USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 438 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 29 SER OG : rot -52:sc= -1.2 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0172) USER MOD Set 2.1: A 18 GLN : amide:sc= -1.44! C(o=-1.5!,f=-2.7!) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= -0.0335 F(o=-3.9,f=-1.5) USER MOD Set 3.1: A 31 MET CE :methyl -119:sc= -7.65! (180deg=-9.93!) USER MOD Set 3.2: A 39 CYS SG : rot 154:sc= -2.34 USER MOD Set 4.1: A 28 GLN :FLIP amide:sc= -0.714 F(o=-4.6!,f=-4) USER MOD Set 4.2: A 47 TYR OH : rot -62:sc= -3.26! USER MOD Set 5.1: A 26 SER OG : rot -140:sc= -0.0248 USER MOD Set 5.2: A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0358 K(o=-0.036,f=-1.2) USER MOD Single : A 21 MET CE :methyl -134:sc= -0.511 (180deg=-2.96!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -2.54! C(o=-2.5!,f=-5.2!) USER MOD Single : A 36 SER OG : rot -112:sc= -1.96! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.878 K(o=-0.88,f=-3.9!) USER MOD Single : A 43 ASN : amide:sc= -3.71! C(o=-3.7!,f=-6.7!) USER MOD Single : A 44 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.61) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -160:sc= -1.49! USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0.0042) USER MOD Single : A 55 THR OG1 : rot -70:sc= 0.136 USER MOD Single : A 56 HIS : no HE2:sc= -0.985 K(o=-0.99,f=-1.8!) USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= -0.243 (180deg=-0.903) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0602) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 14 14.682 -0.669 3.521 1.00 0.00 N ATOM 161 CA LEU A 14 14.697 0.639 2.879 1.00 0.00 C ATOM 162 C LEU A 14 15.011 1.742 3.891 1.00 0.00 C ATOM 163 O LEU A 14 15.745 1.517 4.852 1.00 0.00 O ATOM 164 CB LEU A 14 13.367 0.888 2.158 1.00 0.00 C ATOM 165 CG LEU A 14 12.214 1.355 3.040 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.531 2.565 2.426 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.217 0.234 3.233 1.00 0.00 C ATOM 0 HA LEU A 14 15.491 0.656 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.531 1.634 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.068 -0.033 1.658 1.00 0.00 H new ATOM 0 HG LEU A 14 12.615 1.640 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.711 2.885 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.251 3.377 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.141 2.302 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.399 0.580 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.823 -0.073 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.710 -0.613 3.710 1.00 0.00 H new ATOM 179 N SER A 15 14.479 2.937 3.662 1.00 0.00 N ATOM 180 CA SER A 15 14.736 4.070 4.548 1.00 0.00 C ATOM 181 C SER A 15 13.435 4.627 5.123 1.00 0.00 C ATOM 182 O SER A 15 12.378 4.046 4.920 1.00 0.00 O ATOM 183 CB SER A 15 15.494 5.153 3.776 1.00 0.00 C ATOM 184 OG SER A 15 16.195 4.600 2.675 1.00 0.00 O ATOM 0 H SER A 15 13.868 3.148 2.873 1.00 0.00 H new ATOM 0 HA SER A 15 15.344 3.731 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.793 5.909 3.422 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.195 5.655 4.442 1.00 0.00 H new ATOM 0 HG SER A 15 16.669 5.313 2.198 1.00 0.00 H new ATOM 190 N PRO A 16 13.496 5.758 5.864 1.00 0.00 N ATOM 191 CA PRO A 16 12.307 6.381 6.467 1.00 0.00 C ATOM 192 C PRO A 16 11.175 6.573 5.461 1.00 0.00 C ATOM 193 O PRO A 16 10.007 6.664 5.837 1.00 0.00 O ATOM 194 CB PRO A 16 12.826 7.732 6.959 1.00 0.00 C ATOM 195 CG PRO A 16 14.274 7.502 7.216 1.00 0.00 C ATOM 196 CD PRO A 16 14.726 6.510 6.183 1.00 0.00 C ATOM 0 HA PRO A 16 11.878 5.762 7.255 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.674 8.512 6.213 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.308 8.051 7.863 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.837 8.432 7.136 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.435 7.117 8.223 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.133 7.006 5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.507 5.856 6.570 1.00 0.00 H new ATOM 204 N GLU A 17 11.528 6.608 4.175 1.00 0.00 N ATOM 205 CA GLU A 17 10.560 6.757 3.097 1.00 0.00 C ATOM 206 C GLU A 17 9.339 5.875 3.337 1.00 0.00 C ATOM 207 O GLU A 17 8.234 6.175 2.886 1.00 0.00 O ATOM 208 CB GLU A 17 11.284 6.411 1.775 1.00 0.00 C ATOM 209 CG GLU A 17 10.612 5.388 0.839 1.00 0.00 C ATOM 210 CD GLU A 17 10.687 5.812 -0.614 1.00 0.00 C ATOM 211 OE1 GLU A 17 10.143 6.887 -0.947 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.290 5.071 -1.419 1.00 0.00 O ATOM 0 H GLU A 17 12.494 6.534 3.856 1.00 0.00 H new ATOM 0 HA GLU A 17 10.184 7.779 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.423 7.336 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.277 6.037 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.093 4.417 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.568 5.264 1.127 1.00 0.00 H new ATOM 219 N GLN A 18 9.566 4.783 4.037 1.00 0.00 N ATOM 220 CA GLN A 18 8.534 3.835 4.340 1.00 0.00 C ATOM 221 C GLN A 18 7.432 4.460 5.154 1.00 0.00 C ATOM 222 O GLN A 18 6.323 4.642 4.681 1.00 0.00 O ATOM 223 CB GLN A 18 9.141 2.666 5.111 1.00 0.00 C ATOM 224 CG GLN A 18 8.580 1.337 4.697 1.00 0.00 C ATOM 225 CD GLN A 18 8.949 0.213 5.646 1.00 0.00 C ATOM 226 OE1 GLN A 18 9.475 0.449 6.733 1.00 0.00 O ATOM 227 NE2 GLN A 18 8.671 -1.021 5.237 1.00 0.00 N ATOM 0 H GLN A 18 10.482 4.534 4.411 1.00 0.00 H new ATOM 0 HA GLN A 18 8.101 3.486 3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.221 2.661 4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.967 2.812 6.177 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.494 1.411 4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.940 1.093 3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.234 -1.171 4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.894 -1.818 5.833 1.00 0.00 H new ATOM 236 N GLN A 19 7.744 4.775 6.383 1.00 0.00 N ATOM 237 CA GLN A 19 6.760 5.361 7.272 1.00 0.00 C ATOM 238 C GLN A 19 6.165 6.617 6.669 1.00 0.00 C ATOM 239 O GLN A 19 5.034 6.985 6.990 1.00 0.00 O ATOM 240 CB GLN A 19 7.365 5.654 8.646 1.00 0.00 C ATOM 241 CG GLN A 19 7.478 4.428 9.536 1.00 0.00 C ATOM 242 CD GLN A 19 6.229 4.188 10.360 1.00 0.00 C ATOM 243 OE1 GLN A 19 5.197 4.822 10.143 1.00 0.00 O ATOM 244 NE2 GLN A 19 6.318 3.269 11.315 1.00 0.00 N ATOM 0 H GLN A 19 8.667 4.639 6.796 1.00 0.00 H new ATOM 0 HA GLN A 19 5.958 4.635 7.405 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.356 6.088 8.512 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.755 6.403 9.150 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.675 3.552 8.918 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.332 4.546 10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.194 2.767 11.460 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.510 3.065 11.903 1.00 0.00 H new ATOM 253 N GLU A 20 6.897 7.263 5.767 1.00 0.00 N ATOM 254 CA GLU A 20 6.374 8.450 5.114 1.00 0.00 C ATOM 255 C GLU A 20 5.050 8.091 4.455 1.00 0.00 C ATOM 256 O GLU A 20 4.044 8.781 4.621 1.00 0.00 O ATOM 257 CB GLU A 20 7.363 8.977 4.072 1.00 0.00 C ATOM 258 CG GLU A 20 8.696 9.410 4.662 1.00 0.00 C ATOM 259 CD GLU A 20 8.648 10.808 5.246 1.00 0.00 C ATOM 260 OE1 GLU A 20 8.898 11.775 4.495 1.00 0.00 O ATOM 261 OE2 GLU A 20 8.359 10.937 6.455 1.00 0.00 O ATOM 0 H GLU A 20 7.836 6.989 5.478 1.00 0.00 H new ATOM 0 HA GLU A 20 6.222 9.238 5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.540 8.202 3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.913 9.823 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.991 8.705 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.462 9.370 3.888 1.00 0.00 H new ATOM 268 N MET A 21 5.072 6.993 3.705 1.00 0.00 N ATOM 269 CA MET A 21 3.912 6.502 3.013 1.00 0.00 C ATOM 270 C MET A 21 3.042 5.594 3.866 1.00 0.00 C ATOM 271 O MET A 21 1.910 5.933 4.166 1.00 0.00 O ATOM 272 CB MET A 21 4.415 5.716 1.836 1.00 0.00 C ATOM 273 CG MET A 21 4.906 6.588 0.714 1.00 0.00 C ATOM 274 SD MET A 21 6.398 7.512 1.103 1.00 0.00 S ATOM 275 CE MET A 21 6.302 8.778 -0.163 1.00 0.00 C ATOM 0 H MET A 21 5.907 6.424 3.567 1.00 0.00 H new ATOM 0 HA MET A 21 3.291 7.352 2.730 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.224 5.062 2.162 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.616 5.074 1.467 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.095 5.965 -0.160 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.118 7.290 0.441 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.276 8.892 -0.639 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.564 8.489 -0.912 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.007 9.724 0.290 1.00 0.00 H new ATOM 285 N LEU A 22 3.584 4.421 4.201 1.00 0.00 N ATOM 286 CA LEU A 22 2.889 3.388 4.975 1.00 0.00 C ATOM 287 C LEU A 22 1.772 3.934 5.864 1.00 0.00 C ATOM 288 O LEU A 22 0.697 3.340 5.948 1.00 0.00 O ATOM 289 CB LEU A 22 3.898 2.615 5.824 1.00 0.00 C ATOM 290 CG LEU A 22 4.275 1.236 5.285 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.556 0.746 5.940 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.142 0.250 5.515 1.00 0.00 C ATOM 0 H LEU A 22 4.534 4.157 3.938 1.00 0.00 H new ATOM 0 HA LEU A 22 2.410 2.728 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.805 3.212 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.490 2.497 6.828 1.00 0.00 H new ATOM 0 HG LEU A 22 4.447 1.315 4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.813 -0.238 5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.365 1.445 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.411 0.679 7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.426 -0.728 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.940 0.170 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.246 0.599 5.001 1.00 0.00 H new ATOM 304 N GLN A 23 2.019 5.058 6.523 1.00 0.00 N ATOM 305 CA GLN A 23 1.010 5.651 7.390 1.00 0.00 C ATOM 306 C GLN A 23 -0.180 6.142 6.574 1.00 0.00 C ATOM 307 O GLN A 23 -1.316 5.720 6.797 1.00 0.00 O ATOM 308 CB GLN A 23 1.595 6.809 8.199 1.00 0.00 C ATOM 309 CG GLN A 23 0.548 7.567 9.000 1.00 0.00 C ATOM 310 CD GLN A 23 0.780 7.479 10.496 1.00 0.00 C ATOM 311 OE1 GLN A 23 1.128 8.468 11.142 1.00 0.00 O ATOM 312 NE2 GLN A 23 0.588 6.290 11.054 1.00 0.00 N ATOM 0 H GLN A 23 2.898 5.572 6.475 1.00 0.00 H new ATOM 0 HA GLN A 23 0.672 4.879 8.081 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.354 6.422 8.879 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.096 7.500 7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.552 8.614 8.697 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.440 7.171 8.766 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.300 5.498 10.480 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.729 6.169 12.057 1.00 0.00 H new ATOM 321 N ALA A 24 0.085 7.040 5.630 1.00 0.00 N ATOM 322 CA ALA A 24 -0.969 7.591 4.790 1.00 0.00 C ATOM 323 C ALA A 24 -1.428 6.600 3.720 1.00 0.00 C ATOM 324 O ALA A 24 -2.359 6.881 2.967 1.00 0.00 O ATOM 325 CB ALA A 24 -0.486 8.876 4.142 1.00 0.00 C ATOM 0 H ALA A 24 1.018 7.400 5.429 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.829 7.800 5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.277 9.286 3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.226 9.598 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.392 8.667 3.530 1.00 0.00 H new ATOM 331 N PHE A 25 -0.777 5.442 3.652 1.00 0.00 N ATOM 332 CA PHE A 25 -1.127 4.430 2.676 1.00 0.00 C ATOM 333 C PHE A 25 -2.038 3.383 3.297 1.00 0.00 C ATOM 334 O PHE A 25 -2.840 2.750 2.611 1.00 0.00 O ATOM 335 CB PHE A 25 0.138 3.774 2.145 1.00 0.00 C ATOM 336 CG PHE A 25 -0.077 2.967 0.901 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.828 1.803 0.929 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.474 3.374 -0.299 1.00 0.00 C ATOM 339 CE1 PHE A 25 -1.022 1.063 -0.219 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.284 2.639 -1.448 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.464 1.481 -1.408 1.00 0.00 C ATOM 0 H PHE A 25 -0.003 5.186 4.265 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.660 4.904 1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.879 4.547 1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.554 3.128 2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.266 1.472 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.061 4.280 -0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.610 0.158 -0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.720 2.969 -2.379 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.612 0.902 -2.308 1.00 0.00 H new ATOM 351 N SER A 26 -1.917 3.211 4.607 1.00 0.00 N ATOM 352 CA SER A 26 -2.740 2.252 5.319 1.00 0.00 C ATOM 353 C SER A 26 -4.207 2.639 5.169 1.00 0.00 C ATOM 354 O SER A 26 -5.054 1.804 4.848 1.00 0.00 O ATOM 355 CB SER A 26 -2.329 2.198 6.798 1.00 0.00 C ATOM 356 OG SER A 26 -3.367 2.647 7.656 1.00 0.00 O ATOM 0 H SER A 26 -1.258 3.723 5.193 1.00 0.00 H new ATOM 0 HA SER A 26 -2.596 1.257 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.058 1.176 7.062 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.442 2.813 6.950 1.00 0.00 H new ATOM 0 HG SER A 26 -2.984 3.186 8.379 1.00 0.00 H new ATOM 362 N THR A 27 -4.495 3.920 5.386 1.00 0.00 N ATOM 363 CA THR A 27 -5.855 4.429 5.256 1.00 0.00 C ATOM 364 C THR A 27 -6.181 4.778 3.799 1.00 0.00 C ATOM 365 O THR A 27 -7.277 5.253 3.501 1.00 0.00 O ATOM 366 CB THR A 27 -6.047 5.660 6.142 1.00 0.00 C ATOM 367 OG1 THR A 27 -5.795 5.345 7.499 1.00 0.00 O ATOM 368 CG2 THR A 27 -7.438 6.248 6.056 1.00 0.00 C ATOM 0 H THR A 27 -3.805 4.622 5.652 1.00 0.00 H new ATOM 0 HA THR A 27 -6.538 3.644 5.579 1.00 0.00 H new ATOM 0 HB THR A 27 -5.336 6.398 5.770 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.921 6.146 8.050 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.506 7.118 6.709 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.643 6.548 5.028 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.168 5.502 6.369 1.00 0.00 H new ATOM 376 N GLN A 28 -5.227 4.545 2.894 1.00 0.00 N ATOM 377 CA GLN A 28 -5.419 4.840 1.476 1.00 0.00 C ATOM 378 C GLN A 28 -6.745 4.276 0.979 1.00 0.00 C ATOM 379 O GLN A 28 -7.700 5.021 0.758 1.00 0.00 O ATOM 380 CB GLN A 28 -4.253 4.267 0.655 1.00 0.00 C ATOM 381 CG GLN A 28 -3.987 4.946 -0.692 1.00 0.00 C ATOM 382 CD GLN A 28 -4.697 6.278 -0.885 1.00 0.00 C ATOM 383 OE1 GLN A 28 -4.313 7.273 -0.093 1.00 0.00 O flip ATOM 384 NE2 GLN A 28 -5.578 6.407 -1.735 1.00 0.00 N flip ATOM 0 H GLN A 28 -4.313 4.152 3.121 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.442 5.922 1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.346 4.328 1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.446 3.209 0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.914 5.103 -0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.290 4.269 -1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.841 5.615 -2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.045 7.306 -1.853 1.00 0.00 H new ATOM 393 N SER A 29 -6.813 2.956 0.828 1.00 0.00 N ATOM 394 CA SER A 29 -8.037 2.315 0.383 1.00 0.00 C ATOM 395 C SER A 29 -8.544 1.341 1.443 1.00 0.00 C ATOM 396 O SER A 29 -9.320 0.432 1.145 1.00 0.00 O ATOM 397 CB SER A 29 -7.840 1.587 -0.942 1.00 0.00 C ATOM 398 OG SER A 29 -9.072 1.443 -1.627 1.00 0.00 O ATOM 0 H SER A 29 -6.038 2.317 1.007 1.00 0.00 H new ATOM 0 HA SER A 29 -8.780 3.097 0.230 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.136 2.139 -1.564 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.403 0.605 -0.761 1.00 0.00 H new ATOM 0 HG SER A 29 -9.734 1.038 -1.028 1.00 0.00 H new ATOM 404 N GLY A 30 -8.096 1.535 2.683 1.00 0.00 N ATOM 405 CA GLY A 30 -8.509 0.667 3.767 1.00 0.00 C ATOM 406 C GLY A 30 -7.495 -0.423 4.069 1.00 0.00 C ATOM 407 O GLY A 30 -7.778 -1.334 4.843 1.00 0.00 O ATOM 0 H GLY A 30 -7.454 2.280 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.670 1.265 4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.465 0.208 3.514 1.00 0.00 H new ATOM 411 N MET A 31 -6.312 -0.338 3.459 1.00 0.00 N ATOM 412 CA MET A 31 -5.268 -1.340 3.676 1.00 0.00 C ATOM 413 C MET A 31 -4.749 -1.302 5.114 1.00 0.00 C ATOM 414 O MET A 31 -5.069 -0.390 5.875 1.00 0.00 O ATOM 415 CB MET A 31 -4.112 -1.108 2.703 1.00 0.00 C ATOM 416 CG MET A 31 -3.261 -2.344 2.462 1.00 0.00 C ATOM 417 SD MET A 31 -2.262 -2.213 0.969 1.00 0.00 S ATOM 418 CE MET A 31 -1.930 -3.937 0.628 1.00 0.00 C ATOM 0 H MET A 31 -6.054 0.409 2.815 1.00 0.00 H new ATOM 0 HA MET A 31 -5.704 -2.323 3.499 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.514 -0.763 1.750 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.478 -0.310 3.089 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.608 -2.504 3.320 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.908 -3.218 2.387 1.00 0.00 H new ATOM 0 HE1 MET A 31 -0.855 -4.113 0.658 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.421 -4.557 1.378 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.312 -4.192 -0.360 1.00 0.00 H new ATOM 428 N ASN A 32 -3.937 -2.296 5.476 1.00 0.00 N ATOM 429 CA ASN A 32 -3.366 -2.365 6.819 1.00 0.00 C ATOM 430 C ASN A 32 -2.100 -1.521 6.904 1.00 0.00 C ATOM 431 O ASN A 32 -1.826 -0.708 6.022 1.00 0.00 O ATOM 432 CB ASN A 32 -3.051 -3.798 7.197 1.00 0.00 C ATOM 433 CG ASN A 32 -3.644 -4.214 8.521 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.520 -3.546 9.071 1.00 0.00 O ATOM 435 ND2 ASN A 32 -3.155 -5.332 9.034 1.00 0.00 N ATOM 0 H ASN A 32 -3.662 -3.061 4.860 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.104 -1.972 7.518 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.423 -4.462 6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.969 -3.926 7.236 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.504 -5.679 9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.429 -5.847 8.536 1.00 0.00 H new ATOM 442 N LEU A 33 -1.325 -1.726 7.962 1.00 0.00 N ATOM 443 CA LEU A 33 -0.083 -0.988 8.150 1.00 0.00 C ATOM 444 C LEU A 33 1.132 -1.862 7.840 1.00 0.00 C ATOM 445 O LEU A 33 2.247 -1.556 8.262 1.00 0.00 O ATOM 446 CB LEU A 33 0.010 -0.464 9.585 1.00 0.00 C ATOM 447 CG LEU A 33 0.409 1.008 9.717 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.630 1.312 8.864 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.754 1.911 9.331 1.00 0.00 C ATOM 0 H LEU A 33 -1.535 -2.396 8.702 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.087 -0.146 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.955 -0.607 10.070 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.734 -1.070 10.130 1.00 0.00 H new ATOM 0 HG LEU A 33 0.665 1.203 10.758 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.897 2.363 8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.465 0.690 9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.405 1.101 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.453 2.954 9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.041 1.713 8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.601 1.713 9.987 1.00 0.00 H new ATOM 461 N GLU A 34 0.913 -2.954 7.108 1.00 0.00 N ATOM 462 CA GLU A 34 2.005 -3.862 6.760 1.00 0.00 C ATOM 463 C GLU A 34 1.953 -4.306 5.300 1.00 0.00 C ATOM 464 O GLU A 34 2.994 -4.516 4.678 1.00 0.00 O ATOM 465 CB GLU A 34 1.992 -5.085 7.679 1.00 0.00 C ATOM 466 CG GLU A 34 0.627 -5.745 7.793 1.00 0.00 C ATOM 467 CD GLU A 34 0.669 -7.228 7.476 1.00 0.00 C ATOM 468 OE1 GLU A 34 1.516 -7.636 6.654 1.00 0.00 O ATOM 469 OE2 GLU A 34 -0.145 -7.980 8.052 1.00 0.00 O ATOM 0 H GLU A 34 -0.001 -3.229 6.748 1.00 0.00 H new ATOM 0 HA GLU A 34 2.934 -3.310 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.710 -5.816 7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.326 -4.786 8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.242 -5.604 8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.069 -5.252 7.115 1.00 0.00 H new ATOM 476 N TRP A 35 0.755 -4.429 4.745 1.00 0.00 N ATOM 477 CA TRP A 35 0.619 -4.825 3.348 1.00 0.00 C ATOM 478 C TRP A 35 0.816 -3.608 2.456 1.00 0.00 C ATOM 479 O TRP A 35 1.210 -3.726 1.296 1.00 0.00 O ATOM 480 CB TRP A 35 -0.746 -5.462 3.071 1.00 0.00 C ATOM 481 CG TRP A 35 -1.256 -6.329 4.173 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.700 -5.946 5.395 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.378 -7.733 4.130 1.00 0.00 C ATOM 484 NE1 TRP A 35 -2.107 -7.033 6.116 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.910 -8.152 5.357 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.087 -8.668 3.162 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.154 -9.486 5.637 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.332 -10.002 3.436 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.859 -10.399 4.666 1.00 0.00 C ATOM 0 H TRP A 35 -0.126 -4.263 5.232 1.00 0.00 H new ATOM 0 HA TRP A 35 1.382 -5.573 3.130 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.471 -4.670 2.882 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.678 -6.056 2.160 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.728 -4.926 5.749 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.492 -7.013 7.060 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.676 -8.367 2.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.563 -9.793 6.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.112 -10.748 2.686 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.037 -11.448 4.853 1.00 0.00 H new ATOM 500 N SER A 36 0.541 -2.433 3.018 1.00 0.00 N ATOM 501 CA SER A 36 0.685 -1.180 2.298 1.00 0.00 C ATOM 502 C SER A 36 2.147 -0.914 1.944 1.00 0.00 C ATOM 503 O SER A 36 2.440 -0.303 0.916 1.00 0.00 O ATOM 504 CB SER A 36 0.126 -0.033 3.139 1.00 0.00 C ATOM 505 OG SER A 36 0.502 -0.163 4.499 1.00 0.00 O ATOM 0 H SER A 36 0.215 -2.328 3.979 1.00 0.00 H new ATOM 0 HA SER A 36 0.122 -1.251 1.367 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.488 0.918 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.961 -0.017 3.060 1.00 0.00 H new ATOM 0 HG SER A 36 -0.292 -0.351 5.042 1.00 0.00 H new ATOM 511 N GLN A 37 3.064 -1.374 2.795 1.00 0.00 N ATOM 512 CA GLN A 37 4.489 -1.173 2.550 1.00 0.00 C ATOM 513 C GLN A 37 4.933 -1.895 1.278 1.00 0.00 C ATOM 514 O GLN A 37 5.820 -1.425 0.565 1.00 0.00 O ATOM 515 CB GLN A 37 5.317 -1.630 3.763 1.00 0.00 C ATOM 516 CG GLN A 37 5.642 -3.119 3.793 1.00 0.00 C ATOM 517 CD GLN A 37 7.107 -3.403 3.513 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.721 -2.587 2.658 1.00 0.00 O flip ATOM 519 NE2 GLN A 37 7.682 -4.344 4.059 1.00 0.00 N flip ATOM 0 H GLN A 37 2.847 -1.883 3.652 1.00 0.00 H new ATOM 0 HA GLN A 37 4.662 -0.107 2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.251 -1.069 3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.774 -1.373 4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.377 -3.525 4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.028 -3.636 3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.174 -4.945 4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.667 -4.523 3.863 1.00 0.00 H new ATOM 528 N LYS A 38 4.305 -3.033 0.995 1.00 0.00 N ATOM 529 CA LYS A 38 4.632 -3.808 -0.196 1.00 0.00 C ATOM 530 C LYS A 38 4.086 -3.118 -1.436 1.00 0.00 C ATOM 531 O LYS A 38 4.709 -3.134 -2.497 1.00 0.00 O ATOM 532 CB LYS A 38 4.067 -5.225 -0.088 1.00 0.00 C ATOM 533 CG LYS A 38 5.048 -6.306 -0.512 1.00 0.00 C ATOM 534 CD LYS A 38 5.826 -6.849 0.677 1.00 0.00 C ATOM 535 CE LYS A 38 5.705 -8.361 0.777 1.00 0.00 C ATOM 536 NZ LYS A 38 6.961 -8.985 1.278 1.00 0.00 N ATOM 0 H LYS A 38 3.569 -3.437 1.573 1.00 0.00 H new ATOM 0 HA LYS A 38 5.717 -3.875 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.761 -5.408 0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.171 -5.298 -0.704 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.508 -7.119 -0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.742 -5.901 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.876 -6.572 0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.456 -6.392 1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.881 -8.616 1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.461 -8.772 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.839 -10.016 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.742 -8.763 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.181 -8.612 2.224 1.00 0.00 H new ATOM 550 N CYS A 39 2.926 -2.493 -1.285 1.00 0.00 N ATOM 551 CA CYS A 39 2.303 -1.770 -2.382 1.00 0.00 C ATOM 552 C CYS A 39 3.135 -0.543 -2.736 1.00 0.00 C ATOM 553 O CYS A 39 3.090 -0.050 -3.863 1.00 0.00 O ATOM 554 CB CYS A 39 0.883 -1.349 -1.998 1.00 0.00 C ATOM 555 SG CYS A 39 -0.230 -2.735 -1.668 1.00 0.00 S ATOM 0 H CYS A 39 2.398 -2.473 -0.412 1.00 0.00 H new ATOM 0 HA CYS A 39 2.251 -2.425 -3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.930 -0.715 -1.113 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.464 -0.743 -2.802 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.176 -2.350 -0.864 1.00 0.00 H new ATOM 561 N LEU A 40 3.900 -0.059 -1.759 1.00 0.00 N ATOM 562 CA LEU A 40 4.750 1.105 -1.951 1.00 0.00 C ATOM 563 C LEU A 40 6.190 0.707 -2.242 1.00 0.00 C ATOM 564 O LEU A 40 7.099 1.530 -2.154 1.00 0.00 O ATOM 565 CB LEU A 40 4.730 1.973 -0.712 1.00 0.00 C ATOM 566 CG LEU A 40 3.409 2.656 -0.417 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.196 2.720 1.063 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.401 4.049 -0.999 1.00 0.00 C ATOM 0 H LEU A 40 3.945 -0.461 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 40 4.358 1.655 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.001 1.358 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.500 2.738 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 40 2.602 2.082 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.246 3.211 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.180 1.710 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.006 3.285 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.447 4.529 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.210 4.632 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.540 3.993 -2.079 1.00 0.00 H new ATOM 580 N GLN A 41 6.401 -0.551 -2.574 1.00 0.00 N ATOM 581 CA GLN A 41 7.741 -1.032 -2.873 1.00 0.00 C ATOM 582 C GLN A 41 7.856 -1.425 -4.344 1.00 0.00 C ATOM 583 O GLN A 41 8.953 -1.453 -4.904 1.00 0.00 O ATOM 584 CB GLN A 41 8.101 -2.213 -1.971 1.00 0.00 C ATOM 585 CG GLN A 41 8.335 -1.820 -0.521 1.00 0.00 C ATOM 586 CD GLN A 41 9.780 -1.993 -0.096 1.00 0.00 C ATOM 587 OE1 GLN A 41 10.445 -1.031 0.291 1.00 0.00 O ATOM 588 NE2 GLN A 41 10.274 -3.223 -0.167 1.00 0.00 N ATOM 0 H GLN A 41 5.669 -1.257 -2.644 1.00 0.00 H new ATOM 0 HA GLN A 41 8.446 -0.224 -2.679 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.300 -2.950 -2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.999 -2.695 -2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.040 -0.780 -0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.696 -2.424 0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.687 -3.990 -0.494 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.241 -3.401 0.105 1.00 0.00 H new ATOM 597 N ASP A 42 6.718 -1.714 -4.970 1.00 0.00 N ATOM 598 CA ASP A 42 6.691 -2.087 -6.379 1.00 0.00 C ATOM 599 C ASP A 42 6.679 -0.840 -7.254 1.00 0.00 C ATOM 600 O ASP A 42 7.165 -0.854 -8.385 1.00 0.00 O ATOM 601 CB ASP A 42 5.461 -2.947 -6.679 1.00 0.00 C ATOM 602 CG ASP A 42 5.715 -4.423 -6.443 1.00 0.00 C ATOM 603 OD1 ASP A 42 6.677 -4.961 -7.030 1.00 0.00 O ATOM 604 OD2 ASP A 42 4.951 -5.040 -5.671 1.00 0.00 O ATOM 0 H ASP A 42 5.802 -1.697 -4.522 1.00 0.00 H new ATOM 0 HA ASP A 42 7.587 -2.666 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.631 -2.620 -6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.159 -2.794 -7.715 1.00 0.00 H new ATOM 609 N ASN A 43 6.118 0.239 -6.716 1.00 0.00 N ATOM 610 CA ASN A 43 6.036 1.504 -7.436 1.00 0.00 C ATOM 611 C ASN A 43 7.143 2.468 -7.000 1.00 0.00 C ATOM 612 O ASN A 43 7.354 3.501 -7.635 1.00 0.00 O ATOM 613 CB ASN A 43 4.664 2.139 -7.222 1.00 0.00 C ATOM 614 CG ASN A 43 3.558 1.353 -7.900 1.00 0.00 C ATOM 615 OD1 ASN A 43 2.921 1.835 -8.836 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.327 0.132 -7.427 1.00 0.00 N ATOM 0 H ASN A 43 5.712 0.261 -5.780 1.00 0.00 H new ATOM 0 HA ASN A 43 6.174 1.299 -8.498 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.458 2.205 -6.154 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.673 3.158 -7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.596 -0.446 -7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.880 -0.227 -6.649 1.00 0.00 H new ATOM 623 N ASN A 44 7.857 2.113 -5.926 1.00 0.00 N ATOM 624 CA ASN A 44 8.964 2.922 -5.405 1.00 0.00 C ATOM 625 C ASN A 44 8.499 4.007 -4.438 1.00 0.00 C ATOM 626 O ASN A 44 9.132 5.058 -4.336 1.00 0.00 O ATOM 627 CB ASN A 44 9.779 3.554 -6.535 1.00 0.00 C ATOM 628 CG ASN A 44 11.123 4.071 -6.059 1.00 0.00 C ATOM 629 OD1 ASN A 44 11.363 5.278 -6.036 1.00 0.00 O ATOM 630 ND2 ASN A 44 12.007 3.156 -5.676 1.00 0.00 N ATOM 0 H ASN A 44 7.684 1.259 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 44 9.599 2.232 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.935 2.817 -7.323 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.212 4.375 -6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.928 3.444 -5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.764 2.166 -5.712 1.00 0.00 H new ATOM 637 N TRP A 45 7.426 3.743 -3.695 1.00 0.00 N ATOM 638 CA TRP A 45 6.946 4.697 -2.710 1.00 0.00 C ATOM 639 C TRP A 45 6.470 6.006 -3.318 1.00 0.00 C ATOM 640 O TRP A 45 6.522 7.049 -2.666 1.00 0.00 O ATOM 641 CB TRP A 45 8.051 4.945 -1.691 1.00 0.00 C ATOM 642 CG TRP A 45 8.418 3.679 -1.001 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.367 2.772 -1.377 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.787 3.146 0.157 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.358 1.708 -0.510 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.394 1.921 0.437 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.764 3.595 0.985 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.003 1.143 1.508 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.374 2.818 2.045 1.00 0.00 C ATOM 650 CH2 TRP A 45 6.991 1.606 2.299 1.00 0.00 C ATOM 0 H TRP A 45 6.880 2.884 -3.758 1.00 0.00 H new ATOM 0 HA TRP A 45 6.070 4.264 -2.227 1.00 0.00 H new ATOM 0 HB2 TRP A 45 8.926 5.361 -2.189 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.720 5.682 -0.959 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.025 2.876 -2.227 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.969 0.893 -0.563 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.283 4.543 0.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.483 0.197 1.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.576 3.156 2.689 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.665 1.013 3.141 1.00 0.00 H new ATOM 661 N ASP A 46 5.962 5.956 -4.544 1.00 0.00 N ATOM 662 CA ASP A 46 5.438 7.159 -5.170 1.00 0.00 C ATOM 663 C ASP A 46 4.308 7.684 -4.307 1.00 0.00 C ATOM 664 O ASP A 46 4.157 8.888 -4.109 1.00 0.00 O ATOM 665 CB ASP A 46 4.944 6.869 -6.589 1.00 0.00 C ATOM 666 CG ASP A 46 5.787 7.556 -7.646 1.00 0.00 C ATOM 667 OD1 ASP A 46 5.795 8.804 -7.680 1.00 0.00 O ATOM 668 OD2 ASP A 46 6.438 6.845 -8.439 1.00 0.00 O ATOM 0 H ASP A 46 5.903 5.112 -5.113 1.00 0.00 H new ATOM 0 HA ASP A 46 6.227 7.907 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.955 5.793 -6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.909 7.196 -6.684 1.00 0.00 H new ATOM 673 N TYR A 47 3.540 6.734 -3.783 1.00 0.00 N ATOM 674 CA TYR A 47 2.410 6.983 -2.898 1.00 0.00 C ATOM 675 C TYR A 47 1.115 7.112 -3.668 1.00 0.00 C ATOM 676 O TYR A 47 0.057 6.677 -3.213 1.00 0.00 O ATOM 677 CB TYR A 47 2.599 8.225 -2.038 1.00 0.00 C ATOM 678 CG TYR A 47 1.490 8.385 -1.036 1.00 0.00 C ATOM 679 CD1 TYR A 47 1.490 7.658 0.142 1.00 0.00 C ATOM 680 CD2 TYR A 47 0.435 9.255 -1.276 1.00 0.00 C ATOM 681 CE1 TYR A 47 0.475 7.791 1.059 1.00 0.00 C ATOM 682 CE2 TYR A 47 -0.588 9.397 -0.362 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.564 8.665 0.806 1.00 0.00 C ATOM 684 OH TYR A 47 -1.585 8.803 1.716 1.00 0.00 O ATOM 0 H TYR A 47 3.692 5.742 -3.968 1.00 0.00 H new ATOM 0 HA TYR A 47 2.358 6.114 -2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.554 8.164 -1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.641 9.107 -2.677 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.302 6.975 0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.415 9.828 -2.191 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.490 7.215 1.973 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.403 10.077 -0.560 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.049 7.946 1.820 1.00 0.00 H new ATOM 694 N THR A 48 1.205 7.718 -4.829 1.00 0.00 N ATOM 695 CA THR A 48 0.035 7.916 -5.668 1.00 0.00 C ATOM 696 C THR A 48 -0.106 6.768 -6.655 1.00 0.00 C ATOM 697 O THR A 48 -1.145 6.112 -6.718 1.00 0.00 O ATOM 698 CB THR A 48 0.127 9.248 -6.414 1.00 0.00 C ATOM 699 OG1 THR A 48 0.353 10.314 -5.510 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.117 9.576 -7.210 1.00 0.00 C ATOM 0 H THR A 48 2.074 8.084 -5.218 1.00 0.00 H new ATOM 0 HA THR A 48 -0.848 7.939 -5.029 1.00 0.00 H new ATOM 0 HB THR A 48 0.961 9.134 -7.106 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.411 11.157 -6.006 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.985 10.533 -7.714 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.290 8.796 -7.952 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.974 9.635 -6.539 1.00 0.00 H new ATOM 708 N ARG A 49 0.954 6.522 -7.416 1.00 0.00 N ATOM 709 CA ARG A 49 0.953 5.441 -8.389 1.00 0.00 C ATOM 710 C ARG A 49 0.986 4.092 -7.682 1.00 0.00 C ATOM 711 O ARG A 49 0.586 3.075 -8.250 1.00 0.00 O ATOM 712 CB ARG A 49 2.148 5.570 -9.336 1.00 0.00 C ATOM 713 CG ARG A 49 1.822 5.214 -10.777 1.00 0.00 C ATOM 714 CD ARG A 49 1.846 3.711 -10.999 1.00 0.00 C ATOM 715 NE ARG A 49 1.832 3.366 -12.417 1.00 0.00 N ATOM 716 CZ ARG A 49 1.976 2.126 -12.876 1.00 0.00 C ATOM 717 NH1 ARG A 49 2.145 1.120 -12.029 1.00 0.00 N ATOM 718 NH2 ARG A 49 1.953 1.892 -14.180 1.00 0.00 N ATOM 0 H ARG A 49 1.822 7.056 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 49 0.037 5.507 -8.976 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.522 6.593 -9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.952 4.924 -8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.838 5.605 -11.036 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.540 5.693 -11.442 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.737 3.290 -10.533 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.985 3.258 -10.508 1.00 0.00 H new ATOM 0 HE ARG A 49 1.705 4.118 -13.094 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.165 1.297 -11.025 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.255 0.169 -12.382 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.825 2.664 -14.834 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.064 0.940 -14.529 1.00 0.00 H new ATOM 732 N SER A 50 1.442 4.090 -6.432 1.00 0.00 N ATOM 733 CA SER A 50 1.498 2.865 -5.653 1.00 0.00 C ATOM 734 C SER A 50 0.093 2.478 -5.231 1.00 0.00 C ATOM 735 O SER A 50 -0.473 1.521 -5.750 1.00 0.00 O ATOM 736 CB SER A 50 2.401 3.044 -4.429 1.00 0.00 C ATOM 737 OG SER A 50 3.638 3.636 -4.785 1.00 0.00 O ATOM 0 H SER A 50 1.776 4.920 -5.943 1.00 0.00 H new ATOM 0 HA SER A 50 1.922 2.068 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.897 3.667 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.580 2.076 -3.961 1.00 0.00 H new ATOM 0 HG SER A 50 4.300 3.455 -4.086 1.00 0.00 H new ATOM 743 N ALA A 51 -0.475 3.236 -4.300 1.00 0.00 N ATOM 744 CA ALA A 51 -1.828 2.969 -3.837 1.00 0.00 C ATOM 745 C ALA A 51 -2.803 2.865 -5.005 1.00 0.00 C ATOM 746 O ALA A 51 -3.862 2.262 -4.877 1.00 0.00 O ATOM 747 CB ALA A 51 -2.286 4.038 -2.862 1.00 0.00 C ATOM 0 H ALA A 51 -0.022 4.034 -3.855 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.815 2.010 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.300 3.817 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.618 4.056 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.269 5.010 -3.354 1.00 0.00 H new ATOM 753 N GLN A 52 -2.450 3.449 -6.146 1.00 0.00 N ATOM 754 CA GLN A 52 -3.323 3.392 -7.312 1.00 0.00 C ATOM 755 C GLN A 52 -3.378 1.975 -7.865 1.00 0.00 C ATOM 756 O GLN A 52 -4.455 1.454 -8.156 1.00 0.00 O ATOM 757 CB GLN A 52 -2.847 4.366 -8.391 1.00 0.00 C ATOM 758 CG GLN A 52 -3.641 4.276 -9.684 1.00 0.00 C ATOM 759 CD GLN A 52 -5.069 4.764 -9.527 1.00 0.00 C ATOM 760 OE1 GLN A 52 -5.997 3.968 -9.381 1.00 0.00 O ATOM 761 NE2 GLN A 52 -5.251 6.078 -9.555 1.00 0.00 N ATOM 0 H GLN A 52 -1.579 3.960 -6.287 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.326 3.685 -7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.912 5.383 -8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.796 4.173 -8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.142 4.865 -10.454 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.650 3.242 -10.029 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.453 6.701 -9.678 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.189 6.465 -9.453 1.00 0.00 H new ATOM 770 N ALA A 53 -2.216 1.347 -7.985 1.00 0.00 N ATOM 771 CA ALA A 53 -2.142 -0.021 -8.480 1.00 0.00 C ATOM 772 C ALA A 53 -2.587 -1.004 -7.403 1.00 0.00 C ATOM 773 O ALA A 53 -2.950 -2.143 -7.694 1.00 0.00 O ATOM 774 CB ALA A 53 -0.725 -0.339 -8.918 1.00 0.00 C ATOM 0 H ALA A 53 -1.315 1.761 -7.747 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.810 -0.117 -9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.679 -1.364 -9.287 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.427 0.346 -9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.049 -0.228 -8.071 1.00 0.00 H new ATOM 780 N PHE A 54 -2.557 -0.547 -6.157 1.00 0.00 N ATOM 781 CA PHE A 54 -2.953 -1.361 -5.027 1.00 0.00 C ATOM 782 C PHE A 54 -4.465 -1.538 -5.018 1.00 0.00 C ATOM 783 O PHE A 54 -4.963 -2.629 -4.750 1.00 0.00 O ATOM 784 CB PHE A 54 -2.434 -0.713 -3.721 1.00 0.00 C ATOM 785 CG PHE A 54 -3.438 -0.591 -2.595 1.00 0.00 C ATOM 786 CD1 PHE A 54 -3.790 -1.703 -1.850 1.00 0.00 C ATOM 787 CD2 PHE A 54 -4.025 0.632 -2.288 1.00 0.00 C ATOM 788 CE1 PHE A 54 -4.705 -1.601 -0.823 1.00 0.00 C ATOM 789 CE2 PHE A 54 -4.945 0.737 -1.258 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.279 -0.382 -0.530 1.00 0.00 C ATOM 0 H PHE A 54 -2.258 0.396 -5.908 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.511 -2.354 -5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.585 -1.295 -3.363 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.060 0.283 -3.957 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.344 -2.660 -2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.760 1.510 -2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.972 -2.476 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.397 1.690 -1.028 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.995 -0.305 0.275 1.00 0.00 H new ATOM 800 N THR A 55 -5.189 -0.460 -5.307 1.00 0.00 N ATOM 801 CA THR A 55 -6.639 -0.519 -5.315 1.00 0.00 C ATOM 802 C THR A 55 -7.129 -1.581 -6.289 1.00 0.00 C ATOM 803 O THR A 55 -7.998 -2.386 -5.957 1.00 0.00 O ATOM 804 CB THR A 55 -7.246 0.838 -5.667 1.00 0.00 C ATOM 805 OG1 THR A 55 -7.284 1.025 -7.071 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.501 2.008 -5.066 1.00 0.00 C ATOM 0 H THR A 55 -4.796 0.453 -5.536 1.00 0.00 H new ATOM 0 HA THR A 55 -6.964 -0.788 -4.310 1.00 0.00 H new ATOM 0 HB THR A 55 -8.251 0.817 -5.245 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.372 1.147 -7.410 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.988 2.938 -5.358 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.504 1.922 -3.979 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.472 2.008 -5.427 1.00 0.00 H new ATOM 814 N HIS A 56 -6.556 -1.588 -7.487 1.00 0.00 N ATOM 815 CA HIS A 56 -6.930 -2.566 -8.497 1.00 0.00 C ATOM 816 C HIS A 56 -6.612 -3.976 -8.011 1.00 0.00 C ATOM 817 O HIS A 56 -7.230 -4.950 -8.439 1.00 0.00 O ATOM 818 CB HIS A 56 -6.184 -2.289 -9.801 1.00 0.00 C ATOM 819 CG HIS A 56 -6.712 -3.063 -10.969 1.00 0.00 C ATOM 820 ND1 HIS A 56 -6.009 -3.265 -12.136 1.00 0.00 N ATOM 821 CD2 HIS A 56 -7.901 -3.693 -11.136 1.00 0.00 C ATOM 822 CE1 HIS A 56 -6.776 -3.994 -12.958 1.00 0.00 C ATOM 823 NE2 HIS A 56 -7.935 -4.281 -12.397 1.00 0.00 N ATOM 0 H HIS A 56 -5.834 -0.930 -7.780 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.002 -2.486 -8.676 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.243 -1.224 -10.025 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.129 -2.528 -9.664 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -5.071 -2.921 -12.339 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.696 -3.732 -10.406 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.484 -4.306 -13.950 1.00 0.00 H new ATOM 831 N LEU A 57 -5.629 -4.071 -7.121 1.00 0.00 N ATOM 832 CA LEU A 57 -5.204 -5.354 -6.576 1.00 0.00 C ATOM 833 C LEU A 57 -6.094 -5.808 -5.415 1.00 0.00 C ATOM 834 O LEU A 57 -6.154 -6.996 -5.104 1.00 0.00 O ATOM 835 CB LEU A 57 -3.749 -5.262 -6.110 1.00 0.00 C ATOM 836 CG LEU A 57 -3.229 -6.481 -5.346 1.00 0.00 C ATOM 837 CD1 LEU A 57 -2.013 -7.070 -6.043 1.00 0.00 C ATOM 838 CD2 LEU A 57 -2.893 -6.105 -3.912 1.00 0.00 C ATOM 0 H LEU A 57 -5.110 -3.270 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.294 -6.096 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.115 -5.103 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.643 -4.383 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.013 -7.238 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.658 -7.936 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.285 -7.376 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.223 -6.321 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.524 -6.983 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.125 -5.331 -3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.788 -5.730 -3.415 1.00 0.00 H new ATOM 850 N LYS A 58 -6.777 -4.863 -4.769 1.00 0.00 N ATOM 851 CA LYS A 58 -7.646 -5.195 -3.638 1.00 0.00 C ATOM 852 C LYS A 58 -8.730 -6.191 -4.039 1.00 0.00 C ATOM 853 O LYS A 58 -9.079 -7.083 -3.267 1.00 0.00 O ATOM 854 CB LYS A 58 -8.295 -3.935 -3.058 1.00 0.00 C ATOM 855 CG LYS A 58 -7.300 -2.879 -2.607 1.00 0.00 C ATOM 856 CD LYS A 58 -7.998 -1.615 -2.128 1.00 0.00 C ATOM 857 CE LYS A 58 -9.038 -1.128 -3.128 1.00 0.00 C ATOM 858 NZ LYS A 58 -10.421 -1.486 -2.709 1.00 0.00 N ATOM 0 H LYS A 58 -6.747 -3.871 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.018 -5.656 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.955 -3.500 -3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.919 -4.217 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.683 -3.280 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.630 -2.635 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.479 -1.807 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.258 -0.832 -1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.960 -0.046 -3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.831 -1.561 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.060 -1.420 -3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.431 -2.458 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.740 -0.830 -1.967 1.00 0.00 H new ATOM 872 N ALA A 59 -9.269 -6.028 -5.241 1.00 0.00 N ATOM 873 CA ALA A 59 -10.323 -6.911 -5.728 1.00 0.00 C ATOM 874 C ALA A 59 -9.846 -7.780 -6.888 1.00 0.00 C ATOM 875 O ALA A 59 -10.211 -8.951 -6.988 1.00 0.00 O ATOM 876 CB ALA A 59 -11.537 -6.096 -6.147 1.00 0.00 C ATOM 0 H ALA A 59 -8.995 -5.295 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.599 -7.577 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.317 -6.765 -6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.910 -5.533 -5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.255 -5.405 -6.941 1.00 0.00 H new ATOM 882 N LYS A 60 -9.034 -7.200 -7.766 1.00 0.00 N ATOM 883 CA LYS A 60 -8.516 -7.925 -8.921 1.00 0.00 C ATOM 884 C LYS A 60 -7.336 -8.804 -8.529 1.00 0.00 C ATOM 885 O LYS A 60 -7.192 -9.927 -9.011 1.00 0.00 O ATOM 886 CB LYS A 60 -8.085 -6.941 -10.007 1.00 0.00 C ATOM 887 CG LYS A 60 -8.298 -7.463 -11.417 1.00 0.00 C ATOM 888 CD LYS A 60 -7.503 -8.733 -11.667 1.00 0.00 C ATOM 889 CE LYS A 60 -8.387 -9.968 -11.591 1.00 0.00 C ATOM 890 NZ LYS A 60 -9.492 -9.922 -12.589 1.00 0.00 N ATOM 0 H LYS A 60 -8.721 -6.232 -7.700 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.311 -8.564 -9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.640 -6.011 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.030 -6.702 -9.872 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.358 -7.659 -11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.002 -6.700 -12.137 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.032 -8.681 -12.649 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.701 -8.812 -10.933 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.782 -10.859 -11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.806 -10.053 -10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.765 -10.891 -12.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.311 -9.431 -12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.173 -9.412 -13.437 1.00 0.00 H new ATOM 904 N GLY A 61 -6.491 -8.275 -7.658 1.00 0.00 N ATOM 905 CA GLY A 61 -5.323 -9.008 -7.210 1.00 0.00 C ATOM 906 C GLY A 61 -5.643 -10.005 -6.115 1.00 0.00 C ATOM 907 O GLY A 61 -6.628 -10.738 -6.202 1.00 0.00 O ATOM 0 H GLY A 61 -6.593 -7.346 -7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.882 -9.534 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.574 -8.304 -6.847 1.00 0.00 H new ATOM 911 N GLU A 62 -4.807 -10.035 -5.082 1.00 0.00 N ATOM 912 CA GLU A 62 -5.005 -10.954 -3.968 1.00 0.00 C ATOM 913 C GLU A 62 -4.640 -10.296 -2.640 1.00 0.00 C ATOM 914 O GLU A 62 -3.546 -10.501 -2.115 1.00 0.00 O ATOM 915 CB GLU A 62 -4.171 -12.219 -4.169 1.00 0.00 C ATOM 916 CG GLU A 62 -4.852 -13.483 -3.672 1.00 0.00 C ATOM 917 CD GLU A 62 -4.174 -14.744 -4.168 1.00 0.00 C ATOM 918 OE1 GLU A 62 -3.527 -14.691 -5.235 1.00 0.00 O ATOM 919 OE2 GLU A 62 -4.287 -15.787 -3.488 1.00 0.00 O ATOM 0 H GLU A 62 -3.987 -9.434 -4.994 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.061 -11.222 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.946 -12.331 -5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.219 -12.102 -3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.858 -13.483 -2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.892 -13.482 -3.997 1.00 0.00 H new ATOM 926 N ILE A 63 -5.568 -9.513 -2.099 1.00 0.00 N ATOM 927 CA ILE A 63 -5.349 -8.834 -0.828 1.00 0.00 C ATOM 928 C ILE A 63 -6.093 -9.553 0.293 1.00 0.00 C ATOM 929 O ILE A 63 -7.303 -9.389 0.445 1.00 0.00 O ATOM 930 CB ILE A 63 -5.810 -7.349 -0.887 1.00 0.00 C ATOM 931 CG1 ILE A 63 -4.819 -6.534 -1.727 1.00 0.00 C ATOM 932 CG2 ILE A 63 -5.958 -6.743 0.515 1.00 0.00 C ATOM 933 CD1 ILE A 63 -5.030 -5.036 -1.645 1.00 0.00 C ATOM 0 H ILE A 63 -6.479 -9.333 -2.522 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.278 -8.854 -0.627 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.793 -7.316 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.805 -6.766 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.899 -6.846 -2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.281 -5.705 0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.699 -7.309 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.999 -6.783 1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.291 -4.530 -2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.031 -4.790 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.920 -4.709 -0.611 1.00 0.00 H new ATOM 945 N PRO A 64 -5.379 -10.336 1.113 1.00 0.00 N ATOM 946 CA PRO A 64 -5.999 -11.035 2.232 1.00 0.00 C ATOM 947 C PRO A 64 -6.774 -10.054 3.100 1.00 0.00 C ATOM 948 O PRO A 64 -6.318 -8.936 3.335 1.00 0.00 O ATOM 949 CB PRO A 64 -4.802 -11.613 2.988 1.00 0.00 C ATOM 950 CG PRO A 64 -3.746 -11.756 1.953 1.00 0.00 C ATOM 951 CD PRO A 64 -3.926 -10.575 1.046 1.00 0.00 C ATOM 0 HA PRO A 64 -6.715 -11.799 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.483 -10.951 3.793 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.045 -12.573 3.443 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.753 -11.761 2.401 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.854 -12.693 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.357 -9.711 1.388 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.597 -10.791 0.029 1.00 0.00 H new ATOM 959 N GLU A 65 -7.951 -10.454 3.552 1.00 0.00 N ATOM 960 CA GLU A 65 -8.778 -9.577 4.372 1.00 0.00 C ATOM 961 C GLU A 65 -8.002 -9.065 5.580 1.00 0.00 C ATOM 962 O GLU A 65 -8.101 -7.891 5.926 1.00 0.00 O ATOM 963 CB GLU A 65 -10.047 -10.289 4.827 1.00 0.00 C ATOM 964 CG GLU A 65 -10.643 -11.219 3.781 1.00 0.00 C ATOM 965 CD GLU A 65 -12.103 -11.529 4.041 1.00 0.00 C ATOM 966 OE1 GLU A 65 -12.601 -11.173 5.129 1.00 0.00 O ATOM 967 OE2 GLU A 65 -12.749 -12.129 3.157 1.00 0.00 O ATOM 0 H GLU A 65 -8.355 -11.372 3.368 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.062 -8.724 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.826 -10.864 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.792 -9.542 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.542 -10.764 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.076 -12.149 3.762 1.00 0.00 H new ATOM 974 N VAL A 66 -7.219 -9.953 6.205 1.00 0.00 N ATOM 975 CA VAL A 66 -6.391 -9.613 7.375 1.00 0.00 C ATOM 976 C VAL A 66 -5.875 -8.169 7.295 1.00 0.00 C ATOM 977 O VAL A 66 -5.758 -7.480 8.307 1.00 0.00 O ATOM 978 CB VAL A 66 -5.202 -10.613 7.491 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.644 -10.918 6.119 1.00 0.00 C ATOM 980 CG2 VAL A 66 -4.080 -10.115 8.397 1.00 0.00 C ATOM 0 H VAL A 66 -7.140 -10.928 5.916 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.012 -9.691 8.267 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.604 -11.517 7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.813 -11.618 6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.424 -11.360 5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.292 -9.996 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.284 -10.859 8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.684 -9.179 8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.469 -9.951 9.402 1.00 0.00 H new ATOM 990 N ALA A 67 -5.586 -7.726 6.080 1.00 0.00 N ATOM 991 CA ALA A 67 -5.102 -6.373 5.847 1.00 0.00 C ATOM 992 C ALA A 67 -6.142 -5.338 6.266 1.00 0.00 C ATOM 993 O ALA A 67 -5.957 -4.622 7.251 1.00 0.00 O ATOM 994 CB ALA A 67 -4.745 -6.200 4.381 1.00 0.00 C ATOM 0 H ALA A 67 -5.679 -8.289 5.234 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.211 -6.216 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.383 -5.186 4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.966 -6.913 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.629 -6.377 3.768 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.232 -5.260 5.511 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.296 -4.307 5.806 1.00 0.00 C ATOM 1002 C PHE A 68 -8.786 -4.458 7.243 1.00 0.00 C ATOM 1003 O PHE A 68 -8.746 -3.510 8.028 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.465 -4.497 4.835 1.00 0.00 C ATOM 1005 CG PHE A 68 -9.074 -4.424 3.399 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.904 -3.202 2.779 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -8.888 -5.579 2.668 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.554 -3.133 1.451 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.537 -5.519 1.341 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.369 -4.294 0.726 1.00 0.00 C ATOM 0 H PHE A 68 -7.402 -5.844 4.692 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.889 -3.303 5.685 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.930 -5.464 5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.219 -3.736 5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -9.047 -2.292 3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.020 -6.540 3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.424 -2.172 0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.392 -6.430 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.094 -4.244 -0.317 1.00 0.00 H new ATOM 1020 N MET A 69 -9.243 -5.657 7.579 1.00 0.00 N ATOM 1021 CA MET A 69 -9.742 -5.945 8.917 1.00 0.00 C ATOM 1022 C MET A 69 -9.872 -7.450 9.128 1.00 0.00 C ATOM 1023 O MET A 69 -10.000 -8.212 8.170 1.00 0.00 O ATOM 1024 CB MET A 69 -11.095 -5.267 9.139 1.00 0.00 C ATOM 1025 CG MET A 69 -11.434 -5.048 10.604 1.00 0.00 C ATOM 1026 SD MET A 69 -12.183 -3.437 10.911 1.00 0.00 S ATOM 1027 CE MET A 69 -11.228 -2.883 12.322 1.00 0.00 C ATOM 0 H MET A 69 -9.278 -6.450 6.939 1.00 0.00 H new ATOM 0 HA MET A 69 -9.028 -5.551 9.640 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.098 -4.305 8.627 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.876 -5.875 8.681 1.00 0.00 H new ATOM 0 HG2 MET A 69 -12.116 -5.831 10.936 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.527 -5.142 11.201 1.00 0.00 H new ATOM 0 HE1 MET A 69 -11.574 -1.897 12.631 1.00 0.00 H new ATOM 0 HE2 MET A 69 -11.354 -3.586 13.145 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.174 -2.829 12.049 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.835 -7.873 10.387 1.00 0.00 N ATOM 1038 CA LYS A 70 -9.946 -9.289 10.719 1.00 0.00 C ATOM 1039 C LYS A 70 -9.909 -9.498 12.230 1.00 0.00 C ATOM 1040 O LYS A 70 -10.362 -8.593 12.962 1.00 0.00 O ATOM 1041 CB LYS A 70 -8.815 -10.080 10.055 1.00 0.00 C ATOM 1042 CG LYS A 70 -7.445 -9.810 10.659 1.00 0.00 C ATOM 1043 CD LYS A 70 -7.119 -8.325 10.662 1.00 0.00 C ATOM 1044 CE LYS A 70 -5.640 -8.077 10.911 1.00 0.00 C ATOM 1045 NZ LYS A 70 -5.185 -8.675 12.197 1.00 0.00 N ATOM 1046 OXT LYS A 70 -9.430 -10.565 12.667 1.00 0.00 O ATOM 0 H LYS A 70 -9.729 -7.257 11.193 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.903 -9.651 10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.034 -11.145 10.133 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.788 -9.837 8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.415 -10.192 11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.685 -10.349 10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.406 -7.887 9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.707 -7.824 11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.058 -8.496 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.449 -7.004 10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.223 -8.344 12.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.830 -8.388 12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.184 -9.712 12.117 1.00 0.00 H new