USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 790 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 89 THR OG1 : rot -82:sc= 0.928 USER MOD Set 1.2: A 102 ASN :FLIP amide:sc= 0.808 F(o=0.24,f=1.7) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0.613 USER MOD Set 2.2: A 100 THR OG1 : rot -96:sc= 0.686 USER MOD Set 3.1: A 66 TYR OH : rot 30:sc= 0.993 USER MOD Set 3.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 57 GLN : amide:sc= -0.212 K(o=-1.2,f=-1.7) USER MOD Set 4.2: A 59 ASN : amide:sc= -1.01! C(o=-1.2!,f=-4.3!) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0.832 (180deg=0.716) USER MOD Single : A 17 MET CE :methyl 159:sc= 0 (180deg=-0.634) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= -2.54! (180deg=-4.4!) USER MOD Single : A 23 GLN : amide:sc= -0.573! C(o=-0.57!,f=-9.1!) USER MOD Single : A 24 SER OG : rot 27:sc= 0.246 USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.045) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= -0.0108 (180deg=-0.144) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot -150:sc= -0.164 USER MOD Single : A 38 GLN : amide:sc= -1.91 K(o=-1.9,f=-3.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0924 K(o=-0.092,f=-2!) USER MOD Single : A 53 ASN : amide:sc=-0.00261 K(o=-0.0026,f=-0.7) USER MOD Single : A 55 MET CE :methyl -152:sc= -0.225 (180deg=-1.01) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.7!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 70 THR OG1 : rot -41:sc= 0.838 USER MOD Single : A 78 LYS NZ :NH3+ -128:sc= 0.231 (180deg=-0.963) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.343 F(o=-3.3!,f=-0.34) USER MOD Single : A 82 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.15) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -5.65! C(o=-5.6!,f=-16!) USER MOD Single : A 99 THR OG1 : rot -91:sc= 0.555 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.325! USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0883 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 13 16.522 -16.339 7.416 1.00 24.01 N ATOM 198 CA LYS A 13 15.769 -15.889 6.240 1.00 22.42 C ATOM 199 C LYS A 13 14.309 -16.369 6.285 1.00 2.40 C ATOM 200 O LYS A 13 14.037 -17.523 6.624 1.00 24.43 O ATOM 201 CB LYS A 13 16.464 -16.365 4.953 1.00 50.51 C ATOM 202 CG LYS A 13 17.928 -15.922 4.862 1.00 31.32 C ATOM 203 CD LYS A 13 18.562 -16.250 3.512 1.00 11.11 C ATOM 204 CE LYS A 13 20.053 -15.916 3.494 1.00 71.32 C ATOM 205 NZ LYS A 13 20.317 -14.482 3.798 1.00 23.31 N ATOM 0 HA LYS A 13 15.751 -14.799 6.247 1.00 22.42 H new ATOM 0 HB2 LYS A 13 16.416 -17.453 4.902 1.00 50.51 H new ATOM 0 HB3 LYS A 13 15.920 -15.981 4.090 1.00 50.51 H new ATOM 0 HG2 LYS A 13 17.989 -14.848 5.036 1.00 31.32 H new ATOM 0 HG3 LYS A 13 18.499 -16.406 5.654 1.00 31.32 H new ATOM 0 HD2 LYS A 13 18.423 -17.308 3.292 1.00 11.11 H new ATOM 0 HD3 LYS A 13 18.054 -15.692 2.726 1.00 11.11 H new ATOM 0 HE2 LYS A 13 20.571 -16.540 4.222 1.00 71.32 H new ATOM 0 HE3 LYS A 13 20.465 -16.159 2.515 1.00 71.32 H new ATOM 0 HZ1 LYS A 13 21.343 -14.312 3.807 1.00 23.31 H new ATOM 0 HZ2 LYS A 13 19.874 -13.886 3.070 1.00 23.31 H new ATOM 0 HZ3 LYS A 13 19.919 -14.245 4.729 1.00 23.31 H new ATOM 219 N ARG A 14 13.372 -15.476 5.975 1.00 14.12 N ATOM 220 CA ARG A 14 11.953 -15.834 5.890 1.00 42.41 C ATOM 221 C ARG A 14 11.293 -15.157 4.679 1.00 41.31 C ATOM 222 O ARG A 14 11.381 -13.935 4.519 1.00 71.33 O ATOM 223 CB ARG A 14 11.220 -15.436 7.183 1.00 31.41 C ATOM 224 CG ARG A 14 9.849 -16.088 7.341 1.00 23.32 C ATOM 225 CD ARG A 14 9.961 -17.610 7.405 1.00 14.25 C ATOM 226 NE ARG A 14 8.674 -18.269 7.618 1.00 1.44 N ATOM 227 CZ ARG A 14 8.536 -19.561 7.757 1.00 21.22 C ATOM 228 NH1 ARG A 14 9.568 -20.344 7.685 1.00 21.00 N ATOM 229 NH2 ARG A 14 7.367 -20.068 7.970 1.00 64.13 N ATOM 0 H ARG A 14 13.568 -14.495 5.777 1.00 14.12 H new ATOM 0 HA ARG A 14 11.882 -16.914 5.764 1.00 42.41 H new ATOM 0 HB2 ARG A 14 11.840 -15.705 8.038 1.00 31.41 H new ATOM 0 HB3 ARG A 14 11.101 -14.353 7.203 1.00 31.41 H new ATOM 0 HG2 ARG A 14 9.371 -15.718 8.248 1.00 23.32 H new ATOM 0 HG3 ARG A 14 9.210 -15.803 6.505 1.00 23.32 H new ATOM 0 HD2 ARG A 14 10.401 -17.976 6.477 1.00 14.25 H new ATOM 0 HD3 ARG A 14 10.642 -17.885 8.211 1.00 14.25 H new ATOM 0 HE ARG A 14 7.837 -17.688 7.661 1.00 1.44 H new ATOM 0 HH11 ARG A 14 10.495 -19.952 7.519 1.00 21.00 H new ATOM 0 HH12 ARG A 14 9.452 -21.351 7.795 1.00 21.00 H new ATOM 0 HH21 ARG A 14 6.550 -19.460 8.030 1.00 64.13 H new ATOM 0 HH22 ARG A 14 7.261 -21.077 8.078 1.00 64.13 H new ATOM 243 N ALA A 15 10.644 -15.951 3.827 1.00 54.23 N ATOM 244 CA ALA A 15 9.933 -15.415 2.660 1.00 74.22 C ATOM 245 C ALA A 15 8.719 -14.566 3.083 1.00 42.23 C ATOM 246 O ALA A 15 7.986 -14.936 3.999 1.00 52.14 O ATOM 247 CB ALA A 15 9.492 -16.548 1.738 1.00 52.41 C ATOM 0 H ALA A 15 10.594 -16.966 3.920 1.00 54.23 H new ATOM 0 HA ALA A 15 10.623 -14.767 2.119 1.00 74.22 H new ATOM 0 HB1 ALA A 15 8.966 -16.133 0.878 1.00 52.41 H new ATOM 0 HB2 ALA A 15 10.367 -17.101 1.397 1.00 52.41 H new ATOM 0 HB3 ALA A 15 8.827 -17.220 2.280 1.00 52.41 H new ATOM 253 N PRO A 16 8.492 -13.414 2.418 1.00 24.15 N ATOM 254 CA PRO A 16 7.379 -12.504 2.756 1.00 62.10 C ATOM 255 C PRO A 16 5.992 -13.148 2.577 1.00 72.31 C ATOM 256 O PRO A 16 5.702 -13.767 1.549 1.00 15.12 O ATOM 257 CB PRO A 16 7.568 -11.331 1.776 1.00 1.54 C ATOM 258 CG PRO A 16 8.372 -11.897 0.654 1.00 30.50 C ATOM 259 CD PRO A 16 9.291 -12.901 1.291 1.00 30.24 C ATOM 0 HA PRO A 16 7.405 -12.212 3.806 1.00 62.10 H new ATOM 0 HB2 PRO A 16 6.609 -10.952 1.423 1.00 1.54 H new ATOM 0 HB3 PRO A 16 8.085 -10.498 2.252 1.00 1.54 H new ATOM 0 HG2 PRO A 16 7.731 -12.368 -0.091 1.00 30.50 H new ATOM 0 HG3 PRO A 16 8.936 -11.117 0.142 1.00 30.50 H new ATOM 0 HD2 PRO A 16 9.565 -13.695 0.596 1.00 30.24 H new ATOM 0 HD3 PRO A 16 10.219 -12.440 1.631 1.00 30.24 H new ATOM 267 N MET A 17 5.141 -12.992 3.591 1.00 41.21 N ATOM 268 CA MET A 17 3.782 -13.547 3.574 1.00 34.45 C ATOM 269 C MET A 17 2.747 -12.523 4.075 1.00 71.02 C ATOM 270 O MET A 17 2.923 -11.919 5.135 1.00 74.11 O ATOM 271 CB MET A 17 3.738 -14.814 4.445 1.00 12.42 C ATOM 272 CG MET A 17 2.333 -15.321 4.748 1.00 65.11 C ATOM 273 SD MET A 17 1.363 -15.641 3.259 1.00 2.20 S ATOM 274 CE MET A 17 -0.211 -16.092 3.990 1.00 70.32 C ATOM 0 H MET A 17 5.369 -12.481 4.444 1.00 41.21 H new ATOM 0 HA MET A 17 3.526 -13.797 2.545 1.00 34.45 H new ATOM 0 HB2 MET A 17 4.296 -15.605 3.943 1.00 12.42 H new ATOM 0 HB3 MET A 17 4.249 -14.611 5.386 1.00 12.42 H new ATOM 0 HG2 MET A 17 2.402 -16.237 5.334 1.00 65.11 H new ATOM 0 HG3 MET A 17 1.813 -14.587 5.363 1.00 65.11 H new ATOM 0 HE1 MET A 17 -1.005 -15.959 3.255 1.00 70.32 H new ATOM 0 HE2 MET A 17 -0.180 -17.135 4.306 1.00 70.32 H new ATOM 0 HE3 MET A 17 -0.406 -15.457 4.854 1.00 70.32 H new ATOM 284 N PHE A 18 1.674 -12.330 3.302 1.00 75.11 N ATOM 285 CA PHE A 18 0.566 -11.454 3.708 1.00 60.24 C ATOM 286 C PHE A 18 -0.336 -12.142 4.743 1.00 12.24 C ATOM 287 O PHE A 18 -1.125 -13.025 4.409 1.00 64.23 O ATOM 288 CB PHE A 18 -0.285 -11.040 2.496 1.00 62.24 C ATOM 289 CG PHE A 18 0.326 -9.961 1.637 1.00 75.12 C ATOM 290 CD1 PHE A 18 0.087 -8.620 1.917 1.00 61.42 C ATOM 291 CD2 PHE A 18 1.113 -10.279 0.541 1.00 23.24 C ATOM 292 CE1 PHE A 18 0.627 -7.626 1.124 1.00 11.13 C ATOM 293 CE2 PHE A 18 1.658 -9.286 -0.252 1.00 5.43 C ATOM 294 CZ PHE A 18 1.411 -7.959 0.037 1.00 42.31 C ATOM 0 H PHE A 18 1.547 -12.769 2.390 1.00 75.11 H new ATOM 0 HA PHE A 18 1.010 -10.565 4.156 1.00 60.24 H new ATOM 0 HB2 PHE A 18 -0.465 -11.920 1.878 1.00 62.24 H new ATOM 0 HB3 PHE A 18 -1.256 -10.696 2.851 1.00 62.24 H new ATOM 0 HD1 PHE A 18 -0.528 -8.353 2.764 1.00 61.42 H new ATOM 0 HD2 PHE A 18 1.303 -11.315 0.304 1.00 23.24 H new ATOM 0 HE1 PHE A 18 0.436 -6.588 1.354 1.00 11.13 H new ATOM 0 HE2 PHE A 18 2.277 -9.549 -1.097 1.00 5.43 H new ATOM 0 HZ PHE A 18 1.830 -7.183 -0.586 1.00 42.31 H new ATOM 304 N ILE A 19 -0.219 -11.727 5.996 1.00 51.05 N ATOM 305 CA ILE A 19 -1.057 -12.264 7.072 1.00 40.23 C ATOM 306 C ILE A 19 -2.469 -11.650 7.029 1.00 71.25 C ATOM 307 O ILE A 19 -3.457 -12.297 7.380 1.00 35.31 O ATOM 308 CB ILE A 19 -0.418 -11.996 8.458 1.00 14.22 C ATOM 309 CG1 ILE A 19 1.071 -12.386 8.444 1.00 73.41 C ATOM 310 CG2 ILE A 19 -1.168 -12.764 9.547 1.00 23.31 C ATOM 311 CD1 ILE A 19 1.798 -12.096 9.742 1.00 32.13 C ATOM 0 H ILE A 19 0.449 -11.018 6.299 1.00 51.05 H new ATOM 0 HA ILE A 19 -1.134 -13.341 6.920 1.00 40.23 H new ATOM 0 HB ILE A 19 -0.492 -10.931 8.678 1.00 14.22 H new ATOM 0 HG12 ILE A 19 1.155 -13.450 8.223 1.00 73.41 H new ATOM 0 HG13 ILE A 19 1.568 -11.852 7.634 1.00 73.41 H new ATOM 0 HG21 ILE A 19 -0.708 -12.566 10.515 1.00 23.31 H new ATOM 0 HG22 ILE A 19 -2.209 -12.442 9.568 1.00 23.31 H new ATOM 0 HG23 ILE A 19 -1.123 -13.832 9.336 1.00 23.31 H new ATOM 0 HD11 ILE A 19 2.841 -12.399 9.650 1.00 32.13 H new ATOM 0 HD12 ILE A 19 1.748 -11.028 9.956 1.00 32.13 H new ATOM 0 HD13 ILE A 19 1.329 -12.651 10.554 1.00 32.13 H new ATOM 323 N TYR A 20 -2.550 -10.398 6.587 1.00 53.04 N ATOM 324 CA TYR A 20 -3.835 -9.700 6.422 1.00 44.54 C ATOM 325 C TYR A 20 -3.893 -8.999 5.059 1.00 0.34 C ATOM 326 O TYR A 20 -2.886 -8.467 4.587 1.00 34.04 O ATOM 327 CB TYR A 20 -4.041 -8.645 7.522 1.00 13.41 C ATOM 328 CG TYR A 20 -4.080 -9.188 8.939 1.00 73.40 C ATOM 329 CD1 TYR A 20 -5.244 -9.728 9.475 1.00 50.20 C ATOM 330 CD2 TYR A 20 -2.953 -9.135 9.749 1.00 65.14 C ATOM 331 CE1 TYR A 20 -5.282 -10.194 10.776 1.00 15.21 C ATOM 332 CE2 TYR A 20 -2.981 -9.603 11.045 1.00 32.11 C ATOM 333 CZ TYR A 20 -4.145 -10.131 11.556 1.00 3.32 C ATOM 334 OH TYR A 20 -4.173 -10.580 12.857 1.00 13.23 O ATOM 0 H TYR A 20 -1.737 -9.837 6.333 1.00 53.04 H new ATOM 0 HA TYR A 20 -4.622 -10.451 6.491 1.00 44.54 H new ATOM 0 HB2 TYR A 20 -3.239 -7.910 7.453 1.00 13.41 H new ATOM 0 HB3 TYR A 20 -4.974 -8.117 7.326 1.00 13.41 H new ATOM 0 HD1 TYR A 20 -6.133 -9.784 8.865 1.00 50.20 H new ATOM 0 HD2 TYR A 20 -2.037 -8.719 9.356 1.00 65.14 H new ATOM 0 HE1 TYR A 20 -6.196 -10.605 11.180 1.00 15.21 H new ATOM 0 HE2 TYR A 20 -2.093 -9.556 11.658 1.00 32.11 H new ATOM 0 HH TYR A 20 -3.288 -10.464 13.262 1.00 13.23 H new ATOM 344 N LYS A 21 -5.068 -8.993 4.437 1.00 42.21 N ATOM 345 CA LYS A 21 -5.262 -8.293 3.162 1.00 41.21 C ATOM 346 C LYS A 21 -5.670 -6.824 3.390 1.00 2.11 C ATOM 347 O LYS A 21 -6.396 -6.513 4.337 1.00 4.35 O ATOM 348 CB LYS A 21 -6.312 -9.021 2.307 1.00 35.43 C ATOM 349 CG LYS A 21 -7.698 -9.111 2.947 1.00 41.42 C ATOM 350 CD LYS A 21 -8.663 -9.975 2.128 1.00 35.13 C ATOM 351 CE LYS A 21 -8.396 -11.476 2.287 1.00 71.42 C ATOM 352 NZ LYS A 21 -7.047 -11.885 1.801 1.00 54.11 N ATOM 0 H LYS A 21 -5.902 -9.463 4.791 1.00 42.21 H new ATOM 0 HA LYS A 21 -4.313 -8.296 2.626 1.00 41.21 H new ATOM 0 HB2 LYS A 21 -6.401 -8.509 1.349 1.00 35.43 H new ATOM 0 HB3 LYS A 21 -5.956 -10.030 2.098 1.00 35.43 H new ATOM 0 HG2 LYS A 21 -7.606 -9.526 3.951 1.00 41.42 H new ATOM 0 HG3 LYS A 21 -8.112 -8.108 3.053 1.00 41.42 H new ATOM 0 HD2 LYS A 21 -9.687 -9.758 2.434 1.00 35.13 H new ATOM 0 HD3 LYS A 21 -8.581 -9.705 1.075 1.00 35.13 H new ATOM 0 HE2 LYS A 21 -8.494 -11.747 3.338 1.00 71.42 H new ATOM 0 HE3 LYS A 21 -9.157 -12.034 1.741 1.00 71.42 H new ATOM 0 HZ1 LYS A 21 -7.081 -12.871 1.471 1.00 54.11 H new ATOM 0 HZ2 LYS A 21 -6.758 -11.267 1.016 1.00 54.11 H new ATOM 0 HZ3 LYS A 21 -6.359 -11.804 2.577 1.00 54.11 H new ATOM 366 N PRO A 22 -5.200 -5.900 2.525 1.00 74.23 N ATOM 367 CA PRO A 22 -5.509 -4.461 2.647 1.00 21.11 C ATOM 368 C PRO A 22 -7.017 -4.159 2.551 1.00 1.31 C ATOM 369 O PRO A 22 -7.734 -4.738 1.730 1.00 71.51 O ATOM 370 CB PRO A 22 -4.747 -3.826 1.470 1.00 54.51 C ATOM 371 CG PRO A 22 -4.512 -4.950 0.516 1.00 20.31 C ATOM 372 CD PRO A 22 -4.334 -6.176 1.366 1.00 43.25 C ATOM 0 HA PRO A 22 -5.215 -4.069 3.621 1.00 21.11 H new ATOM 0 HB2 PRO A 22 -5.328 -3.029 1.007 1.00 54.51 H new ATOM 0 HB3 PRO A 22 -3.807 -3.384 1.800 1.00 54.51 H new ATOM 0 HG2 PRO A 22 -5.354 -5.066 -0.167 1.00 20.31 H new ATOM 0 HG3 PRO A 22 -3.629 -4.766 -0.095 1.00 20.31 H new ATOM 0 HD2 PRO A 22 -4.639 -7.080 0.840 1.00 43.25 H new ATOM 0 HD3 PRO A 22 -3.294 -6.315 1.662 1.00 43.25 H new ATOM 380 N GLN A 23 -7.487 -3.229 3.377 1.00 44.11 N ATOM 381 CA GLN A 23 -8.919 -2.921 3.472 1.00 41.13 C ATOM 382 C GLN A 23 -9.328 -1.779 2.521 1.00 23.23 C ATOM 383 O GLN A 23 -8.877 -0.642 2.649 1.00 71.34 O ATOM 384 CB GLN A 23 -9.314 -2.585 4.929 1.00 53.23 C ATOM 385 CG GLN A 23 -8.581 -1.393 5.562 1.00 31.43 C ATOM 386 CD GLN A 23 -7.117 -1.673 5.875 1.00 2.23 C ATOM 387 OE1 GLN A 23 -6.229 -1.420 5.066 1.00 62.52 O ATOM 388 NE2 GLN A 23 -6.854 -2.219 7.043 1.00 24.33 N ATOM 0 H GLN A 23 -6.898 -2.671 3.995 1.00 44.11 H new ATOM 0 HA GLN A 23 -9.462 -3.814 3.161 1.00 41.13 H new ATOM 0 HB2 GLN A 23 -10.385 -2.386 4.958 1.00 53.23 H new ATOM 0 HB3 GLN A 23 -9.136 -3.466 5.546 1.00 53.23 H new ATOM 0 HG2 GLN A 23 -8.643 -0.539 4.887 1.00 31.43 H new ATOM 0 HG3 GLN A 23 -9.093 -1.110 6.482 1.00 31.43 H new ATOM 0 HE21 GLN A 23 -7.612 -2.418 7.695 1.00 24.33 H new ATOM 0 HE22 GLN A 23 -5.892 -2.443 7.296 1.00 24.33 H new ATOM 397 N SER A 24 -10.191 -2.106 1.562 1.00 62.24 N ATOM 398 CA SER A 24 -10.684 -1.126 0.585 1.00 2.45 C ATOM 399 C SER A 24 -11.689 -0.158 1.221 1.00 2.11 C ATOM 400 O SER A 24 -12.717 -0.579 1.755 1.00 44.41 O ATOM 401 CB SER A 24 -11.345 -1.844 -0.599 1.00 52.31 C ATOM 402 OG SER A 24 -12.397 -2.701 -0.164 1.00 61.45 O ATOM 0 H SER A 24 -10.568 -3.046 1.437 1.00 62.24 H new ATOM 0 HA SER A 24 -9.827 -0.551 0.233 1.00 2.45 H new ATOM 0 HB2 SER A 24 -11.739 -1.108 -1.299 1.00 52.31 H new ATOM 0 HB3 SER A 24 -10.597 -2.427 -1.137 1.00 52.31 H new ATOM 0 HG SER A 24 -12.767 -2.363 0.678 1.00 61.45 H new ATOM 408 N LYS A 25 -11.396 1.140 1.146 1.00 35.44 N ATOM 409 CA LYS A 25 -12.257 2.171 1.739 1.00 64.22 C ATOM 410 C LYS A 25 -12.761 3.170 0.686 1.00 33.23 C ATOM 411 O LYS A 25 -12.126 3.382 -0.349 1.00 4.41 O ATOM 412 CB LYS A 25 -11.499 2.936 2.833 1.00 30.52 C ATOM 413 CG LYS A 25 -11.110 2.084 4.040 1.00 52.43 C ATOM 414 CD LYS A 25 -10.371 2.903 5.099 1.00 32.55 C ATOM 415 CE LYS A 25 -11.198 4.090 5.593 1.00 52.33 C ATOM 416 NZ LYS A 25 -12.469 3.660 6.233 1.00 75.44 N ATOM 0 H LYS A 25 -10.566 1.507 0.679 1.00 35.44 H new ATOM 0 HA LYS A 25 -13.118 1.660 2.170 1.00 64.22 H new ATOM 0 HB2 LYS A 25 -10.596 3.366 2.400 1.00 30.52 H new ATOM 0 HB3 LYS A 25 -12.116 3.767 3.173 1.00 30.52 H new ATOM 0 HG2 LYS A 25 -12.006 1.646 4.479 1.00 52.43 H new ATOM 0 HG3 LYS A 25 -10.478 1.258 3.713 1.00 52.43 H new ATOM 0 HD2 LYS A 25 -10.121 2.261 5.943 1.00 32.55 H new ATOM 0 HD3 LYS A 25 -9.430 3.265 4.684 1.00 32.55 H new ATOM 0 HE2 LYS A 25 -10.611 4.668 6.307 1.00 52.33 H new ATOM 0 HE3 LYS A 25 -11.420 4.750 4.755 1.00 52.33 H new ATOM 0 HZ1 LYS A 25 -12.957 4.489 6.628 1.00 75.44 H new ATOM 0 HZ2 LYS A 25 -13.078 3.205 5.524 1.00 75.44 H new ATOM 0 HZ3 LYS A 25 -12.262 2.984 6.996 1.00 75.44 H new ATOM 430 N LYS A 26 -13.913 3.780 0.965 1.00 2.53 N ATOM 431 CA LYS A 26 -14.463 4.844 0.117 1.00 1.31 C ATOM 432 C LYS A 26 -14.517 6.182 0.880 1.00 40.33 C ATOM 433 O LYS A 26 -15.184 6.301 1.908 1.00 40.11 O ATOM 434 CB LYS A 26 -15.862 4.455 -0.396 1.00 54.12 C ATOM 435 CG LYS A 26 -16.868 4.125 0.706 1.00 62.41 C ATOM 436 CD LYS A 26 -18.242 3.767 0.144 1.00 23.43 C ATOM 437 CE LYS A 26 -18.860 4.916 -0.645 1.00 24.32 C ATOM 438 NZ LYS A 26 -19.039 6.136 0.186 1.00 41.51 N ATOM 0 H LYS A 26 -14.488 3.555 1.777 1.00 2.53 H new ATOM 0 HA LYS A 26 -13.803 4.971 -0.741 1.00 1.31 H new ATOM 0 HB2 LYS A 26 -16.256 5.274 -0.998 1.00 54.12 H new ATOM 0 HB3 LYS A 26 -15.767 3.592 -1.055 1.00 54.12 H new ATOM 0 HG2 LYS A 26 -16.493 3.293 1.301 1.00 62.41 H new ATOM 0 HG3 LYS A 26 -16.963 4.979 1.377 1.00 62.41 H new ATOM 0 HD2 LYS A 26 -18.152 2.893 -0.501 1.00 23.43 H new ATOM 0 HD3 LYS A 26 -18.907 3.492 0.963 1.00 23.43 H new ATOM 0 HE2 LYS A 26 -18.225 5.150 -1.499 1.00 24.32 H new ATOM 0 HE3 LYS A 26 -19.826 4.604 -1.042 1.00 24.32 H new ATOM 0 HZ1 LYS A 26 -19.612 6.830 -0.335 1.00 41.51 H new ATOM 0 HZ2 LYS A 26 -19.522 5.885 1.072 1.00 41.51 H new ATOM 0 HZ3 LYS A 26 -18.109 6.548 0.403 1.00 41.51 H new ATOM 452 N VAL A 27 -13.809 7.188 0.369 1.00 70.43 N ATOM 453 CA VAL A 27 -13.705 8.494 1.040 1.00 20.04 C ATOM 454 C VAL A 27 -14.285 9.630 0.181 1.00 53.21 C ATOM 455 O VAL A 27 -14.748 9.401 -0.937 1.00 12.31 O ATOM 456 CB VAL A 27 -12.229 8.824 1.382 1.00 22.44 C ATOM 457 CG1 VAL A 27 -11.639 7.765 2.316 1.00 10.25 C ATOM 458 CG2 VAL A 27 -11.390 8.954 0.107 1.00 43.11 C ATOM 0 H VAL A 27 -13.295 7.129 -0.510 1.00 70.43 H new ATOM 0 HA VAL A 27 -14.288 8.420 1.958 1.00 20.04 H new ATOM 0 HB VAL A 27 -12.207 9.783 1.900 1.00 22.44 H new ATOM 0 HG11 VAL A 27 -10.603 8.016 2.543 1.00 10.25 H new ATOM 0 HG12 VAL A 27 -12.215 7.733 3.241 1.00 10.25 H new ATOM 0 HG13 VAL A 27 -11.678 6.790 1.831 1.00 10.25 H new ATOM 0 HG21 VAL A 27 -10.358 9.186 0.372 1.00 43.11 H new ATOM 0 HG22 VAL A 27 -11.420 8.015 -0.446 1.00 43.11 H new ATOM 0 HG23 VAL A 27 -11.793 9.754 -0.514 1.00 43.11 H new ATOM 468 N LEU A 28 -14.280 10.850 0.723 1.00 42.10 N ATOM 469 CA LEU A 28 -14.672 12.048 -0.034 1.00 23.35 C ATOM 470 C LEU A 28 -13.434 12.777 -0.585 1.00 35.13 C ATOM 471 O LEU A 28 -12.302 12.489 -0.191 1.00 50.55 O ATOM 472 CB LEU A 28 -15.487 13.009 0.848 1.00 42.31 C ATOM 473 CG LEU A 28 -16.894 12.525 1.236 1.00 55.35 C ATOM 474 CD1 LEU A 28 -17.555 13.498 2.211 1.00 53.52 C ATOM 475 CD2 LEU A 28 -17.762 12.339 -0.006 1.00 31.12 C ATOM 0 H LEU A 28 -14.008 11.038 1.688 1.00 42.10 H new ATOM 0 HA LEU A 28 -15.292 11.723 -0.870 1.00 23.35 H new ATOM 0 HB2 LEU A 28 -14.924 13.201 1.761 1.00 42.31 H new ATOM 0 HB3 LEU A 28 -15.581 13.961 0.326 1.00 42.31 H new ATOM 0 HG LEU A 28 -16.794 11.560 1.733 1.00 55.35 H new ATOM 0 HD11 LEU A 28 -18.549 13.134 2.471 1.00 53.52 H new ATOM 0 HD12 LEU A 28 -16.950 13.575 3.114 1.00 53.52 H new ATOM 0 HD13 LEU A 28 -17.638 14.480 1.745 1.00 53.52 H new ATOM 0 HD21 LEU A 28 -18.753 11.996 0.291 1.00 31.12 H new ATOM 0 HD22 LEU A 28 -17.849 13.288 -0.534 1.00 31.12 H new ATOM 0 HD23 LEU A 28 -17.304 11.599 -0.663 1.00 31.12 H new ATOM 487 N GLU A 29 -13.654 13.734 -1.485 1.00 72.40 N ATOM 488 CA GLU A 29 -12.549 14.478 -2.102 1.00 55.45 C ATOM 489 C GLU A 29 -11.887 15.439 -1.102 1.00 75.32 C ATOM 490 O GLU A 29 -12.562 16.258 -0.474 1.00 15.30 O ATOM 491 CB GLU A 29 -13.039 15.256 -3.331 1.00 44.13 C ATOM 492 CG GLU A 29 -13.652 14.375 -4.415 1.00 34.53 C ATOM 493 CD GLU A 29 -13.965 15.136 -5.695 1.00 64.33 C ATOM 494 OE1 GLU A 29 -14.908 15.958 -5.695 1.00 34.33 O ATOM 495 OE2 GLU A 29 -13.276 14.906 -6.710 1.00 23.03 O ATOM 0 H GLU A 29 -14.581 14.014 -1.804 1.00 72.40 H new ATOM 0 HA GLU A 29 -11.802 13.749 -2.417 1.00 55.45 H new ATOM 0 HB2 GLU A 29 -13.778 15.991 -3.013 1.00 44.13 H new ATOM 0 HB3 GLU A 29 -12.202 15.809 -3.756 1.00 44.13 H new ATOM 0 HG2 GLU A 29 -12.966 13.559 -4.643 1.00 34.53 H new ATOM 0 HG3 GLU A 29 -14.568 13.924 -4.034 1.00 34.53 H new ATOM 502 N GLY A 30 -10.567 15.328 -0.956 1.00 34.01 N ATOM 503 CA GLY A 30 -9.826 16.185 -0.033 1.00 2.13 C ATOM 504 C GLY A 30 -9.550 15.522 1.314 1.00 24.03 C ATOM 505 O GLY A 30 -8.842 16.079 2.159 1.00 53.14 O ATOM 0 H GLY A 30 -9.991 14.656 -1.463 1.00 34.01 H new ATOM 0 HA2 GLY A 30 -8.879 16.469 -0.492 1.00 2.13 H new ATOM 0 HA3 GLY A 30 -10.389 17.104 0.130 1.00 2.13 H new ATOM 509 N ASP A 31 -10.115 14.336 1.519 1.00 61.44 N ATOM 510 CA ASP A 31 -9.921 13.582 2.764 1.00 32.03 C ATOM 511 C ASP A 31 -8.672 12.687 2.703 1.00 2.41 C ATOM 512 O ASP A 31 -7.831 12.829 1.813 1.00 20.22 O ATOM 513 CB ASP A 31 -11.159 12.733 3.056 1.00 55.22 C ATOM 514 CG ASP A 31 -12.364 13.582 3.405 1.00 43.34 C ATOM 515 OD1 ASP A 31 -13.029 14.090 2.481 1.00 31.20 O ATOM 516 OD2 ASP A 31 -12.653 13.746 4.612 1.00 33.33 O ATOM 0 H ASP A 31 -10.715 13.870 0.838 1.00 61.44 H new ATOM 0 HA ASP A 31 -9.772 14.302 3.568 1.00 32.03 H new ATOM 0 HB2 ASP A 31 -11.389 12.118 2.186 1.00 55.22 H new ATOM 0 HB3 ASP A 31 -10.945 12.052 3.880 1.00 55.22 H new ATOM 521 N SER A 32 -8.555 11.770 3.664 1.00 14.11 N ATOM 522 CA SER A 32 -7.415 10.847 3.720 1.00 54.12 C ATOM 523 C SER A 32 -7.870 9.408 3.990 1.00 52.35 C ATOM 524 O SER A 32 -8.833 9.175 4.723 1.00 51.51 O ATOM 525 CB SER A 32 -6.414 11.277 4.805 1.00 73.23 C ATOM 526 OG SER A 32 -7.003 11.272 6.102 1.00 31.45 O ATOM 0 H SER A 32 -9.234 11.645 4.415 1.00 14.11 H new ATOM 0 HA SER A 32 -6.927 10.882 2.746 1.00 54.12 H new ATOM 0 HB2 SER A 32 -5.555 10.606 4.793 1.00 73.23 H new ATOM 0 HB3 SER A 32 -6.041 12.276 4.579 1.00 73.23 H new ATOM 0 HG SER A 32 -6.337 11.549 6.765 1.00 31.45 H new ATOM 532 N VAL A 33 -7.164 8.447 3.404 1.00 74.21 N ATOM 533 CA VAL A 33 -7.467 7.024 3.599 1.00 54.13 C ATOM 534 C VAL A 33 -6.249 6.266 4.154 1.00 12.51 C ATOM 535 O VAL A 33 -5.103 6.603 3.849 1.00 14.33 O ATOM 536 CB VAL A 33 -7.934 6.361 2.274 1.00 55.14 C ATOM 537 CG1 VAL A 33 -6.850 6.455 1.205 1.00 11.04 C ATOM 538 CG2 VAL A 33 -8.350 4.906 2.504 1.00 34.30 C ATOM 0 H VAL A 33 -6.372 8.624 2.786 1.00 74.21 H new ATOM 0 HA VAL A 33 -8.278 6.966 4.325 1.00 54.13 H new ATOM 0 HB VAL A 33 -8.807 6.907 1.917 1.00 55.14 H new ATOM 0 HG11 VAL A 33 -7.202 5.984 0.287 1.00 11.04 H new ATOM 0 HG12 VAL A 33 -6.621 7.503 1.010 1.00 11.04 H new ATOM 0 HG13 VAL A 33 -5.951 5.946 1.553 1.00 11.04 H new ATOM 0 HG21 VAL A 33 -8.672 4.466 1.560 1.00 34.30 H new ATOM 0 HG22 VAL A 33 -7.503 4.343 2.896 1.00 34.30 H new ATOM 0 HG23 VAL A 33 -9.171 4.871 3.220 1.00 34.30 H new ATOM 548 N LYS A 34 -6.505 5.248 4.978 1.00 72.01 N ATOM 549 CA LYS A 34 -5.435 4.437 5.573 1.00 11.03 C ATOM 550 C LYS A 34 -5.478 2.987 5.059 1.00 30.13 C ATOM 551 O LYS A 34 -6.467 2.276 5.239 1.00 34.45 O ATOM 552 CB LYS A 34 -5.545 4.470 7.107 1.00 22.22 C ATOM 553 CG LYS A 34 -6.898 3.999 7.646 1.00 14.10 C ATOM 554 CD LYS A 34 -6.982 4.106 9.167 1.00 33.43 C ATOM 555 CE LYS A 34 -6.795 5.540 9.644 1.00 1.34 C ATOM 556 NZ LYS A 34 -7.001 5.674 11.109 1.00 0.45 N ATOM 0 H LYS A 34 -7.446 4.963 5.250 1.00 72.01 H new ATOM 0 HA LYS A 34 -4.477 4.863 5.275 1.00 11.03 H new ATOM 0 HB2 LYS A 34 -4.759 3.844 7.531 1.00 22.22 H new ATOM 0 HB3 LYS A 34 -5.363 5.488 7.452 1.00 22.22 H new ATOM 0 HG2 LYS A 34 -7.693 4.594 7.197 1.00 14.10 H new ATOM 0 HG3 LYS A 34 -7.066 2.965 7.346 1.00 14.10 H new ATOM 0 HD2 LYS A 34 -7.949 3.734 9.505 1.00 33.43 H new ATOM 0 HD3 LYS A 34 -6.220 3.470 9.619 1.00 33.43 H new ATOM 0 HE2 LYS A 34 -5.791 5.879 9.387 1.00 1.34 H new ATOM 0 HE3 LYS A 34 -7.495 6.190 9.119 1.00 1.34 H new ATOM 0 HZ1 LYS A 34 -6.864 6.666 11.390 1.00 0.45 H new ATOM 0 HZ2 LYS A 34 -7.967 5.376 11.352 1.00 0.45 H new ATOM 0 HZ3 LYS A 34 -6.316 5.074 11.612 1.00 0.45 H new ATOM 570 N LEU A 35 -4.401 2.566 4.400 1.00 11.31 N ATOM 571 CA LEU A 35 -4.282 1.195 3.893 1.00 42.13 C ATOM 572 C LEU A 35 -3.156 0.450 4.625 1.00 34.54 C ATOM 573 O LEU A 35 -1.986 0.806 4.492 1.00 3.01 O ATOM 574 CB LEU A 35 -3.995 1.221 2.383 1.00 5.02 C ATOM 575 CG LEU A 35 -5.020 1.990 1.530 1.00 25.24 C ATOM 576 CD1 LEU A 35 -4.576 2.045 0.068 1.00 1.41 C ATOM 577 CD2 LEU A 35 -6.408 1.360 1.652 1.00 71.24 C ATOM 0 H LEU A 35 -3.593 3.156 4.202 1.00 11.31 H new ATOM 0 HA LEU A 35 -5.222 0.672 4.072 1.00 42.13 H new ATOM 0 HB2 LEU A 35 -3.011 1.663 2.225 1.00 5.02 H new ATOM 0 HB3 LEU A 35 -3.945 0.194 2.022 1.00 5.02 H new ATOM 0 HG LEU A 35 -5.077 3.012 1.906 1.00 25.24 H new ATOM 0 HD11 LEU A 35 -5.315 2.593 -0.516 1.00 1.41 H new ATOM 0 HD12 LEU A 35 -3.612 2.550 -0.001 1.00 1.41 H new ATOM 0 HD13 LEU A 35 -4.484 1.032 -0.323 1.00 1.41 H new ATOM 0 HD21 LEU A 35 -7.116 1.919 1.041 1.00 71.24 H new ATOM 0 HD22 LEU A 35 -6.370 0.326 1.309 1.00 71.24 H new ATOM 0 HD23 LEU A 35 -6.728 1.385 2.694 1.00 71.24 H new ATOM 589 N GLU A 36 -3.500 -0.581 5.397 1.00 22.52 N ATOM 590 CA GLU A 36 -2.497 -1.313 6.186 1.00 24.53 C ATOM 591 C GLU A 36 -2.661 -2.839 6.089 1.00 41.32 C ATOM 592 O GLU A 36 -3.777 -3.362 6.054 1.00 23.52 O ATOM 593 CB GLU A 36 -2.548 -0.877 7.663 1.00 42.33 C ATOM 594 CG GLU A 36 -3.912 -1.057 8.325 1.00 12.24 C ATOM 595 CD GLU A 36 -3.889 -0.737 9.812 1.00 20.04 C ATOM 596 OE1 GLU A 36 -3.511 0.396 10.175 1.00 13.55 O ATOM 597 OE2 GLU A 36 -4.252 -1.615 10.627 1.00 3.14 O ATOM 0 H GLU A 36 -4.454 -0.929 5.496 1.00 22.52 H new ATOM 0 HA GLU A 36 -1.525 -1.062 5.761 1.00 24.53 H new ATOM 0 HB2 GLU A 36 -1.807 -1.447 8.224 1.00 42.33 H new ATOM 0 HB3 GLU A 36 -2.260 0.172 7.730 1.00 42.33 H new ATOM 0 HG2 GLU A 36 -4.639 -0.413 7.830 1.00 12.24 H new ATOM 0 HG3 GLU A 36 -4.247 -2.084 8.184 1.00 12.24 H new ATOM 604 N CYS A 37 -1.528 -3.540 6.046 1.00 61.51 N ATOM 605 CA CYS A 37 -1.498 -5.011 6.027 1.00 55.11 C ATOM 606 C CYS A 37 -0.230 -5.538 6.717 1.00 11.12 C ATOM 607 O CYS A 37 0.711 -4.783 6.964 1.00 55.51 O ATOM 608 CB CYS A 37 -1.558 -5.532 4.585 1.00 13.43 C ATOM 609 SG CYS A 37 -0.160 -5.025 3.556 1.00 14.44 S ATOM 0 H CYS A 37 -0.604 -3.109 6.023 1.00 61.51 H new ATOM 0 HA CYS A 37 -2.370 -5.372 6.571 1.00 55.11 H new ATOM 0 HB2 CYS A 37 -1.604 -6.621 4.605 1.00 13.43 H new ATOM 0 HB3 CYS A 37 -2.481 -5.183 4.122 1.00 13.43 H new ATOM 0 HG CYS A 37 -0.544 -4.931 2.318 1.00 14.44 H new ATOM 615 N GLN A 38 -0.207 -6.831 7.035 1.00 44.50 N ATOM 616 CA GLN A 38 0.950 -7.443 7.705 1.00 55.44 C ATOM 617 C GLN A 38 1.728 -8.371 6.760 1.00 43.02 C ATOM 618 O GLN A 38 1.193 -9.371 6.284 1.00 20.43 O ATOM 619 CB GLN A 38 0.493 -8.236 8.941 1.00 31.41 C ATOM 620 CG GLN A 38 -0.003 -7.372 10.097 1.00 22.12 C ATOM 621 CD GLN A 38 1.093 -6.550 10.758 1.00 53.35 C ATOM 622 OE1 GLN A 38 0.843 -5.467 11.271 1.00 51.30 O ATOM 623 NE2 GLN A 38 2.312 -7.057 10.766 1.00 4.34 N ATOM 0 H GLN A 38 -0.972 -7.478 6.842 1.00 44.50 H new ATOM 0 HA GLN A 38 1.614 -6.635 8.012 1.00 55.44 H new ATOM 0 HB2 GLN A 38 -0.304 -8.918 8.645 1.00 31.41 H new ATOM 0 HB3 GLN A 38 1.323 -8.849 9.292 1.00 31.41 H new ATOM 0 HG2 GLN A 38 -0.778 -6.700 9.730 1.00 22.12 H new ATOM 0 HG3 GLN A 38 -0.466 -8.014 10.846 1.00 22.12 H new ATOM 0 HE21 GLN A 38 2.491 -7.962 10.331 1.00 4.34 H new ATOM 0 HE22 GLN A 38 3.075 -6.544 11.208 1.00 4.34 H new ATOM 632 N ILE A 39 2.986 -8.033 6.495 1.00 44.41 N ATOM 633 CA ILE A 39 3.882 -8.893 5.715 1.00 11.32 C ATOM 634 C ILE A 39 5.049 -9.378 6.586 1.00 21.04 C ATOM 635 O ILE A 39 5.873 -8.579 7.031 1.00 11.21 O ATOM 636 CB ILE A 39 4.462 -8.144 4.486 1.00 51.52 C ATOM 637 CG1 ILE A 39 3.332 -7.603 3.592 1.00 33.13 C ATOM 638 CG2 ILE A 39 5.394 -9.060 3.687 1.00 42.30 C ATOM 639 CD1 ILE A 39 3.827 -6.833 2.382 1.00 32.15 C ATOM 0 H ILE A 39 3.415 -7.163 6.810 1.00 44.41 H new ATOM 0 HA ILE A 39 3.292 -9.742 5.369 1.00 11.32 H new ATOM 0 HB ILE A 39 5.043 -7.296 4.847 1.00 51.52 H new ATOM 0 HG12 ILE A 39 2.717 -8.437 3.254 1.00 33.13 H new ATOM 0 HG13 ILE A 39 2.689 -6.954 4.187 1.00 33.13 H new ATOM 0 HG21 ILE A 39 5.791 -8.517 2.829 1.00 42.30 H new ATOM 0 HG22 ILE A 39 6.217 -9.385 4.323 1.00 42.30 H new ATOM 0 HG23 ILE A 39 4.838 -9.931 3.339 1.00 42.30 H new ATOM 0 HD11 ILE A 39 2.975 -6.483 1.800 1.00 32.15 H new ATOM 0 HD12 ILE A 39 4.417 -5.978 2.711 1.00 32.15 H new ATOM 0 HD13 ILE A 39 4.445 -7.484 1.764 1.00 32.15 H new ATOM 651 N SER A 40 5.127 -10.683 6.828 1.00 13.04 N ATOM 652 CA SER A 40 6.213 -11.235 7.652 1.00 73.15 C ATOM 653 C SER A 40 7.384 -11.692 6.775 1.00 20.03 C ATOM 654 O SER A 40 7.327 -12.742 6.137 1.00 64.51 O ATOM 655 CB SER A 40 5.704 -12.413 8.499 1.00 54.21 C ATOM 656 OG SER A 40 6.724 -12.924 9.344 1.00 72.31 O ATOM 0 H SER A 40 4.465 -11.374 6.474 1.00 13.04 H new ATOM 0 HA SER A 40 6.563 -10.446 8.318 1.00 73.15 H new ATOM 0 HB2 SER A 40 4.857 -12.089 9.104 1.00 54.21 H new ATOM 0 HB3 SER A 40 5.342 -13.205 7.843 1.00 54.21 H new ATOM 0 HG SER A 40 6.369 -13.671 9.870 1.00 72.31 H new ATOM 662 N ALA A 41 8.437 -10.874 6.723 1.00 50.12 N ATOM 663 CA ALA A 41 9.633 -11.186 5.934 1.00 73.43 C ATOM 664 C ALA A 41 10.921 -10.952 6.736 1.00 41.43 C ATOM 665 O ALA A 41 11.008 -10.012 7.523 1.00 22.33 O ATOM 666 CB ALA A 41 9.644 -10.353 4.662 1.00 33.04 C ATOM 0 H ALA A 41 8.487 -9.985 7.221 1.00 50.12 H new ATOM 0 HA ALA A 41 9.598 -12.244 5.675 1.00 73.43 H new ATOM 0 HB1 ALA A 41 10.535 -10.589 4.080 1.00 33.04 H new ATOM 0 HB2 ALA A 41 8.755 -10.578 4.072 1.00 33.04 H new ATOM 0 HB3 ALA A 41 9.650 -9.294 4.921 1.00 33.04 H new ATOM 672 N ILE A 42 11.921 -11.806 6.525 1.00 2.23 N ATOM 673 CA ILE A 42 13.237 -11.640 7.165 1.00 55.04 C ATOM 674 C ILE A 42 14.371 -11.873 6.144 1.00 24.32 C ATOM 675 O ILE A 42 14.556 -12.992 5.665 1.00 14.22 O ATOM 676 CB ILE A 42 13.427 -12.616 8.363 1.00 61.11 C ATOM 677 CG1 ILE A 42 12.307 -12.426 9.403 1.00 74.11 C ATOM 678 CG2 ILE A 42 14.799 -12.414 9.009 1.00 73.22 C ATOM 679 CD1 ILE A 42 12.406 -13.364 10.592 1.00 31.22 C ATOM 0 H ILE A 42 11.851 -12.622 5.917 1.00 2.23 H new ATOM 0 HA ILE A 42 13.279 -10.617 7.540 1.00 55.04 H new ATOM 0 HB ILE A 42 13.372 -13.636 7.984 1.00 61.11 H new ATOM 0 HG12 ILE A 42 12.329 -11.397 9.762 1.00 74.11 H new ATOM 0 HG13 ILE A 42 11.343 -12.573 8.916 1.00 74.11 H new ATOM 0 HG21 ILE A 42 14.913 -13.105 9.844 1.00 73.22 H new ATOM 0 HG22 ILE A 42 15.580 -12.603 8.272 1.00 73.22 H new ATOM 0 HG23 ILE A 42 14.883 -11.390 9.372 1.00 73.22 H new ATOM 0 HD11 ILE A 42 11.583 -13.169 11.279 1.00 31.22 H new ATOM 0 HD12 ILE A 42 12.353 -14.396 10.246 1.00 31.22 H new ATOM 0 HD13 ILE A 42 13.354 -13.202 11.106 1.00 31.22 H new ATOM 691 N PRO A 43 15.130 -10.826 5.757 1.00 55.50 N ATOM 692 CA PRO A 43 14.931 -9.438 6.228 1.00 51.04 C ATOM 693 C PRO A 43 13.753 -8.723 5.526 1.00 32.21 C ATOM 694 O PRO A 43 13.232 -9.214 4.521 1.00 71.03 O ATOM 695 CB PRO A 43 16.264 -8.772 5.858 1.00 3.22 C ATOM 696 CG PRO A 43 16.709 -9.494 4.634 1.00 32.42 C ATOM 697 CD PRO A 43 16.267 -10.925 4.818 1.00 4.34 C ATOM 0 HA PRO A 43 14.679 -9.394 7.288 1.00 51.04 H new ATOM 0 HB2 PRO A 43 16.137 -7.706 5.667 1.00 3.22 H new ATOM 0 HB3 PRO A 43 16.993 -8.867 6.663 1.00 3.22 H new ATOM 0 HG2 PRO A 43 16.263 -9.059 3.739 1.00 32.42 H new ATOM 0 HG3 PRO A 43 17.791 -9.431 4.514 1.00 32.42 H new ATOM 0 HD2 PRO A 43 15.966 -11.375 3.872 1.00 4.34 H new ATOM 0 HD3 PRO A 43 17.069 -11.542 5.224 1.00 4.34 H new ATOM 705 N PRO A 44 13.311 -7.560 6.059 1.00 33.33 N ATOM 706 CA PRO A 44 12.237 -6.754 5.439 1.00 2.44 C ATOM 707 C PRO A 44 12.430 -6.544 3.921 1.00 74.51 C ATOM 708 O PRO A 44 13.539 -6.264 3.459 1.00 63.53 O ATOM 709 CB PRO A 44 12.334 -5.423 6.192 1.00 2.22 C ATOM 710 CG PRO A 44 12.850 -5.798 7.540 1.00 72.54 C ATOM 711 CD PRO A 44 13.801 -6.947 7.313 1.00 2.34 C ATOM 0 HA PRO A 44 11.266 -7.242 5.516 1.00 2.44 H new ATOM 0 HB2 PRO A 44 13.006 -4.729 5.688 1.00 2.22 H new ATOM 0 HB3 PRO A 44 11.363 -4.933 6.260 1.00 2.22 H new ATOM 0 HG2 PRO A 44 13.359 -4.957 8.011 1.00 72.54 H new ATOM 0 HG3 PRO A 44 12.035 -6.090 8.203 1.00 72.54 H new ATOM 0 HD2 PRO A 44 14.830 -6.602 7.215 1.00 2.34 H new ATOM 0 HD3 PRO A 44 13.779 -7.655 8.141 1.00 2.34 H new ATOM 719 N PRO A 45 11.348 -6.674 3.127 1.00 24.52 N ATOM 720 CA PRO A 45 11.419 -6.636 1.662 1.00 50.13 C ATOM 721 C PRO A 45 11.211 -5.236 1.055 1.00 73.33 C ATOM 722 O PRO A 45 10.823 -4.288 1.745 1.00 52.34 O ATOM 723 CB PRO A 45 10.258 -7.558 1.288 1.00 41.35 C ATOM 724 CG PRO A 45 9.216 -7.276 2.327 1.00 2.44 C ATOM 725 CD PRO A 45 9.959 -6.875 3.586 1.00 23.31 C ATOM 0 HA PRO A 45 12.400 -6.928 1.288 1.00 50.13 H new ATOM 0 HB2 PRO A 45 9.888 -7.346 0.285 1.00 41.35 H new ATOM 0 HB3 PRO A 45 10.561 -8.605 1.301 1.00 41.35 H new ATOM 0 HG2 PRO A 45 8.549 -6.479 2.000 1.00 2.44 H new ATOM 0 HG3 PRO A 45 8.598 -8.156 2.505 1.00 2.44 H new ATOM 0 HD2 PRO A 45 9.546 -5.965 4.021 1.00 23.31 H new ATOM 0 HD3 PRO A 45 9.898 -7.650 4.350 1.00 23.31 H new ATOM 733 N LYS A 46 11.475 -5.124 -0.247 1.00 74.11 N ATOM 734 CA LYS A 46 11.234 -3.887 -0.997 1.00 34.25 C ATOM 735 C LYS A 46 9.766 -3.807 -1.447 1.00 24.25 C ATOM 736 O LYS A 46 9.242 -4.753 -2.039 1.00 62.32 O ATOM 737 CB LYS A 46 12.166 -3.835 -2.217 1.00 2.22 C ATOM 738 CG LYS A 46 12.025 -2.573 -3.066 1.00 0.44 C ATOM 739 CD LYS A 46 12.527 -1.324 -2.344 1.00 54.51 C ATOM 740 CE LYS A 46 12.396 -0.083 -3.219 1.00 54.41 C ATOM 741 NZ LYS A 46 13.021 1.107 -2.588 1.00 23.53 N ATOM 0 H LYS A 46 11.860 -5.882 -0.810 1.00 74.11 H new ATOM 0 HA LYS A 46 11.441 -3.035 -0.350 1.00 34.25 H new ATOM 0 HB2 LYS A 46 13.198 -3.914 -1.874 1.00 2.22 H new ATOM 0 HB3 LYS A 46 11.971 -4.704 -2.845 1.00 2.22 H new ATOM 0 HG2 LYS A 46 12.581 -2.700 -3.995 1.00 0.44 H new ATOM 0 HG3 LYS A 46 10.978 -2.436 -3.337 1.00 0.44 H new ATOM 0 HD2 LYS A 46 11.961 -1.183 -1.423 1.00 54.51 H new ATOM 0 HD3 LYS A 46 13.570 -1.461 -2.059 1.00 54.51 H new ATOM 0 HE2 LYS A 46 12.864 -0.269 -4.186 1.00 54.41 H new ATOM 0 HE3 LYS A 46 11.342 0.118 -3.409 1.00 54.41 H new ATOM 0 HZ1 LYS A 46 12.911 1.930 -3.214 1.00 23.53 H new ATOM 0 HZ2 LYS A 46 12.558 1.300 -1.677 1.00 23.53 H new ATOM 0 HZ3 LYS A 46 14.033 0.925 -2.430 1.00 23.53 H new ATOM 755 N LEU A 47 9.108 -2.681 -1.167 1.00 20.13 N ATOM 756 CA LEU A 47 7.681 -2.512 -1.482 1.00 2.30 C ATOM 757 C LEU A 47 7.470 -1.729 -2.790 1.00 55.32 C ATOM 758 O LEU A 47 7.955 -0.606 -2.943 1.00 63.31 O ATOM 759 CB LEU A 47 6.979 -1.786 -0.326 1.00 43.44 C ATOM 760 CG LEU A 47 7.117 -2.463 1.049 1.00 15.43 C ATOM 761 CD1 LEU A 47 6.513 -1.590 2.143 1.00 4.44 C ATOM 762 CD2 LEU A 47 6.464 -3.845 1.046 1.00 32.41 C ATOM 0 H LEU A 47 9.537 -1.870 -0.722 1.00 20.13 H new ATOM 0 HA LEU A 47 7.251 -3.505 -1.616 1.00 2.30 H new ATOM 0 HB2 LEU A 47 7.378 -0.774 -0.257 1.00 43.44 H new ATOM 0 HB3 LEU A 47 5.919 -1.695 -0.564 1.00 43.44 H new ATOM 0 HG LEU A 47 8.180 -2.589 1.256 1.00 15.43 H new ATOM 0 HD11 LEU A 47 6.621 -2.087 3.107 1.00 4.44 H new ATOM 0 HD12 LEU A 47 7.030 -0.631 2.170 1.00 4.44 H new ATOM 0 HD13 LEU A 47 5.455 -1.427 1.936 1.00 4.44 H new ATOM 0 HD21 LEU A 47 6.575 -4.302 2.029 1.00 32.41 H new ATOM 0 HD22 LEU A 47 5.405 -3.746 0.810 1.00 32.41 H new ATOM 0 HD23 LEU A 47 6.946 -4.473 0.297 1.00 32.41 H new ATOM 774 N PHE A 48 6.745 -2.333 -3.729 1.00 73.11 N ATOM 775 CA PHE A 48 6.379 -1.673 -4.990 1.00 31.12 C ATOM 776 C PHE A 48 4.859 -1.476 -5.088 1.00 13.13 C ATOM 777 O PHE A 48 4.101 -2.446 -5.095 1.00 41.13 O ATOM 778 CB PHE A 48 6.865 -2.498 -6.189 1.00 34.25 C ATOM 779 CG PHE A 48 8.363 -2.652 -6.259 1.00 51.40 C ATOM 780 CD1 PHE A 48 9.154 -1.634 -6.773 1.00 13.21 C ATOM 781 CD2 PHE A 48 8.981 -3.812 -5.811 1.00 54.10 C ATOM 782 CE1 PHE A 48 10.527 -1.771 -6.840 1.00 64.52 C ATOM 783 CE2 PHE A 48 10.352 -3.950 -5.878 1.00 63.03 C ATOM 784 CZ PHE A 48 11.127 -2.930 -6.391 1.00 3.33 C ATOM 0 H PHE A 48 6.395 -3.287 -3.643 1.00 73.11 H new ATOM 0 HA PHE A 48 6.862 -0.696 -5.005 1.00 31.12 H new ATOM 0 HB2 PHE A 48 6.410 -3.487 -6.145 1.00 34.25 H new ATOM 0 HB3 PHE A 48 6.515 -2.027 -7.107 1.00 34.25 H new ATOM 0 HD1 PHE A 48 8.691 -0.724 -7.125 1.00 13.21 H new ATOM 0 HD2 PHE A 48 8.382 -4.614 -5.406 1.00 54.10 H new ATOM 0 HE1 PHE A 48 11.131 -0.972 -7.244 1.00 64.52 H new ATOM 0 HE2 PHE A 48 10.820 -4.858 -5.528 1.00 63.03 H new ATOM 0 HZ PHE A 48 12.200 -3.038 -6.441 1.00 3.33 H new ATOM 794 N TRP A 49 4.419 -0.222 -5.164 1.00 53.03 N ATOM 795 CA TRP A 49 2.990 0.095 -5.297 1.00 2.41 C ATOM 796 C TRP A 49 2.655 0.634 -6.698 1.00 14.15 C ATOM 797 O TRP A 49 3.236 1.625 -7.156 1.00 60.23 O ATOM 798 CB TRP A 49 2.565 1.121 -4.233 1.00 55.11 C ATOM 799 CG TRP A 49 2.494 0.562 -2.840 1.00 3.04 C ATOM 800 CD1 TRP A 49 3.534 0.339 -1.986 1.00 51.44 C ATOM 801 CD2 TRP A 49 1.309 0.163 -2.141 1.00 61.54 C ATOM 802 NE1 TRP A 49 3.069 -0.174 -0.800 1.00 61.10 N ATOM 803 CE2 TRP A 49 1.707 -0.293 -0.871 1.00 10.33 C ATOM 804 CE3 TRP A 49 -0.049 0.146 -2.468 1.00 72.42 C ATOM 805 CZ2 TRP A 49 0.796 -0.757 0.074 1.00 70.02 C ATOM 806 CZ3 TRP A 49 -0.955 -0.316 -1.532 1.00 42.34 C ATOM 807 CH2 TRP A 49 -0.529 -0.762 -0.271 1.00 43.22 C ATOM 0 H TRP A 49 5.029 0.595 -5.136 1.00 53.03 H new ATOM 0 HA TRP A 49 2.437 -0.832 -5.148 1.00 2.41 H new ATOM 0 HB2 TRP A 49 3.269 1.953 -4.244 1.00 55.11 H new ATOM 0 HB3 TRP A 49 1.589 1.525 -4.502 1.00 55.11 H new ATOM 0 HD1 TRP A 49 4.572 0.537 -2.210 1.00 51.44 H new ATOM 0 HE1 TRP A 49 3.645 -0.426 0.003 1.00 61.10 H new ATOM 0 HE3 TRP A 49 -0.385 0.488 -3.436 1.00 72.42 H new ATOM 0 HZ2 TRP A 49 1.123 -1.101 1.044 1.00 70.02 H new ATOM 0 HZ3 TRP A 49 -2.007 -0.334 -1.775 1.00 42.34 H new ATOM 0 HH2 TRP A 49 -1.260 -1.116 0.441 1.00 43.22 H new ATOM 818 N LYS A 50 1.711 -0.019 -7.371 1.00 20.44 N ATOM 819 CA LYS A 50 1.239 0.425 -8.687 1.00 5.55 C ATOM 820 C LYS A 50 -0.291 0.575 -8.711 1.00 60.33 C ATOM 821 O LYS A 50 -1.020 -0.339 -8.337 1.00 20.33 O ATOM 822 CB LYS A 50 1.689 -0.567 -9.776 1.00 15.12 C ATOM 823 CG LYS A 50 1.073 -0.296 -11.149 1.00 21.42 C ATOM 824 CD LYS A 50 1.663 -1.190 -12.237 1.00 35.12 C ATOM 825 CE LYS A 50 3.136 -0.888 -12.485 1.00 74.33 C ATOM 826 NZ LYS A 50 3.675 -1.671 -13.626 1.00 41.04 N ATOM 0 H LYS A 50 1.253 -0.863 -7.027 1.00 20.44 H new ATOM 0 HA LYS A 50 1.678 1.402 -8.888 1.00 5.55 H new ATOM 0 HB2 LYS A 50 2.775 -0.530 -9.862 1.00 15.12 H new ATOM 0 HB3 LYS A 50 1.428 -1.578 -9.464 1.00 15.12 H new ATOM 0 HG2 LYS A 50 -0.005 -0.453 -11.098 1.00 21.42 H new ATOM 0 HG3 LYS A 50 1.231 0.749 -11.416 1.00 21.42 H new ATOM 0 HD2 LYS A 50 1.550 -2.235 -11.949 1.00 35.12 H new ATOM 0 HD3 LYS A 50 1.104 -1.053 -13.162 1.00 35.12 H new ATOM 0 HE2 LYS A 50 3.260 0.177 -12.684 1.00 74.33 H new ATOM 0 HE3 LYS A 50 3.710 -1.114 -11.586 1.00 74.33 H new ATOM 0 HZ1 LYS A 50 4.679 -1.438 -13.763 1.00 41.04 H new ATOM 0 HZ2 LYS A 50 3.579 -2.687 -13.426 1.00 41.04 H new ATOM 0 HZ3 LYS A 50 3.144 -1.437 -14.489 1.00 41.04 H new ATOM 840 N ARG A 51 -0.766 1.734 -9.155 1.00 55.30 N ATOM 841 CA ARG A 51 -2.200 1.988 -9.323 1.00 62.14 C ATOM 842 C ARG A 51 -2.577 2.038 -10.809 1.00 1.01 C ATOM 843 O ARG A 51 -2.161 2.954 -11.518 1.00 65.05 O ATOM 844 CB ARG A 51 -2.577 3.338 -8.703 1.00 24.33 C ATOM 845 CG ARG A 51 -4.068 3.660 -8.809 1.00 30.51 C ATOM 846 CD ARG A 51 -4.340 5.145 -8.611 1.00 54.12 C ATOM 847 NE ARG A 51 -3.812 5.928 -9.728 1.00 33.12 N ATOM 848 CZ ARG A 51 -3.694 7.225 -9.732 1.00 1.25 C ATOM 849 NH1 ARG A 51 -4.055 7.929 -8.707 1.00 51.42 N ATOM 850 NH2 ARG A 51 -3.223 7.817 -10.778 1.00 21.32 N ATOM 0 H ARG A 51 -0.173 2.524 -9.409 1.00 55.30 H new ATOM 0 HA ARG A 51 -2.734 1.176 -8.830 1.00 62.14 H new ATOM 0 HB2 ARG A 51 -2.286 3.341 -7.653 1.00 24.33 H new ATOM 0 HB3 ARG A 51 -2.007 4.127 -9.194 1.00 24.33 H new ATOM 0 HG2 ARG A 51 -4.439 3.349 -9.786 1.00 30.51 H new ATOM 0 HG3 ARG A 51 -4.618 3.087 -8.063 1.00 30.51 H new ATOM 0 HD2 ARG A 51 -5.413 5.313 -8.520 1.00 54.12 H new ATOM 0 HD3 ARG A 51 -3.885 5.481 -7.679 1.00 54.12 H new ATOM 0 HE ARG A 51 -3.515 5.422 -10.563 1.00 33.12 H new ATOM 0 HH11 ARG A 51 -4.438 7.469 -7.881 1.00 51.42 H new ATOM 0 HH12 ARG A 51 -3.956 8.944 -8.725 1.00 51.42 H new ATOM 0 HH21 ARG A 51 -2.947 7.269 -11.593 1.00 21.32 H new ATOM 0 HH22 ARG A 51 -3.127 8.832 -10.790 1.00 21.32 H new ATOM 864 N ASN A 52 -3.376 1.075 -11.267 1.00 34.24 N ATOM 865 CA ASN A 52 -3.925 1.096 -12.634 1.00 5.12 C ATOM 866 C ASN A 52 -2.833 1.404 -13.684 1.00 53.12 C ATOM 867 O ASN A 52 -2.873 2.440 -14.352 1.00 54.43 O ATOM 868 CB ASN A 52 -5.060 2.136 -12.706 1.00 44.44 C ATOM 869 CG ASN A 52 -5.960 1.976 -13.918 1.00 0.22 C ATOM 870 OD1 ASN A 52 -5.547 1.500 -14.970 1.00 51.53 O ATOM 871 ND2 ASN A 52 -7.205 2.380 -13.776 1.00 55.32 N ATOM 0 H ASN A 52 -3.662 0.266 -10.715 1.00 34.24 H new ATOM 0 HA ASN A 52 -4.319 0.107 -12.866 1.00 5.12 H new ATOM 0 HB2 ASN A 52 -5.666 2.062 -11.803 1.00 44.44 H new ATOM 0 HB3 ASN A 52 -4.625 3.135 -12.717 1.00 44.44 H new ATOM 0 HD21 ASN A 52 -7.859 2.302 -14.555 1.00 55.32 H new ATOM 0 HD22 ASN A 52 -7.516 2.771 -12.887 1.00 55.32 H new ATOM 878 N ASN A 53 -1.834 0.519 -13.775 1.00 74.05 N ATOM 879 CA ASN A 53 -0.725 0.643 -14.746 1.00 50.25 C ATOM 880 C ASN A 53 0.291 1.755 -14.368 1.00 3.21 C ATOM 881 O ASN A 53 1.400 1.794 -14.902 1.00 13.04 O ATOM 882 CB ASN A 53 -1.280 0.885 -16.163 1.00 21.51 C ATOM 883 CG ASN A 53 -0.238 0.710 -17.253 1.00 73.31 C ATOM 884 OD1 ASN A 53 0.669 -0.111 -17.140 1.00 3.32 O ATOM 885 ND2 ASN A 53 -0.365 1.466 -18.322 1.00 5.24 N ATOM 0 H ASN A 53 -1.766 -0.307 -13.180 1.00 74.05 H new ATOM 0 HA ASN A 53 -0.180 -0.301 -14.722 1.00 50.25 H new ATOM 0 HB2 ASN A 53 -2.105 0.197 -16.345 1.00 21.51 H new ATOM 0 HB3 ASN A 53 -1.688 1.894 -16.219 1.00 21.51 H new ATOM 0 HD21 ASN A 53 0.301 1.380 -19.089 1.00 5.24 H new ATOM 0 HD22 ASN A 53 -1.130 2.138 -18.384 1.00 5.24 H new ATOM 892 N GLU A 54 -0.075 2.634 -13.434 1.00 25.24 N ATOM 893 CA GLU A 54 0.816 3.721 -12.988 1.00 2.13 C ATOM 894 C GLU A 54 1.510 3.374 -11.664 1.00 65.23 C ATOM 895 O GLU A 54 0.912 2.761 -10.789 1.00 1.11 O ATOM 896 CB GLU A 54 0.019 5.017 -12.787 1.00 23.24 C ATOM 897 CG GLU A 54 -0.691 5.529 -14.034 1.00 11.54 C ATOM 898 CD GLU A 54 -1.509 6.783 -13.753 1.00 73.30 C ATOM 899 OE1 GLU A 54 -2.676 6.656 -13.322 1.00 35.10 O ATOM 900 OE2 GLU A 54 -0.985 7.904 -13.946 1.00 45.53 O ATOM 0 H GLU A 54 -0.982 2.619 -12.968 1.00 25.24 H new ATOM 0 HA GLU A 54 1.570 3.854 -13.764 1.00 2.13 H new ATOM 0 HB2 GLU A 54 -0.722 4.854 -12.005 1.00 23.24 H new ATOM 0 HB3 GLU A 54 0.696 5.792 -12.427 1.00 23.24 H new ATOM 0 HG2 GLU A 54 0.046 5.743 -14.808 1.00 11.54 H new ATOM 0 HG3 GLU A 54 -1.346 4.749 -14.424 1.00 11.54 H new ATOM 907 N MET A 55 2.766 3.783 -11.501 1.00 1.21 N ATOM 908 CA MET A 55 3.477 3.575 -10.235 1.00 23.55 C ATOM 909 C MET A 55 3.324 4.794 -9.304 1.00 62.45 C ATOM 910 O MET A 55 3.376 5.943 -9.752 1.00 15.52 O ATOM 911 CB MET A 55 4.956 3.261 -10.496 1.00 24.00 C ATOM 912 CG MET A 55 5.747 2.946 -9.233 1.00 21.05 C ATOM 913 SD MET A 55 7.282 2.071 -9.583 1.00 5.42 S ATOM 914 CE MET A 55 6.648 0.525 -10.232 1.00 13.14 C ATOM 0 H MET A 55 3.312 4.257 -12.221 1.00 1.21 H new ATOM 0 HA MET A 55 3.030 2.719 -9.730 1.00 23.55 H new ATOM 0 HB2 MET A 55 5.024 2.413 -11.177 1.00 24.00 H new ATOM 0 HB3 MET A 55 5.416 4.112 -10.999 1.00 24.00 H new ATOM 0 HG2 MET A 55 5.973 3.874 -8.708 1.00 21.05 H new ATOM 0 HG3 MET A 55 5.133 2.343 -8.564 1.00 21.05 H new ATOM 0 HE1 MET A 55 7.364 -0.273 -10.035 1.00 13.14 H new ATOM 0 HE2 MET A 55 5.700 0.289 -9.749 1.00 13.14 H new ATOM 0 HE3 MET A 55 6.495 0.617 -11.307 1.00 13.14 H new ATOM 924 N VAL A 56 3.145 4.531 -8.011 1.00 73.40 N ATOM 925 CA VAL A 56 2.838 5.582 -7.030 1.00 73.53 C ATOM 926 C VAL A 56 4.072 6.436 -6.669 1.00 42.25 C ATOM 927 O VAL A 56 5.180 5.919 -6.507 1.00 52.25 O ATOM 928 CB VAL A 56 2.244 4.962 -5.741 1.00 11.55 C ATOM 929 CG1 VAL A 56 1.770 6.045 -4.774 1.00 71.14 C ATOM 930 CG2 VAL A 56 1.104 4.003 -6.085 1.00 45.53 C ATOM 0 H VAL A 56 3.207 3.594 -7.612 1.00 73.40 H new ATOM 0 HA VAL A 56 2.106 6.240 -7.497 1.00 73.53 H new ATOM 0 HB VAL A 56 3.032 4.397 -5.244 1.00 11.55 H new ATOM 0 HG11 VAL A 56 1.358 5.579 -3.879 1.00 71.14 H new ATOM 0 HG12 VAL A 56 2.612 6.680 -4.498 1.00 71.14 H new ATOM 0 HG13 VAL A 56 1.001 6.650 -5.254 1.00 71.14 H new ATOM 0 HG21 VAL A 56 0.698 3.576 -5.168 1.00 45.53 H new ATOM 0 HG22 VAL A 56 0.319 4.545 -6.611 1.00 45.53 H new ATOM 0 HG23 VAL A 56 1.481 3.203 -6.721 1.00 45.53 H new ATOM 940 N GLN A 57 3.858 7.750 -6.542 1.00 24.30 N ATOM 941 CA GLN A 57 4.922 8.697 -6.171 1.00 32.14 C ATOM 942 C GLN A 57 4.844 9.062 -4.676 1.00 40.44 C ATOM 943 O GLN A 57 3.879 9.676 -4.227 1.00 1.35 O ATOM 944 CB GLN A 57 4.809 9.972 -7.026 1.00 15.15 C ATOM 945 CG GLN A 57 5.037 9.741 -8.519 1.00 21.54 C ATOM 946 CD GLN A 57 6.464 9.326 -8.850 1.00 63.40 C ATOM 947 OE1 GLN A 57 6.702 8.563 -9.781 1.00 20.40 O ATOM 948 NE2 GLN A 57 7.426 9.840 -8.108 1.00 41.40 N ATOM 0 H GLN A 57 2.949 8.188 -6.692 1.00 24.30 H new ATOM 0 HA GLN A 57 5.884 8.218 -6.356 1.00 32.14 H new ATOM 0 HB2 GLN A 57 3.820 10.407 -6.883 1.00 15.15 H new ATOM 0 HB3 GLN A 57 5.533 10.703 -6.667 1.00 15.15 H new ATOM 0 HG2 GLN A 57 4.351 8.970 -8.870 1.00 21.54 H new ATOM 0 HG3 GLN A 57 4.796 10.654 -9.063 1.00 21.54 H new ATOM 0 HE21 GLN A 57 7.196 10.472 -7.341 1.00 41.40 H new ATOM 0 HE22 GLN A 57 8.400 9.606 -8.302 1.00 41.40 H new ATOM 957 N PHE A 58 5.878 8.700 -3.913 1.00 20.04 N ATOM 958 CA PHE A 58 5.892 8.917 -2.455 1.00 15.22 C ATOM 959 C PHE A 58 6.639 10.207 -2.068 1.00 11.24 C ATOM 960 O PHE A 58 6.931 10.439 -0.895 1.00 22.32 O ATOM 961 CB PHE A 58 6.546 7.712 -1.762 1.00 0.33 C ATOM 962 CG PHE A 58 5.928 6.387 -2.139 1.00 75.24 C ATOM 963 CD1 PHE A 58 4.780 5.936 -1.507 1.00 61.41 C ATOM 964 CD2 PHE A 58 6.491 5.599 -3.132 1.00 1.31 C ATOM 965 CE1 PHE A 58 4.209 4.727 -1.853 1.00 75.15 C ATOM 966 CE2 PHE A 58 5.925 4.386 -3.482 1.00 34.33 C ATOM 967 CZ PHE A 58 4.781 3.952 -2.842 1.00 14.33 C ATOM 0 H PHE A 58 6.720 8.254 -4.277 1.00 20.04 H new ATOM 0 HA PHE A 58 4.858 9.025 -2.126 1.00 15.22 H new ATOM 0 HB2 PHE A 58 7.607 7.692 -2.011 1.00 0.33 H new ATOM 0 HB3 PHE A 58 6.475 7.842 -0.682 1.00 0.33 H new ATOM 0 HD1 PHE A 58 4.326 6.538 -0.734 1.00 61.41 H new ATOM 0 HD2 PHE A 58 7.383 5.937 -3.639 1.00 1.31 H new ATOM 0 HE1 PHE A 58 3.315 4.388 -1.350 1.00 75.15 H new ATOM 0 HE2 PHE A 58 6.377 3.780 -4.254 1.00 34.33 H new ATOM 0 HZ PHE A 58 4.334 3.007 -3.115 1.00 14.33 H new ATOM 977 N ASN A 59 6.933 11.052 -3.055 1.00 14.45 N ATOM 978 CA ASN A 59 7.716 12.279 -2.826 1.00 21.43 C ATOM 979 C ASN A 59 6.862 13.457 -2.313 1.00 72.41 C ATOM 980 O ASN A 59 7.398 14.481 -1.886 1.00 14.33 O ATOM 981 CB ASN A 59 8.434 12.680 -4.120 1.00 60.21 C ATOM 982 CG ASN A 59 7.478 12.805 -5.294 1.00 22.10 C ATOM 983 OD1 ASN A 59 7.206 11.836 -5.995 1.00 65.24 O ATOM 984 ND2 ASN A 59 6.954 13.994 -5.518 1.00 43.44 N ATOM 0 H ASN A 59 6.644 10.915 -4.023 1.00 14.45 H new ATOM 0 HA ASN A 59 8.440 12.053 -2.043 1.00 21.43 H new ATOM 0 HB2 ASN A 59 8.947 13.630 -3.969 1.00 60.21 H new ATOM 0 HB3 ASN A 59 9.198 11.939 -4.354 1.00 60.21 H new ATOM 0 HD21 ASN A 59 6.303 14.127 -6.292 1.00 43.44 H new ATOM 0 HD22 ASN A 59 7.200 14.781 -4.917 1.00 43.44 H new ATOM 991 N THR A 60 5.539 13.308 -2.349 1.00 53.03 N ATOM 992 CA THR A 60 4.619 14.388 -1.939 1.00 1.11 C ATOM 993 C THR A 60 3.975 14.114 -0.574 1.00 3.44 C ATOM 994 O THR A 60 3.990 12.986 -0.084 1.00 3.24 O ATOM 995 CB THR A 60 3.486 14.596 -2.978 1.00 42.40 C ATOM 996 OG1 THR A 60 2.517 15.531 -2.473 1.00 62.51 O ATOM 997 CG2 THR A 60 2.794 13.276 -3.313 1.00 32.21 C ATOM 0 H THR A 60 5.073 12.454 -2.656 1.00 53.03 H new ATOM 0 HA THR A 60 5.230 15.288 -1.872 1.00 1.11 H new ATOM 0 HB THR A 60 3.936 14.991 -3.889 1.00 42.40 H new ATOM 0 HG1 THR A 60 1.807 15.657 -3.137 1.00 62.51 H new ATOM 0 HG21 THR A 60 2.005 13.454 -4.044 1.00 32.21 H new ATOM 0 HG22 THR A 60 3.522 12.579 -3.728 1.00 32.21 H new ATOM 0 HG23 THR A 60 2.361 12.852 -2.407 1.00 32.21 H new ATOM 1005 N ASP A 61 3.395 15.151 0.033 1.00 31.13 N ATOM 1006 CA ASP A 61 2.699 15.011 1.318 1.00 14.10 C ATOM 1007 C ASP A 61 1.398 14.208 1.157 1.00 14.22 C ATOM 1008 O ASP A 61 0.883 13.641 2.123 1.00 1.21 O ATOM 1009 CB ASP A 61 2.397 16.397 1.907 1.00 73.34 C ATOM 1010 CG ASP A 61 1.718 16.328 3.267 1.00 61.10 C ATOM 1011 OD1 ASP A 61 2.427 16.274 4.294 1.00 74.31 O ATOM 1012 OD2 ASP A 61 0.473 16.337 3.323 1.00 73.11 O ATOM 0 H ASP A 61 3.392 16.099 -0.343 1.00 31.13 H new ATOM 0 HA ASP A 61 3.351 14.466 2.001 1.00 14.10 H new ATOM 0 HB2 ASP A 61 3.327 16.957 1.999 1.00 73.34 H new ATOM 0 HB3 ASP A 61 1.760 16.949 1.216 1.00 73.34 H new ATOM 1017 N ARG A 62 0.892 14.137 -0.073 1.00 40.21 N ATOM 1018 CA ARG A 62 -0.340 13.393 -0.356 1.00 62.45 C ATOM 1019 C ARG A 62 -0.134 11.878 -0.219 1.00 33.11 C ATOM 1020 O ARG A 62 -1.079 11.143 0.041 1.00 12.34 O ATOM 1021 CB ARG A 62 -0.857 13.705 -1.769 1.00 33.20 C ATOM 1022 CG ARG A 62 -1.441 15.105 -1.940 1.00 53.41 C ATOM 1023 CD ARG A 62 -1.931 15.326 -3.372 1.00 13.13 C ATOM 1024 NE ARG A 62 -2.803 16.492 -3.493 1.00 31.01 N ATOM 1025 CZ ARG A 62 -3.051 17.108 -4.618 1.00 13.44 C ATOM 1026 NH1 ARG A 62 -2.448 16.768 -5.712 1.00 24.24 N ATOM 1027 NH2 ARG A 62 -3.908 18.074 -4.640 1.00 33.00 N ATOM 0 H ARG A 62 1.312 14.583 -0.889 1.00 40.21 H new ATOM 0 HA ARG A 62 -1.077 13.713 0.381 1.00 62.45 H new ATOM 0 HB2 ARG A 62 -0.038 13.579 -2.477 1.00 33.20 H new ATOM 0 HB3 ARG A 62 -1.621 12.973 -2.032 1.00 33.20 H new ATOM 0 HG2 ARG A 62 -2.268 15.245 -1.244 1.00 53.41 H new ATOM 0 HG3 ARG A 62 -0.685 15.850 -1.692 1.00 53.41 H new ATOM 0 HD2 ARG A 62 -1.072 15.449 -4.031 1.00 13.13 H new ATOM 0 HD3 ARG A 62 -2.467 14.439 -3.710 1.00 13.13 H new ATOM 0 HE ARG A 62 -3.246 16.847 -2.646 1.00 31.01 H new ATOM 0 HH11 ARG A 62 -1.767 16.008 -5.704 1.00 24.24 H new ATOM 0 HH12 ARG A 62 -2.654 17.260 -6.582 1.00 24.24 H new ATOM 0 HH21 ARG A 62 -4.386 18.351 -3.783 1.00 33.00 H new ATOM 0 HH22 ARG A 62 -4.107 18.560 -5.515 1.00 33.00 H new ATOM 1041 N ILE A 63 1.101 11.411 -0.392 1.00 12.33 N ATOM 1042 CA ILE A 63 1.387 9.972 -0.330 1.00 2.14 C ATOM 1043 C ILE A 63 2.527 9.663 0.654 1.00 1.31 C ATOM 1044 O ILE A 63 3.632 10.191 0.532 1.00 72.21 O ATOM 1045 CB ILE A 63 1.763 9.411 -1.728 1.00 32.04 C ATOM 1046 CG1 ILE A 63 0.675 9.742 -2.768 1.00 21.24 C ATOM 1047 CG2 ILE A 63 1.995 7.905 -1.659 1.00 53.14 C ATOM 1048 CD1 ILE A 63 -0.688 9.153 -2.453 1.00 12.42 C ATOM 0 H ILE A 63 1.915 11.998 -0.575 1.00 12.33 H new ATOM 0 HA ILE A 63 0.475 9.489 0.020 1.00 2.14 H new ATOM 0 HB ILE A 63 2.690 9.890 -2.043 1.00 32.04 H new ATOM 0 HG12 ILE A 63 0.581 10.825 -2.846 1.00 21.24 H new ATOM 0 HG13 ILE A 63 0.998 9.379 -3.744 1.00 21.24 H new ATOM 0 HG21 ILE A 63 2.257 7.532 -2.649 1.00 53.14 H new ATOM 0 HG22 ILE A 63 2.808 7.694 -0.964 1.00 53.14 H new ATOM 0 HG23 ILE A 63 1.086 7.412 -1.315 1.00 53.14 H new ATOM 0 HD11 ILE A 63 -1.395 9.433 -3.234 1.00 12.42 H new ATOM 0 HD12 ILE A 63 -0.613 8.067 -2.405 1.00 12.42 H new ATOM 0 HD13 ILE A 63 -1.037 9.535 -1.494 1.00 12.42 H new ATOM 1060 N SER A 64 2.257 8.789 1.619 1.00 15.32 N ATOM 1061 CA SER A 64 3.267 8.371 2.602 1.00 42.30 C ATOM 1062 C SER A 64 3.237 6.853 2.811 1.00 62.23 C ATOM 1063 O SER A 64 2.171 6.265 2.980 1.00 63.45 O ATOM 1064 CB SER A 64 3.040 9.079 3.946 1.00 34.22 C ATOM 1065 OG SER A 64 3.174 10.490 3.824 1.00 33.43 O ATOM 0 H SER A 64 1.345 8.351 1.746 1.00 15.32 H new ATOM 0 HA SER A 64 4.245 8.652 2.210 1.00 42.30 H new ATOM 0 HB2 SER A 64 2.045 8.839 4.321 1.00 34.22 H new ATOM 0 HB3 SER A 64 3.756 8.707 4.679 1.00 34.22 H new ATOM 0 HG SER A 64 3.022 10.910 4.696 1.00 33.43 H new ATOM 1071 N LEU A 65 4.407 6.223 2.810 1.00 4.21 N ATOM 1072 CA LEU A 65 4.504 4.765 2.969 1.00 4.32 C ATOM 1073 C LEU A 65 5.604 4.374 3.965 1.00 62.43 C ATOM 1074 O LEU A 65 6.743 4.836 3.865 1.00 23.53 O ATOM 1075 CB LEU A 65 4.786 4.102 1.613 1.00 62.25 C ATOM 1076 CG LEU A 65 4.946 2.568 1.643 1.00 61.12 C ATOM 1077 CD1 LEU A 65 3.632 1.885 2.012 1.00 34.01 C ATOM 1078 CD2 LEU A 65 5.472 2.051 0.306 1.00 63.43 C ATOM 0 H LEU A 65 5.305 6.694 2.701 1.00 4.21 H new ATOM 0 HA LEU A 65 3.549 4.415 3.361 1.00 4.32 H new ATOM 0 HB2 LEU A 65 3.974 4.352 0.931 1.00 62.25 H new ATOM 0 HB3 LEU A 65 5.696 4.536 1.198 1.00 62.25 H new ATOM 0 HG LEU A 65 5.677 2.322 2.413 1.00 61.12 H new ATOM 0 HD11 LEU A 65 3.775 0.804 2.025 1.00 34.01 H new ATOM 0 HD12 LEU A 65 3.312 2.221 2.998 1.00 34.01 H new ATOM 0 HD13 LEU A 65 2.870 2.141 1.276 1.00 34.01 H new ATOM 0 HD21 LEU A 65 5.577 0.967 0.351 1.00 63.43 H new ATOM 0 HD22 LEU A 65 4.772 2.315 -0.487 1.00 63.43 H new ATOM 0 HD23 LEU A 65 6.443 2.501 0.098 1.00 63.43 H new ATOM 1090 N TYR A 66 5.261 3.507 4.915 1.00 30.32 N ATOM 1091 CA TYR A 66 6.247 2.971 5.857 1.00 2.22 C ATOM 1092 C TYR A 66 5.976 1.490 6.156 1.00 44.32 C ATOM 1093 O TYR A 66 4.851 1.004 5.996 1.00 10.54 O ATOM 1094 CB TYR A 66 6.258 3.778 7.173 1.00 53.55 C ATOM 1095 CG TYR A 66 5.116 3.455 8.127 1.00 25.33 C ATOM 1096 CD1 TYR A 66 3.906 4.142 8.069 1.00 54.33 C ATOM 1097 CD2 TYR A 66 5.256 2.460 9.094 1.00 43.45 C ATOM 1098 CE1 TYR A 66 2.874 3.843 8.942 1.00 70.51 C ATOM 1099 CE2 TYR A 66 4.228 2.157 9.963 1.00 51.44 C ATOM 1100 CZ TYR A 66 3.041 2.850 9.886 1.00 14.41 C ATOM 1101 OH TYR A 66 2.014 2.543 10.754 1.00 4.45 O ATOM 0 H TYR A 66 4.312 3.160 5.055 1.00 30.32 H new ATOM 0 HA TYR A 66 7.226 3.060 5.387 1.00 2.22 H new ATOM 0 HB2 TYR A 66 7.203 3.599 7.685 1.00 53.55 H new ATOM 0 HB3 TYR A 66 6.223 4.840 6.932 1.00 53.55 H new ATOM 0 HD1 TYR A 66 3.771 4.920 7.332 1.00 54.33 H new ATOM 0 HD2 TYR A 66 6.187 1.916 9.164 1.00 43.45 H new ATOM 0 HE1 TYR A 66 1.942 4.385 8.885 1.00 70.51 H new ATOM 0 HE2 TYR A 66 4.354 1.379 10.701 1.00 51.44 H new ATOM 0 HH TYR A 66 1.154 2.721 10.319 1.00 4.45 H new ATOM 1111 N GLN A 67 7.014 0.779 6.583 1.00 11.41 N ATOM 1112 CA GLN A 67 6.875 -0.598 7.065 1.00 21.35 C ATOM 1113 C GLN A 67 7.405 -0.710 8.506 1.00 14.02 C ATOM 1114 O GLN A 67 8.567 -0.411 8.779 1.00 22.53 O ATOM 1115 CB GLN A 67 7.609 -1.579 6.128 1.00 10.33 C ATOM 1116 CG GLN A 67 9.063 -1.206 5.836 1.00 23.45 C ATOM 1117 CD GLN A 67 9.774 -2.234 4.968 1.00 51.13 C ATOM 1118 OE1 GLN A 67 10.383 -3.170 5.465 1.00 60.54 O ATOM 1119 NE2 GLN A 67 9.710 -2.060 3.662 1.00 3.42 N ATOM 0 H GLN A 67 7.970 1.134 6.606 1.00 11.41 H new ATOM 0 HA GLN A 67 5.818 -0.865 7.065 1.00 21.35 H new ATOM 0 HB2 GLN A 67 7.584 -2.574 6.572 1.00 10.33 H new ATOM 0 HB3 GLN A 67 7.065 -1.637 5.185 1.00 10.33 H new ATOM 0 HG2 GLN A 67 9.092 -0.236 5.339 1.00 23.45 H new ATOM 0 HG3 GLN A 67 9.601 -1.098 6.778 1.00 23.45 H new ATOM 0 HE21 GLN A 67 9.194 -1.269 3.278 1.00 3.42 H new ATOM 0 HE22 GLN A 67 10.177 -2.717 3.037 1.00 3.42 H new ATOM 1128 N ASP A 68 6.547 -1.165 9.415 1.00 51.35 N ATOM 1129 CA ASP A 68 6.857 -1.176 10.848 1.00 21.42 C ATOM 1130 C ASP A 68 7.754 -2.369 11.238 1.00 20.41 C ATOM 1131 O ASP A 68 7.916 -3.322 10.473 1.00 33.54 O ATOM 1132 CB ASP A 68 5.543 -1.208 11.647 1.00 33.54 C ATOM 1133 CG ASP A 68 5.758 -1.031 13.140 1.00 42.43 C ATOM 1134 OD1 ASP A 68 5.804 0.123 13.609 1.00 10.22 O ATOM 1135 OD2 ASP A 68 5.910 -2.045 13.850 1.00 73.04 O ATOM 0 H ASP A 68 5.624 -1.534 9.186 1.00 51.35 H new ATOM 0 HA ASP A 68 7.415 -0.270 11.084 1.00 21.42 H new ATOM 0 HB2 ASP A 68 4.883 -0.420 11.284 1.00 33.54 H new ATOM 0 HB3 ASP A 68 5.037 -2.156 11.467 1.00 33.54 H new ATOM 1140 N ASN A 69 8.326 -2.301 12.441 1.00 13.25 N ATOM 1141 CA ASN A 69 9.163 -3.378 12.987 1.00 4.51 C ATOM 1142 C ASN A 69 8.412 -4.726 13.023 1.00 65.45 C ATOM 1143 O ASN A 69 9.012 -5.784 12.847 1.00 11.33 O ATOM 1144 CB ASN A 69 9.628 -2.994 14.398 1.00 41.04 C ATOM 1145 CG ASN A 69 10.539 -4.032 15.026 1.00 72.53 C ATOM 1146 OD1 ASN A 69 10.084 -4.947 15.709 1.00 63.31 O ATOM 1147 ND2 ASN A 69 11.830 -3.899 14.807 1.00 75.22 N ATOM 0 H ASN A 69 8.224 -1.501 13.066 1.00 13.25 H new ATOM 0 HA ASN A 69 10.026 -3.504 12.333 1.00 4.51 H new ATOM 0 HB2 ASN A 69 10.151 -2.039 14.355 1.00 41.04 H new ATOM 0 HB3 ASN A 69 8.756 -2.851 15.036 1.00 41.04 H new ATOM 0 HD21 ASN A 69 12.487 -4.567 15.209 1.00 75.22 H new ATOM 0 HD22 ASN A 69 12.173 -3.127 14.235 1.00 75.22 H new ATOM 1154 N THR A 70 7.095 -4.673 13.246 1.00 15.34 N ATOM 1155 CA THR A 70 6.252 -5.886 13.270 1.00 43.40 C ATOM 1156 C THR A 70 5.918 -6.385 11.853 1.00 32.13 C ATOM 1157 O THR A 70 5.164 -7.345 11.686 1.00 53.53 O ATOM 1158 CB THR A 70 4.923 -5.649 14.041 1.00 53.41 C ATOM 1159 OG1 THR A 70 4.186 -6.879 14.171 1.00 1.15 O ATOM 1160 CG2 THR A 70 4.047 -4.615 13.339 1.00 62.33 C ATOM 0 H THR A 70 6.584 -3.806 13.413 1.00 15.34 H new ATOM 0 HA THR A 70 6.839 -6.646 13.786 1.00 43.40 H new ATOM 0 HB THR A 70 5.187 -5.273 15.030 1.00 53.41 H new ATOM 0 HG1 THR A 70 4.243 -7.385 13.333 1.00 1.15 H new ATOM 0 HG21 THR A 70 3.126 -4.474 13.905 1.00 62.33 H new ATOM 0 HG22 THR A 70 4.582 -3.668 13.275 1.00 62.33 H new ATOM 0 HG23 THR A 70 3.806 -4.964 12.335 1.00 62.33 H new ATOM 1168 N GLY A 71 6.468 -5.722 10.835 1.00 33.10 N ATOM 1169 CA GLY A 71 6.199 -6.102 9.451 1.00 52.31 C ATOM 1170 C GLY A 71 4.885 -5.539 8.915 1.00 4.30 C ATOM 1171 O GLY A 71 4.292 -6.097 7.994 1.00 72.23 O ATOM 0 H GLY A 71 7.097 -4.926 10.943 1.00 33.10 H new ATOM 0 HA2 GLY A 71 7.018 -5.756 8.821 1.00 52.31 H new ATOM 0 HA3 GLY A 71 6.177 -7.189 9.378 1.00 52.31 H new ATOM 1175 N ARG A 72 4.423 -4.430 9.489 1.00 44.42 N ATOM 1176 CA ARG A 72 3.177 -3.801 9.039 1.00 53.32 C ATOM 1177 C ARG A 72 3.435 -2.774 7.929 1.00 64.03 C ATOM 1178 O ARG A 72 4.143 -1.790 8.136 1.00 1.42 O ATOM 1179 CB ARG A 72 2.461 -3.111 10.209 1.00 64.42 C ATOM 1180 CG ARG A 72 1.080 -2.568 9.839 1.00 3.23 C ATOM 1181 CD ARG A 72 0.413 -1.846 11.006 1.00 12.54 C ATOM 1182 NE ARG A 72 1.129 -0.624 11.376 1.00 53.42 N ATOM 1183 CZ ARG A 72 1.388 -0.266 12.608 1.00 63.34 C ATOM 1184 NH1 ARG A 72 1.014 -1.007 13.607 1.00 11.23 N ATOM 1185 NH2 ARG A 72 2.016 0.842 12.834 1.00 12.30 N ATOM 0 H ARG A 72 4.886 -3.950 10.260 1.00 44.42 H new ATOM 0 HA ARG A 72 2.543 -4.594 8.642 1.00 53.32 H new ATOM 0 HB2 ARG A 72 2.357 -3.820 11.031 1.00 64.42 H new ATOM 0 HB3 ARG A 72 3.081 -2.291 10.572 1.00 64.42 H new ATOM 0 HG2 ARG A 72 1.175 -1.883 8.996 1.00 3.23 H new ATOM 0 HG3 ARG A 72 0.444 -3.390 9.511 1.00 3.23 H new ATOM 0 HD2 ARG A 72 -0.614 -1.598 10.739 1.00 12.54 H new ATOM 0 HD3 ARG A 72 0.366 -2.514 11.866 1.00 12.54 H new ATOM 0 HE ARG A 72 1.447 -0.012 10.625 1.00 53.42 H new ATOM 0 HH11 ARG A 72 0.513 -1.879 13.436 1.00 11.23 H new ATOM 0 HH12 ARG A 72 1.222 -0.717 14.563 1.00 11.23 H new ATOM 0 HH21 ARG A 72 2.307 1.432 12.054 1.00 12.30 H new ATOM 0 HH22 ARG A 72 2.221 1.126 13.792 1.00 12.30 H new ATOM 1199 N VAL A 73 2.844 -3.000 6.764 1.00 34.01 N ATOM 1200 CA VAL A 73 2.928 -2.050 5.651 1.00 21.14 C ATOM 1201 C VAL A 73 1.717 -1.109 5.667 1.00 24.33 C ATOM 1202 O VAL A 73 0.573 -1.560 5.748 1.00 43.54 O ATOM 1203 CB VAL A 73 2.985 -2.790 4.291 1.00 3.45 C ATOM 1204 CG1 VAL A 73 3.021 -1.801 3.125 1.00 51.21 C ATOM 1205 CG2 VAL A 73 4.185 -3.734 4.245 1.00 73.32 C ATOM 0 H VAL A 73 2.297 -3.836 6.559 1.00 34.01 H new ATOM 0 HA VAL A 73 3.843 -1.471 5.773 1.00 21.14 H new ATOM 0 HB VAL A 73 2.077 -3.385 4.191 1.00 3.45 H new ATOM 0 HG11 VAL A 73 3.061 -2.349 2.184 1.00 51.21 H new ATOM 0 HG12 VAL A 73 2.125 -1.181 3.146 1.00 51.21 H new ATOM 0 HG13 VAL A 73 3.903 -1.167 3.213 1.00 51.21 H new ATOM 0 HG21 VAL A 73 4.209 -4.245 3.283 1.00 73.32 H new ATOM 0 HG22 VAL A 73 5.103 -3.162 4.375 1.00 73.32 H new ATOM 0 HG23 VAL A 73 4.100 -4.470 5.045 1.00 73.32 H new ATOM 1215 N THR A 74 1.964 0.196 5.621 1.00 72.35 N ATOM 1216 CA THR A 74 0.878 1.182 5.689 1.00 20.21 C ATOM 1217 C THR A 74 1.065 2.329 4.687 1.00 34.52 C ATOM 1218 O THR A 74 2.070 3.044 4.717 1.00 61.41 O ATOM 1219 CB THR A 74 0.741 1.770 7.115 1.00 55.22 C ATOM 1220 OG1 THR A 74 0.454 0.723 8.060 1.00 41.24 O ATOM 1221 CG2 THR A 74 -0.360 2.826 7.180 1.00 22.31 C ATOM 0 H THR A 74 2.897 0.599 5.538 1.00 72.35 H new ATOM 0 HA THR A 74 -0.034 0.645 5.428 1.00 20.21 H new ATOM 0 HB THR A 74 1.690 2.244 7.368 1.00 55.22 H new ATOM 0 HG1 THR A 74 0.371 1.107 8.958 1.00 41.24 H new ATOM 0 HG21 THR A 74 -0.429 3.218 8.195 1.00 22.31 H new ATOM 0 HG22 THR A 74 -0.126 3.639 6.493 1.00 22.31 H new ATOM 0 HG23 THR A 74 -1.312 2.376 6.899 1.00 22.31 H new ATOM 1229 N LEU A 75 0.082 2.489 3.804 1.00 50.32 N ATOM 1230 CA LEU A 75 0.054 3.587 2.836 1.00 71.22 C ATOM 1231 C LEU A 75 -1.003 4.631 3.235 1.00 35.23 C ATOM 1232 O LEU A 75 -2.187 4.312 3.376 1.00 52.15 O ATOM 1233 CB LEU A 75 -0.252 3.041 1.433 1.00 14.45 C ATOM 1234 CG LEU A 75 -0.253 4.083 0.299 1.00 33.23 C ATOM 1235 CD1 LEU A 75 1.128 4.709 0.133 1.00 64.34 C ATOM 1236 CD2 LEU A 75 -0.720 3.451 -1.013 1.00 23.33 C ATOM 0 H LEU A 75 -0.719 1.861 3.738 1.00 50.32 H new ATOM 0 HA LEU A 75 1.032 4.068 2.828 1.00 71.22 H new ATOM 0 HB2 LEU A 75 0.482 2.271 1.194 1.00 14.45 H new ATOM 0 HB3 LEU A 75 -1.227 2.555 1.457 1.00 14.45 H new ATOM 0 HG LEU A 75 -0.953 4.874 0.567 1.00 33.23 H new ATOM 0 HD11 LEU A 75 1.101 5.441 -0.674 1.00 64.34 H new ATOM 0 HD12 LEU A 75 1.418 5.202 1.061 1.00 64.34 H new ATOM 0 HD13 LEU A 75 1.853 3.932 -0.107 1.00 64.34 H new ATOM 0 HD21 LEU A 75 -0.714 4.203 -1.802 1.00 23.33 H new ATOM 0 HD22 LEU A 75 -0.049 2.636 -1.284 1.00 23.33 H new ATOM 0 HD23 LEU A 75 -1.731 3.063 -0.890 1.00 23.33 H new ATOM 1248 N LEU A 76 -0.568 5.872 3.430 1.00 31.03 N ATOM 1249 CA LEU A 76 -1.470 6.972 3.799 1.00 23.43 C ATOM 1250 C LEU A 76 -1.650 7.955 2.630 1.00 22.30 C ATOM 1251 O LEU A 76 -0.691 8.593 2.192 1.00 21.14 O ATOM 1252 CB LEU A 76 -0.917 7.712 5.027 1.00 5.13 C ATOM 1253 CG LEU A 76 -0.737 6.848 6.287 1.00 70.44 C ATOM 1254 CD1 LEU A 76 -0.102 7.660 7.414 1.00 42.44 C ATOM 1255 CD2 LEU A 76 -2.074 6.254 6.737 1.00 12.41 C ATOM 0 H LEU A 76 0.410 6.148 3.339 1.00 31.03 H new ATOM 0 HA LEU A 76 -2.445 6.548 4.040 1.00 23.43 H new ATOM 0 HB2 LEU A 76 0.047 8.148 4.765 1.00 5.13 H new ATOM 0 HB3 LEU A 76 -1.587 8.538 5.265 1.00 5.13 H new ATOM 0 HG LEU A 76 -0.067 6.025 6.039 1.00 70.44 H new ATOM 0 HD11 LEU A 76 0.016 7.029 8.295 1.00 42.44 H new ATOM 0 HD12 LEU A 76 0.875 8.024 7.095 1.00 42.44 H new ATOM 0 HD13 LEU A 76 -0.743 8.507 7.658 1.00 42.44 H new ATOM 0 HD21 LEU A 76 -1.921 5.647 7.629 1.00 12.41 H new ATOM 0 HD22 LEU A 76 -2.773 7.060 6.962 1.00 12.41 H new ATOM 0 HD23 LEU A 76 -2.482 5.631 5.941 1.00 12.41 H new ATOM 1267 N ILE A 77 -2.879 8.061 2.127 1.00 51.30 N ATOM 1268 CA ILE A 77 -3.188 8.956 1.001 1.00 60.44 C ATOM 1269 C ILE A 77 -4.036 10.158 1.453 1.00 3.22 C ATOM 1270 O ILE A 77 -5.135 9.987 1.979 1.00 0.11 O ATOM 1271 CB ILE A 77 -3.942 8.192 -0.119 1.00 2.22 C ATOM 1272 CG1 ILE A 77 -3.106 6.995 -0.606 1.00 73.13 C ATOM 1273 CG2 ILE A 77 -4.277 9.125 -1.284 1.00 22.42 C ATOM 1274 CD1 ILE A 77 -3.812 6.122 -1.627 1.00 63.22 C ATOM 0 H ILE A 77 -3.682 7.539 2.479 1.00 51.30 H new ATOM 0 HA ILE A 77 -2.238 9.323 0.614 1.00 60.44 H new ATOM 0 HB ILE A 77 -4.879 7.817 0.293 1.00 2.22 H new ATOM 0 HG12 ILE A 77 -2.178 7.366 -1.041 1.00 73.13 H new ATOM 0 HG13 ILE A 77 -2.833 6.383 0.253 1.00 73.13 H new ATOM 0 HG21 ILE A 77 -4.805 8.567 -2.057 1.00 22.42 H new ATOM 0 HG22 ILE A 77 -4.909 9.939 -0.928 1.00 22.42 H new ATOM 0 HG23 ILE A 77 -3.356 9.535 -1.698 1.00 22.42 H new ATOM 0 HD11 ILE A 77 -3.157 5.301 -1.919 1.00 63.22 H new ATOM 0 HD12 ILE A 77 -4.726 5.719 -1.191 1.00 63.22 H new ATOM 0 HD13 ILE A 77 -4.061 6.718 -2.505 1.00 63.22 H new ATOM 1286 N LYS A 78 -3.520 11.370 1.243 1.00 20.23 N ATOM 1287 CA LYS A 78 -4.220 12.603 1.632 1.00 43.45 C ATOM 1288 C LYS A 78 -4.722 13.381 0.408 1.00 31.11 C ATOM 1289 O LYS A 78 -4.216 13.202 -0.700 1.00 35.32 O ATOM 1290 CB LYS A 78 -3.284 13.539 2.407 1.00 72.03 C ATOM 1291 CG LYS A 78 -2.508 12.902 3.550 1.00 13.54 C ATOM 1292 CD LYS A 78 -1.581 13.933 4.188 1.00 73.12 C ATOM 1293 CE LYS A 78 -0.534 13.304 5.093 1.00 73.54 C ATOM 1294 NZ LYS A 78 0.430 14.323 5.593 1.00 75.33 N ATOM 0 H LYS A 78 -2.614 11.528 0.803 1.00 20.23 H new ATOM 0 HA LYS A 78 -5.063 12.294 2.250 1.00 43.45 H new ATOM 0 HB2 LYS A 78 -2.571 13.971 1.705 1.00 72.03 H new ATOM 0 HB3 LYS A 78 -3.875 14.362 2.808 1.00 72.03 H new ATOM 0 HG2 LYS A 78 -3.199 12.511 4.296 1.00 13.54 H new ATOM 0 HG3 LYS A 78 -1.927 12.057 3.180 1.00 13.54 H new ATOM 0 HD2 LYS A 78 -1.082 14.501 3.403 1.00 73.12 H new ATOM 0 HD3 LYS A 78 -2.175 14.641 4.765 1.00 73.12 H new ATOM 0 HE2 LYS A 78 -1.024 12.818 5.937 1.00 73.54 H new ATOM 0 HE3 LYS A 78 0.003 12.529 4.547 1.00 73.54 H new ATOM 0 HZ1 LYS A 78 1.402 14.004 5.403 1.00 75.33 H new ATOM 0 HZ2 LYS A 78 0.262 15.228 5.108 1.00 75.33 H new ATOM 0 HZ3 LYS A 78 0.301 14.450 6.617 1.00 75.33 H new ATOM 1308 N ASP A 79 -5.712 14.253 0.628 1.00 41.23 N ATOM 1309 CA ASP A 79 -6.124 15.256 -0.369 1.00 41.23 C ATOM 1310 C ASP A 79 -6.511 14.602 -1.714 1.00 2.11 C ATOM 1311 O ASP A 79 -6.427 15.220 -2.774 1.00 35.33 O ATOM 1312 CB ASP A 79 -4.980 16.272 -0.554 1.00 44.33 C ATOM 1313 CG ASP A 79 -5.445 17.599 -1.129 1.00 62.03 C ATOM 1314 OD1 ASP A 79 -6.403 18.180 -0.579 1.00 63.11 O ATOM 1315 OD2 ASP A 79 -4.825 18.085 -2.099 1.00 72.53 O ATOM 0 H ASP A 79 -6.249 14.286 1.495 1.00 41.23 H new ATOM 0 HA ASP A 79 -7.015 15.770 -0.007 1.00 41.23 H new ATOM 0 HB2 ASP A 79 -4.501 16.449 0.409 1.00 44.33 H new ATOM 0 HB3 ASP A 79 -4.225 15.843 -1.212 1.00 44.33 H new ATOM 1320 N VAL A 80 -6.970 13.356 -1.642 1.00 13.14 N ATOM 1321 CA VAL A 80 -7.299 12.573 -2.837 1.00 2.41 C ATOM 1322 C VAL A 80 -8.672 12.973 -3.416 1.00 25.00 C ATOM 1323 O VAL A 80 -9.630 13.203 -2.671 1.00 71.24 O ATOM 1324 CB VAL A 80 -7.285 11.053 -2.503 1.00 52.24 C ATOM 1325 CG1 VAL A 80 -8.485 10.661 -1.652 1.00 22.00 C ATOM 1326 CG2 VAL A 80 -7.221 10.199 -3.762 1.00 1.34 C ATOM 0 H VAL A 80 -7.125 12.861 -0.764 1.00 13.14 H new ATOM 0 HA VAL A 80 -6.542 12.784 -3.592 1.00 2.41 H new ATOM 0 HB VAL A 80 -6.380 10.863 -1.925 1.00 52.24 H new ATOM 0 HG11 VAL A 80 -8.445 9.593 -1.437 1.00 22.00 H new ATOM 0 HG12 VAL A 80 -8.466 11.221 -0.717 1.00 22.00 H new ATOM 0 HG13 VAL A 80 -9.404 10.888 -2.192 1.00 22.00 H new ATOM 0 HG21 VAL A 80 -7.213 9.144 -3.486 1.00 1.34 H new ATOM 0 HG22 VAL A 80 -8.091 10.404 -4.386 1.00 1.34 H new ATOM 0 HG23 VAL A 80 -6.313 10.436 -4.317 1.00 1.34 H new ATOM 1336 N ASN A 81 -8.758 13.082 -4.742 1.00 61.51 N ATOM 1337 CA ASN A 81 -10.038 13.359 -5.413 1.00 34.00 C ATOM 1338 C ASN A 81 -10.376 12.271 -6.453 1.00 33.43 C ATOM 1339 O ASN A 81 -9.612 11.323 -6.634 1.00 63.24 O ATOM 1340 CB ASN A 81 -10.032 14.768 -6.043 1.00 45.20 C ATOM 1341 CG ASN A 81 -8.842 15.059 -6.954 1.00 61.40 C ATOM 1342 OD1 ASN A 81 -8.399 14.086 -7.726 1.00 12.35 O flip ATOM 1343 ND2 ASN A 81 -8.342 16.179 -6.992 1.00 12.20 N flip ATOM 0 H ASN A 81 -7.963 12.984 -5.374 1.00 61.51 H new ATOM 0 HA ASN A 81 -10.825 13.336 -4.660 1.00 34.00 H new ATOM 0 HB2 ASN A 81 -10.950 14.898 -6.616 1.00 45.20 H new ATOM 0 HB3 ASN A 81 -10.048 15.508 -5.243 1.00 45.20 H new ATOM 0 HD21 ASN A 81 -8.699 16.918 -6.386 1.00 12.20 H new ATOM 0 HD22 ASN A 81 -7.569 16.371 -7.629 1.00 12.20 H new ATOM 1350 N LYS A 82 -11.514 12.420 -7.141 1.00 5.11 N ATOM 1351 CA LYS A 82 -11.990 11.414 -8.115 1.00 1.31 C ATOM 1352 C LYS A 82 -10.886 10.914 -9.069 1.00 74.14 C ATOM 1353 O LYS A 82 -10.728 9.707 -9.271 1.00 63.22 O ATOM 1354 CB LYS A 82 -13.153 11.986 -8.943 1.00 74.55 C ATOM 1355 CG LYS A 82 -14.463 12.143 -8.173 1.00 31.31 C ATOM 1356 CD LYS A 82 -15.035 10.782 -7.770 1.00 75.55 C ATOM 1357 CE LYS A 82 -16.533 10.837 -7.503 1.00 11.43 C ATOM 1358 NZ LYS A 82 -17.111 9.472 -7.388 1.00 44.23 N ATOM 0 H LYS A 82 -12.129 13.228 -7.045 1.00 5.11 H new ATOM 0 HA LYS A 82 -12.321 10.557 -7.528 1.00 1.31 H new ATOM 0 HB2 LYS A 82 -12.858 12.959 -9.336 1.00 74.55 H new ATOM 0 HB3 LYS A 82 -13.326 11.336 -9.800 1.00 74.55 H new ATOM 0 HG2 LYS A 82 -14.294 12.748 -7.282 1.00 31.31 H new ATOM 0 HG3 LYS A 82 -15.187 12.677 -8.788 1.00 31.31 H new ATOM 0 HD2 LYS A 82 -14.836 10.059 -8.561 1.00 75.55 H new ATOM 0 HD3 LYS A 82 -14.522 10.426 -6.876 1.00 75.55 H new ATOM 0 HE2 LYS A 82 -16.721 11.392 -6.584 1.00 11.43 H new ATOM 0 HE3 LYS A 82 -17.029 11.378 -8.309 1.00 11.43 H new ATOM 0 HZ1 LYS A 82 -18.135 9.542 -7.223 1.00 44.23 H new ATOM 0 HZ2 LYS A 82 -16.937 8.946 -8.268 1.00 44.23 H new ATOM 0 HZ3 LYS A 82 -16.665 8.972 -6.592 1.00 44.23 H new ATOM 1372 N LYS A 83 -10.126 11.836 -9.645 1.00 13.44 N ATOM 1373 CA LYS A 83 -9.112 11.490 -10.653 1.00 44.50 C ATOM 1374 C LYS A 83 -7.963 10.630 -10.087 1.00 4.41 C ATOM 1375 O LYS A 83 -7.176 10.066 -10.846 1.00 72.05 O ATOM 1376 CB LYS A 83 -8.539 12.768 -11.281 1.00 2.14 C ATOM 1377 CG LYS A 83 -9.590 13.666 -11.930 1.00 61.45 C ATOM 1378 CD LYS A 83 -10.387 12.934 -13.008 1.00 1.14 C ATOM 1379 CE LYS A 83 -9.500 12.444 -14.149 1.00 53.22 C ATOM 1380 NZ LYS A 83 -10.287 11.750 -15.201 1.00 63.30 N ATOM 0 H LYS A 83 -10.187 12.833 -9.436 1.00 13.44 H new ATOM 0 HA LYS A 83 -9.617 10.889 -11.410 1.00 44.50 H new ATOM 0 HB2 LYS A 83 -8.016 13.336 -10.511 1.00 2.14 H new ATOM 0 HB3 LYS A 83 -7.799 12.491 -12.032 1.00 2.14 H new ATOM 0 HG2 LYS A 83 -10.272 14.036 -11.165 1.00 61.45 H new ATOM 0 HG3 LYS A 83 -9.101 14.536 -12.369 1.00 61.45 H new ATOM 0 HD2 LYS A 83 -10.904 12.084 -12.561 1.00 1.14 H new ATOM 0 HD3 LYS A 83 -11.153 13.600 -13.406 1.00 1.14 H new ATOM 0 HE2 LYS A 83 -8.973 13.291 -14.589 1.00 53.22 H new ATOM 0 HE3 LYS A 83 -8.743 11.766 -13.755 1.00 53.22 H new ATOM 0 HZ1 LYS A 83 -9.649 11.432 -15.959 1.00 63.30 H new ATOM 0 HZ2 LYS A 83 -10.770 10.927 -14.787 1.00 63.30 H new ATOM 0 HZ3 LYS A 83 -10.993 12.404 -15.595 1.00 63.30 H new ATOM 1394 N ASP A 84 -7.864 10.529 -8.761 1.00 64.21 N ATOM 1395 CA ASP A 84 -6.776 9.773 -8.126 1.00 14.35 C ATOM 1396 C ASP A 84 -7.194 8.342 -7.741 1.00 15.04 C ATOM 1397 O ASP A 84 -6.355 7.539 -7.325 1.00 23.22 O ATOM 1398 CB ASP A 84 -6.280 10.507 -6.879 1.00 71.52 C ATOM 1399 CG ASP A 84 -5.821 11.921 -7.177 1.00 61.41 C ATOM 1400 OD1 ASP A 84 -4.942 12.093 -8.050 1.00 12.50 O ATOM 1401 OD2 ASP A 84 -6.335 12.864 -6.553 1.00 25.11 O ATOM 0 H ASP A 84 -8.518 10.957 -8.106 1.00 64.21 H new ATOM 0 HA ASP A 84 -5.976 9.697 -8.862 1.00 14.35 H new ATOM 0 HB2 ASP A 84 -7.079 10.537 -6.138 1.00 71.52 H new ATOM 0 HB3 ASP A 84 -5.456 9.947 -6.437 1.00 71.52 H new ATOM 1406 N ALA A 85 -8.480 8.018 -7.883 1.00 0.31 N ATOM 1407 CA ALA A 85 -8.979 6.699 -7.470 1.00 52.51 C ATOM 1408 C ALA A 85 -8.728 5.623 -8.543 1.00 22.10 C ATOM 1409 O ALA A 85 -8.842 5.880 -9.745 1.00 73.34 O ATOM 1410 CB ALA A 85 -10.469 6.781 -7.153 1.00 52.15 C ATOM 0 H ALA A 85 -9.189 8.638 -8.275 1.00 0.31 H new ATOM 0 HA ALA A 85 -8.429 6.406 -6.576 1.00 52.51 H new ATOM 0 HB1 ALA A 85 -10.831 5.799 -6.848 1.00 52.15 H new ATOM 0 HB2 ALA A 85 -10.630 7.494 -6.345 1.00 52.15 H new ATOM 0 HB3 ALA A 85 -11.012 7.108 -8.040 1.00 52.15 H new ATOM 1416 N GLY A 86 -8.416 4.412 -8.084 1.00 14.41 N ATOM 1417 CA GLY A 86 -8.172 3.284 -8.981 1.00 32.42 C ATOM 1418 C GLY A 86 -7.802 2.013 -8.222 1.00 2.42 C ATOM 1419 O GLY A 86 -7.866 1.977 -6.990 1.00 63.42 O ATOM 0 H GLY A 86 -8.326 4.187 -7.093 1.00 14.41 H new ATOM 0 HA2 GLY A 86 -9.063 3.100 -9.581 1.00 32.42 H new ATOM 0 HA3 GLY A 86 -7.369 3.539 -9.672 1.00 32.42 H new ATOM 1423 N TRP A 87 -7.411 0.970 -8.948 1.00 54.34 N ATOM 1424 CA TRP A 87 -6.936 -0.271 -8.325 1.00 12.23 C ATOM 1425 C TRP A 87 -5.421 -0.240 -8.072 1.00 74.03 C ATOM 1426 O TRP A 87 -4.623 -0.068 -8.996 1.00 73.10 O ATOM 1427 CB TRP A 87 -7.299 -1.491 -9.185 1.00 24.13 C ATOM 1428 CG TRP A 87 -8.621 -2.098 -8.822 1.00 41.11 C ATOM 1429 CD1 TRP A 87 -9.847 -1.769 -9.323 1.00 30.30 C ATOM 1430 CD2 TRP A 87 -8.844 -3.135 -7.861 1.00 25.43 C ATOM 1431 NE1 TRP A 87 -10.816 -2.546 -8.739 1.00 0.33 N ATOM 1432 CE2 TRP A 87 -10.225 -3.392 -7.835 1.00 32.12 C ATOM 1433 CE3 TRP A 87 -8.005 -3.876 -7.021 1.00 70.43 C ATOM 1434 CZ2 TRP A 87 -10.787 -4.356 -7.003 1.00 11.12 C ATOM 1435 CZ3 TRP A 87 -8.564 -4.831 -6.194 1.00 53.13 C ATOM 1436 CH2 TRP A 87 -9.944 -5.063 -6.190 1.00 52.13 C ATOM 0 H TRP A 87 -7.412 0.955 -9.968 1.00 54.34 H new ATOM 0 HA TRP A 87 -7.437 -0.355 -7.361 1.00 12.23 H new ATOM 0 HB2 TRP A 87 -7.318 -1.195 -10.234 1.00 24.13 H new ATOM 0 HB3 TRP A 87 -6.519 -2.246 -9.081 1.00 24.13 H new ATOM 0 HD1 TRP A 87 -10.028 -1.009 -10.069 1.00 30.30 H new ATOM 0 HE1 TRP A 87 -11.814 -2.502 -8.944 1.00 0.33 H new ATOM 0 HE3 TRP A 87 -6.939 -3.704 -7.019 1.00 70.43 H new ATOM 0 HZ2 TRP A 87 -11.851 -4.539 -6.999 1.00 11.12 H new ATOM 0 HZ3 TRP A 87 -7.926 -5.407 -5.540 1.00 53.13 H new ATOM 0 HH2 TRP A 87 -10.352 -5.816 -5.532 1.00 52.13 H new ATOM 1447 N TYR A 88 -5.039 -0.428 -6.813 1.00 1.51 N ATOM 1448 CA TYR A 88 -3.630 -0.467 -6.404 1.00 22.01 C ATOM 1449 C TYR A 88 -3.100 -1.913 -6.349 1.00 74.32 C ATOM 1450 O TYR A 88 -3.864 -2.860 -6.180 1.00 25.33 O ATOM 1451 CB TYR A 88 -3.459 0.197 -5.029 1.00 10.02 C ATOM 1452 CG TYR A 88 -3.713 1.694 -5.028 1.00 2.43 C ATOM 1453 CD1 TYR A 88 -5.007 2.204 -5.039 1.00 14.21 C ATOM 1454 CD2 TYR A 88 -2.653 2.597 -5.019 1.00 10.21 C ATOM 1455 CE1 TYR A 88 -5.236 3.569 -5.045 1.00 15.20 C ATOM 1456 CE2 TYR A 88 -2.875 3.959 -5.021 1.00 71.44 C ATOM 1457 CZ TYR A 88 -4.166 4.441 -5.035 1.00 42.13 C ATOM 1458 OH TYR A 88 -4.387 5.800 -5.049 1.00 14.24 O ATOM 0 H TYR A 88 -5.695 -0.558 -6.043 1.00 1.51 H new ATOM 0 HA TYR A 88 -3.053 0.081 -7.149 1.00 22.01 H new ATOM 0 HB2 TYR A 88 -4.140 -0.277 -4.321 1.00 10.02 H new ATOM 0 HB3 TYR A 88 -2.447 0.011 -4.671 1.00 10.02 H new ATOM 0 HD1 TYR A 88 -5.846 1.524 -5.043 1.00 14.21 H new ATOM 0 HD2 TYR A 88 -1.639 2.225 -5.010 1.00 10.21 H new ATOM 0 HE1 TYR A 88 -6.247 3.950 -5.057 1.00 15.20 H new ATOM 0 HE2 TYR A 88 -2.040 4.644 -5.012 1.00 71.44 H new ATOM 0 HH TYR A 88 -3.528 6.271 -5.038 1.00 14.24 H new ATOM 1468 N THR A 89 -1.795 -2.074 -6.522 1.00 33.22 N ATOM 1469 CA THR A 89 -1.148 -3.389 -6.425 1.00 25.21 C ATOM 1470 C THR A 89 0.193 -3.277 -5.688 1.00 14.13 C ATOM 1471 O THR A 89 1.042 -2.465 -6.054 1.00 74.10 O ATOM 1472 CB THR A 89 -0.908 -4.011 -7.824 1.00 75.31 C ATOM 1473 OG1 THR A 89 -2.156 -4.132 -8.530 1.00 2.32 O ATOM 1474 CG2 THR A 89 -0.255 -5.387 -7.715 1.00 61.11 C ATOM 0 H THR A 89 -1.154 -1.309 -6.732 1.00 33.22 H new ATOM 0 HA THR A 89 -1.822 -4.038 -5.866 1.00 25.21 H new ATOM 0 HB THR A 89 -0.235 -3.350 -8.371 1.00 75.31 H new ATOM 0 HG1 THR A 89 -2.616 -4.948 -8.244 1.00 2.32 H new ATOM 0 HG21 THR A 89 -0.100 -5.796 -8.713 1.00 61.11 H new ATOM 0 HG22 THR A 89 0.705 -5.295 -7.208 1.00 61.11 H new ATOM 0 HG23 THR A 89 -0.903 -6.053 -7.146 1.00 61.11 H new ATOM 1482 N VAL A 90 0.376 -4.090 -4.648 1.00 72.14 N ATOM 1483 CA VAL A 90 1.595 -4.047 -3.834 1.00 70.14 C ATOM 1484 C VAL A 90 2.440 -5.325 -3.994 1.00 20.22 C ATOM 1485 O VAL A 90 1.947 -6.445 -3.832 1.00 74.42 O ATOM 1486 CB VAL A 90 1.261 -3.823 -2.335 1.00 62.10 C ATOM 1487 CG1 VAL A 90 0.283 -4.881 -1.824 1.00 54.12 C ATOM 1488 CG2 VAL A 90 2.536 -3.800 -1.492 1.00 3.14 C ATOM 0 H VAL A 90 -0.304 -4.788 -4.347 1.00 72.14 H new ATOM 0 HA VAL A 90 2.183 -3.204 -4.196 1.00 70.14 H new ATOM 0 HB VAL A 90 0.776 -2.851 -2.240 1.00 62.10 H new ATOM 0 HG11 VAL A 90 0.067 -4.699 -0.771 1.00 54.12 H new ATOM 0 HG12 VAL A 90 -0.642 -4.829 -2.398 1.00 54.12 H new ATOM 0 HG13 VAL A 90 0.725 -5.871 -1.938 1.00 54.12 H new ATOM 0 HG21 VAL A 90 2.277 -3.642 -0.445 1.00 3.14 H new ATOM 0 HG22 VAL A 90 3.059 -4.751 -1.597 1.00 3.14 H new ATOM 0 HG23 VAL A 90 3.183 -2.991 -1.832 1.00 3.14 H new ATOM 1498 N SER A 91 3.716 -5.142 -4.323 1.00 4.30 N ATOM 1499 CA SER A 91 4.664 -6.260 -4.466 1.00 10.23 C ATOM 1500 C SER A 91 5.816 -6.142 -3.461 1.00 35.23 C ATOM 1501 O SER A 91 6.555 -5.158 -3.466 1.00 24.42 O ATOM 1502 CB SER A 91 5.235 -6.308 -5.893 1.00 74.53 C ATOM 1503 OG SER A 91 4.221 -6.578 -6.850 1.00 32.10 O ATOM 0 H SER A 91 4.126 -4.225 -4.498 1.00 4.30 H new ATOM 0 HA SER A 91 4.116 -7.181 -4.265 1.00 10.23 H new ATOM 0 HB2 SER A 91 5.714 -5.357 -6.127 1.00 74.53 H new ATOM 0 HB3 SER A 91 6.006 -7.076 -5.952 1.00 74.53 H new ATOM 0 HG SER A 91 4.615 -6.601 -7.747 1.00 32.10 H new ATOM 1509 N ALA A 92 5.959 -7.142 -2.596 1.00 2.12 N ATOM 1510 CA ALA A 92 7.053 -7.177 -1.620 1.00 54.24 C ATOM 1511 C ALA A 92 8.103 -8.228 -2.011 1.00 41.45 C ATOM 1512 O ALA A 92 7.820 -9.429 -2.017 1.00 33.15 O ATOM 1513 CB ALA A 92 6.501 -7.471 -0.228 1.00 25.11 C ATOM 0 H ALA A 92 5.330 -7.944 -2.548 1.00 2.12 H new ATOM 0 HA ALA A 92 7.538 -6.201 -1.611 1.00 54.24 H new ATOM 0 HB1 ALA A 92 7.320 -7.495 0.491 1.00 25.11 H new ATOM 0 HB2 ALA A 92 5.793 -6.692 0.055 1.00 25.11 H new ATOM 0 HB3 ALA A 92 5.995 -8.436 -0.234 1.00 25.11 H new ATOM 1519 N VAL A 93 9.318 -7.777 -2.329 1.00 53.32 N ATOM 1520 CA VAL A 93 10.381 -8.688 -2.777 1.00 32.44 C ATOM 1521 C VAL A 93 11.527 -8.813 -1.753 1.00 64.11 C ATOM 1522 O VAL A 93 12.200 -7.839 -1.406 1.00 63.54 O ATOM 1523 CB VAL A 93 10.950 -8.265 -4.159 1.00 55.02 C ATOM 1524 CG1 VAL A 93 11.518 -6.848 -4.120 1.00 30.42 C ATOM 1525 CG2 VAL A 93 12.006 -9.262 -4.641 1.00 41.14 C ATOM 0 H VAL A 93 9.592 -6.795 -2.286 1.00 53.32 H new ATOM 0 HA VAL A 93 9.914 -9.668 -2.873 1.00 32.44 H new ATOM 0 HB VAL A 93 10.125 -8.270 -4.871 1.00 55.02 H new ATOM 0 HG11 VAL A 93 11.907 -6.585 -5.103 1.00 30.42 H new ATOM 0 HG12 VAL A 93 10.730 -6.148 -3.842 1.00 30.42 H new ATOM 0 HG13 VAL A 93 12.322 -6.799 -3.386 1.00 30.42 H new ATOM 0 HG21 VAL A 93 12.390 -8.945 -5.611 1.00 41.14 H new ATOM 0 HG22 VAL A 93 12.824 -9.301 -3.922 1.00 41.14 H new ATOM 0 HG23 VAL A 93 11.557 -10.251 -4.734 1.00 41.14 H new ATOM 1535 N ASN A 94 11.709 -10.031 -1.253 1.00 70.42 N ATOM 1536 CA ASN A 94 12.823 -10.381 -0.366 1.00 50.34 C ATOM 1537 C ASN A 94 13.789 -11.320 -1.111 1.00 21.44 C ATOM 1538 O ASN A 94 13.378 -12.045 -2.017 1.00 12.43 O ATOM 1539 CB ASN A 94 12.264 -11.074 0.896 1.00 0.40 C ATOM 1540 CG ASN A 94 13.311 -11.377 1.961 1.00 5.23 C ATOM 1541 OD1 ASN A 94 14.490 -11.515 1.681 1.00 65.22 O ATOM 1542 ND2 ASN A 94 12.879 -11.530 3.192 1.00 60.31 N ATOM 0 H ASN A 94 11.084 -10.813 -1.451 1.00 70.42 H new ATOM 0 HA ASN A 94 13.364 -9.483 -0.068 1.00 50.34 H new ATOM 0 HB2 ASN A 94 11.492 -10.440 1.332 1.00 0.40 H new ATOM 0 HB3 ASN A 94 11.782 -12.006 0.601 1.00 0.40 H new ATOM 0 HD21 ASN A 94 13.534 -11.769 3.936 1.00 60.31 H new ATOM 0 HD22 ASN A 94 11.888 -11.410 3.404 1.00 60.31 H new ATOM 1549 N GLU A 95 15.066 -11.306 -0.742 1.00 4.51 N ATOM 1550 CA GLU A 95 16.041 -12.245 -1.312 1.00 54.14 C ATOM 1551 C GLU A 95 15.563 -13.702 -1.146 1.00 60.55 C ATOM 1552 O GLU A 95 15.770 -14.544 -2.018 1.00 75.02 O ATOM 1553 CB GLU A 95 17.408 -12.060 -0.631 1.00 64.43 C ATOM 1554 CG GLU A 95 17.384 -12.316 0.876 1.00 13.11 C ATOM 1555 CD GLU A 95 18.761 -12.256 1.512 1.00 33.04 C ATOM 1556 OE1 GLU A 95 19.522 -13.238 1.377 1.00 53.31 O ATOM 1557 OE2 GLU A 95 19.092 -11.234 2.146 1.00 11.34 O ATOM 0 H GLU A 95 15.454 -10.660 -0.054 1.00 4.51 H new ATOM 0 HA GLU A 95 16.138 -12.035 -2.377 1.00 54.14 H new ATOM 0 HB2 GLU A 95 18.129 -12.734 -1.094 1.00 64.43 H new ATOM 0 HB3 GLU A 95 17.760 -11.044 -0.812 1.00 64.43 H new ATOM 0 HG2 GLU A 95 16.737 -11.580 1.353 1.00 13.11 H new ATOM 0 HG3 GLU A 95 16.945 -13.296 1.065 1.00 13.11 H new ATOM 1564 N ALA A 96 14.929 -13.983 -0.007 1.00 50.35 N ATOM 1565 CA ALA A 96 14.397 -15.318 0.296 1.00 23.22 C ATOM 1566 C ALA A 96 13.129 -15.672 -0.515 1.00 31.22 C ATOM 1567 O ALA A 96 12.786 -16.847 -0.650 1.00 41.31 O ATOM 1568 CB ALA A 96 14.122 -15.430 1.790 1.00 73.24 C ATOM 0 H ALA A 96 14.769 -13.297 0.731 1.00 50.35 H new ATOM 0 HA ALA A 96 15.157 -16.040 -0.002 1.00 23.22 H new ATOM 0 HB1 ALA A 96 13.727 -16.421 2.014 1.00 73.24 H new ATOM 0 HB2 ALA A 96 15.048 -15.275 2.343 1.00 73.24 H new ATOM 0 HB3 ALA A 96 13.393 -14.674 2.083 1.00 73.24 H new ATOM 1574 N GLY A 97 12.429 -14.661 -1.042 1.00 53.02 N ATOM 1575 CA GLY A 97 11.177 -14.911 -1.771 1.00 65.14 C ATOM 1576 C GLY A 97 10.376 -13.641 -2.073 1.00 40.43 C ATOM 1577 O GLY A 97 10.737 -12.552 -1.628 1.00 64.21 O ATOM 0 H GLY A 97 12.700 -13.679 -0.981 1.00 53.02 H new ATOM 0 HA2 GLY A 97 11.408 -15.416 -2.709 1.00 65.14 H new ATOM 0 HA3 GLY A 97 10.557 -15.591 -1.187 1.00 65.14 H new ATOM 1581 N VAL A 98 9.266 -13.778 -2.807 1.00 13.51 N ATOM 1582 CA VAL A 98 8.467 -12.615 -3.238 1.00 45.12 C ATOM 1583 C VAL A 98 6.947 -12.877 -3.148 1.00 62.43 C ATOM 1584 O VAL A 98 6.481 -13.997 -3.366 1.00 43.12 O ATOM 1585 CB VAL A 98 8.838 -12.204 -4.691 1.00 51.11 C ATOM 1586 CG1 VAL A 98 8.550 -13.341 -5.675 1.00 11.12 C ATOM 1587 CG2 VAL A 98 8.109 -10.924 -5.104 1.00 20.43 C ATOM 0 H VAL A 98 8.898 -14.678 -3.116 1.00 13.51 H new ATOM 0 HA VAL A 98 8.706 -11.802 -2.553 1.00 45.12 H new ATOM 0 HB VAL A 98 9.909 -12.002 -4.717 1.00 51.11 H new ATOM 0 HG11 VAL A 98 8.819 -13.026 -6.683 1.00 11.12 H new ATOM 0 HG12 VAL A 98 9.137 -14.218 -5.400 1.00 11.12 H new ATOM 0 HG13 VAL A 98 7.489 -13.590 -5.643 1.00 11.12 H new ATOM 0 HG21 VAL A 98 8.387 -10.660 -6.124 1.00 20.43 H new ATOM 0 HG22 VAL A 98 7.032 -11.085 -5.052 1.00 20.43 H new ATOM 0 HG23 VAL A 98 8.387 -10.113 -4.431 1.00 20.43 H new ATOM 1597 N THR A 99 6.179 -11.833 -2.815 1.00 40.41 N ATOM 1598 CA THR A 99 4.712 -11.932 -2.734 1.00 63.30 C ATOM 1599 C THR A 99 4.026 -10.654 -3.250 1.00 41.21 C ATOM 1600 O THR A 99 4.514 -9.541 -3.035 1.00 24.23 O ATOM 1601 CB THR A 99 4.236 -12.217 -1.288 1.00 11.21 C ATOM 1602 OG1 THR A 99 2.804 -12.332 -1.248 1.00 22.53 O ATOM 1603 CG2 THR A 99 4.684 -11.117 -0.330 1.00 64.54 C ATOM 0 H THR A 99 6.547 -10.907 -2.596 1.00 40.41 H new ATOM 0 HA THR A 99 4.427 -12.769 -3.372 1.00 63.30 H new ATOM 0 HB THR A 99 4.687 -13.157 -0.971 1.00 11.21 H new ATOM 0 HG1 THR A 99 2.411 -11.455 -1.058 1.00 22.53 H new ATOM 0 HG21 THR A 99 4.334 -11.346 0.677 1.00 64.54 H new ATOM 0 HG22 THR A 99 5.772 -11.055 -0.331 1.00 64.54 H new ATOM 0 HG23 THR A 99 4.266 -10.163 -0.651 1.00 64.54 H new ATOM 1611 N THR A 100 2.897 -10.818 -3.942 1.00 61.43 N ATOM 1612 CA THR A 100 2.138 -9.678 -4.487 1.00 1.13 C ATOM 1613 C THR A 100 0.647 -9.752 -4.104 1.00 33.13 C ATOM 1614 O THR A 100 0.072 -10.837 -4.003 1.00 24.21 O ATOM 1615 CB THR A 100 2.267 -9.606 -6.036 1.00 62.44 C ATOM 1616 OG1 THR A 100 3.641 -9.410 -6.409 1.00 33.10 O ATOM 1617 CG2 THR A 100 1.415 -8.481 -6.622 1.00 50.44 C ATOM 0 H THR A 100 2.483 -11.729 -4.141 1.00 61.43 H new ATOM 0 HA THR A 100 2.568 -8.777 -4.049 1.00 1.13 H new ATOM 0 HB THR A 100 1.906 -10.552 -6.439 1.00 62.44 H new ATOM 0 HG1 THR A 100 3.808 -8.455 -6.552 1.00 33.10 H new ATOM 0 HG21 THR A 100 1.532 -8.463 -7.706 1.00 50.44 H new ATOM 0 HG22 THR A 100 0.367 -8.650 -6.373 1.00 50.44 H new ATOM 0 HG23 THR A 100 1.737 -7.526 -6.206 1.00 50.44 H new ATOM 1625 N CYS A 101 0.032 -8.590 -3.876 1.00 34.34 N ATOM 1626 CA CYS A 101 -1.409 -8.502 -3.574 1.00 31.32 C ATOM 1627 C CYS A 101 -2.018 -7.220 -4.166 1.00 31.34 C ATOM 1628 O CYS A 101 -1.297 -6.357 -4.664 1.00 2.42 O ATOM 1629 CB CYS A 101 -1.649 -8.545 -2.058 1.00 40.30 C ATOM 1630 SG CYS A 101 -3.394 -8.501 -1.582 1.00 70.10 S ATOM 0 H CYS A 101 0.508 -7.688 -3.894 1.00 34.34 H new ATOM 0 HA CYS A 101 -1.898 -9.362 -4.032 1.00 31.32 H new ATOM 0 HB2 CYS A 101 -1.197 -9.451 -1.655 1.00 40.30 H new ATOM 0 HB3 CYS A 101 -1.137 -7.701 -1.596 1.00 40.30 H new ATOM 0 HG CYS A 101 -3.492 -8.544 -0.286 1.00 70.10 H new ATOM 1636 N ASN A 102 -3.344 -7.092 -4.107 1.00 41.03 N ATOM 1637 CA ASN A 102 -4.037 -5.943 -4.710 1.00 61.54 C ATOM 1638 C ASN A 102 -4.851 -5.152 -3.672 1.00 42.44 C ATOM 1639 O ASN A 102 -5.179 -5.658 -2.600 1.00 54.14 O ATOM 1640 CB ASN A 102 -4.956 -6.403 -5.848 1.00 32.52 C ATOM 1641 CG ASN A 102 -4.207 -7.169 -6.923 1.00 43.31 C ATOM 1642 OD1 ASN A 102 -3.653 -6.461 -7.888 1.00 2.14 O flip ATOM 1643 ND2 ASN A 102 -4.119 -8.393 -6.885 1.00 21.11 N flip ATOM 0 H ASN A 102 -3.961 -7.764 -3.651 1.00 41.03 H new ATOM 0 HA ASN A 102 -3.269 -5.281 -5.110 1.00 61.54 H new ATOM 0 HB2 ASN A 102 -5.747 -7.033 -5.441 1.00 32.52 H new ATOM 0 HB3 ASN A 102 -5.439 -5.534 -6.295 1.00 32.52 H new ATOM 0 HD21 ASN A 102 -4.559 -8.913 -6.125 1.00 21.11 H new ATOM 0 HD22 ASN A 102 -3.606 -8.890 -7.613 1.00 21.11 H new ATOM 1650 N THR A 103 -5.168 -3.903 -4.005 1.00 2.05 N ATOM 1651 CA THR A 103 -5.913 -3.006 -3.108 1.00 54.44 C ATOM 1652 C THR A 103 -6.886 -2.122 -3.904 1.00 33.34 C ATOM 1653 O THR A 103 -6.603 -1.747 -5.039 1.00 43.42 O ATOM 1654 CB THR A 103 -4.954 -2.086 -2.309 1.00 23.23 C ATOM 1655 OG1 THR A 103 -3.943 -2.867 -1.657 1.00 2.55 O ATOM 1656 CG2 THR A 103 -5.711 -1.268 -1.266 1.00 52.00 C ATOM 0 H THR A 103 -4.919 -3.480 -4.899 1.00 2.05 H new ATOM 0 HA THR A 103 -6.469 -3.638 -2.415 1.00 54.44 H new ATOM 0 HB THR A 103 -4.488 -1.401 -3.017 1.00 23.23 H new ATOM 0 HG1 THR A 103 -3.343 -2.274 -1.157 1.00 2.55 H new ATOM 0 HG21 THR A 103 -5.011 -0.633 -0.723 1.00 52.00 H new ATOM 0 HG22 THR A 103 -6.455 -0.645 -1.762 1.00 52.00 H new ATOM 0 HG23 THR A 103 -6.208 -1.940 -0.567 1.00 52.00 H new ATOM 1664 N ARG A 104 -8.028 -1.786 -3.314 1.00 23.30 N ATOM 1665 CA ARG A 104 -9.007 -0.912 -3.977 1.00 74.44 C ATOM 1666 C ARG A 104 -9.282 0.361 -3.156 1.00 12.30 C ATOM 1667 O ARG A 104 -9.385 0.313 -1.932 1.00 1.31 O ATOM 1668 CB ARG A 104 -10.319 -1.671 -4.228 1.00 13.53 C ATOM 1669 CG ARG A 104 -11.422 -0.804 -4.834 1.00 32.14 C ATOM 1670 CD ARG A 104 -12.708 -1.585 -5.096 1.00 35.53 C ATOM 1671 NE ARG A 104 -13.803 -0.692 -5.463 1.00 52.43 N ATOM 1672 CZ ARG A 104 -14.919 -1.069 -6.021 1.00 5.12 C ATOM 1673 NH1 ARG A 104 -15.116 -2.307 -6.347 1.00 72.45 N ATOM 1674 NH2 ARG A 104 -15.839 -0.191 -6.253 1.00 24.52 N ATOM 0 H ARG A 104 -8.304 -2.100 -2.384 1.00 23.30 H new ATOM 0 HA ARG A 104 -8.580 -0.607 -4.933 1.00 74.44 H new ATOM 0 HB2 ARG A 104 -10.121 -2.511 -4.894 1.00 13.53 H new ATOM 0 HB3 ARG A 104 -10.673 -2.089 -3.286 1.00 13.53 H new ATOM 0 HG2 ARG A 104 -11.637 0.026 -4.161 1.00 32.14 H new ATOM 0 HG3 ARG A 104 -11.067 -0.373 -5.770 1.00 32.14 H new ATOM 0 HD2 ARG A 104 -12.541 -2.308 -5.895 1.00 35.53 H new ATOM 0 HD3 ARG A 104 -12.980 -2.152 -4.205 1.00 35.53 H new ATOM 0 HE ARG A 104 -13.686 0.302 -5.268 1.00 52.43 H new ATOM 0 HH11 ARG A 104 -14.392 -3.003 -6.168 1.00 72.45 H new ATOM 0 HH12 ARG A 104 -15.995 -2.586 -6.783 1.00 72.45 H new ATOM 0 HH21 ARG A 104 -15.688 0.785 -6.000 1.00 24.52 H new ATOM 0 HH22 ARG A 104 -16.716 -0.475 -6.689 1.00 24.52 H new ATOM 1688 N LEU A 105 -9.397 1.495 -3.847 1.00 11.31 N ATOM 1689 CA LEU A 105 -9.717 2.777 -3.204 1.00 20.30 C ATOM 1690 C LEU A 105 -10.805 3.521 -3.988 1.00 31.14 C ATOM 1691 O LEU A 105 -10.630 3.826 -5.169 1.00 1.31 O ATOM 1692 CB LEU A 105 -8.460 3.656 -3.100 1.00 35.13 C ATOM 1693 CG LEU A 105 -8.697 5.084 -2.571 1.00 71.20 C ATOM 1694 CD1 LEU A 105 -9.278 5.057 -1.159 1.00 54.03 C ATOM 1695 CD2 LEU A 105 -7.404 5.898 -2.615 1.00 54.23 C ATOM 0 H LEU A 105 -9.273 1.555 -4.858 1.00 11.31 H new ATOM 0 HA LEU A 105 -10.088 2.567 -2.201 1.00 20.30 H new ATOM 0 HB2 LEU A 105 -7.742 3.159 -2.447 1.00 35.13 H new ATOM 0 HB3 LEU A 105 -8.001 3.723 -4.086 1.00 35.13 H new ATOM 0 HG LEU A 105 -9.426 5.568 -3.221 1.00 71.20 H new ATOM 0 HD11 LEU A 105 -9.435 6.078 -0.811 1.00 54.03 H new ATOM 0 HD12 LEU A 105 -10.230 4.526 -1.167 1.00 54.03 H new ATOM 0 HD13 LEU A 105 -8.584 4.548 -0.490 1.00 54.03 H new ATOM 0 HD21 LEU A 105 -7.594 6.903 -2.237 1.00 54.23 H new ATOM 0 HD22 LEU A 105 -6.648 5.414 -1.996 1.00 54.23 H new ATOM 0 HD23 LEU A 105 -7.047 5.958 -3.643 1.00 54.23 H new ATOM 1707 N ASP A 106 -11.923 3.817 -3.329 1.00 54.32 N ATOM 1708 CA ASP A 106 -13.029 4.538 -3.970 1.00 2.14 C ATOM 1709 C ASP A 106 -13.152 5.970 -3.419 1.00 74.00 C ATOM 1710 O ASP A 106 -13.001 6.206 -2.220 1.00 30.11 O ATOM 1711 CB ASP A 106 -14.344 3.780 -3.755 1.00 35.42 C ATOM 1712 CG ASP A 106 -14.308 2.380 -4.346 1.00 54.55 C ATOM 1713 OD1 ASP A 106 -14.636 2.223 -5.544 1.00 3.20 O ATOM 1714 OD2 ASP A 106 -13.956 1.429 -3.619 1.00 45.10 O ATOM 0 H ASP A 106 -12.090 3.571 -2.353 1.00 54.32 H new ATOM 0 HA ASP A 106 -12.819 4.601 -5.038 1.00 2.14 H new ATOM 0 HB2 ASP A 106 -14.553 3.716 -2.687 1.00 35.42 H new ATOM 0 HB3 ASP A 106 -15.162 4.341 -4.207 1.00 35.42 H new ATOM 1719 N VAL A 107 -13.423 6.929 -4.302 1.00 20.13 N ATOM 1720 CA VAL A 107 -13.563 8.334 -3.902 1.00 2.11 C ATOM 1721 C VAL A 107 -14.918 8.907 -4.346 1.00 42.05 C ATOM 1722 O VAL A 107 -15.436 8.562 -5.408 1.00 10.45 O ATOM 1723 CB VAL A 107 -12.418 9.208 -4.484 1.00 45.44 C ATOM 1724 CG1 VAL A 107 -12.557 10.665 -4.045 1.00 24.41 C ATOM 1725 CG2 VAL A 107 -11.052 8.654 -4.076 1.00 42.42 C ATOM 0 H VAL A 107 -13.551 6.762 -5.300 1.00 20.13 H new ATOM 0 HA VAL A 107 -13.506 8.360 -2.814 1.00 2.11 H new ATOM 0 HB VAL A 107 -12.494 9.174 -5.571 1.00 45.44 H new ATOM 0 HG11 VAL A 107 -11.742 11.252 -4.468 1.00 24.41 H new ATOM 0 HG12 VAL A 107 -13.510 11.062 -4.396 1.00 24.41 H new ATOM 0 HG13 VAL A 107 -12.519 10.722 -2.957 1.00 24.41 H new ATOM 0 HG21 VAL A 107 -10.265 9.281 -4.495 1.00 42.42 H new ATOM 0 HG22 VAL A 107 -10.972 8.648 -2.989 1.00 42.42 H new ATOM 0 HG23 VAL A 107 -10.944 7.637 -4.453 1.00 42.42 H new ATOM 1735 N THR A 108 -15.483 9.786 -3.524 1.00 73.13 N ATOM 1736 CA THR A 108 -16.776 10.416 -3.809 1.00 41.40 C ATOM 1737 C THR A 108 -16.649 11.945 -3.795 1.00 4.21 C ATOM 1738 O THR A 108 -15.872 12.502 -3.021 1.00 73.10 O ATOM 1739 CB THR A 108 -17.843 9.974 -2.781 1.00 21.22 C ATOM 1740 OG1 THR A 108 -18.022 8.550 -2.840 1.00 62.30 O ATOM 1741 CG2 THR A 108 -19.185 10.661 -3.017 1.00 40.32 C ATOM 0 H THR A 108 -15.062 10.083 -2.644 1.00 73.13 H new ATOM 0 HA THR A 108 -17.090 10.095 -4.802 1.00 41.40 H new ATOM 0 HB THR A 108 -17.483 10.267 -1.795 1.00 21.22 H new ATOM 0 HG1 THR A 108 -18.698 8.278 -2.185 1.00 62.30 H new ATOM 0 HG21 THR A 108 -19.904 10.321 -2.272 1.00 40.32 H new ATOM 0 HG22 THR A 108 -19.061 11.741 -2.934 1.00 40.32 H new ATOM 0 HG23 THR A 108 -19.550 10.413 -4.014 1.00 40.32 H new ATOM 1749 N ALA A 109 -17.429 12.619 -4.635 1.00 55.52 N ATOM 1750 CA ALA A 109 -17.305 14.068 -4.805 1.00 3.21 C ATOM 1751 C ALA A 109 -17.908 14.850 -3.627 1.00 35.33 C ATOM 1752 O ALA A 109 -19.098 14.722 -3.330 1.00 44.10 O ATOM 1753 CB ALA A 109 -17.960 14.492 -6.115 1.00 54.41 C ATOM 0 H ALA A 109 -18.154 12.188 -5.209 1.00 55.52 H new ATOM 0 HA ALA A 109 -16.242 14.306 -4.832 1.00 3.21 H new ATOM 0 HB1 ALA A 109 -17.865 15.571 -6.237 1.00 54.41 H new ATOM 0 HB2 ALA A 109 -17.468 13.988 -6.947 1.00 54.41 H new ATOM 0 HB3 ALA A 109 -19.015 14.220 -6.099 1.00 54.41 H new