USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 510 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 74 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 1.2: A 78 THR OG1 : rot -71:sc= 1.17 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 67:sc= 1.43 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.999 F(o=-5.3!,f=-1) USER MOD Single : A 34 ASN :FLIP amide:sc= -3.92! C(o=-6.4!,f=-3.9!) USER MOD Single : A 37 GLN :FLIP amide:sc= -1.21 F(o=-3.6!,f=-1.2) USER MOD Single : A 38 GLN : amide:sc= -9.12! C(o=-9.1!,f=-11!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.873 F(o=-2.7!,f=-0.87) USER MOD Single : A 48 TYR OH : rot 133:sc= -0.148 USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= -0.0324 (180deg=-0.0467) USER MOD Single : A 51 MET CE :methyl -168:sc= -4.71! (180deg=-5.24!) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 14:sc= 0.833 USER MOD Single : A 55 ASN : amide:sc= 0.0568 X(o=0.057,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.245 K(o=-0.25,f=-3.4) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0199 F(o=-1.3!,f=-0.02) USER MOD Single : A 61 MET CE :methyl 169:sc= -9.36! (180deg=-9.54!) USER MOD Single : A 62 SER OG : rot 8:sc= 0.662 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 120:sc= 1.08 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN :FLIP amide:sc= -4.1! C(o=-6.6!,f=-4.1!) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc=-0.00787 (180deg=-0.18) USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 14 -7.378 8.059 -0.140 1.00 0.00 N ATOM 197 CA VAL A 14 -7.484 8.229 -1.585 1.00 0.00 C ATOM 198 C VAL A 14 -6.329 9.063 -2.138 1.00 0.00 C ATOM 199 O VAL A 14 -5.767 8.741 -3.186 1.00 0.00 O ATOM 200 CB VAL A 14 -8.835 8.883 -1.964 1.00 0.00 C ATOM 201 CG1 VAL A 14 -8.809 9.433 -3.379 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.967 7.875 -1.817 1.00 0.00 C ATOM 0 HA VAL A 14 -7.432 7.236 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.004 9.717 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.773 9.885 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.026 10.186 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.609 8.623 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.912 8.347 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.785 7.025 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.015 7.530 -0.784 1.00 0.00 H new ATOM 212 N THR A 15 -5.974 10.133 -1.441 1.00 0.00 N ATOM 213 CA THR A 15 -4.848 10.955 -1.852 1.00 0.00 C ATOM 214 C THR A 15 -3.571 10.119 -1.867 1.00 0.00 C ATOM 215 O THR A 15 -2.867 10.018 -2.888 1.00 0.00 O ATOM 216 CB THR A 15 -4.673 12.162 -0.909 1.00 0.00 C ATOM 217 OG1 THR A 15 -5.901 12.898 -0.830 1.00 0.00 O ATOM 218 CG2 THR A 15 -3.565 13.077 -1.399 1.00 0.00 C ATOM 0 H THR A 15 -6.446 10.450 -0.594 1.00 0.00 H new ATOM 0 HA THR A 15 -5.047 11.330 -2.856 1.00 0.00 H new ATOM 0 HB THR A 15 -4.403 11.788 0.079 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.786 13.663 -0.228 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.461 13.921 -0.717 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.627 12.524 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.810 13.444 -2.395 1.00 0.00 H new ATOM 226 N GLU A 16 -3.297 9.470 -0.748 1.00 0.00 N ATOM 227 CA GLU A 16 -2.127 8.635 -0.657 1.00 0.00 C ATOM 228 C GLU A 16 -2.297 7.428 -1.563 1.00 0.00 C ATOM 229 O GLU A 16 -1.322 6.863 -2.012 1.00 0.00 O ATOM 230 CB GLU A 16 -1.856 8.227 0.792 1.00 0.00 C ATOM 231 CG GLU A 16 -2.594 6.988 1.266 1.00 0.00 C ATOM 232 CD GLU A 16 -2.328 6.700 2.730 1.00 0.00 C ATOM 233 OE1 GLU A 16 -1.170 6.369 3.077 1.00 0.00 O ATOM 234 OE2 GLU A 16 -3.267 6.830 3.543 1.00 0.00 O ATOM 0 H GLU A 16 -3.866 9.508 0.098 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.255 9.197 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.785 8.060 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.123 9.060 1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.665 7.121 1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.289 6.131 0.666 1.00 0.00 H new ATOM 241 N LEU A 17 -3.546 7.086 -1.884 1.00 0.00 N ATOM 242 CA LEU A 17 -3.838 5.986 -2.776 1.00 0.00 C ATOM 243 C LEU A 17 -3.293 6.307 -4.163 1.00 0.00 C ATOM 244 O LEU A 17 -2.714 5.451 -4.835 1.00 0.00 O ATOM 245 CB LEU A 17 -5.345 5.720 -2.810 1.00 0.00 C ATOM 246 CG LEU A 17 -5.966 5.558 -4.188 1.00 0.00 C ATOM 247 CD1 LEU A 17 -5.637 4.195 -4.790 1.00 0.00 C ATOM 248 CD2 LEU A 17 -7.471 5.772 -4.130 1.00 0.00 C ATOM 0 H LEU A 17 -4.373 7.567 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.354 5.078 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.547 4.816 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.850 6.541 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.535 6.320 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.096 4.112 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.556 4.090 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.023 3.408 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.894 5.651 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.917 5.041 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.682 6.777 -3.766 1.00 0.00 H new ATOM 260 N GLU A 18 -3.471 7.559 -4.572 1.00 0.00 N ATOM 261 CA GLU A 18 -2.906 8.051 -5.821 1.00 0.00 C ATOM 262 C GLU A 18 -1.382 8.068 -5.743 1.00 0.00 C ATOM 263 O GLU A 18 -0.694 7.914 -6.752 1.00 0.00 O ATOM 264 CB GLU A 18 -3.431 9.454 -6.120 1.00 0.00 C ATOM 265 CG GLU A 18 -4.912 9.498 -6.459 1.00 0.00 C ATOM 266 CD GLU A 18 -5.226 8.845 -7.790 1.00 0.00 C ATOM 267 OE1 GLU A 18 -4.728 9.334 -8.826 1.00 0.00 O ATOM 268 OE2 GLU A 18 -5.977 7.845 -7.811 1.00 0.00 O ATOM 0 H GLU A 18 -4.006 8.254 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.208 7.382 -6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.247 10.092 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.865 9.873 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.476 8.998 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.245 10.536 -6.480 1.00 0.00 H new ATOM 275 N CYS A 19 -0.863 8.234 -4.534 1.00 0.00 N ATOM 276 CA CYS A 19 0.575 8.213 -4.309 1.00 0.00 C ATOM 277 C CYS A 19 1.046 6.798 -3.998 1.00 0.00 C ATOM 278 O CYS A 19 2.218 6.571 -3.732 1.00 0.00 O ATOM 279 CB CYS A 19 0.981 9.189 -3.201 1.00 0.00 C ATOM 280 SG CYS A 19 1.092 10.923 -3.757 1.00 0.00 S ATOM 0 H CYS A 19 -1.419 8.385 -3.692 1.00 0.00 H new ATOM 0 HA CYS A 19 1.065 8.541 -5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.258 9.123 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.946 8.884 -2.796 1.00 0.00 H new ATOM 285 N ILE A 20 0.102 5.865 -3.965 1.00 0.00 N ATOM 286 CA ILE A 20 0.415 4.442 -3.857 1.00 0.00 C ATOM 287 C ILE A 20 0.468 3.800 -5.246 1.00 0.00 C ATOM 288 O ILE A 20 1.298 2.934 -5.519 1.00 0.00 O ATOM 289 CB ILE A 20 -0.630 3.686 -2.996 1.00 0.00 C ATOM 290 CG1 ILE A 20 -0.585 4.166 -1.544 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.386 2.184 -3.058 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.760 3.700 -0.710 1.00 0.00 C ATOM 0 H ILE A 20 -0.896 6.070 -4.012 1.00 0.00 H new ATOM 0 HA ILE A 20 1.388 4.365 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.620 3.898 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.338 3.814 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.552 5.255 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.128 1.669 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.466 1.845 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.612 1.962 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.658 4.080 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.687 4.074 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.782 2.610 -0.690 1.00 0.00 H new ATOM 304 N ARG A 21 -0.405 4.250 -6.134 1.00 0.00 N ATOM 305 CA ARG A 21 -0.545 3.626 -7.449 1.00 0.00 C ATOM 306 C ARG A 21 0.470 4.166 -8.441 1.00 0.00 C ATOM 307 O ARG A 21 0.550 3.704 -9.579 1.00 0.00 O ATOM 308 CB ARG A 21 -1.942 3.850 -8.002 1.00 0.00 C ATOM 309 CG ARG A 21 -2.246 5.307 -8.336 1.00 0.00 C ATOM 310 CD ARG A 21 -3.737 5.556 -8.472 1.00 0.00 C ATOM 311 NE ARG A 21 -4.398 4.543 -9.290 1.00 0.00 N ATOM 312 CZ ARG A 21 -5.706 4.301 -9.248 1.00 0.00 C ATOM 313 NH1 ARG A 21 -6.511 5.081 -8.533 1.00 0.00 N ATOM 314 NH2 ARG A 21 -6.217 3.294 -9.947 1.00 0.00 N ATOM 0 H ARG A 21 -1.027 5.042 -5.973 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.367 2.559 -7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.068 3.247 -8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.672 3.494 -7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.840 5.951 -7.556 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.746 5.579 -9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.192 5.573 -7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.900 6.539 -8.914 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.826 3.991 -9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.127 5.870 -8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.513 4.891 -8.505 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.607 2.707 -10.516 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.219 3.108 -9.915 1.00 0.00 H new ATOM 328 N LEU A 22 1.237 5.142 -7.998 1.00 0.00 N ATOM 329 CA LEU A 22 2.261 5.778 -8.815 1.00 0.00 C ATOM 330 C LEU A 22 3.413 4.817 -9.155 1.00 0.00 C ATOM 331 O LEU A 22 4.458 5.241 -9.651 1.00 0.00 O ATOM 332 CB LEU A 22 2.768 7.048 -8.093 1.00 0.00 C ATOM 333 CG LEU A 22 3.657 6.882 -6.833 1.00 0.00 C ATOM 334 CD1 LEU A 22 3.371 5.598 -6.057 1.00 0.00 C ATOM 335 CD2 LEU A 22 5.132 6.986 -7.195 1.00 0.00 C ATOM 0 H LEU A 22 1.170 5.522 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 22 1.819 6.062 -9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.328 7.639 -8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.896 7.637 -7.807 1.00 0.00 H new ATOM 0 HG LEU A 22 3.400 7.703 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.027 5.544 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.332 5.596 -5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.550 4.737 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.737 6.867 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.387 6.204 -7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.330 7.962 -7.638 1.00 0.00 H new ATOM 347 N ARG A 23 3.201 3.521 -8.885 1.00 0.00 N ATOM 348 CA ARG A 23 4.202 2.465 -9.119 1.00 0.00 C ATOM 349 C ARG A 23 5.400 2.588 -8.170 1.00 0.00 C ATOM 350 O ARG A 23 6.261 1.708 -8.129 1.00 0.00 O ATOM 351 CB ARG A 23 4.668 2.458 -10.580 1.00 0.00 C ATOM 352 CG ARG A 23 3.535 2.244 -11.571 1.00 0.00 C ATOM 353 CD ARG A 23 2.817 0.927 -11.317 1.00 0.00 C ATOM 354 NE ARG A 23 1.593 0.807 -12.107 1.00 0.00 N ATOM 355 CZ ARG A 23 1.164 -0.329 -12.648 1.00 0.00 C ATOM 356 NH1 ARG A 23 1.856 -1.452 -12.485 1.00 0.00 N ATOM 357 NH2 ARG A 23 0.032 -0.344 -13.339 1.00 0.00 N ATOM 0 H ARG A 23 2.325 3.172 -8.496 1.00 0.00 H new ATOM 0 HA ARG A 23 3.714 1.513 -8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.161 3.404 -10.801 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.411 1.672 -10.713 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.825 3.068 -11.497 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.931 2.254 -12.586 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.484 0.099 -11.555 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.574 0.846 -10.258 1.00 0.00 H new ATOM 0 HE ARG A 23 1.033 1.647 -12.252 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.720 -1.445 -11.943 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.523 -2.321 -12.902 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.507 0.514 -13.454 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.300 -1.214 -13.755 1.00 0.00 H new ATOM 371 N ILE A 24 5.429 3.684 -7.421 1.00 0.00 N ATOM 372 CA ILE A 24 6.397 3.929 -6.356 1.00 0.00 C ATOM 373 C ILE A 24 7.835 3.674 -6.815 1.00 0.00 C ATOM 374 O ILE A 24 8.319 4.331 -7.735 1.00 0.00 O ATOM 375 CB ILE A 24 6.063 3.104 -5.085 1.00 0.00 C ATOM 376 CG1 ILE A 24 4.541 2.873 -4.993 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.577 3.817 -3.849 1.00 0.00 C ATOM 378 CD1 ILE A 24 3.965 2.901 -3.593 1.00 0.00 C ATOM 0 H ILE A 24 4.763 4.447 -7.540 1.00 0.00 H new ATOM 0 HA ILE A 24 6.323 4.986 -6.100 1.00 0.00 H new ATOM 0 HB ILE A 24 6.556 2.134 -5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.038 3.634 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.309 1.908 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.337 3.229 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.658 3.938 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.106 4.797 -3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.890 2.728 -3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.432 2.121 -2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.158 3.873 -3.140 1.00 0.00 H new ATOM 390 N SER A 25 8.509 2.729 -6.175 1.00 0.00 N ATOM 391 CA SER A 25 9.858 2.346 -6.563 1.00 0.00 C ATOM 392 C SER A 25 10.228 0.972 -5.970 1.00 0.00 C ATOM 393 O SER A 25 10.654 0.085 -6.707 1.00 0.00 O ATOM 394 CB SER A 25 10.885 3.396 -6.148 1.00 0.00 C ATOM 395 OG SER A 25 12.177 3.083 -6.631 1.00 0.00 O ATOM 0 H SER A 25 8.139 2.210 -5.378 1.00 0.00 H new ATOM 0 HA SER A 25 9.875 2.275 -7.651 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.581 4.372 -6.527 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.911 3.470 -5.061 1.00 0.00 H new ATOM 0 HG SER A 25 12.809 3.777 -6.348 1.00 0.00 H new ATOM 401 N PRO A 26 10.082 0.787 -4.620 1.00 0.00 N ATOM 402 CA PRO A 26 10.404 -0.488 -3.921 1.00 0.00 C ATOM 403 C PRO A 26 9.653 -1.734 -4.438 1.00 0.00 C ATOM 404 O PRO A 26 9.143 -1.758 -5.557 1.00 0.00 O ATOM 405 CB PRO A 26 9.972 -0.185 -2.479 1.00 0.00 C ATOM 406 CG PRO A 26 10.173 1.273 -2.344 1.00 0.00 C ATOM 407 CD PRO A 26 9.672 1.826 -3.636 1.00 0.00 C ATOM 0 HA PRO A 26 11.452 -0.751 -4.065 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.932 -0.462 -2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.573 -0.739 -1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.619 1.676 -1.496 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.223 1.518 -2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.591 1.967 -3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.118 2.795 -3.861 1.00 0.00 H new ATOM 415 N GLU A 27 9.567 -2.770 -3.588 1.00 0.00 N ATOM 416 CA GLU A 27 8.870 -4.024 -3.936 1.00 0.00 C ATOM 417 C GLU A 27 7.374 -3.802 -4.122 1.00 0.00 C ATOM 418 O GLU A 27 6.639 -4.739 -4.415 1.00 0.00 O ATOM 419 CB GLU A 27 9.062 -5.099 -2.865 1.00 0.00 C ATOM 420 CG GLU A 27 10.500 -5.270 -2.408 1.00 0.00 C ATOM 421 CD GLU A 27 11.435 -5.609 -3.548 1.00 0.00 C ATOM 422 OE1 GLU A 27 11.495 -6.795 -3.938 1.00 0.00 O ATOM 423 OE2 GLU A 27 12.106 -4.693 -4.058 1.00 0.00 O ATOM 0 H GLU A 27 9.972 -2.766 -2.652 1.00 0.00 H new ATOM 0 HA GLU A 27 9.312 -4.361 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.445 -4.851 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.700 -6.051 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.837 -4.351 -1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.548 -6.058 -1.657 1.00 0.00 H new ATOM 430 N THR A 28 6.952 -2.563 -3.902 1.00 0.00 N ATOM 431 CA THR A 28 5.563 -2.143 -4.003 1.00 0.00 C ATOM 432 C THR A 28 4.776 -2.883 -5.083 1.00 0.00 C ATOM 433 O THR A 28 3.720 -3.441 -4.799 1.00 0.00 O ATOM 434 CB THR A 28 5.507 -0.627 -4.282 1.00 0.00 C ATOM 435 OG1 THR A 28 4.171 -0.213 -4.575 1.00 0.00 O ATOM 436 CG2 THR A 28 6.407 -0.253 -5.444 1.00 0.00 C ATOM 0 H THR A 28 7.583 -1.805 -3.642 1.00 0.00 H new ATOM 0 HA THR A 28 5.093 -2.387 -3.050 1.00 0.00 H new ATOM 0 HB THR A 28 5.854 -0.119 -3.382 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.615 -0.311 -3.774 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.348 0.821 -5.619 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.436 -0.527 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.085 -0.784 -6.339 1.00 0.00 H new ATOM 444 N ASN A 29 5.300 -2.924 -6.299 1.00 0.00 N ATOM 445 CA ASN A 29 4.561 -3.498 -7.407 1.00 0.00 C ATOM 446 C ASN A 29 4.313 -4.970 -7.161 1.00 0.00 C ATOM 447 O ASN A 29 3.170 -5.395 -7.085 1.00 0.00 O ATOM 448 CB ASN A 29 5.294 -3.286 -8.734 1.00 0.00 C ATOM 449 CG ASN A 29 5.174 -1.863 -9.259 1.00 0.00 C ATOM 450 OD1 ASN A 29 4.999 -0.903 -8.362 1.00 0.00 O flip ATOM 451 ND2 ASN A 29 5.220 -1.629 -10.466 1.00 0.00 N flip ATOM 0 H ASN A 29 6.226 -2.570 -6.540 1.00 0.00 H new ATOM 0 HA ASN A 29 3.601 -2.987 -7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.348 -3.532 -8.604 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.895 -3.976 -9.477 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.356 -2.392 -11.129 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.122 -0.672 -10.804 1.00 0.00 H new ATOM 458 N ALA A 30 5.381 -5.732 -6.964 1.00 0.00 N ATOM 459 CA ALA A 30 5.250 -7.162 -6.761 1.00 0.00 C ATOM 460 C ALA A 30 4.435 -7.447 -5.507 1.00 0.00 C ATOM 461 O ALA A 30 3.336 -8.004 -5.581 1.00 0.00 O ATOM 462 CB ALA A 30 6.621 -7.808 -6.663 1.00 0.00 C ATOM 0 H ALA A 30 6.339 -5.384 -6.941 1.00 0.00 H new ATOM 0 HA ALA A 30 4.727 -7.589 -7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.507 -8.881 -6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.174 -7.629 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.167 -7.378 -5.823 1.00 0.00 H new ATOM 468 N ALA A 31 4.960 -6.989 -4.374 1.00 0.00 N ATOM 469 CA ALA A 31 4.381 -7.275 -3.071 1.00 0.00 C ATOM 470 C ALA A 31 2.912 -6.889 -3.004 1.00 0.00 C ATOM 471 O ALA A 31 2.050 -7.749 -2.803 1.00 0.00 O ATOM 472 CB ALA A 31 5.160 -6.559 -1.981 1.00 0.00 C ATOM 0 H ALA A 31 5.799 -6.410 -4.337 1.00 0.00 H new ATOM 0 HA ALA A 31 4.446 -8.352 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.716 -6.781 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.196 -6.897 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.127 -5.484 -2.157 1.00 0.00 H new ATOM 478 N PHE A 32 2.616 -5.598 -3.154 1.00 0.00 N ATOM 479 CA PHE A 32 1.240 -5.131 -3.047 1.00 0.00 C ATOM 480 C PHE A 32 0.352 -5.796 -4.086 1.00 0.00 C ATOM 481 O PHE A 32 -0.824 -5.987 -3.846 1.00 0.00 O ATOM 482 CB PHE A 32 1.130 -3.614 -3.214 1.00 0.00 C ATOM 483 CG PHE A 32 2.091 -2.882 -2.352 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.745 -3.554 -1.346 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.389 -1.555 -2.576 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.685 -2.940 -0.588 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.329 -0.925 -1.796 1.00 0.00 C ATOM 488 CZ PHE A 32 3.976 -1.633 -0.808 1.00 0.00 C ATOM 0 H PHE A 32 3.302 -4.868 -3.347 1.00 0.00 H new ATOM 0 HA PHE A 32 0.907 -5.401 -2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.308 -3.352 -4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.115 -3.297 -2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.505 -4.590 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.885 -1.012 -3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.200 -3.488 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.559 0.118 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.723 -1.143 -0.202 1.00 0.00 H new ATOM 498 N ASP A 33 0.905 -6.161 -5.238 1.00 0.00 N ATOM 499 CA ASP A 33 0.083 -6.687 -6.304 1.00 0.00 C ATOM 500 C ASP A 33 -0.496 -8.025 -5.905 1.00 0.00 C ATOM 501 O ASP A 33 -1.683 -8.257 -6.092 1.00 0.00 O ATOM 502 CB ASP A 33 0.859 -6.814 -7.608 1.00 0.00 C ATOM 503 CG ASP A 33 -0.051 -7.153 -8.767 1.00 0.00 C ATOM 504 OD1 ASP A 33 -0.842 -6.277 -9.176 1.00 0.00 O ATOM 505 OD2 ASP A 33 0.012 -8.298 -9.262 1.00 0.00 O ATOM 0 H ASP A 33 1.901 -6.101 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.729 -5.980 -6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.379 -5.879 -7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.621 -7.587 -7.505 1.00 0.00 H new ATOM 510 N ASN A 34 0.329 -8.895 -5.324 1.00 0.00 N ATOM 511 CA ASN A 34 -0.176 -10.182 -4.849 1.00 0.00 C ATOM 512 C ASN A 34 -0.873 -10.033 -3.494 1.00 0.00 C ATOM 513 O ASN A 34 -1.746 -10.828 -3.134 1.00 0.00 O ATOM 514 CB ASN A 34 0.919 -11.266 -4.803 1.00 0.00 C ATOM 515 CG ASN A 34 2.132 -10.907 -3.966 1.00 0.00 C ATOM 516 OD1 ASN A 34 2.129 -11.304 -2.709 1.00 0.00 O flip ATOM 517 ND2 ASN A 34 3.082 -10.317 -4.454 1.00 0.00 N flip ATOM 0 H ASN A 34 1.326 -8.739 -5.173 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.915 -10.520 -5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.484 -12.186 -4.412 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.246 -11.476 -5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.053 -10.023 -5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.905 -10.118 -3.886 1.00 0.00 H new ATOM 524 N ALA A 35 -0.512 -8.998 -2.755 1.00 0.00 N ATOM 525 CA ALA A 35 -1.208 -8.679 -1.514 1.00 0.00 C ATOM 526 C ALA A 35 -2.621 -8.199 -1.800 1.00 0.00 C ATOM 527 O ALA A 35 -3.589 -8.808 -1.369 1.00 0.00 O ATOM 528 CB ALA A 35 -0.467 -7.630 -0.722 1.00 0.00 C ATOM 0 H ALA A 35 0.254 -8.366 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.252 -9.592 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.012 -7.415 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.529 -7.997 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.382 -6.719 -1.315 1.00 0.00 H new ATOM 534 N VAL A 36 -2.729 -7.110 -2.538 1.00 0.00 N ATOM 535 CA VAL A 36 -4.010 -6.552 -2.923 1.00 0.00 C ATOM 536 C VAL A 36 -4.763 -7.549 -3.794 1.00 0.00 C ATOM 537 O VAL A 36 -5.982 -7.502 -3.907 1.00 0.00 O ATOM 538 CB VAL A 36 -3.798 -5.221 -3.664 1.00 0.00 C ATOM 539 CG1 VAL A 36 -5.118 -4.563 -3.999 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.953 -4.284 -2.823 1.00 0.00 C ATOM 0 H VAL A 36 -1.927 -6.586 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.606 -6.355 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.279 -5.436 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.934 -3.625 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.703 -5.225 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.669 -4.364 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.809 -3.345 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.458 -4.089 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.984 -4.743 -2.629 1.00 0.00 H new ATOM 550 N GLN A 37 -4.011 -8.453 -4.393 1.00 0.00 N ATOM 551 CA GLN A 37 -4.566 -9.627 -5.038 1.00 0.00 C ATOM 552 C GLN A 37 -5.382 -10.453 -4.034 1.00 0.00 C ATOM 553 O GLN A 37 -6.485 -10.905 -4.343 1.00 0.00 O ATOM 554 CB GLN A 37 -3.412 -10.434 -5.625 1.00 0.00 C ATOM 555 CG GLN A 37 -3.755 -11.848 -6.050 1.00 0.00 C ATOM 556 CD GLN A 37 -2.553 -12.572 -6.622 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.620 -11.822 -7.198 1.00 0.00 O flip ATOM 558 NE2 GLN A 37 -2.454 -13.795 -6.535 1.00 0.00 N flip ATOM 0 H GLN A 37 -2.994 -8.393 -4.446 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.247 -9.338 -5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.020 -9.898 -6.489 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.611 -10.479 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.139 -12.402 -5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.551 -11.821 -6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.193 -14.336 -6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.633 -14.268 -6.913 1.00 0.00 H new ATOM 567 N GLN A 38 -4.823 -10.639 -2.835 1.00 0.00 N ATOM 568 CA GLN A 38 -5.542 -11.276 -1.724 1.00 0.00 C ATOM 569 C GLN A 38 -6.815 -10.531 -1.364 1.00 0.00 C ATOM 570 O GLN A 38 -7.920 -11.040 -1.533 1.00 0.00 O ATOM 571 CB GLN A 38 -4.709 -11.267 -0.453 1.00 0.00 C ATOM 572 CG GLN A 38 -3.497 -12.157 -0.447 1.00 0.00 C ATOM 573 CD GLN A 38 -2.502 -11.651 0.564 1.00 0.00 C ATOM 574 OE1 GLN A 38 -1.835 -12.424 1.248 1.00 0.00 O ATOM 575 NE2 GLN A 38 -2.381 -10.326 0.642 1.00 0.00 N ATOM 0 H GLN A 38 -3.870 -10.356 -2.607 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.759 -12.287 -2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.384 -10.244 -0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.351 -11.556 0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.786 -13.180 -0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.044 -12.178 -1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.958 -9.726 0.053 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.712 -9.912 1.291 1.00 0.00 H new ATOM 584 N LEU A 39 -6.636 -9.312 -0.849 1.00 0.00 N ATOM 585 CA LEU A 39 -7.741 -8.574 -0.249 1.00 0.00 C ATOM 586 C LEU A 39 -8.698 -8.074 -1.314 1.00 0.00 C ATOM 587 O LEU A 39 -9.847 -7.719 -1.038 1.00 0.00 O ATOM 588 CB LEU A 39 -7.231 -7.417 0.624 1.00 0.00 C ATOM 589 CG LEU A 39 -6.095 -6.569 0.037 1.00 0.00 C ATOM 590 CD1 LEU A 39 -6.252 -5.136 0.459 1.00 0.00 C ATOM 591 CD2 LEU A 39 -4.738 -7.049 0.516 1.00 0.00 C ATOM 0 H LEU A 39 -5.742 -8.821 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.286 -9.259 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.071 -6.758 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.893 -7.829 1.575 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.150 -6.663 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.441 -4.542 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.207 -4.753 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.222 -5.072 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.957 -6.426 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.691 -6.983 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.589 -8.084 0.209 1.00 0.00 H new ATOM 603 N ASN A 40 -8.180 -8.068 -2.540 1.00 0.00 N ATOM 604 CA ASN A 40 -8.963 -7.866 -3.756 1.00 0.00 C ATOM 605 C ASN A 40 -9.845 -6.638 -3.657 1.00 0.00 C ATOM 606 O ASN A 40 -10.998 -6.634 -4.076 1.00 0.00 O ATOM 607 CB ASN A 40 -9.781 -9.125 -4.029 1.00 0.00 C ATOM 608 CG ASN A 40 -10.184 -9.268 -5.483 1.00 0.00 C ATOM 609 OD1 ASN A 40 -11.256 -8.823 -5.893 1.00 0.00 O ATOM 610 ND2 ASN A 40 -9.330 -9.906 -6.267 1.00 0.00 N ATOM 0 H ASN A 40 -7.185 -8.206 -2.719 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.286 -7.688 -4.592 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.202 -9.999 -3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.678 -9.110 -3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.549 -10.045 -7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.452 -10.258 -5.885 1.00 0.00 H new ATOM 617 N CYS A 41 -9.270 -5.592 -3.102 1.00 0.00 N ATOM 618 CA CYS A 41 -9.969 -4.337 -2.893 1.00 0.00 C ATOM 619 C CYS A 41 -9.832 -3.423 -4.103 1.00 0.00 C ATOM 620 O CYS A 41 -10.189 -2.241 -4.032 1.00 0.00 O ATOM 621 CB CYS A 41 -9.384 -3.639 -1.677 1.00 0.00 C ATOM 622 SG CYS A 41 -9.779 -4.412 -0.072 1.00 0.00 S ATOM 0 H CYS A 41 -8.302 -5.586 -2.781 1.00 0.00 H new ATOM 0 HA CYS A 41 -11.026 -4.553 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.300 -3.601 -1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.740 -2.609 -1.663 1.00 0.00 H new ATOM 627 N LEU A 42 -9.287 -3.974 -5.190 1.00 0.00 N ATOM 628 CA LEU A 42 -9.015 -3.229 -6.421 1.00 0.00 C ATOM 629 C LEU A 42 -7.861 -2.249 -6.207 1.00 0.00 C ATOM 630 O LEU A 42 -6.841 -2.317 -6.893 1.00 0.00 O ATOM 631 CB LEU A 42 -10.285 -2.517 -6.925 1.00 0.00 C ATOM 632 CG LEU A 42 -10.202 -1.890 -8.324 1.00 0.00 C ATOM 633 CD1 LEU A 42 -11.594 -1.739 -8.915 1.00 0.00 C ATOM 634 CD2 LEU A 42 -9.521 -0.530 -8.274 1.00 0.00 C ATOM 0 H LEU A 42 -9.020 -4.957 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.712 -3.934 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.105 -3.235 -6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.543 -1.733 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.609 -2.553 -8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.522 -1.293 -9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.065 -2.719 -8.991 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.195 -1.096 -8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.476 -0.109 -9.278 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.089 0.138 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.510 -0.643 -7.882 1.00 0.00 H new ATOM 646 N ASN A 43 -8.003 -1.348 -5.244 1.00 0.00 N ATOM 647 CA ASN A 43 -6.957 -0.379 -4.976 1.00 0.00 C ATOM 648 C ASN A 43 -6.026 -0.867 -3.881 1.00 0.00 C ATOM 649 O ASN A 43 -6.432 -1.564 -2.945 1.00 0.00 O ATOM 650 CB ASN A 43 -7.527 1.022 -4.663 1.00 0.00 C ATOM 651 CG ASN A 43 -8.385 1.139 -3.405 1.00 0.00 C ATOM 652 OD1 ASN A 43 -8.086 0.375 -2.366 1.00 0.00 O flip ATOM 653 ND2 ASN A 43 -9.314 1.938 -3.365 1.00 0.00 N flip ATOM 0 H ASN A 43 -8.824 -1.270 -4.643 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.369 -0.277 -5.888 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.693 1.718 -4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.124 1.347 -5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.525 2.516 -4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.876 2.025 -2.518 1.00 0.00 H new ATOM 660 N ARG A 44 -4.769 -0.493 -4.014 1.00 0.00 N ATOM 661 CA ARG A 44 -3.736 -0.879 -3.066 1.00 0.00 C ATOM 662 C ARG A 44 -3.895 -0.103 -1.762 1.00 0.00 C ATOM 663 O ARG A 44 -3.203 -0.370 -0.785 1.00 0.00 O ATOM 664 CB ARG A 44 -2.350 -0.611 -3.661 1.00 0.00 C ATOM 665 CG ARG A 44 -1.866 -1.654 -4.674 1.00 0.00 C ATOM 666 CD ARG A 44 -2.693 -1.657 -5.953 1.00 0.00 C ATOM 667 NE ARG A 44 -2.261 -2.695 -6.896 1.00 0.00 N ATOM 668 CZ ARG A 44 -2.631 -2.735 -8.180 1.00 0.00 C ATOM 669 NH1 ARG A 44 -3.441 -1.807 -8.670 1.00 0.00 N ATOM 670 NH2 ARG A 44 -2.207 -3.711 -8.979 1.00 0.00 N ATOM 0 H ARG A 44 -4.432 0.088 -4.782 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.837 -1.944 -2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.362 0.365 -4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.627 -0.554 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.823 -1.458 -4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.905 -2.643 -4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.743 -1.811 -5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.619 -0.681 -6.432 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.642 -3.429 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.784 -1.059 -8.067 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.721 -1.841 -9.650 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.593 -4.439 -8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.496 -3.731 -9.957 1.00 0.00 H new ATOM 684 N ALA A 45 -4.813 0.858 -1.757 1.00 0.00 N ATOM 685 CA ALA A 45 -5.077 1.665 -0.574 1.00 0.00 C ATOM 686 C ALA A 45 -5.668 0.814 0.549 1.00 0.00 C ATOM 687 O ALA A 45 -5.484 1.099 1.724 1.00 0.00 O ATOM 688 CB ALA A 45 -6.012 2.813 -0.917 1.00 0.00 C ATOM 0 H ALA A 45 -5.389 1.097 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.130 2.076 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.201 3.408 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.553 3.441 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.954 2.415 -1.293 1.00 0.00 H new ATOM 694 N CYS A 46 -6.375 -0.234 0.160 1.00 0.00 N ATOM 695 CA CYS A 46 -6.977 -1.175 1.102 1.00 0.00 C ATOM 696 C CYS A 46 -5.872 -1.968 1.799 1.00 0.00 C ATOM 697 O CYS A 46 -5.867 -2.172 3.024 1.00 0.00 O ATOM 698 CB CYS A 46 -7.891 -2.107 0.310 1.00 0.00 C ATOM 699 SG CYS A 46 -9.110 -3.049 1.279 1.00 0.00 S ATOM 0 H CYS A 46 -6.551 -0.460 -0.819 1.00 0.00 H new ATOM 0 HA CYS A 46 -7.555 -0.652 1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -8.427 -1.514 -0.431 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -7.268 -2.814 -0.238 1.00 0.00 H new ATOM 704 N ALA A 47 -4.920 -2.386 0.987 1.00 0.00 N ATOM 705 CA ALA A 47 -3.739 -3.070 1.472 1.00 0.00 C ATOM 706 C ALA A 47 -2.989 -2.165 2.434 1.00 0.00 C ATOM 707 O ALA A 47 -2.633 -2.546 3.550 1.00 0.00 O ATOM 708 CB ALA A 47 -2.857 -3.429 0.301 1.00 0.00 C ATOM 0 H ALA A 47 -4.944 -2.261 -0.025 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.027 -3.981 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.966 -3.944 0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.404 -4.082 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.563 -2.521 -0.225 1.00 0.00 H new ATOM 714 N TYR A 48 -2.792 -0.934 1.996 1.00 0.00 N ATOM 715 CA TYR A 48 -2.118 0.057 2.807 1.00 0.00 C ATOM 716 C TYR A 48 -2.978 0.444 4.000 1.00 0.00 C ATOM 717 O TYR A 48 -2.487 1.032 4.967 1.00 0.00 O ATOM 718 CB TYR A 48 -1.724 1.284 1.977 1.00 0.00 C ATOM 719 CG TYR A 48 -0.253 1.294 1.625 1.00 0.00 C ATOM 720 CD1 TYR A 48 0.699 1.320 2.633 1.00 0.00 C ATOM 721 CD2 TYR A 48 0.193 1.247 0.304 1.00 0.00 C ATOM 722 CE1 TYR A 48 2.045 1.311 2.345 1.00 0.00 C ATOM 723 CE2 TYR A 48 1.539 1.233 0.014 1.00 0.00 C ATOM 724 CZ TYR A 48 2.457 1.265 1.036 1.00 0.00 C ATOM 725 OH TYR A 48 3.794 1.244 0.748 1.00 0.00 O ATOM 0 H TYR A 48 -3.091 -0.599 1.080 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.196 -0.384 3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.314 1.304 1.061 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.968 2.189 2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.378 1.348 3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.526 1.221 -0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.772 1.340 3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.872 1.197 -1.013 1.00 0.00 H new ATOM 0 HH TYR A 48 3.976 0.541 0.089 1.00 0.00 H new ATOM 735 N ARG A 49 -4.262 0.091 3.946 1.00 0.00 N ATOM 736 CA ARG A 49 -5.112 0.244 5.103 1.00 0.00 C ATOM 737 C ARG A 49 -4.601 -0.659 6.204 1.00 0.00 C ATOM 738 O ARG A 49 -4.363 -0.182 7.288 1.00 0.00 O ATOM 739 CB ARG A 49 -6.588 -0.034 4.818 1.00 0.00 C ATOM 740 CG ARG A 49 -7.461 0.156 6.051 1.00 0.00 C ATOM 741 CD ARG A 49 -8.926 -0.151 5.788 1.00 0.00 C ATOM 742 NE ARG A 49 -9.719 -0.019 7.008 1.00 0.00 N ATOM 743 CZ ARG A 49 -10.989 -0.406 7.128 1.00 0.00 C ATOM 744 NH1 ARG A 49 -11.644 -0.915 6.092 1.00 0.00 N ATOM 745 NH2 ARG A 49 -11.610 -0.277 8.291 1.00 0.00 N ATOM 0 H ARG A 49 -4.722 -0.296 3.122 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.066 1.289 5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.934 0.629 4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.699 -1.054 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.097 -0.489 6.851 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.367 1.184 6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.311 0.526 5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.024 -1.163 5.395 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.270 0.398 7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.176 -1.014 5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.616 -1.207 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.116 0.118 9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.582 -0.572 8.386 1.00 0.00 H new ATOM 759 N LYS A 50 -4.405 -1.960 5.939 1.00 0.00 N ATOM 760 CA LYS A 50 -3.746 -2.816 6.934 1.00 0.00 C ATOM 761 C LYS A 50 -2.365 -2.302 7.272 1.00 0.00 C ATOM 762 O LYS A 50 -1.969 -2.301 8.423 1.00 0.00 O ATOM 763 CB LYS A 50 -3.580 -4.262 6.471 1.00 0.00 C ATOM 764 CG LYS A 50 -2.655 -5.061 7.394 1.00 0.00 C ATOM 765 CD LYS A 50 -2.563 -6.534 7.039 1.00 0.00 C ATOM 766 CE LYS A 50 -1.823 -7.317 8.118 1.00 0.00 C ATOM 767 NZ LYS A 50 -0.422 -6.844 8.309 1.00 0.00 N ATOM 0 H LYS A 50 -4.682 -2.428 5.076 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.404 -2.789 7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.557 -4.744 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.178 -4.274 5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.657 -4.625 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.009 -4.965 8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.565 -6.943 6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.048 -6.649 6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.364 -7.230 9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.813 -8.374 7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.047 -7.430 9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.095 -6.919 7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.430 -5.852 8.622 1.00 0.00 H new ATOM 781 N MET A 51 -1.606 -1.934 6.271 1.00 0.00 N ATOM 782 CA MET A 51 -0.269 -1.386 6.528 1.00 0.00 C ATOM 783 C MET A 51 -0.333 -0.296 7.617 1.00 0.00 C ATOM 784 O MET A 51 0.580 -0.158 8.427 1.00 0.00 O ATOM 785 CB MET A 51 0.356 -0.844 5.240 1.00 0.00 C ATOM 786 CG MET A 51 1.874 -0.711 5.301 1.00 0.00 C ATOM 787 SD MET A 51 2.432 0.723 6.242 1.00 0.00 S ATOM 788 CE MET A 51 4.173 0.348 6.417 1.00 0.00 C ATOM 0 H MET A 51 -1.869 -1.995 5.287 1.00 0.00 H new ATOM 0 HA MET A 51 0.369 -2.192 6.892 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.091 -1.503 4.413 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.076 0.132 5.020 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.292 -1.613 5.747 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.266 -0.645 4.286 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.618 1.021 7.150 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.291 -0.683 6.751 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.671 0.477 5.456 1.00 0.00 H new ATOM 798 N CYS A 52 -1.444 0.437 7.653 1.00 0.00 N ATOM 799 CA CYS A 52 -1.668 1.479 8.656 1.00 0.00 C ATOM 800 C CYS A 52 -2.487 0.967 9.868 1.00 0.00 C ATOM 801 O CYS A 52 -2.194 1.298 11.018 1.00 0.00 O ATOM 802 CB CYS A 52 -2.395 2.640 7.974 1.00 0.00 C ATOM 803 SG CYS A 52 -2.831 4.041 9.051 1.00 0.00 S ATOM 0 H CYS A 52 -2.212 0.327 6.991 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.704 1.800 9.051 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.768 3.011 7.163 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.309 2.256 7.521 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.438 4.953 8.352 1.00 0.00 H new ATOM 808 N ALA A 53 -3.495 0.147 9.588 1.00 0.00 N ATOM 809 CA ALA A 53 -4.479 -0.299 10.582 1.00 0.00 C ATOM 810 C ALA A 53 -4.126 -1.659 11.172 1.00 0.00 C ATOM 811 O ALA A 53 -4.816 -2.173 12.050 1.00 0.00 O ATOM 812 CB ALA A 53 -5.850 -0.386 9.928 1.00 0.00 C ATOM 0 H ALA A 53 -3.658 -0.234 8.656 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.480 0.429 11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.583 -0.717 10.663 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.135 0.595 9.548 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.815 -1.099 9.104 1.00 0.00 H new ATOM 818 N THR A 54 -3.052 -2.223 10.654 1.00 0.00 N ATOM 819 CA THR A 54 -2.552 -3.545 11.016 1.00 0.00 C ATOM 820 C THR A 54 -3.613 -4.648 10.906 1.00 0.00 C ATOM 821 O THR A 54 -3.630 -5.556 11.738 1.00 0.00 O ATOM 822 CB THR A 54 -1.905 -3.562 12.426 1.00 0.00 C ATOM 823 OG1 THR A 54 -2.823 -3.106 13.432 1.00 0.00 O ATOM 824 CG2 THR A 54 -0.653 -2.696 12.452 1.00 0.00 C ATOM 0 H THR A 54 -2.481 -1.762 9.946 1.00 0.00 H new ATOM 0 HA THR A 54 -1.780 -3.766 10.279 1.00 0.00 H new ATOM 0 HB THR A 54 -1.636 -4.595 12.646 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.731 -3.092 13.064 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.214 -2.721 13.449 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.068 -3.077 11.729 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.915 -1.669 12.197 1.00 0.00 H new ATOM 832 N ASN A 55 -4.472 -4.616 9.865 1.00 0.00 N ATOM 833 CA ASN A 55 -5.486 -5.662 9.724 1.00 0.00 C ATOM 834 C ASN A 55 -6.207 -5.651 8.379 1.00 0.00 C ATOM 835 O ASN A 55 -7.317 -5.133 8.256 1.00 0.00 O ATOM 836 CB ASN A 55 -6.511 -5.580 10.853 1.00 0.00 C ATOM 837 CG ASN A 55 -7.347 -6.842 10.976 1.00 0.00 C ATOM 838 OD1 ASN A 55 -6.981 -7.771 11.693 1.00 0.00 O ATOM 839 ND2 ASN A 55 -8.482 -6.881 10.290 1.00 0.00 N ATOM 0 H ASN A 55 -4.480 -3.901 9.138 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.939 -6.603 9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.994 -5.398 11.795 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.169 -4.728 10.680 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.085 -7.702 10.347 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.752 -6.090 9.705 1.00 0.00 H new ATOM 846 N ASN A 56 -5.565 -6.259 7.392 1.00 0.00 N ATOM 847 CA ASN A 56 -6.179 -6.589 6.119 1.00 0.00 C ATOM 848 C ASN A 56 -5.528 -7.881 5.623 1.00 0.00 C ATOM 849 O ASN A 56 -5.448 -8.856 6.372 1.00 0.00 O ATOM 850 CB ASN A 56 -6.080 -5.451 5.057 1.00 0.00 C ATOM 851 CG ASN A 56 -7.030 -4.304 5.297 1.00 0.00 C ATOM 852 OD1 ASN A 56 -6.789 -3.420 6.115 1.00 0.00 O ATOM 853 ND2 ASN A 56 -8.093 -4.289 4.533 1.00 0.00 N ATOM 0 H ASN A 56 -4.587 -6.540 7.457 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.250 -6.721 6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.060 -5.068 5.044 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.275 -5.871 4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.761 -3.521 4.604 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.253 -5.045 3.867 1.00 0.00 H new ATOM 860 N LEU A 57 -5.056 -7.902 4.395 1.00 0.00 N ATOM 861 CA LEU A 57 -4.533 -9.135 3.805 1.00 0.00 C ATOM 862 C LEU A 57 -3.013 -9.161 3.700 1.00 0.00 C ATOM 863 O LEU A 57 -2.448 -10.156 3.275 1.00 0.00 O ATOM 864 CB LEU A 57 -5.173 -9.374 2.459 1.00 0.00 C ATOM 865 CG LEU A 57 -6.186 -10.525 2.419 1.00 0.00 C ATOM 866 CD1 LEU A 57 -5.558 -11.820 2.912 1.00 0.00 C ATOM 867 CD2 LEU A 57 -7.418 -10.184 3.243 1.00 0.00 C ATOM 0 H LEU A 57 -5.020 -7.088 3.781 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.796 -9.947 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.673 -8.458 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.388 -9.575 1.731 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.492 -10.668 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.297 -12.620 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.710 -12.078 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.216 -11.691 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -8.124 -11.013 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.126 -10.007 4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.888 -9.287 2.840 1.00 0.00 H new ATOM 879 N GLU A 58 -2.388 -8.064 4.106 1.00 0.00 N ATOM 880 CA GLU A 58 -0.982 -7.702 3.760 1.00 0.00 C ATOM 881 C GLU A 58 0.083 -8.778 3.971 1.00 0.00 C ATOM 882 O GLU A 58 1.249 -8.545 3.671 1.00 0.00 O ATOM 883 CB GLU A 58 -0.587 -6.440 4.496 1.00 0.00 C ATOM 884 CG GLU A 58 -1.251 -5.197 3.934 1.00 0.00 C ATOM 885 CD GLU A 58 -2.428 -5.537 3.041 1.00 0.00 C ATOM 886 OE1 GLU A 58 -2.204 -5.842 1.855 1.00 0.00 O ATOM 887 OE2 GLU A 58 -3.572 -5.554 3.541 1.00 0.00 O ATOM 0 H GLU A 58 -2.840 -7.370 4.702 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.002 -7.560 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.850 -6.542 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.495 -6.321 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.589 -4.564 4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.520 -4.620 3.367 1.00 0.00 H new ATOM 894 N GLN A 59 -0.304 -9.918 4.490 1.00 0.00 N ATOM 895 CA GLN A 59 0.574 -11.066 4.612 1.00 0.00 C ATOM 896 C GLN A 59 1.432 -11.258 3.360 1.00 0.00 C ATOM 897 O GLN A 59 2.655 -11.235 3.442 1.00 0.00 O ATOM 898 CB GLN A 59 -0.271 -12.303 4.857 1.00 0.00 C ATOM 899 CG GLN A 59 -0.989 -12.280 6.194 1.00 0.00 C ATOM 900 CD GLN A 59 -1.930 -13.452 6.380 1.00 0.00 C ATOM 901 OE1 GLN A 59 -2.478 -13.954 5.288 1.00 0.00 O flip ATOM 902 NE2 GLN A 59 -2.157 -13.905 7.502 1.00 0.00 N flip ATOM 0 H GLN A 59 -1.246 -10.081 4.844 1.00 0.00 H new ATOM 0 HA GLN A 59 1.252 -10.898 5.448 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.007 -12.397 4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.366 -13.186 4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.251 -12.282 6.996 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.552 -11.351 6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.713 -13.488 8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.789 -14.698 7.614 1.00 0.00 H new ATOM 911 N ALA A 60 0.789 -11.413 2.207 1.00 0.00 N ATOM 912 CA ALA A 60 1.499 -11.616 0.940 1.00 0.00 C ATOM 913 C ALA A 60 2.572 -10.557 0.684 1.00 0.00 C ATOM 914 O ALA A 60 3.749 -10.893 0.547 1.00 0.00 O ATOM 915 CB ALA A 60 0.525 -11.643 -0.215 1.00 0.00 C ATOM 0 H ALA A 60 -0.227 -11.402 2.120 1.00 0.00 H new ATOM 0 HA ALA A 60 2.004 -12.578 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.070 -11.794 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.185 -12.458 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.013 -10.696 -0.259 1.00 0.00 H new ATOM 921 N MET A 61 2.169 -9.289 0.567 1.00 0.00 N ATOM 922 CA MET A 61 3.143 -8.201 0.425 1.00 0.00 C ATOM 923 C MET A 61 4.216 -8.267 1.516 1.00 0.00 C ATOM 924 O MET A 61 5.401 -8.156 1.214 1.00 0.00 O ATOM 925 CB MET A 61 2.467 -6.820 0.446 1.00 0.00 C ATOM 926 CG MET A 61 1.841 -6.447 1.776 1.00 0.00 C ATOM 927 SD MET A 61 1.450 -4.690 1.906 1.00 0.00 S ATOM 928 CE MET A 61 0.276 -4.499 0.576 1.00 0.00 C ATOM 0 H MET A 61 1.193 -8.992 0.567 1.00 0.00 H new ATOM 0 HA MET A 61 3.619 -8.335 -0.546 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.206 -6.064 0.182 1.00 0.00 H new ATOM 0 HB3 MET A 61 1.696 -6.795 -0.324 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.929 -7.027 1.917 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.522 -6.722 2.581 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.202 -3.522 0.650 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.793 -4.578 -0.380 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.481 -5.280 0.644 1.00 0.00 H new ATOM 938 N SER A 62 3.810 -8.469 2.773 1.00 0.00 N ATOM 939 CA SER A 62 4.769 -8.504 3.886 1.00 0.00 C ATOM 940 C SER A 62 5.688 -9.729 3.806 1.00 0.00 C ATOM 941 O SER A 62 6.679 -9.820 4.533 1.00 0.00 O ATOM 942 CB SER A 62 4.051 -8.450 5.244 1.00 0.00 C ATOM 943 OG SER A 62 3.147 -9.525 5.411 1.00 0.00 O ATOM 0 H SER A 62 2.837 -8.609 3.046 1.00 0.00 H new ATOM 0 HA SER A 62 5.394 -7.615 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.790 -8.470 6.045 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.512 -7.507 5.331 1.00 0.00 H new ATOM 0 HG SER A 62 3.259 -10.164 4.677 1.00 0.00 H new ATOM 949 N VAL A 63 5.342 -10.677 2.946 1.00 0.00 N ATOM 950 CA VAL A 63 6.232 -11.794 2.639 1.00 0.00 C ATOM 951 C VAL A 63 7.253 -11.378 1.579 1.00 0.00 C ATOM 952 O VAL A 63 8.448 -11.661 1.699 1.00 0.00 O ATOM 953 CB VAL A 63 5.452 -13.030 2.129 1.00 0.00 C ATOM 954 CG1 VAL A 63 6.406 -14.121 1.669 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.522 -13.563 3.206 1.00 0.00 C ATOM 0 H VAL A 63 4.452 -10.697 2.447 1.00 0.00 H new ATOM 0 HA VAL A 63 6.740 -12.065 3.565 1.00 0.00 H new ATOM 0 HB VAL A 63 4.850 -12.717 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.834 -14.979 1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.029 -13.742 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.039 -14.426 2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.984 -14.431 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.105 -13.852 4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.808 -12.788 3.486 1.00 0.00 H new ATOM 965 N TYR A 64 6.770 -10.696 0.544 1.00 0.00 N ATOM 966 CA TYR A 64 7.620 -10.265 -0.562 1.00 0.00 C ATOM 967 C TYR A 64 8.617 -9.196 -0.128 1.00 0.00 C ATOM 968 O TYR A 64 9.796 -9.264 -0.474 1.00 0.00 O ATOM 969 CB TYR A 64 6.768 -9.759 -1.724 1.00 0.00 C ATOM 970 CG TYR A 64 6.487 -10.817 -2.769 1.00 0.00 C ATOM 971 CD1 TYR A 64 5.553 -11.821 -2.547 1.00 0.00 C ATOM 972 CD2 TYR A 64 7.164 -10.808 -3.983 1.00 0.00 C ATOM 973 CE1 TYR A 64 5.304 -12.787 -3.507 1.00 0.00 C ATOM 974 CE2 TYR A 64 6.918 -11.767 -4.945 1.00 0.00 C ATOM 975 CZ TYR A 64 5.988 -12.754 -4.702 1.00 0.00 C ATOM 976 OH TYR A 64 5.748 -13.714 -5.661 1.00 0.00 O ATOM 0 H TYR A 64 5.790 -10.429 0.448 1.00 0.00 H new ATOM 0 HA TYR A 64 8.192 -11.132 -0.893 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.822 -9.383 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.275 -8.918 -2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.013 -11.848 -1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.895 -10.037 -4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.577 -13.563 -3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.452 -11.744 -5.883 1.00 0.00 H new ATOM 0 HH TYR A 64 6.313 -13.544 -6.443 1.00 0.00 H new ATOM 986 N PHE A 65 8.153 -8.210 0.624 1.00 0.00 N ATOM 987 CA PHE A 65 9.047 -7.188 1.145 1.00 0.00 C ATOM 988 C PHE A 65 9.345 -7.459 2.613 1.00 0.00 C ATOM 989 O PHE A 65 8.704 -8.299 3.242 1.00 0.00 O ATOM 990 CB PHE A 65 8.461 -5.772 0.958 1.00 0.00 C ATOM 991 CG PHE A 65 7.139 -5.526 1.633 1.00 0.00 C ATOM 992 CD1 PHE A 65 6.988 -5.688 3.003 1.00 0.00 C ATOM 993 CD2 PHE A 65 6.046 -5.117 0.894 1.00 0.00 C ATOM 994 CE1 PHE A 65 5.774 -5.452 3.614 1.00 0.00 C ATOM 995 CE2 PHE A 65 4.832 -4.877 1.502 1.00 0.00 C ATOM 996 CZ PHE A 65 4.696 -5.046 2.861 1.00 0.00 C ATOM 0 H PHE A 65 7.174 -8.096 0.885 1.00 0.00 H new ATOM 0 HA PHE A 65 9.978 -7.231 0.580 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.182 -5.046 1.334 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.345 -5.583 -0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.832 -6.003 3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.144 -4.984 -0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.670 -5.586 4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.987 -4.556 0.911 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.744 -4.860 3.336 1.00 0.00 H new ATOM 1006 N THR A 66 10.317 -6.755 3.150 1.00 0.00 N ATOM 1007 CA THR A 66 10.649 -6.867 4.553 1.00 0.00 C ATOM 1008 C THR A 66 10.158 -5.645 5.332 1.00 0.00 C ATOM 1009 O THR A 66 9.610 -4.710 4.740 1.00 0.00 O ATOM 1010 CB THR A 66 12.161 -7.052 4.718 1.00 0.00 C ATOM 1011 OG1 THR A 66 12.843 -6.361 3.663 1.00 0.00 O ATOM 1012 CG2 THR A 66 12.533 -8.527 4.689 1.00 0.00 C ATOM 0 H THR A 66 10.895 -6.094 2.631 1.00 0.00 H new ATOM 0 HA THR A 66 10.144 -7.742 4.962 1.00 0.00 H new ATOM 0 HB THR A 66 12.459 -6.642 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.430 -5.677 4.046 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.611 -8.633 4.808 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.026 -9.046 5.502 1.00 0.00 H new ATOM 0 HG23 THR A 66 12.229 -8.960 3.736 1.00 0.00 H new ATOM 1020 N ASN A 67 10.355 -5.648 6.647 1.00 0.00 N ATOM 1021 CA ASN A 67 9.796 -4.612 7.519 1.00 0.00 C ATOM 1022 C ASN A 67 10.333 -3.226 7.163 1.00 0.00 C ATOM 1023 O ASN A 67 9.562 -2.289 6.927 1.00 0.00 O ATOM 1024 CB ASN A 67 10.096 -4.940 8.985 1.00 0.00 C ATOM 1025 CG ASN A 67 9.470 -3.952 9.955 1.00 0.00 C ATOM 1026 OD1 ASN A 67 8.294 -4.071 10.304 1.00 0.00 O ATOM 1027 ND2 ASN A 67 10.257 -2.999 10.430 1.00 0.00 N ATOM 0 H ASN A 67 10.899 -6.358 7.137 1.00 0.00 H new ATOM 0 HA ASN A 67 8.716 -4.595 7.369 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.731 -5.942 9.209 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.176 -4.953 9.135 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.895 -2.330 11.110 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.225 -2.934 10.116 1.00 0.00 H new ATOM 1034 N GLU A 68 11.651 -3.103 7.116 1.00 0.00 N ATOM 1035 CA GLU A 68 12.287 -1.842 6.752 1.00 0.00 C ATOM 1036 C GLU A 68 11.905 -1.430 5.335 1.00 0.00 C ATOM 1037 O GLU A 68 11.715 -0.248 5.055 1.00 0.00 O ATOM 1038 CB GLU A 68 13.810 -1.949 6.914 1.00 0.00 C ATOM 1039 CG GLU A 68 14.367 -3.344 6.658 1.00 0.00 C ATOM 1040 CD GLU A 68 14.645 -3.630 5.199 1.00 0.00 C ATOM 1041 OE1 GLU A 68 15.762 -3.335 4.728 1.00 0.00 O ATOM 1042 OE2 GLU A 68 13.762 -4.179 4.522 1.00 0.00 O ATOM 0 H GLU A 68 12.302 -3.860 7.325 1.00 0.00 H new ATOM 0 HA GLU A 68 11.929 -1.063 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.287 -1.248 6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.079 -1.642 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.290 -3.467 7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.660 -4.083 7.036 1.00 0.00 H new ATOM 1049 N GLN A 69 11.751 -2.422 4.468 1.00 0.00 N ATOM 1050 CA GLN A 69 11.373 -2.194 3.080 1.00 0.00 C ATOM 1051 C GLN A 69 10.033 -1.490 2.994 1.00 0.00 C ATOM 1052 O GLN A 69 9.862 -0.554 2.220 1.00 0.00 O ATOM 1053 CB GLN A 69 11.286 -3.521 2.326 1.00 0.00 C ATOM 1054 CG GLN A 69 12.083 -3.558 1.032 1.00 0.00 C ATOM 1055 CD GLN A 69 11.568 -2.601 -0.032 1.00 0.00 C ATOM 1056 OE1 GLN A 69 10.259 -2.375 -0.077 1.00 0.00 O flip ATOM 1057 NE2 GLN A 69 12.341 -2.084 -0.835 1.00 0.00 N flip ATOM 0 H GLN A 69 11.884 -3.405 4.706 1.00 0.00 H new ATOM 0 HA GLN A 69 12.139 -1.564 2.627 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.638 -4.320 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.240 -3.730 2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.124 -3.319 1.250 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.066 -4.573 0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 69 13.341 -2.276 -0.776 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.983 -1.463 -1.560 1.00 0.00 H new ATOM 1066 N ILE A 70 9.072 -1.938 3.782 1.00 0.00 N ATOM 1067 CA ILE A 70 7.736 -1.385 3.683 1.00 0.00 C ATOM 1068 C ILE A 70 7.608 -0.085 4.471 1.00 0.00 C ATOM 1069 O ILE A 70 6.691 0.695 4.242 1.00 0.00 O ATOM 1070 CB ILE A 70 6.645 -2.406 4.072 1.00 0.00 C ATOM 1071 CG1 ILE A 70 5.245 -1.826 3.840 1.00 0.00 C ATOM 1072 CG2 ILE A 70 6.796 -2.873 5.509 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.046 -1.272 2.447 1.00 0.00 C ATOM 0 H ILE A 70 9.188 -2.669 4.484 1.00 0.00 H new ATOM 0 HA ILE A 70 7.571 -1.146 2.632 1.00 0.00 H new ATOM 0 HB ILE A 70 6.772 -3.275 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.503 -2.603 4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.063 -1.034 4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.009 -3.590 5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.769 -3.347 5.637 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.718 -2.017 6.180 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.034 -0.878 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.765 -0.472 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.196 -2.066 1.715 1.00 0.00 H new ATOM 1085 N LYS A 71 8.531 0.174 5.386 1.00 0.00 N ATOM 1086 CA LYS A 71 8.659 1.525 5.909 1.00 0.00 C ATOM 1087 C LYS A 71 9.017 2.451 4.754 1.00 0.00 C ATOM 1088 O LYS A 71 8.415 3.521 4.570 1.00 0.00 O ATOM 1089 CB LYS A 71 9.725 1.620 7.004 1.00 0.00 C ATOM 1090 CG LYS A 71 9.242 1.202 8.385 1.00 0.00 C ATOM 1091 CD LYS A 71 10.290 1.512 9.445 1.00 0.00 C ATOM 1092 CE LYS A 71 9.797 1.197 10.850 1.00 0.00 C ATOM 1093 NZ LYS A 71 8.627 2.029 11.245 1.00 0.00 N ATOM 0 H LYS A 71 9.183 -0.509 5.771 1.00 0.00 H new ATOM 0 HA LYS A 71 7.711 1.816 6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.573 0.996 6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.088 2.647 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.314 1.722 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.020 0.135 8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.192 0.936 9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.564 2.565 9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.525 0.143 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.608 1.357 11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.467 1.940 12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.813 3.025 11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.782 1.704 10.733 1.00 0.00 H new ATOM 1107 N GLU A 72 9.981 1.997 3.952 1.00 0.00 N ATOM 1108 CA GLU A 72 10.423 2.728 2.777 1.00 0.00 C ATOM 1109 C GLU A 72 9.253 2.983 1.839 1.00 0.00 C ATOM 1110 O GLU A 72 9.004 4.124 1.453 1.00 0.00 O ATOM 1111 CB GLU A 72 11.533 1.963 2.044 1.00 0.00 C ATOM 1112 CG GLU A 72 12.757 1.679 2.905 1.00 0.00 C ATOM 1113 CD GLU A 72 13.807 0.853 2.185 1.00 0.00 C ATOM 1114 OE1 GLU A 72 14.598 1.433 1.408 1.00 0.00 O ATOM 1115 OE2 GLU A 72 13.859 -0.377 2.395 1.00 0.00 O ATOM 0 H GLU A 72 10.472 1.116 4.103 1.00 0.00 H new ATOM 0 HA GLU A 72 10.825 3.686 3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.130 1.018 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.841 2.537 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.199 2.624 3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.446 1.154 3.808 1.00 0.00 H new ATOM 1122 N ILE A 73 8.514 1.929 1.491 1.00 0.00 N ATOM 1123 CA ILE A 73 7.369 2.086 0.602 1.00 0.00 C ATOM 1124 C ILE A 73 6.250 2.857 1.289 1.00 0.00 C ATOM 1125 O ILE A 73 5.412 3.435 0.621 1.00 0.00 O ATOM 1126 CB ILE A 73 6.773 0.754 0.091 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.794 -0.371 0.100 1.00 0.00 C ATOM 1128 CG2 ILE A 73 6.242 0.943 -1.318 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.231 -1.714 -0.316 1.00 0.00 C ATOM 0 H ILE A 73 8.685 0.974 1.806 1.00 0.00 H new ATOM 0 HA ILE A 73 7.763 2.630 -0.256 1.00 0.00 H new ATOM 0 HB ILE A 73 5.965 0.474 0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.614 -0.109 -0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.214 -0.459 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.822 0.004 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.467 1.709 -1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.055 1.252 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.020 -2.465 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.430 -2.000 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.837 -1.645 -1.330 1.00 0.00 H new ATOM 1141 N HIS A 74 6.222 2.860 2.618 1.00 0.00 N ATOM 1142 CA HIS A 74 5.180 3.580 3.340 1.00 0.00 C ATOM 1143 C HIS A 74 5.280 5.070 3.066 1.00 0.00 C ATOM 1144 O HIS A 74 4.315 5.687 2.630 1.00 0.00 O ATOM 1145 CB HIS A 74 5.248 3.326 4.848 1.00 0.00 C ATOM 1146 CG HIS A 74 4.209 4.081 5.624 1.00 0.00 C ATOM 1147 ND1 HIS A 74 4.509 4.868 6.710 1.00 0.00 N ATOM 1148 CD2 HIS A 74 2.868 4.173 5.453 1.00 0.00 C ATOM 1149 CE1 HIS A 74 3.400 5.414 7.175 1.00 0.00 C ATOM 1150 NE2 HIS A 74 2.386 5.009 6.429 1.00 0.00 N ATOM 0 H HIS A 74 6.899 2.379 3.210 1.00 0.00 H new ATOM 0 HA HIS A 74 4.221 3.206 2.980 1.00 0.00 H new ATOM 0 HB2 HIS A 74 5.128 2.259 5.036 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.237 3.604 5.212 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.286 3.679 4.689 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.333 6.080 8.023 1.00 0.00 H new ATOM 0 HE2 HIS A 74 1.409 5.274 6.557 1.00 0.00 H new ATOM 1159 N ASP A 75 6.450 5.651 3.296 1.00 0.00 N ATOM 1160 CA ASP A 75 6.629 7.064 3.034 1.00 0.00 C ATOM 1161 C ASP A 75 6.703 7.286 1.541 1.00 0.00 C ATOM 1162 O ASP A 75 6.371 8.351 1.033 1.00 0.00 O ATOM 1163 CB ASP A 75 7.874 7.597 3.735 1.00 0.00 C ATOM 1164 CG ASP A 75 7.629 7.820 5.211 1.00 0.00 C ATOM 1165 OD1 ASP A 75 7.087 8.886 5.572 1.00 0.00 O ATOM 1166 OD2 ASP A 75 7.951 6.926 6.014 1.00 0.00 O ATOM 0 H ASP A 75 7.274 5.171 3.658 1.00 0.00 H new ATOM 0 HA ASP A 75 5.777 7.614 3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.696 6.893 3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.181 8.534 3.271 1.00 0.00 H new ATOM 1171 N ALA A 76 7.111 6.247 0.841 1.00 0.00 N ATOM 1172 CA ALA A 76 7.132 6.267 -0.600 1.00 0.00 C ATOM 1173 C ALA A 76 5.719 6.296 -1.165 1.00 0.00 C ATOM 1174 O ALA A 76 5.477 6.884 -2.191 1.00 0.00 O ATOM 1175 CB ALA A 76 7.892 5.065 -1.130 1.00 0.00 C ATOM 0 H ALA A 76 7.434 5.373 1.255 1.00 0.00 H new ATOM 0 HA ALA A 76 7.642 7.175 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.901 5.092 -2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.916 5.089 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.406 4.150 -0.793 1.00 0.00 H new ATOM 1181 N ALA A 77 4.784 5.662 -0.499 1.00 0.00 N ATOM 1182 CA ALA A 77 3.429 5.595 -1.014 1.00 0.00 C ATOM 1183 C ALA A 77 2.534 6.669 -0.418 1.00 0.00 C ATOM 1184 O ALA A 77 1.663 7.202 -1.092 1.00 0.00 O ATOM 1185 CB ALA A 77 2.851 4.222 -0.780 1.00 0.00 C ATOM 0 H ALA A 77 4.929 5.188 0.392 1.00 0.00 H new ATOM 0 HA ALA A 77 3.475 5.782 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.834 4.184 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.463 3.478 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.837 4.010 0.289 1.00 0.00 H new ATOM 1191 N THR A 78 2.741 6.998 0.840 1.00 0.00 N ATOM 1192 CA THR A 78 1.939 8.029 1.468 1.00 0.00 C ATOM 1193 C THR A 78 2.396 9.398 0.979 1.00 0.00 C ATOM 1194 O THR A 78 1.581 10.266 0.664 1.00 0.00 O ATOM 1195 CB THR A 78 2.013 7.949 3.006 1.00 0.00 C ATOM 1196 OG1 THR A 78 1.573 6.656 3.444 1.00 0.00 O ATOM 1197 CG2 THR A 78 1.152 9.024 3.655 1.00 0.00 C ATOM 0 H THR A 78 3.447 6.574 1.442 1.00 0.00 H new ATOM 0 HA THR A 78 0.898 7.873 1.187 1.00 0.00 H new ATOM 0 HB THR A 78 3.049 8.111 3.305 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.606 6.576 3.308 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.224 8.942 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.500 10.008 3.341 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.114 8.892 3.350 1.00 0.00 H new ATOM 1205 N ALA A 79 3.706 9.578 0.897 1.00 0.00 N ATOM 1206 CA ALA A 79 4.264 10.820 0.402 1.00 0.00 C ATOM 1207 C ALA A 79 4.644 10.726 -1.068 1.00 0.00 C ATOM 1208 O ALA A 79 5.074 11.715 -1.658 1.00 0.00 O ATOM 1209 CB ALA A 79 5.472 11.231 1.218 1.00 0.00 C ATOM 0 H ALA A 79 4.398 8.879 1.167 1.00 0.00 H new ATOM 0 HA ALA A 79 3.488 11.579 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.874 12.166 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.178 11.369 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.234 10.455 1.156 1.00 0.00 H new ATOM 1215 N CYS A 80 4.507 9.521 -1.649 1.00 0.00 N ATOM 1216 CA CYS A 80 4.916 9.262 -3.021 1.00 0.00 C ATOM 1217 C CYS A 80 6.382 9.646 -3.200 1.00 0.00 C ATOM 1218 O CYS A 80 6.781 10.296 -4.163 1.00 0.00 O ATOM 1219 CB CYS A 80 3.954 9.860 -4.067 1.00 0.00 C ATOM 1220 SG CYS A 80 3.067 11.389 -3.586 1.00 0.00 S ATOM 0 H CYS A 80 4.110 8.710 -1.175 1.00 0.00 H new ATOM 0 HA CYS A 80 4.843 8.192 -3.214 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.522 10.067 -4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.213 9.102 -4.321 1.00 0.00 H new ATOM 1225 N ASP A 81 7.173 9.168 -2.226 1.00 0.00 N ATOM 1226 CA ASP A 81 8.600 9.459 -2.111 1.00 0.00 C ATOM 1227 C ASP A 81 9.420 8.202 -1.850 1.00 0.00 C ATOM 1228 O ASP A 81 9.769 7.928 -0.700 1.00 0.00 O ATOM 1229 CB ASP A 81 8.848 10.392 -0.926 1.00 0.00 C ATOM 1230 CG ASP A 81 8.556 11.845 -1.227 1.00 0.00 C ATOM 1231 OD1 ASP A 81 8.999 12.336 -2.290 1.00 0.00 O ATOM 1232 OD2 ASP A 81 7.928 12.511 -0.387 1.00 0.00 O ATOM 0 H ASP A 81 6.826 8.558 -1.486 1.00 0.00 H new ATOM 0 HA ASP A 81 8.901 9.910 -3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.230 10.072 -0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.887 10.297 -0.611 1.00 0.00 H new