4.850 1.00 0.00 N ATOM 1064 CA ALA A 69 3.226 -8.061 -5.207 1.00 0.00 C ATOM 1065 C ALA A 69 4.041 -7.978 -3.903 1.00 0.00 C ATOM 1066 O ALA A 69 4.713 -8.927 -3.576 1.00 0.00 O ATOM 1067 CB ALA A 69 3.772 -7.013 -6.183 1.00 0.00 C ATOM 0 H ALA A 69 1.465 -6.856 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 69 3.300 -9.037 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.812 -7.241 -6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.182 -7.027 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.711 -6.025 -5.727 1.00 0.00 H new ATOM 1073 N LEU A 70 3.945 -6.866 -3.231 1.00 0.00 N ATOM 1074 CA LEU A 70 4.741 -6.785 -1.946 1.00 0.00 C ATOM 1075 C LEU A 70 3.731 -7.029 -0.812 1.00 0.00 C ATOM 1076 O LEU A 70 3.806 -6.357 0.195 1.00 0.00 O ATOM 1077 CB LEU A 70 5.438 -5.428 -1.826 1.00 0.00 C ATOM 1078 CG LEU A 70 4.486 -4.291 -2.184 1.00 0.00 C ATOM 1079 CD1 LEU A 70 4.621 -3.157 -1.160 1.00 0.00 C ATOM 1080 CD2 LEU A 70 4.798 -3.818 -3.598 1.00 0.00 C ATOM 0 H LEU A 70 3.390 -6.048 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 70 5.540 -7.526 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.806 -5.293 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.306 -5.401 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 70 3.452 -4.634 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.939 -2.348 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.375 -3.533 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.645 -2.783 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.124 -3.005 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.828 -3.466 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.665 -4.645 -4.296 1.00 0.00 H new ATOM 1092 N GLN A 71 2.827 -7.955 -0.972 1.00 0.00 N ATOM 1093 CA GLN A 71 1.828 -8.237 0.091 1.00 0.00 C ATOM 1094 C GLN A 71 2.422 -8.903 1.332 1.00 0.00 C ATOM 1095 O GLN A 71 1.784 -9.776 1.900 1.00 0.00 O ATOM 1096 CB GLN A 71 0.793 -9.231 -0.473 1.00 0.00 C ATOM 1097 CG GLN A 71 1.494 -10.519 -0.886 1.00 0.00 C ATOM 1098 CD GLN A 71 0.638 -11.687 -0.420 1.00 0.00 C ATOM 1099 OE1 GLN A 71 0.283 -12.514 -1.247 1.00 0.00 O ATOM 1100 NE2 GLN A 71 0.290 -11.818 0.822 1.00 0.00 N ATOM 0 H GLN A 71 2.739 -8.535 -1.806 1.00 0.00 H new ATOM 0 HA GLN A 71 1.407 -7.275 0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.032 -9.444 0.278 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.282 -8.792 -1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.627 -10.551 -1.967 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.487 -10.572 -0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.587 -11.127 1.511 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.281 -12.612 1.111 1.00 0.00 H new ATOM 1109 N GLY A 72 3.580 -8.559 1.790 1.00 0.00 N ATOM 1110 CA GLY A 72 4.157 -9.212 3.009 1.00 0.00 C ATOM 1111 C GLY A 72 5.689 -9.126 2.848 1.00 0.00 C ATOM 1112 O GLY A 72 6.376 -10.106 2.949 1.00 0.00 O ATOM 0 H GLY A 72 4.172 -7.841 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.830 -8.704 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.830 -10.249 3.089 1.00 0.00 H new ATOM 1116 N PHE A 73 6.111 -7.919 2.595 1.00 0.00 N ATOM 1117 CA PHE A 73 7.580 -7.651 2.412 1.00 0.00 C ATOM 1118 C PHE A 73 8.210 -7.897 3.800 1.00 0.00 C ATOM 1119 O PHE A 73 8.453 -6.996 4.559 1.00 0.00 O ATOM 1120 CB PHE A 73 7.839 -6.247 1.900 1.00 0.00 C ATOM 1121 CG PHE A 73 9.322 -6.000 1.677 1.00 0.00 C ATOM 1122 CD1 PHE A 73 10.116 -7.034 1.150 1.00 0.00 C ATOM 1123 CD2 PHE A 73 9.889 -4.749 1.998 1.00 0.00 C ATOM 1124 CE1 PHE A 73 11.482 -6.817 0.944 1.00 0.00 C ATOM 1125 CE2 PHE A 73 11.259 -4.535 1.789 1.00 0.00 C ATOM 1126 CZ PHE A 73 12.041 -5.565 1.267 1.00 0.00 C ATOM 0 H PHE A 73 5.508 -7.101 2.505 1.00 0.00 H new ATOM 0 HA PHE A 73 8.020 -8.302 1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.299 -6.094 0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.452 -5.521 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.674 -7.989 0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.272 -3.961 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.103 -7.603 0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.705 -3.581 2.030 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.096 -5.399 1.107 1.00 0.00 H new ATOM 1136 N LYS A 74 8.434 -9.169 4.051 1.00 0.00 N ATOM 1137 CA LYS A 74 9.026 -9.646 5.317 1.00 0.00 C ATOM 1138 C LYS A 74 10.426 -9.036 5.493 1.00 0.00 C ATOM 1139 O LYS A 74 11.405 -9.653 5.160 1.00 0.00 O ATOM 1140 CB LYS A 74 9.084 -11.180 5.325 1.00 0.00 C ATOM 1141 CG LYS A 74 9.866 -11.691 4.101 1.00 0.00 C ATOM 1142 CD LYS A 74 11.157 -12.383 4.573 1.00 0.00 C ATOM 1143 CE LYS A 74 12.383 -11.901 3.813 1.00 0.00 C ATOM 1144 NZ LYS A 74 13.509 -11.788 4.799 1.00 0.00 N ATOM 0 H LYS A 74 8.216 -9.916 3.392 1.00 0.00 H new ATOM 0 HA LYS A 74 8.404 -9.329 6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.561 -11.528 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.074 -11.589 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.254 -12.389 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.107 -10.861 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.297 -12.198 5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.055 -13.461 4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.639 -12.599 3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.188 -10.938 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.406 -11.659 4.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.345 -10.971 5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.558 -12.655 5.371 1.00 0.00 H new ATOM 1158 N ILE A 75 10.435 -7.838 6.015 1.00 0.00 N ATOM 1159 CA ILE A 75 11.729 -7.159 6.232 1.00 0.00 C ATOM 1160 C ILE A 75 12.709 -8.064 7.010 1.00 0.00 C ATOM 1161 O ILE A 75 13.908 -8.004 6.896 1.00 0.00 O ATOM 1162 CB ILE A 75 11.459 -5.915 7.093 1.00 0.00 C ATOM 1163 CG1 ILE A 75 10.603 -4.958 6.266 1.00 0.00 C ATOM 1164 CG2 ILE A 75 12.755 -5.258 7.568 1.00 0.00 C ATOM 1165 CD1 ILE A 75 9.219 -4.911 6.923 1.00 0.00 C ATOM 0 H ILE A 75 9.608 -7.311 6.295 1.00 0.00 H new ATOM 0 HA ILE A 75 12.168 -6.910 5.266 1.00 0.00 H new ATOM 0 HB ILE A 75 10.927 -6.199 8.001 1.00 0.00 H new ATOM 0 HG12 ILE A 75 11.051 -3.965 6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.528 -5.301 5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.519 -4.383 8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 75 13.326 -5.969 8.166 1.00 0.00 H new ATOM 0 HG23 ILE A 75 13.346 -4.953 6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.573 -4.236 6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.784 -5.910 6.927 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.315 -4.553 7.948 1.00 0.00 H new ATOM 1177 N THR A 76 12.099 -8.916 7.814 1.00 0.00 N ATOM 1178 CA THR A 76 12.947 -9.844 8.622 1.00 0.00 C ATOM 1179 C THR A 76 12.402 -11.292 8.585 1.00 0.00 C ATOM 1180 O THR A 76 13.186 -12.198 8.491 1.00 0.00 O ATOM 1181 CB THR A 76 12.918 -9.352 10.073 1.00 0.00 C ATOM 1182 OG1 THR A 76 13.278 -7.972 10.111 1.00 0.00 O ATOM 1183 CG2 THR A 76 13.810 -10.206 10.970 1.00 0.00 C ATOM 0 H THR A 76 11.090 -9.003 7.939 1.00 0.00 H new ATOM 0 HA THR A 76 13.956 -9.851 8.211 1.00 0.00 H new ATOM 0 HB THR A 76 11.907 -9.454 10.466 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.993 -7.583 10.964 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.766 -9.829 11.992 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.464 -11.239 10.949 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.838 -10.160 10.611 1.00 0.00 H new ATOM 1191 N GLN A 77 11.118 -11.375 8.662 1.00 0.00 N ATOM 1192 CA GLN A 77 10.351 -12.659 8.653 1.00 0.00 C ATOM 1193 C GLN A 77 9.104 -12.415 9.539 1.00 0.00 C ATOM 1194 O GLN A 77 7.999 -12.695 9.148 1.00 0.00 O ATOM 1195 CB GLN A 77 11.132 -13.813 9.254 1.00 0.00 C ATOM 1196 CG GLN A 77 10.215 -15.056 9.249 1.00 0.00 C ATOM 1197 CD GLN A 77 9.900 -15.427 10.683 1.00 0.00 C ATOM 1198 OE1 GLN A 77 8.756 -15.707 10.994 1.00 0.00 O ATOM 1199 NE2 GLN A 77 10.847 -15.447 11.590 1.00 0.00 N ATOM 0 H GLN A 77 10.519 -10.553 8.736 1.00 0.00 H new ATOM 0 HA GLN A 77 10.116 -12.929 7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.037 -14.003 8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.446 -13.574 10.270 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.296 -14.846 8.701 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.706 -15.887 8.742 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.806 -15.213 11.332 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.625 -15.697 12.554 1.00 0.00 H new ATOM 1208 N ASN A 78 9.359 -11.889 10.695 1.00 0.00 N ATOM 1209 CA ASN A 78 8.281 -11.555 11.696 1.00 0.00 C ATOM 1210 C ASN A 78 7.945 -10.067 11.429 1.00 0.00 C ATOM 1211 O ASN A 78 6.839 -9.592 11.592 1.00 0.00 O ATOM 1212 CB ASN A 78 8.747 -11.787 13.121 1.00 0.00 C ATOM 1213 CG ASN A 78 9.824 -10.763 13.528 1.00 0.00 C ATOM 1214 OD1 ASN A 78 9.516 -9.698 14.016 1.00 0.00 O ATOM 1215 ND2 ASN A 78 11.085 -11.046 13.343 1.00 0.00 N ATOM 0 H ASN A 78 10.302 -11.663 11.013 1.00 0.00 H new ATOM 0 HA ASN A 78 7.405 -12.194 11.584 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.898 -11.715 13.800 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.147 -12.797 13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.803 -10.372 13.609 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.352 -11.941 12.933 1.00 0.00 H new ATOM 1222 N ASN A 79 8.982 -9.384 10.998 1.00 0.00 N ATOM 1223 CA ASN A 79 8.910 -7.928 10.645 1.00 0.00 C ATOM 1224 C ASN A 79 8.492 -7.887 9.154 1.00 0.00 C ATOM 1225 O ASN A 79 9.342 -8.143 8.319 1.00 0.00 O ATOM 1226 CB ASN A 79 10.253 -7.229 10.787 1.00 0.00 C ATOM 1227 CG ASN A 79 10.667 -7.360 12.259 1.00 0.00 C ATOM 1228 OD1 ASN A 79 11.582 -8.107 12.591 1.00 0.00 O ATOM 1229 ND2 ASN A 79 10.028 -6.665 13.149 1.00 0.00 N ATOM 0 H ASN A 79 9.908 -9.792 10.872 1.00 0.00 H new ATOM 0 HA ASN A 79 8.214 -7.418 11.312 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.997 -7.685 10.134 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.176 -6.181 10.499 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.285 -6.737 14.133 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.269 -6.046 12.864 1.00 0.00 H new ATOM 1236 N ALA A 80 7.263 -7.591 8.889 1.00 0.00 N ATOM 1237 CA ALA A 80 6.855 -7.566 7.457 1.00 0.00 C ATOM 1238 C ALA A 80 6.072 -6.269 7.239 1.00 0.00 C ATOM 1239 O ALA A 80 5.275 -5.922 8.078 1.00 0.00 O ATOM 1240 CB ALA A 80 5.869 -8.717 7.176 1.00 0.00 C ATOM 0 H ALA A 80 6.537 -7.371 9.571 1.00 0.00 H new ATOM 0 HA ALA A 80 7.734 -7.650 6.819 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.573 -8.695 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.350 -9.670 7.397 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.986 -8.601 7.805 1.00 0.00 H new ATOM 1246 N MET A 81 6.342 -5.636 6.143 1.00 0.00 N ATOM 1247 CA MET A 81 5.619 -4.382 5.860 1.00 0.00 C ATOM 1248 C MET A 81 4.093 -4.533 5.990 1.00 0.00 C ATOM 1249 O MET A 81 3.566 -5.523 5.545 1.00 0.00 O ATOM 1250 CB MET A 81 5.975 -3.979 4.411 1.00 0.00 C ATOM 1251 CG MET A 81 4.832 -3.272 3.715 1.00 0.00 C ATOM 1252 SD MET A 81 5.400 -1.968 2.581 1.00 0.00 S ATOM 1253 CE MET A 81 6.542 -2.919 1.579 1.00 0.00 C ATOM 0 H MET A 81 7.022 -5.928 5.441 1.00 0.00 H new ATOM 0 HA MET A 81 5.917 -3.626 6.587 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.849 -3.328 4.421 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.247 -4.870 3.845 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.244 -4.002 3.158 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.171 -2.835 4.463 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.811 -2.346 0.692 1.00 0.00 H new ATOM 0 HE2 MET A 81 7.440 -3.136 2.157 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.070 -3.854 1.278 1.00 0.00 H new ATOM 1263 N LYS A 82 3.372 -3.569 6.547 1.00 0.00 N ATOM 1264 CA LYS A 82 1.903 -3.616 6.647 1.00 0.00 C ATOM 1265 C LYS A 82 1.359 -2.351 5.907 1.00 0.00 C ATOM 1266 O LYS A 82 1.749 -1.284 6.312 1.00 0.00 O ATOM 1267 CB LYS A 82 1.404 -3.769 8.079 1.00 0.00 C ATOM 1268 CG LYS A 82 1.611 -5.243 8.516 1.00 0.00 C ATOM 1269 CD LYS A 82 0.396 -6.094 8.229 1.00 0.00 C ATOM 1270 CE LYS A 82 -0.907 -5.439 8.731 1.00 0.00 C ATOM 1271 NZ LYS A 82 -0.761 -4.925 10.110 1.00 0.00 N ATOM 0 H LYS A 82 3.783 -2.725 6.946 1.00 0.00 H new ATOM 0 HA LYS A 82 1.513 -4.513 6.165 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.947 -3.097 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.350 -3.499 8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.475 -5.657 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.834 -5.277 9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.322 -6.269 7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.517 -7.068 8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.184 -4.622 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.718 -6.167 8.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.676 -4.981 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.059 -5.497 10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.445 -3.935 10.080 1.00 0.00 H new ATOM 1285 N ILE A 83 0.624 -2.691 4.891 1.00 0.00 N ATOM 1286 CA ILE A 83 0.010 -1.788 3.873 1.00 0.00 C ATOM 1287 C ILE A 83 -1.491 -2.143 3.873 1.00 0.00 C ATOM 1288 O ILE A 83 -1.870 -3.251 3.596 1.00 0.00 O ATOM 1289 CB ILE A 83 0.606 -2.224 2.507 1.00 0.00 C ATOM 1290 CG1 ILE A 83 1.970 -1.541 2.280 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -0.308 -1.934 1.341 1.00 0.00 C ATOM 1292 CD1 ILE A 83 2.556 -2.067 0.980 1.00 0.00 C ATOM 0 H ILE A 83 0.402 -3.670 4.709 1.00 0.00 H new ATOM 0 HA ILE A 83 0.179 -0.728 4.061 1.00 0.00 H new ATOM 0 HB ILE A 83 0.730 -3.306 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.849 -0.459 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.643 -1.750 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.167 -2.262 0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.249 -2.467 1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.502 -0.863 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.522 -1.596 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.686 -3.147 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.880 -1.836 0.156 1.00 0.00 H new ATOM 1304 N SER A 84 -2.232 -1.152 4.236 1.00 0.00 N ATOM 1305 CA SER A 84 -3.696 -1.258 4.409 1.00 0.00 C ATOM 1306 C SER A 84 -4.379 -0.251 3.451 1.00 0.00 C ATOM 1307 O SER A 84 -4.272 0.911 3.688 1.00 0.00 O ATOM 1308 CB SER A 84 -4.215 -0.922 5.790 1.00 0.00 C ATOM 1309 OG SER A 84 -5.591 -0.539 5.647 1.00 0.00 O ATOM 0 H SER A 84 -1.863 -0.221 4.431 1.00 0.00 H new ATOM 0 HA SER A 84 -3.925 -2.305 4.213 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.122 -1.781 6.455 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.635 -0.112 6.232 1.00 0.00 H new ATOM 0 HG SER A 84 -5.961 -0.315 6.526 1.00 0.00 H new ATOM 1315 N PHE A 85 -4.984 -0.770 2.461 1.00 0.00 N ATOM 1316 CA PHE A 85 -5.780 0.047 1.488 1.00 0.00 C ATOM 1317 C PHE A 85 -6.610 1.109 2.229 1.00 0.00 C ATOM 1318 O PHE A 85 -6.849 1.043 3.429 1.00 0.00 O ATOM 1319 CB PHE A 85 -6.806 -0.808 0.741 1.00 0.00 C ATOM 1320 CG PHE A 85 -6.930 -2.203 1.262 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -7.542 -2.509 2.480 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -6.385 -3.235 0.460 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -7.609 -3.856 2.893 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -6.452 -4.562 0.867 1.00 0.00 C ATOM 1325 CZ PHE A 85 -7.071 -4.859 2.096 1.00 0.00 C ATOM 0 H PHE A 85 -4.975 -1.769 2.255 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.056 0.488 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.780 -0.322 0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.532 -0.848 -0.313 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.958 -1.726 3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.912 -2.988 -0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.080 -4.109 3.832 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.038 -5.349 0.254 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.129 -5.886 2.426 1.00 0.00 H new ATOM 1335 N ALA A 86 -7.094 2.118 1.588 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.881 3.196 2.211 1.00 0.00 C ATOM 1337 C ALA A 86 -9.354 2.855 2.317 1.00 0.00 C ATOM 1338 O ALA A 86 -9.783 2.230 3.277 1.00 0.00 O ATOM 1339 CB ALA A 86 -7.654 4.460 1.352 1.00 0.00 C ATOM 0 H ALA A 86 -6.964 2.245 0.584 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.553 3.353 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.218 5.292 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.593 4.708 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.991 4.272 0.332 1.00 0.00 H new