USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 632 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 25 GLN : amide:sc= -0.462 K(o=-5,f=-4) USER MOD Set 1.2: A 77 GLN : amide:sc= -4.53! C(o=-5!,f=-10!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 34:sc= -2.42! USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 175:sc= -1.41! USER MOD Single : A 37 GLN : amide:sc= -0.168 K(o=-0.17,f=-4.4!) USER MOD Single : A 46 ASN : amide:sc= -3.32! C(o=-3.3!,f=-13!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.0718 (180deg=-0.534) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.647 X(o=-0.65,f=-0.71) USER MOD Single : A 76 MET CE :methyl 154:sc= -6.18! (180deg=-6.66!) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 81 ASN : amide:sc= -0.868 K(o=-0.87,f=-1.9!) USER MOD Single : A 91 TYR OH : rot 69:sc= -0.507 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0.36) USER MOD ----------------------------------------------------------------- ATOM 212 N VAL A 18 -8.006 2.260 -7.040 1.00 0.00 N ATOM 213 CA VAL A 18 -7.720 1.627 -5.763 1.00 0.00 C ATOM 214 C VAL A 18 -8.499 0.313 -5.665 1.00 0.00 C ATOM 215 O VAL A 18 -9.669 0.252 -6.037 1.00 0.00 O ATOM 216 CB VAL A 18 -8.031 2.593 -4.619 1.00 0.00 C ATOM 217 CG1 VAL A 18 -8.070 1.860 -3.277 1.00 0.00 C ATOM 218 CG2 VAL A 18 -7.025 3.745 -4.585 1.00 0.00 C ATOM 0 HA VAL A 18 -6.660 1.384 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.019 3.016 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.293 2.570 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.842 1.091 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.102 1.395 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.269 4.417 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.020 3.347 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.068 4.293 -5.526 1.00 0.00 H new ATOM 228 N SER A 19 -7.817 -0.705 -5.162 1.00 0.00 N ATOM 229 CA SER A 19 -8.430 -2.014 -5.010 1.00 0.00 C ATOM 230 C SER A 19 -9.076 -2.132 -3.628 1.00 0.00 C ATOM 231 O SER A 19 -8.639 -1.485 -2.677 1.00 0.00 O ATOM 232 CB SER A 19 -7.403 -3.130 -5.213 1.00 0.00 C ATOM 233 OG SER A 19 -7.751 -3.984 -6.299 1.00 0.00 O ATOM 0 H SER A 19 -6.846 -0.650 -4.854 1.00 0.00 H new ATOM 0 HA SER A 19 -9.200 -2.122 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.422 -2.691 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.323 -3.719 -4.300 1.00 0.00 H new ATOM 0 HG SER A 19 -7.070 -4.682 -6.397 1.00 0.00 H new ATOM 239 N PRO A 20 -10.133 -2.984 -3.559 1.00 0.00 N ATOM 240 CA PRO A 20 -10.843 -3.195 -2.309 1.00 0.00 C ATOM 241 C PRO A 20 -10.029 -4.073 -1.356 1.00 0.00 C ATOM 242 O PRO A 20 -10.312 -4.128 -0.161 1.00 0.00 O ATOM 243 CB PRO A 20 -12.167 -3.825 -2.710 1.00 0.00 C ATOM 244 CG PRO A 20 -11.962 -4.368 -4.115 1.00 0.00 C ATOM 245 CD PRO A 20 -10.678 -3.767 -4.664 1.00 0.00 C ATOM 0 HA PRO A 20 -11.007 -2.269 -1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.445 -4.622 -2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.972 -3.090 -2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.898 -5.456 -4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.808 -4.109 -4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.981 -4.543 -4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.874 -3.141 -5.534 1.00 0.00 H new ATOM 253 N ASP A 21 -9.033 -4.739 -1.922 1.00 0.00 N ATOM 254 CA ASP A 21 -8.175 -5.611 -1.139 1.00 0.00 C ATOM 255 C ASP A 21 -6.868 -4.882 -0.819 1.00 0.00 C ATOM 256 O ASP A 21 -5.917 -5.490 -0.330 1.00 0.00 O ATOM 257 CB ASP A 21 -7.828 -6.884 -1.914 1.00 0.00 C ATOM 258 CG ASP A 21 -8.989 -7.502 -2.695 1.00 0.00 C ATOM 259 OD1 ASP A 21 -10.069 -7.651 -2.083 1.00 0.00 O ATOM 260 OD2 ASP A 21 -8.772 -7.812 -3.886 1.00 0.00 O ATOM 0 H ASP A 21 -8.801 -4.692 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.709 -5.878 -0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.020 -6.659 -2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.446 -7.626 -1.213 1.00 0.00 H new ATOM 265 N ILE A 22 -6.864 -3.589 -1.108 1.00 0.00 N ATOM 266 CA ILE A 22 -5.690 -2.770 -0.857 1.00 0.00 C ATOM 267 C ILE A 22 -5.110 -3.125 0.514 1.00 0.00 C ATOM 268 O ILE A 22 -3.895 -3.088 0.706 1.00 0.00 O ATOM 269 CB ILE A 22 -6.027 -1.286 -1.017 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.837 -0.408 -0.625 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.290 -0.923 -0.232 1.00 0.00 C ATOM 272 CD1 ILE A 22 -3.879 -0.227 -1.804 1.00 0.00 C ATOM 0 H ILE A 22 -7.655 -3.088 -1.513 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.915 -2.978 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.235 -1.095 -2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.194 0.565 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.307 -0.860 0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.507 0.137 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.129 -1.514 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.134 -1.134 0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.042 0.401 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.506 -1.200 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.406 0.248 -2.632 1.00 0.00 H new ATOM 284 N TYR A 23 -6.005 -3.460 1.431 1.00 0.00 N ATOM 285 CA TYR A 23 -5.597 -3.821 2.778 1.00 0.00 C ATOM 286 C TYR A 23 -4.811 -5.133 2.780 1.00 0.00 C ATOM 287 O TYR A 23 -3.673 -5.179 3.245 1.00 0.00 O ATOM 288 CB TYR A 23 -6.890 -4.014 3.573 1.00 0.00 C ATOM 289 CG TYR A 23 -7.932 -2.918 3.342 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.785 -1.687 3.950 1.00 0.00 C ATOM 291 CD2 TYR A 23 -9.018 -3.159 2.526 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.766 -0.655 3.732 1.00 0.00 C ATOM 293 CE2 TYR A 23 -9.999 -2.127 2.309 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.825 -0.926 2.922 1.00 0.00 C ATOM 295 OH TYR A 23 -10.751 0.048 2.717 1.00 0.00 O ATOM 0 H TYR A 23 -7.011 -3.489 1.268 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.955 -3.050 3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.326 -4.977 3.309 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.649 -4.054 4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.935 -1.498 4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.133 -4.122 2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.663 0.312 4.201 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.854 -2.303 1.673 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.310 0.923 2.717 1.00 0.00 H new ATOM 305 N GLN A 24 -5.449 -6.169 2.255 1.00 0.00 N ATOM 306 CA GLN A 24 -4.823 -7.479 2.190 1.00 0.00 C ATOM 307 C GLN A 24 -3.588 -7.433 1.288 1.00 0.00 C ATOM 308 O GLN A 24 -2.681 -8.253 1.429 1.00 0.00 O ATOM 309 CB GLN A 24 -5.816 -8.537 1.706 1.00 0.00 C ATOM 310 CG GLN A 24 -5.276 -9.948 1.949 1.00 0.00 C ATOM 311 CD GLN A 24 -5.811 -10.521 3.263 1.00 0.00 C ATOM 312 OE1 GLN A 24 -5.259 -10.313 4.331 1.00 0.00 O ATOM 313 NE2 GLN A 24 -6.914 -11.251 3.126 1.00 0.00 N ATOM 0 H GLN A 24 -6.393 -6.128 1.871 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.505 -7.759 3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.766 -8.413 2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.013 -8.397 0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.561 -10.598 1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.187 -9.925 1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.325 -11.386 2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.349 -11.676 3.945 1.00 0.00 H new ATOM 322 N GLN A 25 -3.591 -6.466 0.382 1.00 0.00 N ATOM 323 CA GLN A 25 -2.482 -6.303 -0.542 1.00 0.00 C ATOM 324 C GLN A 25 -1.247 -5.784 0.198 1.00 0.00 C ATOM 325 O GLN A 25 -0.134 -6.248 -0.045 1.00 0.00 O ATOM 326 CB GLN A 25 -2.862 -5.372 -1.695 1.00 0.00 C ATOM 327 CG GLN A 25 -3.807 -6.070 -2.675 1.00 0.00 C ATOM 328 CD GLN A 25 -3.556 -5.600 -4.109 1.00 0.00 C ATOM 329 OE1 GLN A 25 -2.756 -6.159 -4.841 1.00 0.00 O ATOM 330 NE2 GLN A 25 -4.280 -4.544 -4.467 1.00 0.00 N ATOM 0 H GLN A 25 -4.344 -5.788 0.268 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.243 -7.277 -0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.339 -4.475 -1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.962 -5.050 -2.219 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.668 -7.149 -2.613 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.841 -5.865 -2.397 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.932 -4.124 -3.804 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.184 -4.154 -5.404 1.00 0.00 H new ATOM 339 N VAL A 26 -1.485 -4.830 1.085 1.00 0.00 N ATOM 340 CA VAL A 26 -0.406 -4.243 1.861 1.00 0.00 C ATOM 341 C VAL A 26 0.259 -5.332 2.705 1.00 0.00 C ATOM 342 O VAL A 26 1.469 -5.538 2.618 1.00 0.00 O ATOM 343 CB VAL A 26 -0.938 -3.079 2.699 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.123 -2.584 3.685 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.430 -1.939 1.805 1.00 0.00 C ATOM 0 H VAL A 26 -2.410 -4.448 1.284 1.00 0.00 H new ATOM 0 HA VAL A 26 0.358 -3.830 1.202 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.788 -3.443 3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.280 -1.756 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.405 -3.397 4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.001 -2.246 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.803 -1.125 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.606 -1.578 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.232 -2.301 1.162 1.00 0.00 H new ATOM 355 N ARG A 27 -0.560 -6.002 3.503 1.00 0.00 N ATOM 356 CA ARG A 27 -0.066 -7.065 4.362 1.00 0.00 C ATOM 357 C ARG A 27 0.852 -8.001 3.573 1.00 0.00 C ATOM 358 O ARG A 27 1.957 -8.311 4.016 1.00 0.00 O ATOM 359 CB ARG A 27 -1.220 -7.874 4.956 1.00 0.00 C ATOM 360 CG ARG A 27 -2.101 -6.999 5.849 1.00 0.00 C ATOM 361 CD ARG A 27 -3.468 -7.648 6.075 1.00 0.00 C ATOM 362 NE ARG A 27 -4.025 -7.215 7.376 1.00 0.00 N ATOM 363 CZ ARG A 27 -5.249 -7.540 7.815 1.00 0.00 C ATOM 364 NH1 ARG A 27 -6.050 -8.303 7.060 1.00 0.00 N ATOM 365 NH2 ARG A 27 -5.671 -7.101 9.009 1.00 0.00 N ATOM 0 H ARG A 27 -1.563 -5.829 3.573 1.00 0.00 H new ATOM 0 HA ARG A 27 0.494 -6.602 5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.821 -8.301 4.153 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.824 -8.708 5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.608 -6.839 6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.231 -6.019 5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.148 -7.373 5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.372 -8.734 6.054 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.441 -6.633 7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.728 -8.637 6.151 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.982 -8.551 7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.061 -6.520 9.583 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.602 -7.348 9.343 1.00 0.00 H new ATOM 379 N ASP A 28 0.361 -8.425 2.418 1.00 0.00 N ATOM 380 CA ASP A 28 1.123 -9.319 1.563 1.00 0.00 C ATOM 381 C ASP A 28 2.423 -8.631 1.143 1.00 0.00 C ATOM 382 O ASP A 28 3.493 -9.237 1.188 1.00 0.00 O ATOM 383 CB ASP A 28 0.342 -9.669 0.295 1.00 0.00 C ATOM 384 CG ASP A 28 0.669 -11.035 -0.311 1.00 0.00 C ATOM 385 OD1 ASP A 28 1.561 -11.706 0.253 1.00 0.00 O ATOM 386 OD2 ASP A 28 0.021 -11.377 -1.323 1.00 0.00 O ATOM 0 H ASP A 28 -0.556 -8.166 2.054 1.00 0.00 H new ATOM 0 HA ASP A 28 1.325 -10.231 2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.724 -9.635 0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.533 -8.901 -0.455 1.00 0.00 H new ATOM 391 N GLU A 29 2.288 -7.375 0.744 1.00 0.00 N ATOM 392 CA GLU A 29 3.439 -6.598 0.316 1.00 0.00 C ATOM 393 C GLU A 29 4.523 -6.616 1.395 1.00 0.00 C ATOM 394 O GLU A 29 5.694 -6.854 1.100 1.00 0.00 O ATOM 395 CB GLU A 29 3.034 -5.163 -0.029 1.00 0.00 C ATOM 396 CG GLU A 29 4.239 -4.355 -0.514 1.00 0.00 C ATOM 397 CD GLU A 29 5.153 -5.209 -1.396 1.00 0.00 C ATOM 398 OE1 GLU A 29 4.619 -5.812 -2.351 1.00 0.00 O ATOM 399 OE2 GLU A 29 6.366 -5.239 -1.094 1.00 0.00 O ATOM 0 H GLU A 29 1.399 -6.876 0.708 1.00 0.00 H new ATOM 0 HA GLU A 29 3.845 -7.054 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.265 -5.174 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.599 -4.683 0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.896 -3.485 -1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.800 -3.982 0.343 1.00 0.00 H new ATOM 406 N LEU A 30 4.096 -6.363 2.623 1.00 0.00 N ATOM 407 CA LEU A 30 5.015 -6.348 3.748 1.00 0.00 C ATOM 408 C LEU A 30 5.606 -7.747 3.937 1.00 0.00 C ATOM 409 O LEU A 30 6.802 -7.891 4.185 1.00 0.00 O ATOM 410 CB LEU A 30 4.325 -5.798 4.998 1.00 0.00 C ATOM 411 CG LEU A 30 3.541 -4.497 4.813 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.462 -4.350 5.888 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.481 -3.290 4.775 1.00 0.00 C ATOM 0 H LEU A 30 3.125 -6.166 2.864 1.00 0.00 H new ATOM 0 HA LEU A 30 5.848 -5.673 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.643 -6.559 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.082 -5.637 5.766 1.00 0.00 H new ATOM 0 HG LEU A 30 3.033 -4.539 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.919 -3.417 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.768 -5.188 5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.929 -4.340 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.898 -2.379 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.037 -3.232 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.179 -3.398 3.944 1.00 0.00 H new ATOM 425 N LYS A 31 4.740 -8.742 3.813 1.00 0.00 N ATOM 426 CA LYS A 31 5.160 -10.124 3.968 1.00 0.00 C ATOM 427 C LYS A 31 6.040 -10.520 2.780 1.00 0.00 C ATOM 428 O LYS A 31 6.668 -11.578 2.794 1.00 0.00 O ATOM 429 CB LYS A 31 3.947 -11.035 4.164 1.00 0.00 C ATOM 430 CG LYS A 31 4.375 -12.423 4.645 1.00 0.00 C ATOM 431 CD LYS A 31 3.852 -13.513 3.708 1.00 0.00 C ATOM 432 CE LYS A 31 2.541 -14.103 4.232 1.00 0.00 C ATOM 433 NZ LYS A 31 2.483 -15.557 3.961 1.00 0.00 N ATOM 0 H LYS A 31 3.749 -8.618 3.607 1.00 0.00 H new ATOM 0 HA LYS A 31 5.765 -10.240 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.266 -10.589 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.399 -11.124 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.463 -12.474 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.999 -12.594 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.696 -13.098 2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.597 -14.302 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.457 -13.923 5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.696 -13.605 3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.587 -15.942 4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.542 -15.722 2.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.279 -16.030 4.434 1.00 0.00 H new ATOM 447 N ARG A 32 6.058 -9.650 1.781 1.00 0.00 N ATOM 448 CA ARG A 32 6.851 -9.896 0.589 1.00 0.00 C ATOM 449 C ARG A 32 8.233 -9.255 0.728 1.00 0.00 C ATOM 450 O ARG A 32 9.251 -9.916 0.526 1.00 0.00 O ATOM 451 CB ARG A 32 6.160 -9.336 -0.657 1.00 0.00 C ATOM 452 CG ARG A 32 6.228 -10.333 -1.816 1.00 0.00 C ATOM 453 CD ARG A 32 4.885 -11.041 -2.008 1.00 0.00 C ATOM 454 NE ARG A 32 4.960 -12.421 -1.479 1.00 0.00 N ATOM 455 CZ ARG A 32 5.551 -13.440 -2.119 1.00 0.00 C ATOM 456 NH1 ARG A 32 6.120 -13.240 -3.315 1.00 0.00 N ATOM 457 NH2 ARG A 32 5.571 -14.659 -1.562 1.00 0.00 N ATOM 0 H ARG A 32 5.536 -8.774 1.773 1.00 0.00 H new ATOM 0 HA ARG A 32 6.957 -10.975 0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.119 -9.109 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.634 -8.399 -0.950 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.503 -9.812 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.007 -11.070 -1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.097 -10.489 -1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.624 -11.062 -3.066 1.00 0.00 H new ATOM 0 HE ARG A 32 4.536 -12.609 -0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.104 -12.312 -3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.570 -14.015 -3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.137 -14.811 -0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.020 -15.435 -2.048 1.00 0.00 H new ATOM 471 N ALA A 33 8.225 -7.976 1.074 1.00 0.00 N ATOM 472 CA ALA A 33 9.465 -7.238 1.243 1.00 0.00 C ATOM 473 C ALA A 33 9.939 -7.371 2.692 1.00 0.00 C ATOM 474 O ALA A 33 11.004 -6.871 3.049 1.00 0.00 O ATOM 475 CB ALA A 33 9.253 -5.781 0.830 1.00 0.00 C ATOM 0 H ALA A 33 7.379 -7.432 1.242 1.00 0.00 H new ATOM 0 HA ALA A 33 10.246 -7.647 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.184 -5.228 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.946 -5.740 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.478 -5.335 1.453 1.00 0.00 H new ATOM 481 N SER A 34 9.124 -8.048 3.487 1.00 0.00 N ATOM 482 CA SER A 34 9.446 -8.253 4.889 1.00 0.00 C ATOM 483 C SER A 34 9.835 -6.922 5.537 1.00 0.00 C ATOM 484 O SER A 34 10.825 -6.847 6.262 1.00 0.00 O ATOM 485 CB SER A 34 10.576 -9.272 5.051 1.00 0.00 C ATOM 486 OG SER A 34 10.549 -9.900 6.330 1.00 0.00 O ATOM 0 H SER A 34 8.241 -8.462 3.187 1.00 0.00 H new ATOM 0 HA SER A 34 8.562 -8.648 5.389 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.494 -10.031 4.273 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.536 -8.774 4.912 1.00 0.00 H new ATOM 0 HG SER A 34 11.285 -10.544 6.394 1.00 0.00 H new ATOM 492 N VAL A 35 9.034 -5.906 5.252 1.00 0.00 N ATOM 493 CA VAL A 35 9.281 -4.582 5.797 1.00 0.00 C ATOM 494 C VAL A 35 8.297 -4.313 6.937 1.00 0.00 C ATOM 495 O VAL A 35 7.445 -5.148 7.236 1.00 0.00 O ATOM 496 CB VAL A 35 9.208 -3.535 4.684 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.201 -4.200 3.306 1.00 0.00 C ATOM 498 CG2 VAL A 35 7.987 -2.630 4.862 1.00 0.00 C ATOM 0 H VAL A 35 8.213 -5.973 4.650 1.00 0.00 H new ATOM 0 HA VAL A 35 10.286 -4.522 6.214 1.00 0.00 H new ATOM 0 HB VAL A 35 10.100 -2.912 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.149 -3.434 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.113 -4.783 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.336 -4.858 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.959 -1.895 4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.080 -3.233 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.052 -2.116 5.821 1.00 0.00 H new ATOM 508 N SER A 36 8.447 -3.144 7.542 1.00 0.00 N ATOM 509 CA SER A 36 7.582 -2.754 8.643 1.00 0.00 C ATOM 510 C SER A 36 6.467 -1.839 8.133 1.00 0.00 C ATOM 511 O SER A 36 6.614 -1.193 7.096 1.00 0.00 O ATOM 512 CB SER A 36 8.378 -2.057 9.748 1.00 0.00 C ATOM 513 OG SER A 36 8.889 -0.796 9.324 1.00 0.00 O ATOM 0 H SER A 36 9.155 -2.454 7.291 1.00 0.00 H new ATOM 0 HA SER A 36 7.138 -3.655 9.066 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.740 -1.915 10.620 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.204 -2.697 10.059 1.00 0.00 H new ATOM 0 HG SER A 36 9.321 -0.347 10.081 1.00 0.00 H new ATOM 519 N GLN A 37 5.377 -1.813 8.885 1.00 0.00 N ATOM 520 CA GLN A 37 4.237 -0.987 8.523 1.00 0.00 C ATOM 521 C GLN A 37 4.677 0.464 8.317 1.00 0.00 C ATOM 522 O GLN A 37 4.154 1.157 7.446 1.00 0.00 O ATOM 523 CB GLN A 37 3.134 -1.082 9.578 1.00 0.00 C ATOM 524 CG GLN A 37 2.205 -2.265 9.297 1.00 0.00 C ATOM 525 CD GLN A 37 0.848 -2.070 9.976 1.00 0.00 C ATOM 526 OE1 GLN A 37 0.509 -0.997 10.447 1.00 0.00 O ATOM 527 NE2 GLN A 37 0.093 -3.165 10.000 1.00 0.00 N ATOM 0 H GLN A 37 5.259 -2.351 9.744 1.00 0.00 H new ATOM 0 HA GLN A 37 3.828 -1.358 7.584 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.580 -1.192 10.566 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.557 -0.157 9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.065 -2.375 8.222 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.665 -3.186 9.654 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.438 -4.031 9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.831 -3.138 10.431 1.00 0.00 H new ATOM 536 N ALA A 38 5.633 0.880 9.133 1.00 0.00 N ATOM 537 CA ALA A 38 6.149 2.236 9.052 1.00 0.00 C ATOM 538 C ALA A 38 6.953 2.395 7.760 1.00 0.00 C ATOM 539 O ALA A 38 6.620 3.226 6.916 1.00 0.00 O ATOM 540 CB ALA A 38 6.983 2.541 10.298 1.00 0.00 C ATOM 0 H ALA A 38 6.064 0.302 9.854 1.00 0.00 H new ATOM 0 HA ALA A 38 5.331 2.956 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.370 3.558 10.237 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.359 2.443 11.186 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.815 1.840 10.360 1.00 0.00 H new ATOM 546 N VAL A 39 7.995 1.585 7.645 1.00 0.00 N ATOM 547 CA VAL A 39 8.848 1.625 6.470 1.00 0.00 C ATOM 548 C VAL A 39 7.978 1.731 5.216 1.00 0.00 C ATOM 549 O VAL A 39 8.188 2.612 4.384 1.00 0.00 O ATOM 550 CB VAL A 39 9.774 0.406 6.454 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.438 0.240 5.086 1.00 0.00 C ATOM 552 CG2 VAL A 39 10.822 0.499 7.565 1.00 0.00 C ATOM 0 H VAL A 39 8.268 0.897 8.347 1.00 0.00 H new ATOM 0 HA VAL A 39 9.491 2.505 6.495 1.00 0.00 H new ATOM 0 HB VAL A 39 9.166 -0.479 6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.090 -0.633 5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.671 0.106 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.026 1.129 4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.467 -0.379 7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.424 1.397 7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.323 0.546 8.533 1.00 0.00 H new ATOM 562 N PHE A 40 7.020 0.821 5.121 1.00 0.00 N ATOM 563 CA PHE A 40 6.117 0.801 3.983 1.00 0.00 C ATOM 564 C PHE A 40 5.271 2.075 3.933 1.00 0.00 C ATOM 565 O PHE A 40 5.392 2.869 3.001 1.00 0.00 O ATOM 566 CB PHE A 40 5.193 -0.404 4.166 1.00 0.00 C ATOM 567 CG PHE A 40 4.082 -0.502 3.118 1.00 0.00 C ATOM 568 CD1 PHE A 40 2.923 0.188 3.289 1.00 0.00 C ATOM 569 CD2 PHE A 40 4.255 -1.279 2.015 1.00 0.00 C ATOM 570 CE1 PHE A 40 1.892 0.097 2.317 1.00 0.00 C ATOM 571 CE2 PHE A 40 3.224 -1.370 1.042 1.00 0.00 C ATOM 572 CZ PHE A 40 2.065 -0.679 1.214 1.00 0.00 C ATOM 0 H PHE A 40 6.849 0.092 5.814 1.00 0.00 H new ATOM 0 HA PHE A 40 6.687 0.739 3.056 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.790 -1.315 4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.741 -0.355 5.156 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.787 0.806 4.164 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.176 -1.827 1.879 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.971 0.644 2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.360 -1.987 0.166 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.282 -0.747 0.474 1.00 0.00 H new ATOM 582 N ALA A 41 4.431 2.230 4.946 1.00 0.00 N ATOM 583 CA ALA A 41 3.565 3.393 5.029 1.00 0.00 C ATOM 584 C ALA A 41 4.351 4.639 4.616 1.00 0.00 C ATOM 585 O ALA A 41 3.784 5.579 4.061 1.00 0.00 O ATOM 586 CB ALA A 41 2.995 3.506 6.444 1.00 0.00 C ATOM 0 H ALA A 41 4.332 1.569 5.716 1.00 0.00 H new ATOM 0 HA ALA A 41 2.722 3.293 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.345 4.379 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.421 2.609 6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.812 3.610 7.158 1.00 0.00 H new ATOM 592 N ARG A 42 5.644 4.606 4.902 1.00 0.00 N ATOM 593 CA ARG A 42 6.513 5.721 4.566 1.00 0.00 C ATOM 594 C ARG A 42 6.771 5.759 3.059 1.00 0.00 C ATOM 595 O ARG A 42 6.626 6.804 2.427 1.00 0.00 O ATOM 596 CB ARG A 42 7.850 5.618 5.303 1.00 0.00 C ATOM 597 CG ARG A 42 8.742 6.822 4.992 1.00 0.00 C ATOM 598 CD ARG A 42 8.086 8.124 5.455 1.00 0.00 C ATOM 599 NE ARG A 42 8.932 8.783 6.474 1.00 0.00 N ATOM 600 CZ ARG A 42 8.865 10.087 6.778 1.00 0.00 C ATOM 601 NH1 ARG A 42 7.991 10.879 6.142 1.00 0.00 N ATOM 602 NH2 ARG A 42 9.672 10.598 7.717 1.00 0.00 N ATOM 0 H ARG A 42 6.111 3.825 5.363 1.00 0.00 H new ATOM 0 HA ARG A 42 6.010 6.638 4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.674 5.559 6.377 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.359 4.699 5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.707 6.701 5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.935 6.869 3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.941 8.790 4.605 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.099 7.916 5.869 1.00 0.00 H new ATOM 0 HE ARG A 42 9.609 8.209 6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.377 10.490 5.427 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.940 11.871 6.373 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.337 9.995 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.621 11.590 7.948 1.00 0.00 H new ATOM 616 N VAL A 43 7.149 4.606 2.527 1.00 0.00 N ATOM 617 CA VAL A 43 7.429 4.494 1.105 1.00 0.00 C ATOM 618 C VAL A 43 6.129 4.191 0.356 1.00 0.00 C ATOM 619 O VAL A 43 6.149 3.910 -0.841 1.00 0.00 O ATOM 620 CB VAL A 43 8.515 3.443 0.866 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.750 3.726 1.724 1.00 0.00 C ATOM 622 CG2 VAL A 43 7.979 2.033 1.125 1.00 0.00 C ATOM 0 H VAL A 43 7.268 3.741 3.055 1.00 0.00 H new ATOM 0 HA VAL A 43 7.816 5.436 0.717 1.00 0.00 H new ATOM 0 HB VAL A 43 8.814 3.501 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.507 2.964 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.152 4.707 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.473 3.708 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.770 1.305 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.640 1.957 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.144 1.832 0.453 1.00 0.00 H new ATOM 632 N ALA A 44 5.030 4.259 1.093 1.00 0.00 N ATOM 633 CA ALA A 44 3.723 3.996 0.514 1.00 0.00 C ATOM 634 C ALA A 44 3.004 5.323 0.264 1.00 0.00 C ATOM 635 O ALA A 44 2.615 5.619 -0.865 1.00 0.00 O ATOM 636 CB ALA A 44 2.932 3.069 1.439 1.00 0.00 C ATOM 0 H ALA A 44 5.018 4.492 2.086 1.00 0.00 H new ATOM 0 HA ALA A 44 3.823 3.490 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.952 2.872 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.471 2.129 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.809 3.545 2.412 1.00 0.00 H new ATOM 642 N PHE A 45 2.849 6.086 1.336 1.00 0.00 N ATOM 643 CA PHE A 45 2.184 7.375 1.247 1.00 0.00 C ATOM 644 C PHE A 45 2.790 8.374 2.234 1.00 0.00 C ATOM 645 O PHE A 45 2.156 9.368 2.585 1.00 0.00 O ATOM 646 CB PHE A 45 0.715 7.146 1.608 1.00 0.00 C ATOM 647 CG PHE A 45 0.495 6.050 2.653 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.705 4.747 2.327 1.00 0.00 C ATOM 649 CD2 PHE A 45 0.090 6.379 3.909 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.501 3.730 3.297 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.114 5.363 4.879 1.00 0.00 C ATOM 652 CZ PHE A 45 0.096 4.059 4.552 1.00 0.00 C ATOM 0 H PHE A 45 3.172 5.836 2.271 1.00 0.00 H new ATOM 0 HA PHE A 45 2.297 7.784 0.243 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.293 8.079 1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.165 6.887 0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.027 4.485 1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.077 7.414 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.668 2.695 3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.436 5.625 5.876 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.059 3.286 5.290 1.00 0.00 H new ATOM 662 N ASN A 46 4.011 8.077 2.654 1.00 0.00 N ATOM 663 CA ASN A 46 4.710 8.937 3.593 1.00 0.00 C ATOM 664 C ASN A 46 3.881 9.067 4.872 1.00 0.00 C ATOM 665 O ASN A 46 3.405 10.153 5.200 1.00 0.00 O ATOM 666 CB ASN A 46 4.909 10.339 3.014 1.00 0.00 C ATOM 667 CG ASN A 46 5.510 11.283 4.057 1.00 0.00 C ATOM 668 OD1 ASN A 46 5.673 10.944 5.218 1.00 0.00 O ATOM 669 ND2 ASN A 46 5.830 12.482 3.580 1.00 0.00 N ATOM 0 H ASN A 46 4.534 7.252 2.361 1.00 0.00 H new ATOM 0 HA ASN A 46 5.683 8.491 3.799 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.564 10.288 2.145 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.953 10.733 2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.239 13.184 4.197 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.667 12.700 2.597 1.00 0.00 H new ATOM 676 N ARG A 47 3.733 7.945 5.561 1.00 0.00 N ATOM 677 CA ARG A 47 2.970 7.920 6.797 1.00 0.00 C ATOM 678 C ARG A 47 3.701 7.092 7.856 1.00 0.00 C ATOM 679 O ARG A 47 4.836 6.668 7.643 1.00 0.00 O ATOM 680 CB ARG A 47 1.576 7.331 6.572 1.00 0.00 C ATOM 681 CG ARG A 47 0.529 8.437 6.430 1.00 0.00 C ATOM 682 CD ARG A 47 0.322 9.169 7.758 1.00 0.00 C ATOM 683 NE ARG A 47 -0.542 10.353 7.554 1.00 0.00 N ATOM 684 CZ ARG A 47 -0.113 11.518 7.051 1.00 0.00 C ATOM 685 NH1 ARG A 47 1.171 11.663 6.698 1.00 0.00 N ATOM 686 NH2 ARG A 47 -0.968 12.539 6.901 1.00 0.00 N ATOM 0 H ARG A 47 4.129 7.046 5.286 1.00 0.00 H new ATOM 0 HA ARG A 47 2.866 8.948 7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.580 6.712 5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.313 6.681 7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.845 9.146 5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.416 8.008 6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.133 8.497 8.486 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.284 9.477 8.167 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.526 10.277 7.813 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.822 10.886 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.498 12.550 6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.946 12.429 7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.641 13.426 6.518 1.00 0.00 H new ATOM 700 N THR A 48 3.021 6.888 8.975 1.00 0.00 N ATOM 701 CA THR A 48 3.592 6.118 10.067 1.00 0.00 C ATOM 702 C THR A 48 2.993 4.711 10.098 1.00 0.00 C ATOM 703 O THR A 48 2.729 4.122 9.051 1.00 0.00 O ATOM 704 CB THR A 48 3.371 6.902 11.363 1.00 0.00 C ATOM 705 OG1 THR A 48 2.003 6.664 11.683 1.00 0.00 O ATOM 706 CG2 THR A 48 3.447 8.415 11.153 1.00 0.00 C ATOM 0 H THR A 48 2.080 7.242 9.149 1.00 0.00 H new ATOM 0 HA THR A 48 4.665 5.977 9.934 1.00 0.00 H new ATOM 0 HB THR A 48 4.115 6.601 12.101 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.774 7.134 12.512 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.283 8.923 12.103 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.431 8.680 10.765 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.681 8.722 10.441 1.00 0.00 H new ATOM 714 N GLN A 49 2.797 4.212 11.310 1.00 0.00 N ATOM 715 CA GLN A 49 2.234 2.885 11.491 1.00 0.00 C ATOM 716 C GLN A 49 0.855 2.978 12.146 1.00 0.00 C ATOM 717 O GLN A 49 -0.116 2.417 11.639 1.00 0.00 O ATOM 718 CB GLN A 49 3.173 2.000 12.314 1.00 0.00 C ATOM 719 CG GLN A 49 2.554 0.621 12.555 1.00 0.00 C ATOM 720 CD GLN A 49 3.411 -0.204 13.517 1.00 0.00 C ATOM 721 OE1 GLN A 49 4.087 0.317 14.390 1.00 0.00 O ATOM 722 NE2 GLN A 49 3.347 -1.516 13.310 1.00 0.00 N ATOM 0 H GLN A 49 3.018 4.703 12.176 1.00 0.00 H new ATOM 0 HA GLN A 49 2.118 2.424 10.510 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.124 1.890 11.793 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.386 2.479 13.270 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.550 0.735 12.964 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.454 0.093 11.607 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.761 -1.886 12.562 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.884 -2.152 13.900 1.00 0.00 H new ATOM 731 N GLY A 50 0.811 3.691 13.262 1.00 0.00 N ATOM 732 CA GLY A 50 -0.434 3.864 13.991 1.00 0.00 C ATOM 733 C GLY A 50 -1.585 4.195 13.039 1.00 0.00 C ATOM 734 O GLY A 50 -2.727 3.808 13.282 1.00 0.00 O ATOM 0 H GLY A 50 1.618 4.156 13.679 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.665 2.954 14.544 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.322 4.663 14.724 1.00 0.00 H new ATOM 738 N LEU A 51 -1.245 4.908 11.975 1.00 0.00 N ATOM 739 CA LEU A 51 -2.235 5.295 10.985 1.00 0.00 C ATOM 740 C LEU A 51 -2.507 4.114 10.052 1.00 0.00 C ATOM 741 O LEU A 51 -3.642 3.651 9.945 1.00 0.00 O ATOM 742 CB LEU A 51 -1.796 6.567 10.256 1.00 0.00 C ATOM 743 CG LEU A 51 -2.580 6.919 8.990 1.00 0.00 C ATOM 744 CD1 LEU A 51 -1.944 6.279 7.755 1.00 0.00 C ATOM 745 CD2 LEU A 51 -4.055 6.541 9.136 1.00 0.00 C ATOM 0 H LEU A 51 -0.297 5.228 11.777 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.180 5.543 11.469 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.871 7.404 10.950 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.744 6.465 9.991 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.536 7.999 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.521 6.545 6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.921 6.640 7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.936 5.195 7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.590 6.802 8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.140 5.469 9.313 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.488 7.083 9.977 1.00 0.00 H new ATOM 757 N LEU A 52 -1.446 3.659 9.401 1.00 0.00 N ATOM 758 CA LEU A 52 -1.556 2.540 8.481 1.00 0.00 C ATOM 759 C LEU A 52 -2.315 1.399 9.161 1.00 0.00 C ATOM 760 O LEU A 52 -3.227 0.818 8.573 1.00 0.00 O ATOM 761 CB LEU A 52 -0.175 2.136 7.961 1.00 0.00 C ATOM 762 CG LEU A 52 -0.090 0.772 7.274 1.00 0.00 C ATOM 763 CD1 LEU A 52 -0.870 0.771 5.958 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.367 0.348 7.076 1.00 0.00 C ATOM 0 H LEU A 52 -0.506 4.045 9.493 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.131 2.826 7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.163 2.897 7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.523 2.143 8.798 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.556 0.032 7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.793 -0.210 5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.918 0.998 6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.456 1.525 5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.399 -0.625 6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.879 1.084 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.862 0.283 8.045 1.00 0.00 H new ATOM 776 N SER A 53 -1.911 1.111 10.389 1.00 0.00 N ATOM 777 CA SER A 53 -2.542 0.050 11.155 1.00 0.00 C ATOM 778 C SER A 53 -4.062 0.218 11.129 1.00 0.00 C ATOM 779 O SER A 53 -4.787 -0.713 10.781 1.00 0.00 O ATOM 780 CB SER A 53 -2.034 0.035 12.598 1.00 0.00 C ATOM 781 OG SER A 53 -2.195 -1.242 13.209 1.00 0.00 O ATOM 0 H SER A 53 -1.154 1.594 10.873 1.00 0.00 H new ATOM 0 HA SER A 53 -2.281 -0.904 10.697 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.980 0.314 12.614 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.571 0.785 13.179 1.00 0.00 H new ATOM 0 HG SER A 53 -1.857 -1.210 14.128 1.00 0.00 H new ATOM 787 N GLU A 54 -4.500 1.411 11.502 1.00 0.00 N ATOM 788 CA GLU A 54 -5.921 1.713 11.526 1.00 0.00 C ATOM 789 C GLU A 54 -6.528 1.519 10.135 1.00 0.00 C ATOM 790 O GLU A 54 -7.703 1.176 10.009 1.00 0.00 O ATOM 791 CB GLU A 54 -6.171 3.133 12.040 1.00 0.00 C ATOM 792 CG GLU A 54 -6.445 4.095 10.882 1.00 0.00 C ATOM 793 CD GLU A 54 -6.196 5.544 11.303 1.00 0.00 C ATOM 794 OE1 GLU A 54 -5.394 5.732 12.243 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.813 6.432 10.675 1.00 0.00 O ATOM 0 H GLU A 54 -3.896 2.180 11.790 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.408 1.022 12.214 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.019 3.132 12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.305 3.477 12.606 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.805 3.843 10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.476 3.982 10.547 1.00 0.00 H new ATOM 802 N ILE A 55 -5.701 1.745 9.126 1.00 0.00 N ATOM 803 CA ILE A 55 -6.141 1.599 7.749 1.00 0.00 C ATOM 804 C ILE A 55 -6.270 0.112 7.414 1.00 0.00 C ATOM 805 O ILE A 55 -6.956 -0.257 6.463 1.00 0.00 O ATOM 806 CB ILE A 55 -5.212 2.364 6.805 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.392 3.875 6.962 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.408 1.911 5.356 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.253 4.637 6.283 1.00 0.00 C ATOM 0 H ILE A 55 -4.727 2.029 9.234 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.128 2.043 7.616 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.183 2.133 7.079 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.345 4.178 6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.426 4.133 8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.736 2.471 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.189 0.846 5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.439 2.093 5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.406 5.709 6.410 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.303 4.350 6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.237 4.396 5.220 1.00 0.00 H new ATOM 821 N LEU A 56 -5.599 -0.702 8.216 1.00 0.00 N ATOM 822 CA LEU A 56 -5.629 -2.141 8.016 1.00 0.00 C ATOM 823 C LEU A 56 -6.556 -2.776 9.055 1.00 0.00 C ATOM 824 O LEU A 56 -6.958 -3.930 8.911 1.00 0.00 O ATOM 825 CB LEU A 56 -4.210 -2.714 8.027 1.00 0.00 C ATOM 826 CG LEU A 56 -3.238 -2.115 7.009 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.787 -2.356 7.429 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.523 -2.644 5.602 1.00 0.00 C ATOM 0 H LEU A 56 -5.032 -0.393 9.005 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.037 -2.381 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.791 -2.576 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.272 -3.788 7.853 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.391 -1.036 6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.117 -1.920 6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.607 -1.892 8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.602 -3.428 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.818 -2.203 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.415 -3.729 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.540 -2.378 5.312 1.00 0.00 H new ATOM 840 N ARG A 57 -6.868 -1.995 10.079 1.00 0.00 N ATOM 841 CA ARG A 57 -7.740 -2.466 11.141 1.00 0.00 C ATOM 842 C ARG A 57 -9.204 -2.201 10.783 1.00 0.00 C ATOM 843 O ARG A 57 -10.022 -3.120 10.778 1.00 0.00 O ATOM 844 CB ARG A 57 -7.414 -1.778 12.468 1.00 0.00 C ATOM 845 CG ARG A 57 -5.974 -2.068 12.896 1.00 0.00 C ATOM 846 CD ARG A 57 -5.941 -2.914 14.170 1.00 0.00 C ATOM 847 NE ARG A 57 -5.692 -4.332 13.830 1.00 0.00 N ATOM 848 CZ ARG A 57 -5.572 -5.312 14.736 1.00 0.00 C ATOM 849 NH1 ARG A 57 -5.677 -5.034 16.042 1.00 0.00 N ATOM 850 NH2 ARG A 57 -5.346 -6.571 14.335 1.00 0.00 N ATOM 0 H ARG A 57 -6.532 -1.039 10.195 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.578 -3.538 11.252 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.558 -0.702 12.369 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.103 -2.122 13.239 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.451 -2.590 12.095 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.445 -1.130 13.064 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.161 -2.549 14.838 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.887 -2.820 14.703 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.606 -4.579 12.844 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.848 -4.076 16.347 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.586 -5.780 16.731 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.265 -6.783 13.340 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.255 -7.317 15.024 1.00 0.00 H new ATOM 864 N LYS A 58 -9.490 -0.940 10.492 1.00 0.00 N ATOM 865 CA LYS A 58 -10.841 -0.542 10.134 1.00 0.00 C ATOM 866 C LYS A 58 -11.069 -0.810 8.645 1.00 0.00 C ATOM 867 O LYS A 58 -12.201 -1.023 8.215 1.00 0.00 O ATOM 868 CB LYS A 58 -11.099 0.909 10.545 1.00 0.00 C ATOM 869 CG LYS A 58 -10.845 1.108 12.041 1.00 0.00 C ATOM 870 CD LYS A 58 -9.762 2.163 12.277 1.00 0.00 C ATOM 871 CE LYS A 58 -10.220 3.538 11.789 1.00 0.00 C ATOM 872 NZ LYS A 58 -11.440 3.964 12.509 1.00 0.00 N ATOM 0 H LYS A 58 -8.809 -0.181 10.497 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.572 -1.138 10.681 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.453 1.574 9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.128 1.181 10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.769 1.413 12.533 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.541 0.163 12.491 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.522 2.212 13.339 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.849 1.874 11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.426 4.268 11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.417 3.503 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.556 4.993 12.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.268 3.484 12.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.354 3.714 13.515 1.00 0.00 H new ATOM 886 N GLU A 59 -9.974 -0.789 7.899 1.00 0.00 N ATOM 887 CA GLU A 59 -10.040 -1.027 6.467 1.00 0.00 C ATOM 888 C GLU A 59 -11.055 -0.083 5.818 1.00 0.00 C ATOM 889 O GLU A 59 -11.932 -0.523 5.077 1.00 0.00 O ATOM 890 CB GLU A 59 -10.383 -2.488 6.168 1.00 0.00 C ATOM 891 CG GLU A 59 -9.210 -3.408 6.515 1.00 0.00 C ATOM 892 CD GLU A 59 -9.354 -4.765 5.822 1.00 0.00 C ATOM 893 OE1 GLU A 59 -9.356 -4.766 4.572 1.00 0.00 O ATOM 894 OE2 GLU A 59 -9.459 -5.769 6.559 1.00 0.00 O ATOM 0 H GLU A 59 -9.036 -0.611 8.259 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.058 -0.824 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.263 -2.783 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.636 -2.598 5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.274 -2.939 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.162 -3.550 7.595 1.00 0.00 H new ATOM 901 N GLU A 60 -10.901 1.198 6.121 1.00 0.00 N ATOM 902 CA GLU A 60 -11.792 2.208 5.577 1.00 0.00 C ATOM 903 C GLU A 60 -11.952 2.018 4.067 1.00 0.00 C ATOM 904 O GLU A 60 -11.054 2.355 3.297 1.00 0.00 O ATOM 905 CB GLU A 60 -11.289 3.616 5.902 1.00 0.00 C ATOM 906 CG GLU A 60 -12.168 4.281 6.963 1.00 0.00 C ATOM 907 CD GLU A 60 -12.544 5.705 6.550 1.00 0.00 C ATOM 908 OE1 GLU A 60 -13.593 5.845 5.885 1.00 0.00 O ATOM 909 OE2 GLU A 60 -11.774 6.622 6.909 1.00 0.00 O ATOM 0 H GLU A 60 -10.172 1.559 6.736 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.770 2.090 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.260 3.565 6.257 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.284 4.222 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.072 3.691 7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.640 4.303 7.916 1.00 0.00 H new ATOM 916 N ASP A 61 -13.101 1.478 3.689 1.00 0.00 N ATOM 917 CA ASP A 61 -13.389 1.238 2.285 1.00 0.00 C ATOM 918 C ASP A 61 -12.985 2.468 1.469 1.00 0.00 C ATOM 919 O ASP A 61 -13.230 3.600 1.882 1.00 0.00 O ATOM 920 CB ASP A 61 -14.884 0.995 2.064 1.00 0.00 C ATOM 921 CG ASP A 61 -15.242 -0.402 1.552 1.00 0.00 C ATOM 922 OD1 ASP A 61 -14.298 -1.127 1.173 1.00 0.00 O ATOM 923 OD2 ASP A 61 -16.453 -0.712 1.552 1.00 0.00 O ATOM 0 H ASP A 61 -13.844 1.200 4.330 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.829 0.357 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.408 1.166 3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.256 1.733 1.353 1.00 0.00 H new ATOM 928 N PRO A 62 -12.355 2.196 0.295 1.00 0.00 N ATOM 929 CA PRO A 62 -11.914 3.267 -0.583 1.00 0.00 C ATOM 930 C PRO A 62 -13.098 3.892 -1.323 1.00 0.00 C ATOM 931 O PRO A 62 -12.921 4.815 -2.116 1.00 0.00 O ATOM 932 CB PRO A 62 -10.905 2.619 -1.517 1.00 0.00 C ATOM 933 CG PRO A 62 -11.162 1.123 -1.435 1.00 0.00 C ATOM 934 CD PRO A 62 -12.048 0.868 -0.227 1.00 0.00 C ATOM 0 HA PRO A 62 -11.460 4.096 -0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.029 2.981 -2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.885 2.857 -1.216 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.646 0.768 -2.345 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.222 0.579 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.956 0.333 -0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.536 0.258 0.518 1.00 0.00 H new ATOM 942 N ARG A 63 -14.279 3.365 -1.036 1.00 0.00 N ATOM 943 CA ARG A 63 -15.492 3.860 -1.664 1.00 0.00 C ATOM 944 C ARG A 63 -16.105 4.983 -0.824 1.00 0.00 C ATOM 945 O ARG A 63 -16.697 5.915 -1.365 1.00 0.00 O ATOM 946 CB ARG A 63 -16.521 2.741 -1.834 1.00 0.00 C ATOM 947 CG ARG A 63 -15.975 1.625 -2.728 1.00 0.00 C ATOM 948 CD ARG A 63 -16.202 0.253 -2.092 1.00 0.00 C ATOM 949 NE ARG A 63 -16.114 -0.804 -3.124 1.00 0.00 N ATOM 950 CZ ARG A 63 -14.964 -1.246 -3.650 1.00 0.00 C ATOM 951 NH1 ARG A 63 -13.797 -0.725 -3.245 1.00 0.00 N ATOM 952 NH2 ARG A 63 -14.979 -2.209 -4.582 1.00 0.00 N ATOM 0 H ARG A 63 -14.422 2.600 -0.377 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.222 4.243 -2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -16.785 2.334 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.435 3.146 -2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -16.462 1.663 -3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.909 1.779 -2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -15.459 0.076 -1.314 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.180 0.223 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.983 -1.222 -3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.785 0.008 -2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.922 -1.062 -3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.866 -2.606 -4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.103 -2.545 -4.982 1.00 0.00 H new ATOM 966 N THR A 64 -15.940 4.857 0.485 1.00 0.00 N ATOM 967 CA THR A 64 -16.469 5.849 1.405 1.00 0.00 C ATOM 968 C THR A 64 -15.328 6.592 2.102 1.00 0.00 C ATOM 969 O THR A 64 -15.519 7.697 2.608 1.00 0.00 O ATOM 970 CB THR A 64 -17.415 5.138 2.375 1.00 0.00 C ATOM 971 OG1 THR A 64 -16.565 4.255 3.102 1.00 0.00 O ATOM 972 CG2 THR A 64 -18.396 4.207 1.660 1.00 0.00 C ATOM 0 H THR A 64 -15.447 4.083 0.930 1.00 0.00 H new ATOM 0 HA THR A 64 -17.038 6.614 0.877 1.00 0.00 H new ATOM 0 HB THR A 64 -17.972 5.879 2.949 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.096 3.754 3.756 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.044 3.728 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.003 4.784 0.962 1.00 0.00 H new ATOM 0 HG23 THR A 64 -17.841 3.444 1.113 1.00 0.00 H new ATOM 980 N ALA A 65 -14.166 5.955 2.108 1.00 0.00 N ATOM 981 CA ALA A 65 -12.994 6.541 2.735 1.00 0.00 C ATOM 982 C ALA A 65 -12.946 8.037 2.419 1.00 0.00 C ATOM 983 O ALA A 65 -13.290 8.453 1.313 1.00 0.00 O ATOM 984 CB ALA A 65 -11.739 5.804 2.262 1.00 0.00 C ATOM 0 H ALA A 65 -14.011 5.038 1.688 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.045 6.435 3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.860 6.244 2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.810 4.752 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.653 5.891 1.179 1.00 0.00 H new ATOM 990 N SER A 66 -12.517 8.805 3.409 1.00 0.00 N ATOM 991 CA SER A 66 -12.420 10.246 3.251 1.00 0.00 C ATOM 992 C SER A 66 -11.202 10.597 2.394 1.00 0.00 C ATOM 993 O SER A 66 -10.260 9.812 2.297 1.00 0.00 O ATOM 994 CB SER A 66 -12.333 10.945 4.609 1.00 0.00 C ATOM 995 OG SER A 66 -13.605 11.408 5.053 1.00 0.00 O ATOM 0 H SER A 66 -12.232 8.456 4.324 1.00 0.00 H new ATOM 0 HA SER A 66 -13.322 10.597 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.921 10.256 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.644 11.787 4.540 1.00 0.00 H new ATOM 0 HG SER A 66 -13.508 11.847 5.924 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.260 11.777 1.794 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.173 12.241 0.949 1.00 0.00 C ATOM 1003 C GLN A 67 -8.831 12.049 1.657 1.00 0.00 C ATOM 1004 O GLN A 67 -7.882 11.533 1.068 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.377 13.704 0.547 1.00 0.00 C ATOM 1006 CG GLN A 67 -10.799 13.816 -0.919 1.00 0.00 C ATOM 1007 CD GLN A 67 -11.741 15.003 -1.129 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -12.892 14.995 -0.724 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -11.190 16.022 -1.783 1.00 0.00 N ATOM 0 H GLN A 67 -12.043 12.426 1.876 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.168 11.645 0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.137 14.157 1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.454 14.261 0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.916 13.932 -1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.293 12.896 -1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.221 15.964 -2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.737 16.862 -1.973 1.00 0.00 H new ATOM 1018 N SER A 68 -8.793 12.475 2.911 1.00 0.00 N ATOM 1019 CA SER A 68 -7.582 12.357 3.706 1.00 0.00 C ATOM 1020 C SER A 68 -7.030 10.933 3.608 1.00 0.00 C ATOM 1021 O SER A 68 -5.840 10.741 3.364 1.00 0.00 O ATOM 1022 CB SER A 68 -7.845 12.726 5.167 1.00 0.00 C ATOM 1023 OG SER A 68 -6.808 13.542 5.706 1.00 0.00 O ATOM 0 H SER A 68 -9.582 12.903 3.396 1.00 0.00 H new ATOM 0 HA SER A 68 -6.843 13.054 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.797 13.252 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.936 11.816 5.760 1.00 0.00 H new ATOM 0 HG SER A 68 -7.013 13.758 6.640 1.00 0.00 H new ATOM 1029 N LEU A 69 -7.920 9.972 3.805 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.537 8.572 3.743 1.00 0.00 C ATOM 1031 C LEU A 69 -7.316 8.173 2.282 1.00 0.00 C ATOM 1032 O LEU A 69 -6.274 7.618 1.937 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.564 7.702 4.469 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.012 6.467 5.183 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.042 5.888 6.155 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.525 5.423 4.175 1.00 0.00 C ATOM 0 H LEU A 69 -8.906 10.135 4.008 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.593 8.412 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.081 8.321 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.310 7.375 3.745 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.148 6.772 5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.623 5.011 6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.298 6.638 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.939 5.602 5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.137 4.555 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.355 5.117 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.735 5.853 3.559 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.314 8.472 1.463 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.242 8.151 0.048 1.00 0.00 C ATOM 1050 C LEU A 70 -6.869 8.556 -0.493 1.00 0.00 C ATOM 1051 O LEU A 70 -6.215 7.775 -1.183 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.412 8.787 -0.706 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.609 7.874 -0.979 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -11.791 8.672 -1.534 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.217 6.715 -1.897 1.00 0.00 C ATOM 0 H LEU A 70 -9.177 8.933 1.753 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.341 7.076 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.760 9.649 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.042 9.163 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.930 7.439 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.629 8.000 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.089 9.432 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.499 9.154 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.086 6.082 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.855 7.109 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.430 6.127 -1.425 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.474 9.776 -0.160 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.191 10.294 -0.604 1.00 0.00 C ATOM 1069 C VAL A 71 -4.104 9.250 -0.338 1.00 0.00 C ATOM 1070 O VAL A 71 -3.201 9.067 -1.152 1.00 0.00 O ATOM 1071 CB VAL A 71 -4.907 11.637 0.070 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.404 11.922 0.114 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.660 12.771 -0.628 1.00 0.00 C ATOM 0 H VAL A 71 -7.020 10.421 0.412 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.206 10.481 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.267 11.579 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.230 12.883 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.901 11.136 0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.009 11.951 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.440 13.715 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.345 12.830 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.732 12.578 -0.583 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.228 8.592 0.806 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.268 7.571 1.190 1.00 0.00 C ATOM 1085 C ASN A 72 -3.561 6.285 0.415 1.00 0.00 C ATOM 1086 O ASN A 72 -2.662 5.702 -0.190 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.367 7.256 2.684 1.00 0.00 C ATOM 1088 CG ASN A 72 -3.478 8.540 3.509 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -2.977 9.590 3.141 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -4.160 8.398 4.641 1.00 0.00 N ATOM 0 H ASN A 72 -4.979 8.746 1.479 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.269 7.946 0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.236 6.624 2.869 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.489 6.692 2.999 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.290 9.197 5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.553 7.490 4.889 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.821 5.879 0.459 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.244 4.672 -0.231 1.00 0.00 C ATOM 1099 C LEU A 73 -4.725 4.705 -1.670 1.00 0.00 C ATOM 1100 O LEU A 73 -4.190 3.714 -2.163 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.760 4.499 -0.128 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.341 4.503 1.288 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.866 4.381 1.255 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.697 3.414 2.148 1.00 0.00 C ATOM 0 H LEU A 73 -5.564 6.365 0.962 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.813 3.791 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.236 5.297 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.032 3.559 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.105 5.461 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.254 4.386 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.286 5.221 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.146 3.448 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.128 3.439 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.881 2.439 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.623 3.588 2.211 1.00 0.00 H new ATOM 1116 N ARG A 74 -4.903 5.855 -2.303 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.459 6.030 -3.676 1.00 0.00 C ATOM 1118 C ARG A 74 -2.936 5.911 -3.761 1.00 0.00 C ATOM 1119 O ARG A 74 -2.411 5.250 -4.655 1.00 0.00 O ATOM 1120 CB ARG A 74 -4.889 7.392 -4.224 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.243 7.297 -4.930 1.00 0.00 C ATOM 1122 CD ARG A 74 -6.893 8.676 -5.059 1.00 0.00 C ATOM 1123 NE ARG A 74 -7.523 8.816 -6.391 1.00 0.00 N ATOM 1124 CZ ARG A 74 -8.234 9.884 -6.777 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -8.409 10.913 -5.935 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -8.770 9.925 -8.004 1.00 0.00 N ATOM 0 H ARG A 74 -5.348 6.675 -1.891 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.922 5.247 -4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.950 8.113 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.137 7.761 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.111 6.859 -5.920 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.902 6.631 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.641 8.809 -4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.144 9.455 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.409 8.052 -7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.001 10.883 -5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.950 11.726 -6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.637 9.143 -8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.311 10.738 -8.297 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.270 6.562 -2.818 1.00 0.00 N ATOM 1141 CA ALA A 75 -0.818 6.538 -2.775 1.00 0.00 C ATOM 1142 C ALA A 75 -0.340 5.088 -2.670 1.00 0.00 C ATOM 1143 O ALA A 75 0.511 4.653 -3.444 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.327 7.400 -1.611 1.00 0.00 C ATOM 0 H ALA A 75 -2.710 7.109 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.400 6.958 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.762 7.382 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.669 8.426 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.724 7.008 -0.675 1.00 0.00 H new ATOM 1150 N MET A 76 -0.907 4.380 -1.704 1.00 0.00 N ATOM 1151 CA MET A 76 -0.549 2.989 -1.487 1.00 0.00 C ATOM 1152 C MET A 76 -0.667 2.184 -2.783 1.00 0.00 C ATOM 1153 O MET A 76 0.337 1.733 -3.331 1.00 0.00 O ATOM 1154 CB MET A 76 -1.469 2.385 -0.424 1.00 0.00 C ATOM 1155 CG MET A 76 -1.069 2.851 0.977 1.00 0.00 C ATOM 1156 SD MET A 76 -2.171 2.149 2.192 1.00 0.00 S ATOM 1157 CE MET A 76 -3.167 3.581 2.572 1.00 0.00 C ATOM 0 H MET A 76 -1.612 4.744 -1.063 1.00 0.00 H new ATOM 0 HA MET A 76 0.487 2.948 -1.149 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.501 2.672 -0.626 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.425 1.297 -0.476 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.043 2.552 1.189 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.102 3.939 1.030 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.146 3.259 2.926 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.676 4.170 3.347 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.287 4.189 1.675 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.903 2.028 -3.234 1.00 0.00 N ATOM 1168 CA GLN A 77 -2.166 1.285 -4.454 1.00 0.00 C ATOM 1169 C GLN A 77 -1.240 1.761 -5.576 1.00 0.00 C ATOM 1170 O GLN A 77 -0.861 0.980 -6.447 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.634 1.408 -4.866 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.904 0.653 -6.169 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.701 -0.626 -5.906 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.714 -0.897 -6.531 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -4.190 -1.396 -4.950 1.00 0.00 N ATOM 0 H GLN A 77 -2.733 2.404 -2.776 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.963 0.231 -4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.272 1.014 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.893 2.459 -4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.455 1.294 -6.857 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.959 0.404 -6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.339 -1.111 -4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.649 -2.272 -4.701 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.902 3.041 -5.517 1.00 0.00 N ATOM 1185 CA ASN A 78 -0.028 3.631 -6.516 1.00 0.00 C ATOM 1186 C ASN A 78 1.402 3.135 -6.293 1.00 0.00 C ATOM 1187 O ASN A 78 2.148 2.930 -7.249 1.00 0.00 O ATOM 1188 CB ASN A 78 -0.021 5.157 -6.410 1.00 0.00 C ATOM 1189 CG ASN A 78 0.684 5.787 -7.613 1.00 0.00 C ATOM 1190 OD1 ASN A 78 0.810 5.194 -8.672 1.00 0.00 O ATOM 1191 ND2 ASN A 78 1.136 7.018 -7.392 1.00 0.00 N ATOM 0 H ASN A 78 -1.218 3.686 -4.793 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.396 3.340 -7.500 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.045 5.526 -6.350 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.481 5.459 -5.491 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.622 7.524 -8.133 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.997 7.457 -6.482 1.00 0.00 H new ATOM 1198 N PHE A 79 1.741 2.956 -5.025 1.00 0.00 N ATOM 1199 CA PHE A 79 3.069 2.488 -4.664 1.00 0.00 C ATOM 1200 C PHE A 79 3.204 0.983 -4.907 1.00 0.00 C ATOM 1201 O PHE A 79 4.277 0.504 -5.272 1.00 0.00 O ATOM 1202 CB PHE A 79 3.252 2.770 -3.172 1.00 0.00 C ATOM 1203 CG PHE A 79 4.446 2.047 -2.544 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.713 2.423 -2.865 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.240 1.030 -1.665 1.00 0.00 C ATOM 1206 CE1 PHE A 79 6.821 1.753 -2.282 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.348 0.360 -1.082 1.00 0.00 C ATOM 1208 CZ PHE A 79 6.615 0.735 -1.403 1.00 0.00 C ATOM 0 H PHE A 79 1.119 3.126 -4.235 1.00 0.00 H new ATOM 0 HA PHE A 79 3.820 2.996 -5.269 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.374 3.844 -3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.345 2.478 -2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.876 3.231 -3.563 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.234 0.732 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.827 2.051 -2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.184 -0.447 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.458 0.225 -0.960 1.00 0.00 H new ATOM 1218 N LEU A 80 2.101 0.280 -4.695 1.00 0.00 N ATOM 1219 CA LEU A 80 2.084 -1.160 -4.886 1.00 0.00 C ATOM 1220 C LEU A 80 2.173 -1.473 -6.382 1.00 0.00 C ATOM 1221 O LEU A 80 2.501 -2.594 -6.766 1.00 0.00 O ATOM 1222 CB LEU A 80 0.862 -1.777 -4.201 1.00 0.00 C ATOM 1223 CG LEU A 80 0.783 -1.597 -2.684 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.611 -1.951 -2.163 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.879 -2.398 -1.979 1.00 0.00 C ATOM 0 H LEU A 80 1.213 0.681 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 80 2.952 -1.617 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.035 -1.346 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.846 -2.844 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 80 0.955 -0.545 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.641 -1.815 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.350 -1.301 -2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.837 -2.990 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.800 -2.252 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.763 -3.457 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.856 -2.057 -2.321 1.00 0.00 H new ATOM 1237 N ASN A 81 1.876 -0.461 -7.184 1.00 0.00 N ATOM 1238 CA ASN A 81 1.919 -0.614 -8.628 1.00 0.00 C ATOM 1239 C ASN A 81 3.377 -0.654 -9.089 1.00 0.00 C ATOM 1240 O ASN A 81 3.692 -1.262 -10.111 1.00 0.00 O ATOM 1241 CB ASN A 81 1.234 0.562 -9.327 1.00 0.00 C ATOM 1242 CG ASN A 81 -0.288 0.445 -9.234 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -0.848 -0.634 -9.123 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -0.925 1.611 -9.286 1.00 0.00 N ATOM 0 H ASN A 81 1.605 0.468 -6.861 1.00 0.00 H new ATOM 0 HA ASN A 81 1.401 -1.538 -8.885 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.559 1.498 -8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.536 0.594 -10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.943 1.639 -9.232 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.395 2.478 -9.380 1.00 0.00 H new ATOM 1251 N LEU A 82 4.228 0.002 -8.314 1.00 0.00 N ATOM 1252 CA LEU A 82 5.646 0.048 -8.630 1.00 0.00 C ATOM 1253 C LEU A 82 6.159 -1.374 -8.861 1.00 0.00 C ATOM 1254 O LEU A 82 5.507 -2.344 -8.477 1.00 0.00 O ATOM 1255 CB LEU A 82 6.411 0.811 -7.547 1.00 0.00 C ATOM 1256 CG LEU A 82 6.383 2.337 -7.653 1.00 0.00 C ATOM 1257 CD1 LEU A 82 7.374 2.973 -6.677 1.00 0.00 C ATOM 1258 CD2 LEU A 82 6.625 2.791 -9.094 1.00 0.00 C ATOM 0 H LEU A 82 3.963 0.506 -7.468 1.00 0.00 H new ATOM 0 HA LEU A 82 5.813 0.601 -9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.006 0.527 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.451 0.485 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 82 5.388 2.681 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.334 4.058 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.114 2.689 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.382 2.626 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.600 3.880 -9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.599 2.435 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.848 2.382 -9.740 1.00 0.00 H new ATOM 1270 N PRO A 83 7.355 -1.456 -9.504 1.00 0.00 N ATOM 1271 CA PRO A 83 7.964 -2.744 -9.791 1.00 0.00 C ATOM 1272 C PRO A 83 8.563 -3.361 -8.525 1.00 0.00 C ATOM 1273 O PRO A 83 9.276 -2.690 -7.781 1.00 0.00 O ATOM 1274 CB PRO A 83 9.004 -2.457 -10.861 1.00 0.00 C ATOM 1275 CG PRO A 83 9.263 -0.961 -10.801 1.00 0.00 C ATOM 1276 CD PRO A 83 8.156 -0.329 -9.973 1.00 0.00 C ATOM 0 HA PRO A 83 7.243 -3.482 -10.143 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.919 -3.019 -10.677 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.642 -2.751 -11.846 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.236 -0.760 -10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.279 -0.536 -11.805 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.563 0.242 -9.139 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.559 0.360 -10.570 1.00 0.00 H new ATOM 1284 N GLU A 84 8.250 -4.632 -8.320 1.00 0.00 N ATOM 1285 CA GLU A 84 8.748 -5.347 -7.158 1.00 0.00 C ATOM 1286 C GLU A 84 10.234 -5.049 -6.948 1.00 0.00 C ATOM 1287 O GLU A 84 10.675 -4.836 -5.819 1.00 0.00 O ATOM 1288 CB GLU A 84 8.505 -6.852 -7.294 1.00 0.00 C ATOM 1289 CG GLU A 84 9.018 -7.604 -6.064 1.00 0.00 C ATOM 1290 CD GLU A 84 9.310 -9.068 -6.399 1.00 0.00 C ATOM 1291 OE1 GLU A 84 8.325 -9.815 -6.582 1.00 0.00 O ATOM 1292 OE2 GLU A 84 10.512 -9.406 -6.463 1.00 0.00 O ATOM 0 H GLU A 84 7.658 -5.185 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 84 8.200 -5.001 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.439 -7.042 -7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.005 -7.225 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.923 -7.125 -5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.278 -7.550 -5.266 1.00 0.00 H new ATOM 1299 N VAL A 85 10.966 -5.043 -8.052 1.00 0.00 N ATOM 1300 CA VAL A 85 12.393 -4.774 -8.003 1.00 0.00 C ATOM 1301 C VAL A 85 12.628 -3.407 -7.357 1.00 0.00 C ATOM 1302 O VAL A 85 13.572 -3.235 -6.587 1.00 0.00 O ATOM 1303 CB VAL A 85 12.995 -4.884 -9.406 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.274 -5.954 -10.229 1.00 0.00 C ATOM 1305 CG2 VAL A 85 12.969 -3.532 -10.121 1.00 0.00 C ATOM 0 H VAL A 85 10.597 -5.220 -8.986 1.00 0.00 H new ATOM 0 HA VAL A 85 12.901 -5.516 -7.387 1.00 0.00 H new ATOM 0 HB VAL A 85 14.037 -5.187 -9.301 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.721 -6.012 -11.221 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.367 -6.920 -9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.220 -5.693 -10.321 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.402 -3.638 -11.116 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.939 -3.187 -10.209 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.547 -2.807 -9.549 1.00 0.00 H new ATOM 1315 N GLU A 86 11.754 -2.471 -7.695 1.00 0.00 N ATOM 1316 CA GLU A 86 11.855 -1.125 -7.157 1.00 0.00 C ATOM 1317 C GLU A 86 11.527 -1.124 -5.662 1.00 0.00 C ATOM 1318 O GLU A 86 12.352 -0.723 -4.843 1.00 0.00 O ATOM 1319 CB GLU A 86 10.944 -0.160 -7.919 1.00 0.00 C ATOM 1320 CG GLU A 86 11.713 0.562 -9.026 1.00 0.00 C ATOM 1321 CD GLU A 86 12.761 -0.358 -9.656 1.00 0.00 C ATOM 1322 OE1 GLU A 86 12.389 -1.069 -10.614 1.00 0.00 O ATOM 1323 OE2 GLU A 86 13.910 -0.329 -9.165 1.00 0.00 O ATOM 0 H GLU A 86 10.973 -2.618 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 86 12.881 -0.781 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.107 -0.709 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.523 0.570 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.018 0.905 -9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.200 1.448 -8.617 1.00 0.00 H new ATOM 1330 N ARG A 87 10.321 -1.578 -5.354 1.00 0.00 N ATOM 1331 CA ARG A 87 9.874 -1.635 -3.972 1.00 0.00 C ATOM 1332 C ARG A 87 10.939 -2.299 -3.097 1.00 0.00 C ATOM 1333 O ARG A 87 11.198 -1.851 -1.981 1.00 0.00 O ATOM 1334 CB ARG A 87 8.564 -2.415 -3.849 1.00 0.00 C ATOM 1335 CG ARG A 87 7.562 -1.975 -4.919 1.00 0.00 C ATOM 1336 CD ARG A 87 6.129 -2.038 -4.387 1.00 0.00 C ATOM 1337 NE ARG A 87 5.409 -3.175 -5.003 1.00 0.00 N ATOM 1338 CZ ARG A 87 5.594 -4.456 -4.657 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.476 -4.771 -3.699 1.00 0.00 N ATOM 1340 NH2 ARG A 87 4.897 -5.423 -5.270 1.00 0.00 N ATOM 0 H ARG A 87 9.640 -1.910 -6.037 1.00 0.00 H new ATOM 0 HA ARG A 87 9.708 -0.612 -3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.761 -3.482 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.136 -2.260 -2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.790 -0.959 -5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.657 -2.615 -5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.140 -2.148 -3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.609 -1.106 -4.607 1.00 0.00 H new ATOM 0 HE ARG A 87 4.730 -2.971 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.007 -4.035 -3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.617 -5.746 -3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.226 -5.184 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.038 -6.398 -5.007 1.00 0.00 H new ATOM 1354 N ASP A 88 11.527 -3.357 -3.636 1.00 0.00 N ATOM 1355 CA ASP A 88 12.557 -4.088 -2.918 1.00 0.00 C ATOM 1356 C ASP A 88 13.659 -3.117 -2.488 1.00 0.00 C ATOM 1357 O ASP A 88 14.083 -3.126 -1.333 1.00 0.00 O ATOM 1358 CB ASP A 88 13.192 -5.161 -3.805 1.00 0.00 C ATOM 1359 CG ASP A 88 14.314 -5.965 -3.146 1.00 0.00 C ATOM 1360 OD1 ASP A 88 14.068 -6.474 -2.031 1.00 0.00 O ATOM 1361 OD2 ASP A 88 15.393 -6.052 -3.771 1.00 0.00 O ATOM 0 H ASP A 88 11.310 -3.725 -4.562 1.00 0.00 H new ATOM 0 HA ASP A 88 12.093 -4.563 -2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.413 -5.851 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.587 -4.683 -4.702 1.00 0.00 H new ATOM 1366 N ARG A 89 14.091 -2.303 -3.440 1.00 0.00 N ATOM 1367 CA ARG A 89 15.135 -1.328 -3.174 1.00 0.00 C ATOM 1368 C ARG A 89 14.593 -0.194 -2.302 1.00 0.00 C ATOM 1369 O ARG A 89 15.236 0.213 -1.336 1.00 0.00 O ATOM 1370 CB ARG A 89 15.686 -0.743 -4.476 1.00 0.00 C ATOM 1371 CG ARG A 89 17.200 -0.941 -4.569 1.00 0.00 C ATOM 1372 CD ARG A 89 17.615 -1.332 -5.989 1.00 0.00 C ATOM 1373 NE ARG A 89 18.999 -1.857 -5.985 1.00 0.00 N ATOM 1374 CZ ARG A 89 20.095 -1.086 -5.974 1.00 0.00 C ATOM 1375 NH1 ARG A 89 19.976 0.248 -5.966 1.00 0.00 N ATOM 1376 NH2 ARG A 89 21.311 -1.650 -5.971 1.00 0.00 N ATOM 0 H ARG A 89 13.737 -2.299 -4.397 1.00 0.00 H new ATOM 0 HA ARG A 89 15.941 -1.840 -2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.200 -1.220 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.451 0.320 -4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.709 -0.022 -4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.513 -1.715 -3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.932 -2.086 -6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.547 -0.466 -6.648 1.00 0.00 H new ATOM 0 HE ARG A 89 19.126 -2.869 -5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 89 19.051 0.678 -5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.811 0.834 -5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.402 -2.666 -5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 89 22.145 -1.063 -5.963 1.00 0.00 H new ATOM 1390 N ILE A 90 13.414 0.284 -2.674 1.00 0.00 N ATOM 1391 CA ILE A 90 12.778 1.363 -1.938 1.00 0.00 C ATOM 1392 C ILE A 90 12.761 1.017 -0.447 1.00 0.00 C ATOM 1393 O ILE A 90 13.229 1.798 0.380 1.00 0.00 O ATOM 1394 CB ILE A 90 11.394 1.662 -2.515 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.503 2.273 -3.914 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.583 2.547 -1.566 1.00 0.00 C ATOM 1397 CD1 ILE A 90 10.134 2.335 -4.594 1.00 0.00 C ATOM 0 H ILE A 90 12.883 -0.056 -3.476 1.00 0.00 H new ATOM 0 HA ILE A 90 13.349 2.285 -2.045 1.00 0.00 H new ATOM 0 HB ILE A 90 10.856 0.719 -2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.924 3.276 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 90 12.188 1.681 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.603 2.744 -2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.460 2.038 -0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.107 3.490 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.240 2.773 -5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.726 1.328 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.459 2.948 -3.997 1.00 0.00 H new ATOM 1409 N TYR A 91 12.218 -0.154 -0.151 1.00 0.00 N ATOM 1410 CA TYR A 91 12.134 -0.613 1.225 1.00 0.00 C ATOM 1411 C TYR A 91 13.515 -0.634 1.882 1.00 0.00 C ATOM 1412 O TYR A 91 13.667 -0.224 3.031 1.00 0.00 O ATOM 1413 CB TYR A 91 11.591 -2.042 1.161 1.00 0.00 C ATOM 1414 CG TYR A 91 10.139 -2.136 0.688 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.193 -1.264 1.187 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.775 -3.092 -0.239 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.826 -1.352 0.742 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.409 -3.180 -0.684 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.502 -2.305 -0.172 1.00 0.00 C ATOM 1420 OH TYR A 91 6.211 -2.389 -0.593 1.00 0.00 O ATOM 0 H TYR A 91 11.832 -0.799 -0.840 1.00 0.00 H new ATOM 0 HA TYR A 91 11.498 0.050 1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.219 -2.629 0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.670 -2.494 2.150 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.478 -0.515 1.911 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.515 -3.774 -0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.076 -0.677 1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.111 -3.924 -1.408 1.00 0.00 H new ATOM 0 HH TYR A 91 5.992 -1.602 -1.135 1.00 0.00 H new ATOM 1430 N GLN A 92 14.488 -1.117 1.123 1.00 0.00 N ATOM 1431 CA GLN A 92 15.853 -1.198 1.616 1.00 0.00 C ATOM 1432 C GLN A 92 16.373 0.198 1.968 1.00 0.00 C ATOM 1433 O GLN A 92 16.787 0.443 3.100 1.00 0.00 O ATOM 1434 CB GLN A 92 16.765 -1.883 0.597 1.00 0.00 C ATOM 1435 CG GLN A 92 18.238 -1.700 0.970 1.00 0.00 C ATOM 1436 CD GLN A 92 18.593 -2.513 2.216 1.00 0.00 C ATOM 1437 OE1 GLN A 92 18.378 -2.097 3.343 1.00 0.00 O ATOM 1438 NE2 GLN A 92 19.146 -3.694 1.953 1.00 0.00 N ATOM 0 H GLN A 92 14.358 -1.456 0.170 1.00 0.00 H new ATOM 0 HA GLN A 92 15.857 -1.805 2.521 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.528 -2.946 0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.583 -1.470 -0.395 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.869 -2.010 0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.443 -0.645 1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 92 19.298 -3.982 0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.418 -4.312 2.718 1.00 0.00 H new ATOM 1447 N ASP A 93 16.335 1.076 0.976 1.00 0.00 N ATOM 1448 CA ASP A 93 16.797 2.440 1.166 1.00 0.00 C ATOM 1449 C ASP A 93 16.165 3.016 2.435 1.00 0.00 C ATOM 1450 O ASP A 93 16.807 3.771 3.164 1.00 0.00 O ATOM 1451 CB ASP A 93 16.389 3.329 -0.011 1.00 0.00 C ATOM 1452 CG ASP A 93 17.535 4.104 -0.664 1.00 0.00 C ATOM 1453 OD1 ASP A 93 18.586 3.469 -0.902 1.00 0.00 O ATOM 1454 OD2 ASP A 93 17.335 5.313 -0.909 1.00 0.00 O ATOM 0 H ASP A 93 15.991 0.869 0.038 1.00 0.00 H new ATOM 0 HA ASP A 93 17.884 2.420 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.913 2.707 -0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.639 4.041 0.334 1.00 0.00 H new ATOM 1459 N GLU A 94 14.915 2.638 2.659 1.00 0.00 N ATOM 1460 CA GLU A 94 14.190 3.107 3.827 1.00 0.00 C ATOM 1461 C GLU A 94 15.026 2.897 5.091 1.00 0.00 C ATOM 1462 O GLU A 94 15.401 3.860 5.759 1.00 0.00 O ATOM 1463 CB GLU A 94 12.833 2.411 3.946 1.00 0.00 C ATOM 1464 CG GLU A 94 11.770 3.371 4.485 1.00 0.00 C ATOM 1465 CD GLU A 94 11.881 3.516 6.004 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.791 2.872 6.570 1.00 0.00 O ATOM 1467 OE2 GLU A 94 11.054 4.267 6.565 1.00 0.00 O ATOM 0 H GLU A 94 14.386 2.012 2.051 1.00 0.00 H new ATOM 0 HA GLU A 94 14.005 4.175 3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.527 2.034 2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.919 1.549 4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.884 4.347 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.778 3.005 4.223 1.00 0.00 H new