USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 770 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 91 ASN : amide:sc= 0.0661 X(o=0.32,f=0.53) USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.258 USER MOD Set 2.1: A 70 LYS NZ :NH3+ 159:sc= -1.76 (180deg=-2.79!) USER MOD Set 2.2: A 102 ASN :FLIP amide:sc= -0.756 F(o=-3.9,f=-2.5) USER MOD Set 3.1: A 45 HIS : no HD1:sc= -0.266 X(o=-1.8,f=-2.3) USER MOD Set 3.2: A 47 THR OG1 : rot -99:sc= 0.253 USER MOD Set 3.3: A 48 HIS : no HD1:sc= -0.0967 K(o=-1.8,f=-5.3) USER MOD Set 3.4: A 86 SER OG : rot 91:sc= -1.74! USER MOD Set 4.1: A 20 GLN : amide:sc= -4.65 K(o=-4.7,f=-6.1!) USER MOD Set 4.2: A 66 LYS NZ :NH3+ 161:sc= -0.0795 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -130:sc= -1.15 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -5:sc= 0.686 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 80:sc= -0.944 USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= -0.408 (180deg=-1.93!) USER MOD Single : A 41 GLN : amide:sc= -1.75 K(o=-1.8,f=-8!) USER MOD Single : A 49 MET CE :methyl 150:sc= -0.767 (180deg=-2.01!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.275 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0275 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0621 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.752 K(o=-0.75,f=-2.6!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 135:sc= -0.306 (180deg=-3.39!) USER MOD Single : A 88 LYS NZ :NH3+ 173:sc= 1.13 (180deg=1.08) USER MOD Single : A 92 GLN : amide:sc= -0.113 K(o=-0.11,f=-9.8!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.43 K(o=0.43,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 14.220 1.375 8.202 1.00 0.00 N ATOM 229 CA LEU A 12 13.147 1.853 7.338 1.00 0.00 C ATOM 230 C LEU A 12 12.995 3.366 7.444 1.00 0.00 C ATOM 231 O LEU A 12 13.371 3.984 8.440 1.00 0.00 O ATOM 232 CB LEU A 12 11.828 1.170 7.704 1.00 0.00 C ATOM 233 CG LEU A 12 11.639 -0.252 7.173 1.00 0.00 C ATOM 234 CD1 LEU A 12 10.502 -0.948 7.905 1.00 0.00 C ATOM 235 CD2 LEU A 12 11.376 -0.230 5.673 1.00 0.00 C ATOM 0 HA LEU A 12 13.405 1.604 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.744 1.145 8.790 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.008 1.786 7.335 1.00 0.00 H new ATOM 0 HG LEU A 12 12.557 -0.812 7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.382 -1.958 7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.730 -0.996 8.970 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.578 -0.389 7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.244 -1.250 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.473 0.347 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.222 0.229 5.162 1.00 0.00 H new ATOM 247 N PRO A 13 12.430 3.980 6.394 1.00 0.00 N ATOM 248 CA PRO A 13 12.213 5.429 6.345 1.00 0.00 C ATOM 249 C PRO A 13 11.131 5.885 7.319 1.00 0.00 C ATOM 250 O PRO A 13 10.651 5.104 8.139 1.00 0.00 O ATOM 251 CB PRO A 13 11.770 5.674 4.900 1.00 0.00 C ATOM 252 CG PRO A 13 11.180 4.378 4.460 1.00 0.00 C ATOM 253 CD PRO A 13 11.959 3.306 5.172 1.00 0.00 C ATOM 0 HA PRO A 13 13.106 5.985 6.630 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.040 6.482 4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.613 5.959 4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.121 4.325 4.714 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.255 4.262 3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.335 2.443 5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.790 2.944 4.567 1.00 0.00 H new ATOM 261 N ALA A 14 10.752 7.155 7.221 1.00 0.00 N ATOM 262 CA ALA A 14 9.725 7.714 8.091 1.00 0.00 C ATOM 263 C ALA A 14 8.350 7.647 7.433 1.00 0.00 C ATOM 264 O ALA A 14 8.231 7.306 6.256 1.00 0.00 O ATOM 265 CB ALA A 14 10.067 9.152 8.456 1.00 0.00 C ATOM 0 H ALA A 14 11.141 7.816 6.548 1.00 0.00 H new ATOM 0 HA ALA A 14 9.692 7.117 9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.291 9.557 9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.025 9.178 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.130 9.753 7.549 1.00 0.00 H new ATOM 271 N LEU A 15 7.315 7.972 8.200 1.00 0.00 N ATOM 272 CA LEU A 15 5.949 7.947 7.691 1.00 0.00 C ATOM 273 C LEU A 15 5.748 9.014 6.618 1.00 0.00 C ATOM 274 O LEU A 15 6.255 10.129 6.735 1.00 0.00 O ATOM 275 CB LEU A 15 4.954 8.164 8.834 1.00 0.00 C ATOM 276 CG LEU A 15 3.504 7.774 8.544 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.437 6.383 7.932 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.670 7.841 9.814 1.00 0.00 C ATOM 0 H LEU A 15 7.396 8.256 9.176 1.00 0.00 H new ATOM 0 HA LEU A 15 5.772 6.969 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.296 7.596 9.699 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.977 9.217 9.114 1.00 0.00 H new ATOM 0 HG LEU A 15 3.094 8.484 7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.397 6.123 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.000 6.369 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.865 5.659 8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.641 7.560 9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.080 7.154 10.555 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.691 8.856 10.210 1.00 0.00 H new ATOM 290 N TYR A 16 5.002 8.664 5.577 1.00 0.00 N ATOM 291 CA TYR A 16 4.734 9.589 4.483 1.00 0.00 C ATOM 292 C TYR A 16 6.020 9.948 3.745 1.00 0.00 C ATOM 293 O TYR A 16 6.130 11.019 3.147 1.00 0.00 O ATOM 294 CB TYR A 16 4.067 10.860 5.015 1.00 0.00 C ATOM 295 CG TYR A 16 2.759 10.604 5.729 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.799 9.763 5.180 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.484 11.204 6.951 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.602 9.527 5.828 1.00 0.00 C ATOM 299 CE2 TYR A 16 1.290 10.971 7.608 1.00 0.00 C ATOM 300 CZ TYR A 16 0.353 10.133 7.042 1.00 0.00 C ATOM 301 OH TYR A 16 -0.838 9.901 7.691 1.00 0.00 O ATOM 0 H TYR A 16 4.572 7.746 5.468 1.00 0.00 H new ATOM 0 HA TYR A 16 4.060 9.097 3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.752 11.361 5.699 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.890 11.543 4.184 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.992 9.286 4.231 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.215 11.863 7.395 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.135 8.872 5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.092 11.443 8.559 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.855 10.402 8.533 1.00 0.00 H new ATOM 311 N THR A 17 6.991 9.043 3.789 1.00 0.00 N ATOM 312 CA THR A 17 8.271 9.261 3.125 1.00 0.00 C ATOM 313 C THR A 17 8.252 8.717 1.701 1.00 0.00 C ATOM 314 O THR A 17 7.775 7.608 1.457 1.00 0.00 O ATOM 315 CB THR A 17 9.426 8.598 3.900 1.00 0.00 C ATOM 316 OG1 THR A 17 9.523 9.162 5.212 1.00 0.00 O ATOM 317 CG2 THR A 17 10.745 8.781 3.164 1.00 0.00 C ATOM 0 H THR A 17 6.916 8.151 4.278 1.00 0.00 H new ATOM 0 HA THR A 17 8.433 10.339 3.097 1.00 0.00 H new ATOM 0 HB THR A 17 9.217 7.531 3.979 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.451 9.424 5.388 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.546 8.305 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.677 8.325 2.176 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.958 9.845 3.058 1.00 0.00 H new ATOM 325 N ILE A 18 8.771 9.504 0.765 1.00 0.00 N ATOM 326 CA ILE A 18 8.815 9.100 -0.634 1.00 0.00 C ATOM 327 C ILE A 18 10.205 8.607 -1.022 1.00 0.00 C ATOM 328 O ILE A 18 11.202 9.294 -0.800 1.00 0.00 O ATOM 329 CB ILE A 18 8.414 10.258 -1.568 1.00 0.00 C ATOM 330 CG1 ILE A 18 6.988 10.720 -1.261 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.537 9.832 -3.023 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.513 11.846 -2.152 1.00 0.00 C ATOM 0 H ILE A 18 9.167 10.425 0.951 1.00 0.00 H new ATOM 0 HA ILE A 18 8.099 8.286 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 18 9.091 11.095 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.310 9.873 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.935 11.043 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.250 10.661 -3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.568 9.548 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.881 8.982 -3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.495 12.122 -1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.168 12.708 -2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.533 11.520 -3.192 1.00 0.00 H new ATOM 344 N PHE A 19 10.262 7.414 -1.603 1.00 0.00 N ATOM 345 CA PHE A 19 11.531 6.828 -2.023 1.00 0.00 C ATOM 346 C PHE A 19 11.340 5.933 -3.243 1.00 0.00 C ATOM 347 O PHE A 19 10.217 5.559 -3.581 1.00 0.00 O ATOM 348 CB PHE A 19 12.149 6.024 -0.878 1.00 0.00 C ATOM 349 CG PHE A 19 11.188 5.068 -0.229 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.926 3.833 -0.800 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.546 5.406 0.951 1.00 0.00 C ATOM 352 CE1 PHE A 19 10.043 2.952 -0.207 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.662 4.528 1.550 1.00 0.00 C ATOM 354 CZ PHE A 19 9.409 3.300 0.970 1.00 0.00 C ATOM 0 H PHE A 19 9.445 6.833 -1.794 1.00 0.00 H new ATOM 0 HA PHE A 19 12.206 7.640 -2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.004 5.465 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.528 6.714 -0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.418 3.556 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.738 6.366 1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.848 1.992 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.169 4.802 2.471 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.717 2.614 1.436 1.00 0.00 H new ATOM 364 N GLN A 20 12.444 5.594 -3.901 1.00 0.00 N ATOM 365 CA GLN A 20 12.398 4.744 -5.085 1.00 0.00 C ATOM 366 C GLN A 20 12.785 3.311 -4.740 1.00 0.00 C ATOM 367 O GLN A 20 13.817 3.068 -4.116 1.00 0.00 O ATOM 368 CB GLN A 20 13.330 5.291 -6.168 1.00 0.00 C ATOM 369 CG GLN A 20 12.867 4.980 -7.582 1.00 0.00 C ATOM 370 CD GLN A 20 13.581 5.815 -8.626 1.00 0.00 C ATOM 371 OE1 GLN A 20 14.574 6.481 -8.333 1.00 0.00 O ATOM 372 NE2 GLN A 20 13.079 5.783 -9.855 1.00 0.00 N ATOM 0 H GLN A 20 13.381 5.895 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 20 11.376 4.744 -5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.414 6.371 -6.051 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.327 4.876 -6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.034 3.923 -7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.793 5.154 -7.655 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.254 5.217 -10.054 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.518 6.324 -10.600 1.00 0.00 H new ATOM 381 N GLY A 21 11.948 2.362 -5.152 1.00 0.00 N ATOM 382 CA GLY A 21 12.221 0.963 -4.877 1.00 0.00 C ATOM 383 C GLY A 21 11.954 0.074 -6.076 1.00 0.00 C ATOM 384 O GLY A 21 11.283 0.484 -7.022 1.00 0.00 O ATOM 0 H GLY A 21 11.087 2.537 -5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.261 0.852 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.606 0.634 -4.040 1.00 0.00 H new ATOM 388 N GLU A 22 12.482 -1.145 -6.036 1.00 0.00 N ATOM 389 CA GLU A 22 12.299 -2.092 -7.129 1.00 0.00 C ATOM 390 C GLU A 22 11.395 -3.246 -6.704 1.00 0.00 C ATOM 391 O GLU A 22 11.481 -3.734 -5.577 1.00 0.00 O ATOM 392 CB GLU A 22 13.651 -2.636 -7.595 1.00 0.00 C ATOM 393 CG GLU A 22 13.540 -3.737 -8.635 1.00 0.00 C ATOM 394 CD GLU A 22 14.855 -4.456 -8.868 1.00 0.00 C ATOM 395 OE1 GLU A 22 15.816 -3.802 -9.323 1.00 0.00 O ATOM 396 OE2 GLU A 22 14.923 -5.672 -8.594 1.00 0.00 O ATOM 0 H GLU A 22 13.040 -1.500 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 22 11.823 -1.564 -7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.240 -1.817 -8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.196 -3.017 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.788 -4.458 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.193 -3.309 -9.576 1.00 0.00 H new ATOM 403 N VAL A 23 10.527 -3.676 -7.615 1.00 0.00 N ATOM 404 CA VAL A 23 9.606 -4.772 -7.336 1.00 0.00 C ATOM 405 C VAL A 23 10.354 -6.091 -7.175 1.00 0.00 C ATOM 406 O VAL A 23 11.172 -6.458 -8.019 1.00 0.00 O ATOM 407 CB VAL A 23 8.556 -4.921 -8.452 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.822 -6.247 -8.321 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.579 -3.757 -8.425 1.00 0.00 C ATOM 0 H VAL A 23 10.442 -3.282 -8.552 1.00 0.00 H new ATOM 0 HA VAL A 23 9.099 -4.530 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 23 9.070 -4.911 -9.413 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.084 -6.335 -9.118 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.536 -7.067 -8.396 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.319 -6.291 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.845 -3.880 -9.221 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.069 -3.732 -7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.121 -2.823 -8.573 1.00 0.00 H new ATOM 419 N ALA A 24 10.068 -6.800 -6.089 1.00 0.00 N ATOM 420 CA ALA A 24 10.711 -8.078 -5.819 1.00 0.00 C ATOM 421 C ALA A 24 9.697 -9.218 -5.836 1.00 0.00 C ATOM 422 O ALA A 24 10.057 -10.378 -6.033 1.00 0.00 O ATOM 423 CB ALA A 24 11.435 -8.035 -4.481 1.00 0.00 C ATOM 0 H ALA A 24 9.394 -6.510 -5.381 1.00 0.00 H new ATOM 0 HA ALA A 24 11.440 -8.262 -6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.911 -8.998 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.194 -7.253 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.719 -7.823 -3.687 1.00 0.00 H new ATOM 429 N MET A 25 8.430 -8.878 -5.630 1.00 0.00 N ATOM 430 CA MET A 25 7.363 -9.873 -5.623 1.00 0.00 C ATOM 431 C MET A 25 6.060 -9.278 -6.147 1.00 0.00 C ATOM 432 O MET A 25 5.714 -8.140 -5.828 1.00 0.00 O ATOM 433 CB MET A 25 7.156 -10.420 -4.210 1.00 0.00 C ATOM 434 CG MET A 25 6.270 -11.654 -4.159 1.00 0.00 C ATOM 435 SD MET A 25 6.583 -12.676 -2.706 1.00 0.00 S ATOM 436 CE MET A 25 5.093 -13.668 -2.664 1.00 0.00 C ATOM 0 H MET A 25 8.116 -7.922 -5.466 1.00 0.00 H new ATOM 0 HA MET A 25 7.658 -10.690 -6.281 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.127 -10.662 -3.777 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.715 -9.641 -3.589 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.224 -11.346 -4.163 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.431 -12.249 -5.058 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.136 -14.353 -1.817 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.225 -13.017 -2.560 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.010 -14.239 -3.589 1.00 0.00 H new ATOM 446 N VAL A 26 5.341 -10.054 -6.951 1.00 0.00 N ATOM 447 CA VAL A 26 4.075 -9.603 -7.518 1.00 0.00 C ATOM 448 C VAL A 26 2.931 -10.525 -7.110 1.00 0.00 C ATOM 449 O VAL A 26 2.978 -11.732 -7.345 1.00 0.00 O ATOM 450 CB VAL A 26 4.141 -9.534 -9.056 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.780 -9.178 -9.633 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.198 -8.533 -9.498 1.00 0.00 C ATOM 0 H VAL A 26 5.613 -10.998 -7.225 1.00 0.00 H new ATOM 0 HA VAL A 26 3.890 -8.603 -7.125 1.00 0.00 H new ATOM 0 HB VAL A 26 4.423 -10.516 -9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.846 -9.134 -10.720 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.053 -9.937 -9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.464 -8.208 -9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.232 -8.496 -10.587 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.949 -7.546 -9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.172 -8.839 -9.115 1.00 0.00 H new ATOM 462 N THR A 27 1.903 -9.947 -6.497 1.00 0.00 N ATOM 463 CA THR A 27 0.746 -10.715 -6.056 1.00 0.00 C ATOM 464 C THR A 27 -0.545 -10.148 -6.635 1.00 0.00 C ATOM 465 O THR A 27 -0.590 -8.995 -7.063 1.00 0.00 O ATOM 466 CB THR A 27 0.640 -10.737 -4.519 1.00 0.00 C ATOM 467 OG1 THR A 27 0.503 -9.402 -4.019 1.00 0.00 O ATOM 468 CG2 THR A 27 1.865 -11.394 -3.901 1.00 0.00 C ATOM 0 H THR A 27 1.848 -8.949 -6.295 1.00 0.00 H new ATOM 0 HA THR A 27 0.886 -11.733 -6.419 1.00 0.00 H new ATOM 0 HB THR A 27 -0.240 -11.319 -4.245 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.591 -8.765 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.767 -11.398 -2.815 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.949 -12.419 -4.261 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.758 -10.836 -4.183 1.00 0.00 H new ATOM 476 N ASP A 28 -1.592 -10.966 -6.647 1.00 0.00 N ATOM 477 CA ASP A 28 -2.885 -10.545 -7.172 1.00 0.00 C ATOM 478 C ASP A 28 -3.564 -9.562 -6.224 1.00 0.00 C ATOM 479 O ASP A 28 -4.680 -9.109 -6.477 1.00 0.00 O ATOM 480 CB ASP A 28 -3.787 -11.758 -7.400 1.00 0.00 C ATOM 481 CG ASP A 28 -4.953 -11.450 -8.318 1.00 0.00 C ATOM 482 OD1 ASP A 28 -4.709 -11.118 -9.497 1.00 0.00 O ATOM 483 OD2 ASP A 28 -6.110 -11.541 -7.858 1.00 0.00 O ATOM 0 H ASP A 28 -1.570 -11.925 -6.299 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.715 -10.044 -8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.198 -12.570 -7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.167 -12.110 -6.441 1.00 0.00 H new ATOM 488 N TYR A 29 -2.882 -9.237 -5.130 1.00 0.00 N ATOM 489 CA TYR A 29 -3.420 -8.311 -4.142 1.00 0.00 C ATOM 490 C TYR A 29 -2.438 -7.178 -3.865 1.00 0.00 C ATOM 491 O TYR A 29 -2.624 -6.392 -2.936 1.00 0.00 O ATOM 492 CB TYR A 29 -3.743 -9.050 -2.842 1.00 0.00 C ATOM 493 CG TYR A 29 -2.593 -9.877 -2.314 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.615 -9.308 -1.508 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.485 -11.228 -2.620 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.561 -10.058 -1.024 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.436 -11.987 -2.140 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.476 -11.397 -1.343 1.00 0.00 C ATOM 499 OH TYR A 29 0.571 -12.150 -0.861 1.00 0.00 O ATOM 0 H TYR A 29 -1.956 -9.602 -4.906 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.337 -7.882 -4.546 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.035 -8.323 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.602 -9.701 -3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.680 -8.260 -1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.234 -11.692 -3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.191 -9.599 -0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.367 -13.036 -2.387 1.00 0.00 H new ATOM 0 HH TYR A 29 0.483 -13.073 -1.177 1.00 0.00 H new ATOM 509 N GLY A 30 -1.390 -7.100 -4.679 1.00 0.00 N ATOM 510 CA GLY A 30 -0.392 -6.060 -4.507 1.00 0.00 C ATOM 511 C GLY A 30 0.987 -6.498 -4.960 1.00 0.00 C ATOM 512 O GLY A 30 1.137 -7.548 -5.585 1.00 0.00 O ATOM 0 H GLY A 30 -1.214 -7.738 -5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.692 -5.176 -5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.351 -5.770 -3.457 1.00 0.00 H new ATOM 516 N ALA A 31 1.994 -5.691 -4.647 1.00 0.00 N ATOM 517 CA ALA A 31 3.368 -6.002 -5.026 1.00 0.00 C ATOM 518 C ALA A 31 4.351 -5.537 -3.957 1.00 0.00 C ATOM 519 O ALA A 31 4.109 -4.549 -3.264 1.00 0.00 O ATOM 520 CB ALA A 31 3.702 -5.364 -6.366 1.00 0.00 C ATOM 0 H ALA A 31 1.886 -4.817 -4.132 1.00 0.00 H new ATOM 0 HA ALA A 31 3.458 -7.084 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.730 -5.604 -6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.026 -5.748 -7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.589 -4.282 -6.292 1.00 0.00 H new ATOM 526 N PHE A 32 5.460 -6.257 -3.827 1.00 0.00 N ATOM 527 CA PHE A 32 6.480 -5.920 -2.840 1.00 0.00 C ATOM 528 C PHE A 32 7.555 -5.026 -3.453 1.00 0.00 C ATOM 529 O PHE A 32 8.103 -5.333 -4.512 1.00 0.00 O ATOM 530 CB PHE A 32 7.117 -7.192 -2.279 1.00 0.00 C ATOM 531 CG PHE A 32 6.172 -8.026 -1.462 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.141 -8.724 -2.070 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.315 -8.112 -0.087 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.270 -9.493 -1.321 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.447 -8.879 0.667 1.00 0.00 C ATOM 536 CZ PHE A 32 4.422 -9.569 0.049 1.00 0.00 C ATOM 0 H PHE A 32 5.676 -7.078 -4.393 1.00 0.00 H new ATOM 0 HA PHE A 32 5.999 -5.375 -2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.498 -7.793 -3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.973 -6.918 -1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.016 -8.667 -3.141 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.114 -7.574 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.471 -10.034 -1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.570 -8.939 1.738 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.741 -10.167 0.637 1.00 0.00 H new ATOM 546 N ILE A 33 7.850 -3.920 -2.778 1.00 0.00 N ATOM 547 CA ILE A 33 8.859 -2.982 -3.255 1.00 0.00 C ATOM 548 C ILE A 33 10.071 -2.960 -2.330 1.00 0.00 C ATOM 549 O ILE A 33 9.932 -2.867 -1.109 1.00 0.00 O ATOM 550 CB ILE A 33 8.291 -1.556 -3.373 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.032 -1.555 -4.244 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.339 -0.614 -3.948 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.257 -2.108 -5.633 1.00 0.00 C ATOM 0 H ILE A 33 7.405 -3.652 -1.900 1.00 0.00 H new ATOM 0 HA ILE A 33 9.166 -3.325 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 33 8.022 -1.205 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.258 -2.141 -3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.657 -0.535 -4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.922 0.390 -4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.210 -0.596 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.636 -0.961 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.322 -2.076 -6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.008 -1.508 -6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.603 -3.139 -5.562 1.00 0.00 H new ATOM 565 N LYS A 34 11.259 -3.044 -2.917 1.00 0.00 N ATOM 566 CA LYS A 34 12.497 -3.030 -2.146 1.00 0.00 C ATOM 567 C LYS A 34 12.939 -1.599 -1.853 1.00 0.00 C ATOM 568 O LYS A 34 13.085 -0.786 -2.765 1.00 0.00 O ATOM 569 CB LYS A 34 13.601 -3.772 -2.903 1.00 0.00 C ATOM 570 CG LYS A 34 13.316 -5.250 -3.100 1.00 0.00 C ATOM 571 CD LYS A 34 14.516 -5.976 -3.688 1.00 0.00 C ATOM 572 CE LYS A 34 15.601 -6.193 -2.644 1.00 0.00 C ATOM 573 NZ LYS A 34 16.651 -7.134 -3.124 1.00 0.00 N ATOM 0 H LYS A 34 11.392 -3.123 -3.925 1.00 0.00 H new ATOM 0 HA LYS A 34 12.312 -3.535 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.739 -3.304 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.540 -3.661 -2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.049 -5.701 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.457 -5.371 -3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.199 -6.938 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.920 -5.399 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.058 -5.236 -2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.153 -6.584 -1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.372 -7.256 -2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.219 -8.055 -3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.096 -6.749 -3.982 1.00 0.00 H new ATOM 587 N ILE A 35 13.152 -1.302 -0.575 1.00 0.00 N ATOM 588 CA ILE A 35 13.580 0.029 -0.163 1.00 0.00 C ATOM 589 C ILE A 35 15.100 0.147 -0.180 1.00 0.00 C ATOM 590 O ILE A 35 15.822 -0.741 0.274 1.00 0.00 O ATOM 591 CB ILE A 35 13.066 0.375 1.246 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.540 0.263 1.298 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.514 1.772 1.647 1.00 0.00 C ATOM 594 CD1 ILE A 35 10.991 0.130 2.701 1.00 0.00 C ATOM 0 H ILE A 35 13.035 -1.964 0.192 1.00 0.00 H new ATOM 0 HA ILE A 35 13.155 0.733 -0.879 1.00 0.00 H new ATOM 0 HB ILE A 35 13.489 -0.337 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.103 1.144 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.227 -0.600 0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.142 2.001 2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.603 1.819 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.118 2.499 0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.904 0.055 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.399 -0.766 3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.273 1.005 3.287 1.00 0.00 H new ATOM 606 N PRO A 36 15.601 1.271 -0.716 1.00 0.00 N ATOM 607 CA PRO A 36 17.040 1.534 -0.802 1.00 0.00 C ATOM 608 C PRO A 36 17.666 1.789 0.564 1.00 0.00 C ATOM 609 O PRO A 36 17.121 2.532 1.379 1.00 0.00 O ATOM 610 CB PRO A 36 17.119 2.792 -1.670 1.00 0.00 C ATOM 611 CG PRO A 36 15.807 3.470 -1.475 1.00 0.00 C ATOM 612 CD PRO A 36 14.799 2.372 -1.277 1.00 0.00 C ATOM 0 HA PRO A 36 17.586 0.683 -1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.945 3.433 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.283 2.540 -2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.835 4.134 -0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.552 4.083 -2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.002 2.675 -0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.326 2.086 -2.216 1.00 0.00 H new ATOM 620 N GLY A 37 18.816 1.169 0.809 1.00 0.00 N ATOM 621 CA GLY A 37 19.498 1.342 2.078 1.00 0.00 C ATOM 622 C GLY A 37 18.723 0.749 3.238 1.00 0.00 C ATOM 623 O GLY A 37 18.875 1.183 4.380 1.00 0.00 O ATOM 0 H GLY A 37 19.288 0.549 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.481 0.875 2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.659 2.405 2.258 1.00 0.00 H new ATOM 627 N CYS A 38 17.891 -0.244 2.945 1.00 0.00 N ATOM 628 CA CYS A 38 17.087 -0.896 3.973 1.00 0.00 C ATOM 629 C CYS A 38 17.160 -2.413 3.839 1.00 0.00 C ATOM 630 O CYS A 38 17.725 -2.935 2.876 1.00 0.00 O ATOM 631 CB CYS A 38 15.632 -0.434 3.882 1.00 0.00 C ATOM 632 SG CYS A 38 15.346 1.235 4.517 1.00 0.00 S ATOM 0 H CYS A 38 17.755 -0.615 2.005 1.00 0.00 H new ATOM 0 HA CYS A 38 17.490 -0.615 4.946 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.314 -0.474 2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.005 -1.134 4.434 1.00 0.00 H new ATOM 0 HG CYS A 38 15.699 2.107 3.620 1.00 0.00 H new ATOM 638 N ARG A 39 16.589 -3.116 4.811 1.00 0.00 N ATOM 639 CA ARG A 39 16.592 -4.575 4.803 1.00 0.00 C ATOM 640 C ARG A 39 15.188 -5.120 4.561 1.00 0.00 C ATOM 641 O ARG A 39 15.002 -6.068 3.797 1.00 0.00 O ATOM 642 CB ARG A 39 17.138 -5.112 6.128 1.00 0.00 C ATOM 643 CG ARG A 39 18.584 -4.726 6.392 1.00 0.00 C ATOM 644 CD ARG A 39 19.225 -5.641 7.424 1.00 0.00 C ATOM 645 NE ARG A 39 20.670 -5.748 7.238 1.00 0.00 N ATOM 646 CZ ARG A 39 21.407 -6.723 7.757 1.00 0.00 C ATOM 647 NH1 ARG A 39 20.837 -7.670 8.490 1.00 0.00 N ATOM 648 NH2 ARG A 39 22.717 -6.753 7.543 1.00 0.00 N ATOM 0 H ARG A 39 16.118 -2.700 5.614 1.00 0.00 H new ATOM 0 HA ARG A 39 17.237 -4.908 3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 39 16.517 -4.742 6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 39 17.054 -6.199 6.132 1.00 0.00 H new ATOM 0 HG2 ARG A 39 19.150 -4.772 5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 39 18.629 -3.694 6.741 1.00 0.00 H new ATOM 0 HD2 ARG A 39 19.015 -5.262 8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.777 -6.632 7.358 1.00 0.00 H new ATOM 0 HE ARG A 39 21.138 -5.035 6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 39 19.831 -7.650 8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 39 21.405 -8.418 8.888 1.00 0.00 H new ATOM 0 HH21 ARG A 39 23.158 -6.026 6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 39 23.282 -7.503 7.942 1.00 0.00 H new ATOM 662 N LYS A 40 14.203 -4.516 5.215 1.00 0.00 N ATOM 663 CA LYS A 40 12.815 -4.938 5.070 1.00 0.00 C ATOM 664 C LYS A 40 12.155 -4.244 3.882 1.00 0.00 C ATOM 665 O LYS A 40 12.571 -3.160 3.478 1.00 0.00 O ATOM 666 CB LYS A 40 12.033 -4.637 6.350 1.00 0.00 C ATOM 667 CG LYS A 40 12.178 -5.707 7.418 1.00 0.00 C ATOM 668 CD LYS A 40 11.303 -6.913 7.122 1.00 0.00 C ATOM 669 CE LYS A 40 9.874 -6.697 7.597 1.00 0.00 C ATOM 670 NZ LYS A 40 9.035 -6.048 6.552 1.00 0.00 N ATOM 0 H LYS A 40 14.340 -3.731 5.852 1.00 0.00 H new ATOM 0 HA LYS A 40 12.805 -6.013 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.370 -3.683 6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.978 -4.523 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.220 -6.020 7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.910 -5.291 8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.305 -7.111 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.720 -7.794 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.434 -7.655 7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.879 -6.079 8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.084 -6.468 6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.965 -5.029 6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.470 -6.193 5.618 1.00 0.00 H new ATOM 684 N GLN A 41 11.124 -4.877 3.332 1.00 0.00 N ATOM 685 CA GLN A 41 10.408 -4.319 2.191 1.00 0.00 C ATOM 686 C GLN A 41 8.955 -4.025 2.552 1.00 0.00 C ATOM 687 O GLN A 41 8.469 -4.445 3.601 1.00 0.00 O ATOM 688 CB GLN A 41 10.465 -5.282 1.004 1.00 0.00 C ATOM 689 CG GLN A 41 11.857 -5.438 0.414 1.00 0.00 C ATOM 690 CD GLN A 41 12.649 -6.549 1.074 1.00 0.00 C ATOM 691 OE1 GLN A 41 13.142 -6.397 2.193 1.00 0.00 O ATOM 692 NE2 GLN A 41 12.778 -7.676 0.383 1.00 0.00 N ATOM 0 H GLN A 41 10.766 -5.775 3.657 1.00 0.00 H new ATOM 0 HA GLN A 41 10.892 -3.383 1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.103 -6.260 1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.788 -4.928 0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.774 -5.641 -0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.399 -4.498 0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.353 -7.759 -0.541 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.302 -8.458 0.776 1.00 0.00 H new ATOM 701 N GLY A 42 8.267 -3.300 1.675 1.00 0.00 N ATOM 702 CA GLY A 42 6.877 -2.962 1.920 1.00 0.00 C ATOM 703 C GLY A 42 5.948 -3.525 0.863 1.00 0.00 C ATOM 704 O GLY A 42 6.357 -3.751 -0.277 1.00 0.00 O ATOM 0 H GLY A 42 8.647 -2.941 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.581 -3.341 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.770 -1.878 1.953 1.00 0.00 H new ATOM 708 N LEU A 43 4.695 -3.753 1.239 1.00 0.00 N ATOM 709 CA LEU A 43 3.705 -4.295 0.315 1.00 0.00 C ATOM 710 C LEU A 43 2.763 -3.201 -0.176 1.00 0.00 C ATOM 711 O LEU A 43 2.249 -2.408 0.612 1.00 0.00 O ATOM 712 CB LEU A 43 2.903 -5.408 0.992 1.00 0.00 C ATOM 713 CG LEU A 43 1.628 -5.849 0.272 1.00 0.00 C ATOM 714 CD1 LEU A 43 1.961 -6.782 -0.881 1.00 0.00 C ATOM 715 CD2 LEU A 43 0.671 -6.523 1.245 1.00 0.00 C ATOM 0 H LEU A 43 4.340 -3.571 2.178 1.00 0.00 H new ATOM 0 HA LEU A 43 4.233 -4.707 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.551 -6.277 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.634 -5.076 1.995 1.00 0.00 H new ATOM 0 HG LEU A 43 1.139 -4.963 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.041 -7.085 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.607 -6.266 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.474 -7.665 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.231 -6.830 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.152 -7.399 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.405 -5.823 2.037 1.00 0.00 H new ATOM 727 N VAL A 44 2.539 -3.165 -1.487 1.00 0.00 N ATOM 728 CA VAL A 44 1.656 -2.171 -2.085 1.00 0.00 C ATOM 729 C VAL A 44 0.332 -2.796 -2.509 1.00 0.00 C ATOM 730 O VAL A 44 0.243 -3.436 -3.557 1.00 0.00 O ATOM 731 CB VAL A 44 2.310 -1.502 -3.308 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.313 -0.605 -4.024 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.542 -0.715 -2.888 1.00 0.00 C ATOM 0 H VAL A 44 2.957 -3.813 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 44 1.470 -1.414 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 44 2.623 -2.282 -4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.794 -0.141 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.464 -1.200 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.966 0.170 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.992 -0.249 -3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.255 0.057 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.263 -1.388 -2.425 1.00 0.00 H new ATOM 743 N HIS A 45 -0.696 -2.606 -1.687 1.00 0.00 N ATOM 744 CA HIS A 45 -2.018 -3.151 -1.979 1.00 0.00 C ATOM 745 C HIS A 45 -2.460 -2.778 -3.390 1.00 0.00 C ATOM 746 O HIS A 45 -2.030 -1.763 -3.938 1.00 0.00 O ATOM 747 CB HIS A 45 -3.037 -2.641 -0.960 1.00 0.00 C ATOM 748 CG HIS A 45 -4.212 -3.554 -0.781 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.480 -3.100 -0.487 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.304 -4.902 -0.854 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.302 -4.129 -0.387 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.613 -5.234 -0.607 1.00 0.00 N ATOM 0 H HIS A 45 -0.639 -2.080 -0.815 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.960 -4.237 -1.912 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.541 -2.507 0.002 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.394 -1.660 -1.274 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.498 -5.589 -1.067 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.357 -4.076 -0.164 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.992 -6.181 -0.595 1.00 0.00 H new ATOM 760 N ARG A 46 -3.321 -3.605 -3.973 1.00 0.00 N ATOM 761 CA ARG A 46 -3.821 -3.363 -5.321 1.00 0.00 C ATOM 762 C ARG A 46 -4.583 -2.043 -5.390 1.00 0.00 C ATOM 763 O ARG A 46 -4.597 -1.374 -6.424 1.00 0.00 O ATOM 764 CB ARG A 46 -4.727 -4.512 -5.767 1.00 0.00 C ATOM 765 CG ARG A 46 -5.917 -4.739 -4.848 1.00 0.00 C ATOM 766 CD ARG A 46 -7.103 -5.318 -5.605 1.00 0.00 C ATOM 767 NE ARG A 46 -8.140 -5.810 -4.703 1.00 0.00 N ATOM 768 CZ ARG A 46 -8.032 -6.933 -4.002 1.00 0.00 C ATOM 769 NH1 ARG A 46 -6.937 -7.675 -4.097 1.00 0.00 N ATOM 770 NH2 ARG A 46 -9.019 -7.315 -3.203 1.00 0.00 N ATOM 0 H ARG A 46 -3.687 -4.449 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.965 -3.304 -5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.090 -4.308 -6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.139 -5.428 -5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.632 -5.416 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.205 -3.796 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.524 -4.554 -6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.762 -6.132 -6.244 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.994 -5.261 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.175 -7.384 -4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.857 -8.537 -3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.862 -6.746 -3.126 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.935 -8.178 -2.665 1.00 0.00 H new ATOM 784 N THR A 47 -5.218 -1.674 -4.282 1.00 0.00 N ATOM 785 CA THR A 47 -5.983 -0.436 -4.216 1.00 0.00 C ATOM 786 C THR A 47 -5.078 0.780 -4.380 1.00 0.00 C ATOM 787 O THR A 47 -5.513 1.830 -4.856 1.00 0.00 O ATOM 788 CB THR A 47 -6.746 -0.317 -2.884 1.00 0.00 C ATOM 789 OG1 THR A 47 -5.822 -0.138 -1.804 1.00 0.00 O ATOM 790 CG2 THR A 47 -7.594 -1.555 -2.633 1.00 0.00 C ATOM 0 H THR A 47 -5.217 -2.216 -3.418 1.00 0.00 H new ATOM 0 HA THR A 47 -6.700 -0.465 -5.036 1.00 0.00 H new ATOM 0 HB THR A 47 -7.405 0.549 -2.945 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.671 -0.997 -1.357 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.123 -1.448 -1.686 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.316 -1.672 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.951 -2.434 -2.591 1.00 0.00 H new ATOM 798 N HIS A 48 -3.818 0.632 -3.985 1.00 0.00 N ATOM 799 CA HIS A 48 -2.850 1.718 -4.090 1.00 0.00 C ATOM 800 C HIS A 48 -2.036 1.598 -5.375 1.00 0.00 C ATOM 801 O HIS A 48 -1.482 2.582 -5.864 1.00 0.00 O ATOM 802 CB HIS A 48 -1.918 1.718 -2.879 1.00 0.00 C ATOM 803 CG HIS A 48 -2.582 2.159 -1.611 1.00 0.00 C ATOM 804 ND1 HIS A 48 -2.676 3.481 -1.232 1.00 0.00 N ATOM 805 CD2 HIS A 48 -3.188 1.444 -0.635 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.310 3.560 -0.076 1.00 0.00 C ATOM 807 NE2 HIS A 48 -3.632 2.338 0.308 1.00 0.00 N ATOM 0 H HIS A 48 -3.443 -0.230 -3.589 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.399 2.660 -4.116 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.518 0.714 -2.739 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.071 2.373 -3.083 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.301 0.370 -0.604 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.528 4.470 0.464 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.129 2.098 1.165 1.00 0.00 H new ATOM 815 N MET A 49 -1.967 0.386 -5.915 1.00 0.00 N ATOM 816 CA MET A 49 -1.220 0.137 -7.143 1.00 0.00 C ATOM 817 C MET A 49 -1.608 1.139 -8.227 1.00 0.00 C ATOM 818 O MET A 49 -0.762 1.592 -8.998 1.00 0.00 O ATOM 819 CB MET A 49 -1.469 -1.289 -7.637 1.00 0.00 C ATOM 820 CG MET A 49 -0.583 -2.327 -6.967 1.00 0.00 C ATOM 821 SD MET A 49 -0.667 -3.937 -7.775 1.00 0.00 S ATOM 822 CE MET A 49 0.878 -3.943 -8.681 1.00 0.00 C ATOM 0 H MET A 49 -2.419 -0.439 -5.522 1.00 0.00 H new ATOM 0 HA MET A 49 -0.159 0.257 -6.924 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.513 -1.548 -7.463 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.307 -1.325 -8.714 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.449 -1.976 -6.972 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.879 -2.433 -5.923 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.237 -4.967 -8.781 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.721 -3.515 -9.671 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.618 -3.350 -8.143 1.00 0.00 H new ATOM 832 N SER A 50 -2.892 1.480 -8.279 1.00 0.00 N ATOM 833 CA SER A 50 -3.392 2.424 -9.271 1.00 0.00 C ATOM 834 C SER A 50 -4.637 3.142 -8.758 1.00 0.00 C ATOM 835 O SER A 50 -5.088 2.903 -7.639 1.00 0.00 O ATOM 836 CB SER A 50 -3.711 1.699 -10.580 1.00 0.00 C ATOM 837 OG SER A 50 -4.381 2.557 -11.488 1.00 0.00 O ATOM 0 H SER A 50 -3.604 1.117 -7.646 1.00 0.00 H new ATOM 0 HA SER A 50 -2.615 3.166 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.788 1.335 -11.032 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.331 0.826 -10.374 1.00 0.00 H new ATOM 0 HG SER A 50 -4.572 2.071 -12.317 1.00 0.00 H new ATOM 843 N SER A 51 -5.186 4.024 -9.587 1.00 0.00 N ATOM 844 CA SER A 51 -6.376 4.782 -9.217 1.00 0.00 C ATOM 845 C SER A 51 -7.591 4.304 -10.008 1.00 0.00 C ATOM 846 O SER A 51 -8.687 4.169 -9.460 1.00 0.00 O ATOM 847 CB SER A 51 -6.152 6.275 -9.458 1.00 0.00 C ATOM 848 OG SER A 51 -6.023 6.554 -10.842 1.00 0.00 O ATOM 0 H SER A 51 -4.826 4.231 -10.519 1.00 0.00 H new ATOM 0 HA SER A 51 -6.566 4.618 -8.156 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.986 6.842 -9.046 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.254 6.601 -8.933 1.00 0.00 H new ATOM 0 HG SER A 51 -5.882 7.515 -10.970 1.00 0.00 H new ATOM 854 N CYS A 52 -7.390 4.051 -11.295 1.00 0.00 N ATOM 855 CA CYS A 52 -8.468 3.589 -12.162 1.00 0.00 C ATOM 856 C CYS A 52 -8.891 2.171 -11.795 1.00 0.00 C ATOM 857 O CYS A 52 -8.408 1.602 -10.816 1.00 0.00 O ATOM 858 CB CYS A 52 -8.030 3.641 -13.627 1.00 0.00 C ATOM 859 SG CYS A 52 -8.362 5.221 -14.441 1.00 0.00 S ATOM 0 H CYS A 52 -6.490 4.158 -11.762 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.323 4.251 -12.022 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.962 3.433 -13.683 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -8.538 2.848 -14.175 1.00 0.00 H new ATOM 0 HG CYS A 52 -7.955 5.168 -15.674 1.00 0.00 H new ATOM 865 N ARG A 53 -9.798 1.606 -12.586 1.00 0.00 N ATOM 866 CA ARG A 53 -10.289 0.255 -12.342 1.00 0.00 C ATOM 867 C ARG A 53 -9.146 -0.755 -12.388 1.00 0.00 C ATOM 868 O ARG A 53 -8.637 -1.084 -13.459 1.00 0.00 O ATOM 869 CB ARG A 53 -11.354 -0.117 -13.375 1.00 0.00 C ATOM 870 CG ARG A 53 -12.339 -1.166 -12.883 1.00 0.00 C ATOM 871 CD ARG A 53 -13.473 -1.373 -13.875 1.00 0.00 C ATOM 872 NE ARG A 53 -14.523 -0.370 -13.722 1.00 0.00 N ATOM 873 CZ ARG A 53 -15.640 -0.361 -14.442 1.00 0.00 C ATOM 874 NH1 ARG A 53 -15.850 -1.295 -15.358 1.00 0.00 N ATOM 875 NH2 ARG A 53 -16.550 0.585 -14.245 1.00 0.00 N ATOM 0 H ARG A 53 -10.207 2.063 -13.401 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.733 0.230 -11.347 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.903 0.781 -13.658 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.862 -0.486 -14.275 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.818 -2.110 -12.723 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.748 -0.860 -11.920 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.078 -1.333 -14.890 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.898 -2.367 -13.737 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.392 0.363 -13.025 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.153 -2.024 -15.512 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.708 -1.285 -15.909 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.392 1.306 -13.541 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.407 0.591 -14.798 1.00 0.00 H new ATOM 889 N VAL A 54 -8.747 -1.242 -11.217 1.00 0.00 N ATOM 890 CA VAL A 54 -7.664 -2.215 -11.123 1.00 0.00 C ATOM 891 C VAL A 54 -8.199 -3.641 -11.198 1.00 0.00 C ATOM 892 O VAL A 54 -9.069 -4.031 -10.418 1.00 0.00 O ATOM 893 CB VAL A 54 -6.869 -2.046 -9.816 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.971 -3.249 -9.576 1.00 0.00 C ATOM 895 CG2 VAL A 54 -6.054 -0.761 -9.852 1.00 0.00 C ATOM 0 H VAL A 54 -9.157 -0.979 -10.321 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.001 -2.033 -11.969 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.575 -1.980 -8.988 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.417 -3.110 -8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.581 -4.150 -9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.270 -3.351 -10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.498 -0.657 -8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.357 -0.796 -10.689 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.723 0.091 -9.972 1.00 0.00 H new ATOM 905 N ASP A 55 -7.674 -4.416 -12.142 1.00 0.00 N ATOM 906 CA ASP A 55 -8.097 -5.800 -12.318 1.00 0.00 C ATOM 907 C ASP A 55 -6.904 -6.746 -12.246 1.00 0.00 C ATOM 908 O ASP A 55 -6.867 -7.655 -11.416 1.00 0.00 O ATOM 909 CB ASP A 55 -8.817 -5.968 -13.657 1.00 0.00 C ATOM 910 CG ASP A 55 -10.205 -5.358 -13.649 1.00 0.00 C ATOM 911 OD1 ASP A 55 -10.321 -4.147 -13.930 1.00 0.00 O ATOM 912 OD2 ASP A 55 -11.174 -6.090 -13.361 1.00 0.00 O ATOM 0 H ASP A 55 -6.955 -4.109 -12.797 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.785 -6.050 -11.510 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.224 -5.504 -14.446 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.891 -7.029 -13.896 1.00 0.00 H new ATOM 917 N LYS A 56 -5.928 -6.528 -13.120 1.00 0.00 N ATOM 918 CA LYS A 56 -4.731 -7.360 -13.156 1.00 0.00 C ATOM 919 C LYS A 56 -3.518 -6.591 -12.645 1.00 0.00 C ATOM 920 O LYS A 56 -2.806 -5.931 -13.403 1.00 0.00 O ATOM 921 CB LYS A 56 -4.471 -7.855 -14.581 1.00 0.00 C ATOM 922 CG LYS A 56 -5.144 -9.180 -14.896 1.00 0.00 C ATOM 923 CD LYS A 56 -6.657 -9.045 -14.925 1.00 0.00 C ATOM 924 CE LYS A 56 -7.327 -10.368 -15.267 1.00 0.00 C ATOM 925 NZ LYS A 56 -8.811 -10.279 -15.168 1.00 0.00 N ATOM 0 H LYS A 56 -5.942 -5.781 -13.814 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.896 -8.218 -12.504 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.820 -7.102 -15.288 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.396 -7.958 -14.731 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.792 -9.547 -15.860 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.858 -9.921 -14.149 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.011 -8.696 -13.955 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.942 -8.291 -15.658 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.047 -10.666 -16.277 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.964 -11.144 -14.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.231 -11.200 -15.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.079 -10.019 -14.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.160 -9.556 -15.829 1.00 0.00 H new ATOM 939 N PRO A 57 -3.272 -6.676 -11.329 1.00 0.00 N ATOM 940 CA PRO A 57 -2.143 -5.996 -10.688 1.00 0.00 C ATOM 941 C PRO A 57 -0.801 -6.608 -11.077 1.00 0.00 C ATOM 942 O PRO A 57 0.253 -6.025 -10.826 1.00 0.00 O ATOM 943 CB PRO A 57 -2.409 -6.197 -9.194 1.00 0.00 C ATOM 944 CG PRO A 57 -3.237 -7.434 -9.120 1.00 0.00 C ATOM 945 CD PRO A 57 -4.079 -7.445 -10.365 1.00 0.00 C ATOM 0 HA PRO A 57 -2.075 -4.950 -10.986 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.478 -6.310 -8.638 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.934 -5.343 -8.767 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.607 -8.322 -9.067 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.862 -7.432 -8.227 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.265 -8.460 -10.716 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.052 -6.983 -10.196 1.00 0.00 H new ATOM 953 N SER A 58 -0.849 -7.785 -11.691 1.00 0.00 N ATOM 954 CA SER A 58 0.364 -8.478 -12.112 1.00 0.00 C ATOM 955 C SER A 58 0.874 -7.923 -13.438 1.00 0.00 C ATOM 956 O SER A 58 2.027 -8.136 -13.810 1.00 0.00 O ATOM 957 CB SER A 58 0.101 -9.979 -12.242 1.00 0.00 C ATOM 958 OG SER A 58 0.351 -10.648 -11.018 1.00 0.00 O ATOM 0 H SER A 58 -1.714 -8.279 -11.908 1.00 0.00 H new ATOM 0 HA SER A 58 1.128 -8.315 -11.352 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.932 -10.145 -12.547 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.735 -10.396 -13.024 1.00 0.00 H new ATOM 0 HG SER A 58 0.174 -11.606 -11.127 1.00 0.00 H new ATOM 964 N GLU A 59 0.004 -7.209 -14.147 1.00 0.00 N ATOM 965 CA GLU A 59 0.365 -6.624 -15.433 1.00 0.00 C ATOM 966 C GLU A 59 0.794 -5.169 -15.267 1.00 0.00 C ATOM 967 O GLU A 59 1.315 -4.554 -16.199 1.00 0.00 O ATOM 968 CB GLU A 59 -0.810 -6.713 -16.409 1.00 0.00 C ATOM 969 CG GLU A 59 -1.330 -8.126 -16.606 1.00 0.00 C ATOM 970 CD GLU A 59 -0.566 -8.885 -17.674 1.00 0.00 C ATOM 971 OE1 GLU A 59 -0.861 -8.683 -18.871 1.00 0.00 O ATOM 972 OE2 GLU A 59 0.327 -9.680 -17.313 1.00 0.00 O ATOM 0 H GLU A 59 -0.955 -7.022 -13.852 1.00 0.00 H new ATOM 0 HA GLU A 59 1.205 -7.189 -15.837 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.622 -6.083 -16.046 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.502 -6.310 -17.374 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.264 -8.668 -15.663 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.385 -8.086 -16.878 1.00 0.00 H new ATOM 979 N ILE A 60 0.571 -4.624 -14.076 1.00 0.00 N ATOM 980 CA ILE A 60 0.935 -3.242 -13.787 1.00 0.00 C ATOM 981 C ILE A 60 2.416 -3.122 -13.447 1.00 0.00 C ATOM 982 O ILE A 60 3.054 -2.114 -13.748 1.00 0.00 O ATOM 983 CB ILE A 60 0.104 -2.674 -12.623 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.369 -3.060 -12.780 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.256 -1.162 -12.552 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.257 -2.519 -11.681 1.00 0.00 C ATOM 0 H ILE A 60 0.140 -5.118 -13.295 1.00 0.00 H new ATOM 0 HA ILE A 60 0.725 -2.665 -14.688 1.00 0.00 H new ATOM 0 HB ILE A 60 0.474 -3.102 -11.691 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.731 -2.695 -13.741 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.451 -4.147 -12.800 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.338 -0.775 -11.724 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.305 -0.909 -12.396 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.090 -0.717 -13.485 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.286 -2.832 -11.858 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.921 -2.904 -10.719 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.205 -1.430 -11.674 1.00 0.00 H new ATOM 998 N VAL A 61 2.958 -4.161 -12.818 1.00 0.00 N ATOM 999 CA VAL A 61 4.366 -4.174 -12.438 1.00 0.00 C ATOM 1000 C VAL A 61 4.981 -5.551 -12.655 1.00 0.00 C ATOM 1001 O VAL A 61 4.275 -6.521 -12.935 1.00 0.00 O ATOM 1002 CB VAL A 61 4.555 -3.765 -10.965 1.00 0.00 C ATOM 1003 CG1 VAL A 61 3.791 -2.485 -10.664 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.111 -4.890 -10.041 1.00 0.00 C ATOM 0 H VAL A 61 2.444 -5.004 -12.561 1.00 0.00 H new ATOM 0 HA VAL A 61 4.872 -3.449 -13.075 1.00 0.00 H new ATOM 0 HB VAL A 61 5.614 -3.577 -10.790 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.936 -2.212 -9.619 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.159 -1.683 -11.303 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.729 -2.642 -10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.251 -4.586 -9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.058 -5.110 -10.216 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.706 -5.781 -10.241 1.00 0.00 H new ATOM 1014 N ASP A 62 6.301 -5.632 -12.525 1.00 0.00 N ATOM 1015 CA ASP A 62 7.011 -6.892 -12.705 1.00 0.00 C ATOM 1016 C ASP A 62 8.387 -6.839 -12.047 1.00 0.00 C ATOM 1017 O ASP A 62 9.109 -5.850 -12.170 1.00 0.00 O ATOM 1018 CB ASP A 62 7.158 -7.211 -14.194 1.00 0.00 C ATOM 1019 CG ASP A 62 5.914 -6.859 -14.986 1.00 0.00 C ATOM 1020 OD1 ASP A 62 5.024 -7.725 -15.109 1.00 0.00 O ATOM 1021 OD2 ASP A 62 5.832 -5.716 -15.485 1.00 0.00 O ATOM 0 H ASP A 62 6.901 -4.839 -12.296 1.00 0.00 H new ATOM 0 HA ASP A 62 6.429 -7.680 -12.227 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.010 -6.663 -14.598 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.375 -8.272 -14.316 1.00 0.00 H new ATOM 1026 N VAL A 63 8.743 -7.910 -11.345 1.00 0.00 N ATOM 1027 CA VAL A 63 10.031 -7.986 -10.666 1.00 0.00 C ATOM 1028 C VAL A 63 11.146 -7.423 -11.540 1.00 0.00 C ATOM 1029 O VAL A 63 11.374 -7.892 -12.654 1.00 0.00 O ATOM 1030 CB VAL A 63 10.378 -9.437 -10.282 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.757 -9.505 -9.642 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.320 -10.010 -9.352 1.00 0.00 C ATOM 0 H VAL A 63 8.157 -8.737 -11.232 1.00 0.00 H new ATOM 0 HA VAL A 63 9.947 -7.388 -9.759 1.00 0.00 H new ATOM 0 HB VAL A 63 10.395 -10.040 -11.190 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.985 -10.538 -9.377 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.503 -9.138 -10.346 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.772 -8.888 -8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.582 -11.036 -9.091 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.268 -9.407 -8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.351 -9.999 -9.852 1.00 0.00 H new ATOM 1042 N GLY A 64 11.840 -6.412 -11.025 1.00 0.00 N ATOM 1043 CA GLY A 64 12.924 -5.800 -11.771 1.00 0.00 C ATOM 1044 C GLY A 64 12.631 -4.359 -12.143 1.00 0.00 C ATOM 1045 O GLY A 64 13.548 -3.580 -12.402 1.00 0.00 O ATOM 0 H GLY A 64 11.671 -6.006 -10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.837 -5.840 -11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.107 -6.376 -12.678 1.00 0.00 H new ATOM 1049 N ASP A 65 11.351 -4.006 -12.172 1.00 0.00 N ATOM 1050 CA ASP A 65 10.940 -2.650 -12.516 1.00 0.00 C ATOM 1051 C ASP A 65 11.002 -1.737 -11.295 1.00 0.00 C ATOM 1052 O ASP A 65 10.423 -2.038 -10.252 1.00 0.00 O ATOM 1053 CB ASP A 65 9.524 -2.655 -13.093 1.00 0.00 C ATOM 1054 CG ASP A 65 9.462 -3.282 -14.472 1.00 0.00 C ATOM 1055 OD1 ASP A 65 9.980 -4.407 -14.635 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.896 -2.648 -15.387 1.00 0.00 O ATOM 0 H ASP A 65 10.580 -4.640 -11.961 1.00 0.00 H new ATOM 0 HA ASP A 65 11.629 -2.267 -13.269 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.862 -3.200 -12.419 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.153 -1.632 -13.146 1.00 0.00 H new ATOM 1061 N LYS A 66 11.711 -0.622 -11.433 1.00 0.00 N ATOM 1062 CA LYS A 66 11.850 0.336 -10.342 1.00 0.00 C ATOM 1063 C LYS A 66 10.785 1.424 -10.435 1.00 0.00 C ATOM 1064 O LYS A 66 10.568 2.005 -11.498 1.00 0.00 O ATOM 1065 CB LYS A 66 13.244 0.968 -10.365 1.00 0.00 C ATOM 1066 CG LYS A 66 13.360 2.217 -9.509 1.00 0.00 C ATOM 1067 CD LYS A 66 14.809 2.536 -9.181 1.00 0.00 C ATOM 1068 CE LYS A 66 15.613 2.828 -10.439 1.00 0.00 C ATOM 1069 NZ LYS A 66 15.562 4.271 -10.806 1.00 0.00 N ATOM 0 H LYS A 66 12.198 -0.359 -12.290 1.00 0.00 H new ATOM 0 HA LYS A 66 11.716 -0.199 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.972 0.233 -10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.504 1.217 -11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.910 3.061 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.799 2.079 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.851 3.396 -8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.256 1.697 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.650 2.529 -10.285 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.227 2.229 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.350 4.494 -11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.660 4.477 -11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.641 4.851 -9.946 1.00 0.00 H new ATOM 1083 N VAL A 67 10.125 1.698 -9.314 1.00 0.00 N ATOM 1084 CA VAL A 67 9.085 2.718 -9.268 1.00 0.00 C ATOM 1085 C VAL A 67 9.147 3.508 -7.966 1.00 0.00 C ATOM 1086 O VAL A 67 9.861 3.135 -7.035 1.00 0.00 O ATOM 1087 CB VAL A 67 7.683 2.098 -9.413 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.543 1.404 -10.759 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.409 1.128 -8.273 1.00 0.00 C ATOM 0 H VAL A 67 10.293 1.227 -8.425 1.00 0.00 H new ATOM 0 HA VAL A 67 9.265 3.391 -10.107 1.00 0.00 H new ATOM 0 HB VAL A 67 6.944 2.898 -9.365 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.546 0.972 -10.844 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.694 2.129 -11.559 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.289 0.614 -10.840 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.414 0.699 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.152 0.330 -8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.465 1.659 -7.322 1.00 0.00 H new ATOM 1099 N TRP A 68 8.393 4.600 -7.907 1.00 0.00 N ATOM 1100 CA TRP A 68 8.362 5.443 -6.716 1.00 0.00 C ATOM 1101 C TRP A 68 7.142 5.127 -5.857 1.00 0.00 C ATOM 1102 O TRP A 68 6.052 4.884 -6.376 1.00 0.00 O ATOM 1103 CB TRP A 68 8.353 6.920 -7.113 1.00 0.00 C ATOM 1104 CG TRP A 68 9.655 7.387 -7.689 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.986 7.460 -9.012 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.800 7.846 -6.962 1.00 0.00 C ATOM 1107 NE1 TRP A 68 11.268 7.935 -9.151 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.789 8.180 -7.908 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.085 8.008 -5.604 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 13.040 8.665 -7.537 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.327 8.488 -5.236 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.292 8.814 -6.200 1.00 0.00 C ATOM 0 H TRP A 68 7.796 4.923 -8.668 1.00 0.00 H new ATOM 0 HA TRP A 68 9.258 5.236 -6.131 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.560 7.088 -7.842 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.114 7.523 -6.237 1.00 0.00 H new ATOM 0 HD1 TRP A 68 9.336 7.185 -9.829 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.753 8.081 -10.036 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.347 7.762 -4.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.785 8.915 -8.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.559 8.614 -4.189 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.253 9.190 -5.881 1.00 0.00 H new ATOM 1123 N VAL A 69 7.332 5.133 -4.542 1.00 0.00 N ATOM 1124 CA VAL A 69 6.247 4.848 -3.611 1.00 0.00 C ATOM 1125 C VAL A 69 6.311 5.766 -2.396 1.00 0.00 C ATOM 1126 O VAL A 69 7.331 6.405 -2.139 1.00 0.00 O ATOM 1127 CB VAL A 69 6.282 3.383 -3.138 1.00 0.00 C ATOM 1128 CG1 VAL A 69 5.788 2.455 -4.236 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.688 3.001 -2.696 1.00 0.00 C ATOM 0 H VAL A 69 8.228 5.332 -4.097 1.00 0.00 H new ATOM 0 HA VAL A 69 5.315 5.025 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 69 5.615 3.279 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.820 1.424 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.763 2.717 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.426 2.558 -5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.696 1.963 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.377 3.120 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.999 3.646 -1.874 1.00 0.00 H new ATOM 1139 N LYS A 70 5.213 5.826 -1.648 1.00 0.00 N ATOM 1140 CA LYS A 70 5.143 6.664 -0.457 1.00 0.00 C ATOM 1141 C LYS A 70 4.540 5.895 0.714 1.00 0.00 C ATOM 1142 O LYS A 70 3.424 5.383 0.625 1.00 0.00 O ATOM 1143 CB LYS A 70 4.313 7.918 -0.739 1.00 0.00 C ATOM 1144 CG LYS A 70 4.106 8.796 0.482 1.00 0.00 C ATOM 1145 CD LYS A 70 2.872 9.673 0.337 1.00 0.00 C ATOM 1146 CE LYS A 70 1.594 8.867 0.510 1.00 0.00 C ATOM 1147 NZ LYS A 70 1.236 8.697 1.945 1.00 0.00 N ATOM 0 H LYS A 70 4.360 5.304 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 70 6.158 6.960 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.805 8.502 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.341 7.620 -1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.006 8.170 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.984 9.424 0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.903 10.472 1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.874 10.148 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.777 9.365 -0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.717 7.888 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.224 8.473 2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.796 7.921 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.438 9.578 2.460 1.00 0.00 H new ATOM 1161 N LEU A 71 5.284 5.818 1.812 1.00 0.00 N ATOM 1162 CA LEU A 71 4.823 5.112 3.002 1.00 0.00 C ATOM 1163 C LEU A 71 3.538 5.735 3.540 1.00 0.00 C ATOM 1164 O LEU A 71 3.451 6.951 3.713 1.00 0.00 O ATOM 1165 CB LEU A 71 5.904 5.133 4.083 1.00 0.00 C ATOM 1166 CG LEU A 71 5.762 4.094 5.196 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.256 2.735 4.724 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.518 4.537 6.440 1.00 0.00 C ATOM 0 H LEU A 71 6.210 6.236 1.903 1.00 0.00 H new ATOM 0 HA LEU A 71 4.616 4.078 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.872 4.991 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.915 6.124 4.538 1.00 0.00 H new ATOM 0 HG LEU A 71 4.706 4.005 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.147 2.009 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.669 2.413 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.306 2.808 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.405 3.785 7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.575 4.656 6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.116 5.488 6.791 1.00 0.00 H new ATOM 1180 N ILE A 72 2.544 4.893 3.804 1.00 0.00 N ATOM 1181 CA ILE A 72 1.266 5.361 4.325 1.00 0.00 C ATOM 1182 C ILE A 72 1.016 4.824 5.730 1.00 0.00 C ATOM 1183 O ILE A 72 0.268 5.416 6.508 1.00 0.00 O ATOM 1184 CB ILE A 72 0.098 4.941 3.412 1.00 0.00 C ATOM 1185 CG1 ILE A 72 -0.054 3.420 3.408 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.319 5.461 1.998 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.959 2.905 2.311 1.00 0.00 C ATOM 0 H ILE A 72 2.599 3.884 3.666 1.00 0.00 H new ATOM 0 HA ILE A 72 1.318 6.449 4.358 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.822 5.377 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.931 2.965 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.448 3.100 4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.514 5.157 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.383 6.549 2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.247 5.050 1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.020 1.818 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.955 3.331 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.555 3.194 1.341 1.00 0.00 H new ATOM 1199 N GLY A 73 1.648 3.699 6.049 1.00 0.00 N ATOM 1200 CA GLY A 73 1.483 3.101 7.362 1.00 0.00 C ATOM 1201 C GLY A 73 2.573 2.099 7.684 1.00 0.00 C ATOM 1202 O GLY A 73 2.623 1.017 7.097 1.00 0.00 O ATOM 0 H GLY A 73 2.271 3.191 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.481 3.886 8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.513 2.607 7.413 1.00 0.00 H new ATOM 1206 N ARG A 74 3.448 2.458 8.617 1.00 0.00 N ATOM 1207 CA ARG A 74 4.544 1.582 9.013 1.00 0.00 C ATOM 1208 C ARG A 74 4.364 1.102 10.450 1.00 0.00 C ATOM 1209 O ARG A 74 4.186 1.906 11.365 1.00 0.00 O ATOM 1210 CB ARG A 74 5.882 2.309 8.872 1.00 0.00 C ATOM 1211 CG ARG A 74 6.044 3.479 9.829 1.00 0.00 C ATOM 1212 CD ARG A 74 7.406 4.139 9.676 1.00 0.00 C ATOM 1213 NE ARG A 74 8.422 3.497 10.505 1.00 0.00 N ATOM 1214 CZ ARG A 74 8.495 3.644 11.824 1.00 0.00 C ATOM 1215 NH1 ARG A 74 7.616 4.407 12.459 1.00 0.00 N ATOM 1216 NH2 ARG A 74 9.449 3.028 12.509 1.00 0.00 N ATOM 0 H ARG A 74 3.420 3.349 9.113 1.00 0.00 H new ATOM 0 HA ARG A 74 4.538 0.714 8.354 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.691 1.598 9.040 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.983 2.671 7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.260 4.213 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.920 3.132 10.855 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.713 4.099 8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.331 5.192 9.946 1.00 0.00 H new ATOM 0 HE ARG A 74 9.113 2.903 10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.881 4.883 11.935 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.674 4.518 13.471 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.127 2.441 12.024 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.504 3.141 13.521 1.00 0.00 H new ATOM 1230 N GLU A 75 4.410 -0.213 10.640 1.00 0.00 N ATOM 1231 CA GLU A 75 4.250 -0.799 11.966 1.00 0.00 C ATOM 1232 C GLU A 75 5.259 -1.921 12.190 1.00 0.00 C ATOM 1233 O GLU A 75 5.323 -2.877 11.416 1.00 0.00 O ATOM 1234 CB GLU A 75 2.828 -1.335 12.142 1.00 0.00 C ATOM 1235 CG GLU A 75 1.811 -0.261 12.491 1.00 0.00 C ATOM 1236 CD GLU A 75 1.748 0.021 13.980 1.00 0.00 C ATOM 1237 OE1 GLU A 75 1.526 -0.934 14.754 1.00 0.00 O ATOM 1238 OE2 GLU A 75 1.919 1.195 14.371 1.00 0.00 O ATOM 0 H GLU A 75 4.557 -0.892 9.893 1.00 0.00 H new ATOM 0 HA GLU A 75 4.431 -0.018 12.705 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.519 -1.831 11.222 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.829 -2.092 12.927 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.062 0.658 11.961 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.826 -0.571 12.142 1.00 0.00 H new ATOM 1245 N MET A 76 6.047 -1.798 13.253 1.00 0.00 N ATOM 1246 CA MET A 76 7.053 -2.802 13.579 1.00 0.00 C ATOM 1247 C MET A 76 6.766 -3.437 14.936 1.00 0.00 C ATOM 1248 O MET A 76 6.835 -2.774 15.971 1.00 0.00 O ATOM 1249 CB MET A 76 8.448 -2.174 13.582 1.00 0.00 C ATOM 1250 CG MET A 76 9.533 -3.106 14.098 1.00 0.00 C ATOM 1251 SD MET A 76 10.947 -2.217 14.776 1.00 0.00 S ATOM 1252 CE MET A 76 11.431 -3.315 16.107 1.00 0.00 C ATOM 0 H MET A 76 6.008 -1.013 13.903 1.00 0.00 H new ATOM 0 HA MET A 76 7.014 -3.581 12.817 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.700 -1.863 12.568 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.431 -1.274 14.197 1.00 0.00 H new ATOM 0 HG2 MET A 76 9.114 -3.755 14.867 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.869 -3.751 13.286 1.00 0.00 H new ATOM 0 HE1 MET A 76 12.297 -2.901 16.624 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.605 -3.421 16.810 1.00 0.00 H new ATOM 0 HE3 MET A 76 11.686 -4.292 15.698 1.00 0.00 H new ATOM 1262 N LYS A 77 6.445 -4.726 14.925 1.00 0.00 N ATOM 1263 CA LYS A 77 6.149 -5.453 16.153 1.00 0.00 C ATOM 1264 C LYS A 77 7.190 -6.538 16.409 1.00 0.00 C ATOM 1265 O LYS A 77 7.655 -7.195 15.478 1.00 0.00 O ATOM 1266 CB LYS A 77 4.753 -6.077 16.078 1.00 0.00 C ATOM 1267 CG LYS A 77 4.101 -6.276 17.434 1.00 0.00 C ATOM 1268 CD LYS A 77 2.612 -6.549 17.302 1.00 0.00 C ATOM 1269 CE LYS A 77 1.832 -5.272 17.033 1.00 0.00 C ATOM 1270 NZ LYS A 77 1.606 -4.487 18.278 1.00 0.00 N ATOM 0 H LYS A 77 6.383 -5.290 14.077 1.00 0.00 H new ATOM 0 HA LYS A 77 6.179 -4.744 16.980 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.113 -5.441 15.466 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.822 -7.040 15.573 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.580 -7.108 17.950 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.256 -5.388 18.047 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.442 -7.258 16.492 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.244 -7.015 18.216 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.374 -4.661 16.312 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.872 -5.521 16.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.071 -3.624 18.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.067 -5.061 18.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.522 -4.227 18.695 1.00 0.00 H new ATOM 1284 N ASN A 78 7.549 -6.721 17.675 1.00 0.00 N ATOM 1285 CA ASN A 78 8.535 -7.728 18.052 1.00 0.00 C ATOM 1286 C ASN A 78 8.078 -9.121 17.629 1.00 0.00 C ATOM 1287 O ASN A 78 8.865 -10.068 17.625 1.00 0.00 O ATOM 1288 CB ASN A 78 8.776 -7.695 19.562 1.00 0.00 C ATOM 1289 CG ASN A 78 7.567 -8.157 20.351 1.00 0.00 C ATOM 1290 OD1 ASN A 78 7.138 -9.306 20.237 1.00 0.00 O ATOM 1291 ND2 ASN A 78 7.009 -7.261 21.158 1.00 0.00 N ATOM 0 H ASN A 78 7.172 -6.186 18.457 1.00 0.00 H new ATOM 0 HA ASN A 78 9.468 -7.499 17.537 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.629 -8.329 19.805 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.037 -6.681 19.863 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.192 -7.514 21.714 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.397 -6.320 21.222 1.00 0.00 H new ATOM 1298 N ASP A 79 6.804 -9.238 17.273 1.00 0.00 N ATOM 1299 CA ASP A 79 6.242 -10.514 16.847 1.00 0.00 C ATOM 1300 C ASP A 79 6.127 -10.577 15.328 1.00 0.00 C ATOM 1301 O ASP A 79 6.187 -11.654 14.734 1.00 0.00 O ATOM 1302 CB ASP A 79 4.869 -10.730 17.484 1.00 0.00 C ATOM 1303 CG ASP A 79 4.167 -11.961 16.947 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.867 -12.891 16.493 1.00 0.00 O ATOM 1305 OD2 ASP A 79 2.919 -11.995 16.977 1.00 0.00 O ATOM 0 H ASP A 79 6.140 -8.464 17.271 1.00 0.00 H new ATOM 0 HA ASP A 79 6.915 -11.306 17.176 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.984 -10.823 18.564 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.247 -9.853 17.304 1.00 0.00 H new ATOM 1310 N ARG A 80 5.959 -9.415 14.704 1.00 0.00 N ATOM 1311 CA ARG A 80 5.833 -9.339 13.253 1.00 0.00 C ATOM 1312 C ARG A 80 5.976 -7.897 12.771 1.00 0.00 C ATOM 1313 O ARG A 80 5.752 -6.954 13.530 1.00 0.00 O ATOM 1314 CB ARG A 80 4.485 -9.906 12.807 1.00 0.00 C ATOM 1315 CG ARG A 80 4.418 -11.423 12.852 1.00 0.00 C ATOM 1316 CD ARG A 80 3.361 -11.964 11.902 1.00 0.00 C ATOM 1317 NE ARG A 80 3.905 -12.231 10.573 1.00 0.00 N ATOM 1318 CZ ARG A 80 3.281 -12.964 9.657 1.00 0.00 C ATOM 1319 NH1 ARG A 80 2.098 -13.500 9.925 1.00 0.00 N ATOM 1320 NH2 ARG A 80 3.841 -13.162 8.471 1.00 0.00 N ATOM 0 H ARG A 80 5.907 -8.514 15.180 1.00 0.00 H new ATOM 0 HA ARG A 80 6.633 -9.933 12.811 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.700 -9.497 13.443 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.278 -9.572 11.790 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.391 -11.839 12.590 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.196 -11.748 13.868 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.940 -12.882 12.313 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.544 -11.247 11.822 1.00 0.00 H new ATOM 0 HE ARG A 80 4.814 -11.833 10.335 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.665 -13.350 10.836 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.621 -14.062 9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.751 -12.752 8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.362 -13.725 7.768 1.00 0.00 H new ATOM 1334 N ILE A 81 6.349 -7.737 11.505 1.00 0.00 N ATOM 1335 CA ILE A 81 6.520 -6.412 10.923 1.00 0.00 C ATOM 1336 C ILE A 81 5.717 -6.271 9.633 1.00 0.00 C ATOM 1337 O ILE A 81 5.801 -7.115 8.742 1.00 0.00 O ATOM 1338 CB ILE A 81 8.003 -6.114 10.626 1.00 0.00 C ATOM 1339 CG1 ILE A 81 8.834 -6.237 11.905 1.00 0.00 C ATOM 1340 CG2 ILE A 81 8.153 -4.727 10.020 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.325 -6.143 11.665 1.00 0.00 C ATOM 0 H ILE A 81 6.538 -8.508 10.864 1.00 0.00 H new ATOM 0 HA ILE A 81 6.154 -5.695 11.658 1.00 0.00 H new ATOM 0 HB ILE A 81 8.370 -6.844 9.905 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.535 -5.452 12.600 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.610 -7.190 12.385 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.206 -4.531 9.816 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.587 -4.673 9.090 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.774 -3.982 10.719 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.853 -6.238 12.614 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.637 -6.944 10.994 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.561 -5.179 11.214 1.00 0.00 H new ATOM 1353 N LYS A 82 4.941 -5.196 9.542 1.00 0.00 N ATOM 1354 CA LYS A 82 4.125 -4.941 8.361 1.00 0.00 C ATOM 1355 C LYS A 82 4.316 -3.510 7.866 1.00 0.00 C ATOM 1356 O LYS A 82 4.210 -2.556 8.637 1.00 0.00 O ATOM 1357 CB LYS A 82 2.647 -5.189 8.673 1.00 0.00 C ATOM 1358 CG LYS A 82 2.211 -6.626 8.447 1.00 0.00 C ATOM 1359 CD LYS A 82 2.121 -6.955 6.966 1.00 0.00 C ATOM 1360 CE LYS A 82 2.344 -8.438 6.710 1.00 0.00 C ATOM 1361 NZ LYS A 82 2.466 -8.737 5.256 1.00 0.00 N ATOM 0 H LYS A 82 4.860 -4.488 10.272 1.00 0.00 H new ATOM 0 HA LYS A 82 4.445 -5.625 7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.453 -4.918 9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.038 -4.531 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.918 -7.302 8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.242 -6.791 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.142 -6.662 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.863 -6.374 6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.248 -8.764 7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.515 -9.008 7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.617 -9.757 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.594 -8.450 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.273 -8.213 4.860 1.00 0.00 H new ATOM 1375 N VAL A 83 4.600 -3.369 6.575 1.00 0.00 N ATOM 1376 CA VAL A 83 4.804 -2.055 5.977 1.00 0.00 C ATOM 1377 C VAL A 83 3.906 -1.860 4.762 1.00 0.00 C ATOM 1378 O VAL A 83 3.868 -2.699 3.862 1.00 0.00 O ATOM 1379 CB VAL A 83 6.272 -1.852 5.555 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.469 -0.469 4.957 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.201 -2.068 6.740 1.00 0.00 C ATOM 0 H VAL A 83 4.694 -4.148 5.924 1.00 0.00 H new ATOM 0 HA VAL A 83 4.547 -1.317 6.737 1.00 0.00 H new ATOM 0 HB VAL A 83 6.518 -2.589 4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.512 -0.344 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.831 -0.357 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.206 0.288 5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.234 -1.921 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.957 -1.355 7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.078 -3.083 7.118 1.00 0.00 H new ATOM 1391 N SER A 84 3.182 -0.744 4.740 1.00 0.00 N ATOM 1392 CA SER A 84 2.280 -0.438 3.636 1.00 0.00 C ATOM 1393 C SER A 84 2.798 0.745 2.823 1.00 0.00 C ATOM 1394 O SER A 84 3.128 1.796 3.376 1.00 0.00 O ATOM 1395 CB SER A 84 0.877 -0.135 4.165 1.00 0.00 C ATOM 1396 OG SER A 84 0.115 -1.321 4.298 1.00 0.00 O ATOM 0 H SER A 84 3.203 -0.037 5.475 1.00 0.00 H new ATOM 0 HA SER A 84 2.233 -1.310 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.949 0.365 5.131 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.370 0.552 3.488 1.00 0.00 H new ATOM 0 HG SER A 84 -0.777 -1.100 4.639 1.00 0.00 H new ATOM 1402 N LEU A 85 2.865 0.568 1.509 1.00 0.00 N ATOM 1403 CA LEU A 85 3.342 1.620 0.618 1.00 0.00 C ATOM 1404 C LEU A 85 2.315 1.920 -0.469 1.00 0.00 C ATOM 1405 O LEU A 85 1.500 1.066 -0.819 1.00 0.00 O ATOM 1406 CB LEU A 85 4.671 1.213 -0.019 1.00 0.00 C ATOM 1407 CG LEU A 85 5.732 0.662 0.935 1.00 0.00 C ATOM 1408 CD1 LEU A 85 6.974 0.238 0.167 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.085 1.696 1.994 1.00 0.00 C ATOM 0 H LEU A 85 2.595 -0.294 1.036 1.00 0.00 H new ATOM 0 HA LEU A 85 3.492 2.523 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.470 0.460 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.087 2.081 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 85 5.322 -0.216 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.717 -0.151 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.710 -0.537 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.387 1.098 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.841 1.287 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.474 2.593 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.193 1.950 2.566 1.00 0.00 H new ATOM 1421 N SER A 86 2.363 3.137 -1.001 1.00 0.00 N ATOM 1422 CA SER A 86 1.436 3.550 -2.048 1.00 0.00 C ATOM 1423 C SER A 86 2.181 3.863 -3.341 1.00 0.00 C ATOM 1424 O SER A 86 3.342 4.271 -3.319 1.00 0.00 O ATOM 1425 CB SER A 86 0.637 4.775 -1.597 1.00 0.00 C ATOM 1426 OG SER A 86 -0.439 5.036 -2.482 1.00 0.00 O ATOM 0 H SER A 86 3.034 3.854 -0.724 1.00 0.00 H new ATOM 0 HA SER A 86 0.748 2.725 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.253 4.612 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.293 5.644 -1.551 1.00 0.00 H new ATOM 0 HG SER A 86 -1.241 4.568 -2.169 1.00 0.00 H new ATOM 1432 N MET A 87 1.505 3.669 -4.469 1.00 0.00 N ATOM 1433 CA MET A 87 2.102 3.932 -5.773 1.00 0.00 C ATOM 1434 C MET A 87 1.276 4.949 -6.554 1.00 0.00 C ATOM 1435 O MET A 87 1.820 5.769 -7.294 1.00 0.00 O ATOM 1436 CB MET A 87 2.225 2.634 -6.574 1.00 0.00 C ATOM 1437 CG MET A 87 3.480 1.839 -6.252 1.00 0.00 C ATOM 1438 SD MET A 87 3.476 0.202 -7.009 1.00 0.00 S ATOM 1439 CE MET A 87 3.717 0.625 -8.732 1.00 0.00 C ATOM 0 H MET A 87 0.543 3.331 -4.506 1.00 0.00 H new ATOM 0 HA MET A 87 3.097 4.346 -5.612 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.351 2.012 -6.380 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.218 2.871 -7.638 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.354 2.392 -6.595 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.573 1.735 -5.171 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.465 -0.037 -9.168 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.775 0.512 -9.269 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.057 1.658 -8.809 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.040 4.890 -6.386 1.00 0.00 N ATOM 1450 CA LYS A 88 -0.943 5.806 -7.075 1.00 0.00 C ATOM 1451 C LYS A 88 -0.755 7.234 -6.572 1.00 0.00 C ATOM 1452 O LYS A 88 -1.105 8.194 -7.258 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.396 5.369 -6.875 1.00 0.00 C ATOM 1454 CG LYS A 88 -2.819 5.312 -5.417 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.253 4.835 -5.271 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.722 4.907 -3.826 1.00 0.00 C ATOM 1457 NZ LYS A 88 -6.073 4.309 -3.649 1.00 0.00 N ATOM 0 H LYS A 88 -0.506 4.217 -5.778 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.706 5.780 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.051 6.059 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.536 4.386 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.155 4.643 -4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.716 6.300 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.905 5.444 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.334 3.809 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.009 4.387 -3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.741 5.948 -3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.306 4.270 -2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.778 4.891 -4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.081 3.346 -4.043 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.202 7.366 -5.371 1.00 0.00 N ATOM 1472 CA VAL A 89 0.034 8.677 -4.778 1.00 0.00 C ATOM 1473 C VAL A 89 1.492 9.096 -4.931 1.00 0.00 C ATOM 1474 O VAL A 89 2.010 9.882 -4.138 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.338 8.692 -3.284 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.810 8.353 -3.095 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.543 7.725 -2.505 1.00 0.00 C ATOM 0 H VAL A 89 0.091 6.581 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.602 9.384 -5.311 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.168 9.697 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.053 8.369 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.423 9.087 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.009 7.360 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.266 7.749 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.407 6.716 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.588 8.017 -2.612 1.00 0.00 H new ATOM 1487 N VAL A 90 2.148 8.566 -5.958 1.00 0.00 N ATOM 1488 CA VAL A 90 3.547 8.886 -6.218 1.00 0.00 C ATOM 1489 C VAL A 90 3.850 8.852 -7.712 1.00 0.00 C ATOM 1490 O VAL A 90 3.520 7.887 -8.400 1.00 0.00 O ATOM 1491 CB VAL A 90 4.490 7.909 -5.491 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.936 8.365 -5.623 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.096 7.778 -4.028 1.00 0.00 C ATOM 0 H VAL A 90 1.734 7.913 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 90 3.718 9.894 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 90 4.399 6.928 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.588 7.663 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.211 8.403 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.047 9.356 -5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.773 7.084 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.157 8.754 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.075 7.402 -3.958 1.00 0.00 H new ATOM 1503 N ASN A 91 4.483 9.911 -8.206 1.00 0.00 N ATOM 1504 CA ASN A 91 4.831 10.003 -9.619 1.00 0.00 C ATOM 1505 C ASN A 91 5.886 8.964 -9.987 1.00 0.00 C ATOM 1506 O ASN A 91 6.893 8.816 -9.296 1.00 0.00 O ATOM 1507 CB ASN A 91 5.344 11.406 -9.949 1.00 0.00 C ATOM 1508 CG ASN A 91 5.223 11.733 -11.425 1.00 0.00 C ATOM 1509 OD1 ASN A 91 4.166 11.546 -12.029 1.00 0.00 O ATOM 1510 ND2 ASN A 91 6.306 12.224 -12.013 1.00 0.00 N ATOM 0 H ASN A 91 4.765 10.717 -7.649 1.00 0.00 H new ATOM 0 HA ASN A 91 3.932 9.806 -10.203 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.784 12.140 -9.370 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.388 11.489 -9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.284 12.463 -13.004 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.161 12.363 -11.474 1.00 0.00 H new ATOM 1517 N GLN A 92 5.646 8.247 -11.082 1.00 0.00 N ATOM 1518 CA GLN A 92 6.576 7.222 -11.541 1.00 0.00 C ATOM 1519 C GLN A 92 7.525 7.781 -12.596 1.00 0.00 C ATOM 1520 O GLN A 92 7.787 7.141 -13.613 1.00 0.00 O ATOM 1521 CB GLN A 92 5.809 6.027 -12.111 1.00 0.00 C ATOM 1522 CG GLN A 92 4.632 5.594 -11.251 1.00 0.00 C ATOM 1523 CD GLN A 92 5.045 5.227 -9.839 1.00 0.00 C ATOM 1524 OE1 GLN A 92 6.231 5.213 -9.510 1.00 0.00 O ATOM 1525 NE2 GLN A 92 4.065 4.928 -8.994 1.00 0.00 N ATOM 0 H GLN A 92 4.817 8.357 -11.666 1.00 0.00 H new ATOM 0 HA GLN A 92 7.166 6.893 -10.686 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.447 6.280 -13.107 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.494 5.187 -12.225 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.899 6.400 -11.213 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.142 4.739 -11.716 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.095 4.952 -9.309 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.282 4.674 -8.030 1.00 0.00 H new ATOM 1534 N GLY A 93 8.038 8.982 -12.347 1.00 0.00 N ATOM 1535 CA GLY A 93 8.952 9.608 -13.284 1.00 0.00 C ATOM 1536 C GLY A 93 9.917 10.561 -12.605 1.00 0.00 C ATOM 1537 O GLY A 93 11.069 10.691 -13.020 1.00 0.00 O ATOM 0 H GLY A 93 7.837 9.533 -11.512 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.516 8.836 -13.807 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.380 10.150 -14.037 1.00 0.00 H new ATOM 1541 N THR A 94 9.445 11.231 -11.558 1.00 0.00 N ATOM 1542 CA THR A 94 10.273 12.179 -10.822 1.00 0.00 C ATOM 1543 C THR A 94 10.300 11.846 -9.334 1.00 0.00 C ATOM 1544 O THR A 94 11.246 12.193 -8.628 1.00 0.00 O ATOM 1545 CB THR A 94 9.770 13.623 -11.004 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.433 13.743 -10.506 1.00 0.00 O ATOM 1547 CG2 THR A 94 9.809 14.029 -12.470 1.00 0.00 C ATOM 0 H THR A 94 8.494 11.135 -11.201 1.00 0.00 H new ATOM 0 HA THR A 94 11.282 12.099 -11.228 1.00 0.00 H new ATOM 0 HB THR A 94 10.427 14.286 -10.442 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.121 14.665 -10.624 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.449 15.053 -12.574 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.833 13.965 -12.838 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.173 13.360 -13.050 1.00 0.00 H new ATOM 1555 N GLY A 95 9.256 11.169 -8.865 1.00 0.00 N ATOM 1556 CA GLY A 95 9.181 10.800 -7.464 1.00 0.00 C ATOM 1557 C GLY A 95 8.680 11.933 -6.592 1.00 0.00 C ATOM 1558 O GLY A 95 9.069 12.052 -5.429 1.00 0.00 O ATOM 0 H GLY A 95 8.461 10.870 -9.430 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.520 9.941 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.168 10.490 -7.120 1.00 0.00 H new ATOM 1562 N LYS A 96 7.815 12.771 -7.152 1.00 0.00 N ATOM 1563 CA LYS A 96 7.259 13.903 -6.419 1.00 0.00 C ATOM 1564 C LYS A 96 5.899 13.551 -5.826 1.00 0.00 C ATOM 1565 O LYS A 96 5.062 12.938 -6.488 1.00 0.00 O ATOM 1566 CB LYS A 96 7.128 15.118 -7.340 1.00 0.00 C ATOM 1567 CG LYS A 96 7.097 16.443 -6.598 1.00 0.00 C ATOM 1568 CD LYS A 96 8.496 16.993 -6.378 1.00 0.00 C ATOM 1569 CE LYS A 96 8.983 17.775 -7.589 1.00 0.00 C ATOM 1570 NZ LYS A 96 10.447 18.039 -7.524 1.00 0.00 N ATOM 0 H LYS A 96 7.483 12.688 -8.113 1.00 0.00 H new ATOM 0 HA LYS A 96 7.939 14.146 -5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.962 15.123 -8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.217 15.020 -7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.507 17.164 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.602 16.311 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.500 17.639 -5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.183 16.172 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.754 17.218 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.445 18.721 -7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.741 18.574 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.662 18.592 -6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.961 17.136 -7.490 1.00 0.00 H new ATOM 1584 N ASP A 97 5.686 13.945 -4.575 1.00 0.00 N ATOM 1585 CA ASP A 97 4.426 13.673 -3.893 1.00 0.00 C ATOM 1586 C ASP A 97 3.246 14.214 -4.695 1.00 0.00 C ATOM 1587 O ASP A 97 3.152 15.417 -4.947 1.00 0.00 O ATOM 1588 CB ASP A 97 4.435 14.292 -2.494 1.00 0.00 C ATOM 1589 CG ASP A 97 3.314 13.763 -1.621 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.444 13.037 -2.145 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.308 14.075 -0.411 1.00 0.00 O ATOM 0 H ASP A 97 6.369 14.453 -4.013 1.00 0.00 H new ATOM 0 HA ASP A 97 4.316 12.592 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.392 14.087 -2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.346 15.375 -2.578 1.00 0.00 H new ATOM 1596 N LEU A 98 2.349 13.320 -5.094 1.00 0.00 N ATOM 1597 CA LEU A 98 1.174 13.708 -5.869 1.00 0.00 C ATOM 1598 C LEU A 98 0.002 14.041 -4.952 1.00 0.00 C ATOM 1599 O LEU A 98 -0.810 14.914 -5.258 1.00 0.00 O ATOM 1600 CB LEU A 98 0.782 12.585 -6.831 1.00 0.00 C ATOM 1601 CG LEU A 98 1.820 12.214 -7.890 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.422 10.930 -8.601 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.992 13.349 -8.889 1.00 0.00 C ATOM 0 H LEU A 98 2.412 12.322 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 98 1.425 14.600 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.556 11.694 -6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.138 12.874 -7.339 1.00 0.00 H new ATOM 0 HG LEU A 98 2.775 12.048 -7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.173 10.682 -9.351 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.352 10.119 -7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.456 11.067 -9.086 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.735 13.067 -9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.040 13.548 -9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.325 14.246 -8.367 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.078 13.341 -3.825 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.148 13.565 -2.861 1.00 0.00 C ATOM 1617 C ASP A 99 -0.581 13.936 -1.495 1.00 0.00 C ATOM 1618 O ASP A 99 -0.496 13.112 -0.584 1.00 0.00 O ATOM 1619 CB ASP A 99 -2.024 12.318 -2.741 1.00 0.00 C ATOM 1620 CG ASP A 99 -2.979 12.166 -3.909 1.00 0.00 C ATOM 1621 OD1 ASP A 99 -4.047 12.813 -3.889 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -2.660 11.400 -4.841 1.00 0.00 O ATOM 0 H ASP A 99 0.586 12.614 -3.557 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.757 14.395 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.388 11.435 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.594 12.366 -1.813 1.00 0.00 H new ATOM 1627 N PRO A 100 -0.180 15.208 -1.345 1.00 0.00 N ATOM 1628 CA PRO A 100 0.387 15.718 -0.093 1.00 0.00 C ATOM 1629 C PRO A 100 -0.652 15.812 1.018 1.00 0.00 C ATOM 1630 O PRO A 100 -0.309 15.971 2.188 1.00 0.00 O ATOM 1631 CB PRO A 100 0.891 17.113 -0.474 1.00 0.00 C ATOM 1632 CG PRO A 100 0.050 17.514 -1.637 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.252 16.247 -2.387 1.00 0.00 C ATOM 0 HA PRO A 100 1.164 15.062 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.782 17.813 0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.948 17.094 -0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.868 17.999 -1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.576 18.227 -2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.237 16.281 -2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.471 16.069 -3.183 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.923 15.712 0.643 1.00 0.00 N ATOM 1642 CA ASN A 101 -3.013 15.786 1.609 1.00 0.00 C ATOM 1643 C ASN A 101 -3.114 14.494 2.416 1.00 0.00 C ATOM 1644 O ASN A 101 -3.383 14.519 3.616 1.00 0.00 O ATOM 1645 CB ASN A 101 -4.339 16.059 0.896 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.185 17.034 -0.256 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -3.505 16.747 -1.241 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -4.817 18.195 -0.136 1.00 0.00 N ATOM 0 H ASN A 101 -2.224 15.580 -0.323 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.801 16.607 2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.747 15.120 0.522 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.058 16.457 1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.750 18.891 -0.878 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.370 18.391 0.698 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.896 13.367 1.747 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.962 12.064 2.400 1.00 0.00 C ATOM 1657 C ASN A 102 -4.364 11.796 2.937 1.00 0.00 C ATOM 1658 O ASN A 102 -4.534 11.411 4.094 1.00 0.00 O ATOM 1659 CB ASN A 102 -1.944 11.992 3.541 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.653 12.714 3.210 1.00 0.00 C ATOM 1661 OD1 ASN A 102 -0.490 13.914 3.757 1.00 0.00 O flip ATOM 1662 ND2 ASN A 102 0.188 12.200 2.472 1.00 0.00 N flip ATOM 0 H ASN A 102 -2.672 13.329 0.753 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.724 11.300 1.660 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.380 12.426 4.441 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.726 10.948 3.764 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.021 11.276 2.074 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.052 12.698 2.259 1.00 0.00 H new ATOM 1669 N VAL A 103 -5.367 12.003 2.090 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.755 11.781 2.477 1.00 0.00 C ATOM 1671 C VAL A 103 -7.292 10.485 1.883 1.00 0.00 C ATOM 1672 O VAL A 103 -8.092 9.788 2.508 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.655 12.949 2.030 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -9.111 12.657 2.361 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -7.203 14.249 2.679 1.00 0.00 C ATOM 0 H VAL A 103 -5.244 12.325 1.130 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.773 11.712 3.565 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.567 13.060 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.732 13.493 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -9.426 11.750 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.219 12.519 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.850 15.063 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -7.260 14.153 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.175 14.463 2.387 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.845 10.165 0.674 1.00 0.00 N ATOM 1686 CA ILE A 104 -7.279 8.950 -0.005 1.00 0.00 C ATOM 1687 C ILE A 104 -6.870 7.707 0.779 1.00 0.00 C ATOM 1688 O ILE A 104 -7.687 6.817 1.021 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.697 8.860 -1.427 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -7.135 10.067 -2.259 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -7.129 7.564 -2.096 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -6.203 11.252 -2.143 1.00 0.00 C ATOM 0 H ILE A 104 -6.182 10.730 0.144 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.366 8.996 -0.069 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.609 8.865 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.204 9.771 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.135 10.370 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.709 7.516 -3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.771 6.716 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.217 7.530 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.576 12.070 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.153 11.575 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.207 10.967 -2.483 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.603 7.654 1.175 1.00 0.00 N ATOM 1705 CA ILE A 105 -5.088 6.521 1.935 1.00 0.00 C ATOM 1706 C ILE A 105 -5.946 6.249 3.165 1.00 0.00 C ATOM 1707 O ILE A 105 -5.937 5.144 3.706 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.632 6.759 2.380 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -3.566 7.901 3.395 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.753 7.060 1.175 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.751 7.450 4.826 1.00 0.00 C ATOM 0 H ILE A 105 -4.914 8.381 0.983 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.121 5.655 1.274 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.260 5.853 2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.603 8.403 3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.333 8.636 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.728 7.226 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.780 6.217 0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.121 7.953 0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.692 8.313 5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.726 6.974 4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.969 6.737 5.087 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.686 7.264 3.600 1.00 0.00 N ATOM 1724 CA GLU A 106 -7.551 7.132 4.768 1.00 0.00 C ATOM 1725 C GLU A 106 -8.895 6.521 4.382 1.00 0.00 C ATOM 1726 O GLU A 106 -9.826 7.231 4.003 1.00 0.00 O ATOM 1727 CB GLU A 106 -7.768 8.496 5.426 1.00 0.00 C ATOM 1728 CG GLU A 106 -8.686 8.448 6.636 1.00 0.00 C ATOM 1729 CD GLU A 106 -8.550 9.673 7.520 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -8.922 10.776 7.068 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -8.071 9.528 8.664 1.00 0.00 O ATOM 0 H GLU A 106 -6.704 8.185 3.163 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.060 6.468 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.803 8.902 5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.186 9.183 4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.719 8.360 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -8.464 7.556 7.221 1.00 0.00 H new