USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 590 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 93 SER OG : rot 133:sc= -1.68! USER MOD Set 1.2: A 100 SER OG : rot 124:sc= 0.96 USER MOD Set 2.1: A 95 ASN : amide:sc= -1.5 K(o=-2,f=-11!) USER MOD Set 2.2: A 97 CYS SG : rot -63:sc= -0.494! USER MOD Set 3.1: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 85 ASN : amide:sc= -0.0856 X(o=-0.086,f=-0.17) USER MOD Single : A 22 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.44) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.546 X(o=-0.55,f=-0.44) USER MOD Single : A 37 THR OG1 : rot 7:sc= -1.57! USER MOD Single : A 39 THR OG1 : rot 174:sc= -4.77! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -17:sc= -1.26 USER MOD Single : A 53 THR OG1 : rot -140:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.0721 K(o=0.072,f=-4.5!) USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.138) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 27:sc= 0.0442 USER MOD Single : A 62 MET CE :methyl 163:sc= -3.91! (180deg=-4.83!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -2.91 K(o=-2.9,f=-0.5) USER MOD Single : A 71 TYR OH : rot -152:sc= 1.17 USER MOD Single : A 72 HIS : no HD1:sc= -0.187 X(o=-0.19,f=0.016) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00654 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 30:sc= -3.51! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -175:sc= 0 (180deg=-0.0571) USER MOD Single : A 106 THR OG1 : rot 101:sc= 0.579 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 95:sc= 0.0168 USER MOD ----------------------------------------------------------------- ATOM 223 N GLY A 19 -14.152 -13.060 -2.570 1.00 0.00 N ATOM 224 CA GLY A 19 -14.298 -11.633 -2.794 1.00 0.00 C ATOM 225 C GLY A 19 -12.932 -10.951 -2.896 1.00 0.00 C ATOM 226 O GLY A 19 -11.897 -11.606 -2.781 1.00 0.00 O ATOM 0 HA2 GLY A 19 -14.863 -11.461 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.870 -11.190 -1.979 1.00 0.00 H new ATOM 230 N PRO A 20 -12.974 -9.610 -3.116 1.00 0.00 N ATOM 231 CA PRO A 20 -11.753 -8.832 -3.235 1.00 0.00 C ATOM 232 C PRO A 20 -11.102 -8.621 -1.866 1.00 0.00 C ATOM 233 O PRO A 20 -11.670 -8.991 -0.840 1.00 0.00 O ATOM 234 CB PRO A 20 -12.177 -7.530 -3.896 1.00 0.00 C ATOM 235 CG PRO A 20 -13.682 -7.436 -3.702 1.00 0.00 C ATOM 236 CD PRO A 20 -14.182 -8.801 -3.258 1.00 0.00 C ATOM 0 HA PRO A 20 -10.991 -9.336 -3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.671 -6.678 -3.442 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.919 -7.527 -4.955 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.924 -6.680 -2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.168 -7.135 -4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.728 -8.736 -2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.863 -9.231 -3.992 1.00 0.00 H new ATOM 241 N PRO A 21 -9.886 -8.012 -1.895 1.00 0.00 N ATOM 242 CA PRO A 21 -9.152 -7.748 -0.670 1.00 0.00 C ATOM 243 C PRO A 21 -9.763 -6.571 0.093 1.00 0.00 C ATOM 244 O PRO A 21 -10.213 -5.600 -0.513 1.00 0.00 O ATOM 245 CB PRO A 21 -7.722 -7.489 -1.116 1.00 0.00 C ATOM 246 CG PRO A 21 -7.801 -7.159 -2.597 1.00 0.00 C ATOM 247 CD PRO A 21 -9.182 -7.560 -3.091 1.00 0.00 C ATOM 0 HA PRO A 21 -9.191 -8.581 0.032 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.281 -6.665 -0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.095 -8.364 -0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.631 -6.095 -2.761 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.028 -7.694 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.695 -6.720 -3.559 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.121 -8.352 -3.838 1.00 0.00 H new ATOM 252 N GLN A 22 -9.757 -6.695 1.413 1.00 0.00 N ATOM 253 CA GLN A 22 -10.305 -5.653 2.264 1.00 0.00 C ATOM 254 C GLN A 22 -9.869 -4.275 1.764 1.00 0.00 C ATOM 255 O GLN A 22 -10.705 -3.446 1.410 1.00 0.00 O ATOM 256 CB GLN A 22 -9.893 -5.863 3.722 1.00 0.00 C ATOM 257 CG GLN A 22 -10.935 -6.696 4.472 1.00 0.00 C ATOM 258 CD GLN A 22 -10.615 -6.756 5.968 1.00 0.00 C ATOM 259 OE1 GLN A 22 -10.382 -7.809 6.537 1.00 0.00 O ATOM 260 NE2 GLN A 22 -10.619 -5.569 6.569 1.00 0.00 N ATOM 0 H GLN A 22 -9.381 -7.501 1.913 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.393 -5.707 2.217 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.925 -6.363 3.762 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.773 -4.897 4.212 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.925 -6.265 4.325 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.963 -7.705 4.062 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.822 -4.726 6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.419 -5.502 7.567 1.00 0.00 H new ATOM 267 N ILE A 23 -8.560 -4.072 1.751 1.00 0.00 N ATOM 268 CA ILE A 23 -8.002 -2.808 1.301 1.00 0.00 C ATOM 269 C ILE A 23 -6.638 -3.060 0.654 1.00 0.00 C ATOM 270 O ILE A 23 -6.017 -4.095 0.890 1.00 0.00 O ATOM 271 CB ILE A 23 -7.961 -1.800 2.451 1.00 0.00 C ATOM 272 CG1 ILE A 23 -7.962 -0.364 1.922 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.773 -2.070 3.374 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.544 0.092 1.572 1.00 0.00 C ATOM 0 H ILE A 23 -7.869 -4.762 2.045 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.639 -2.360 0.539 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.866 -1.924 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.597 -0.298 1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.388 0.303 2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.767 -1.339 4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.857 -3.073 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.846 -1.990 2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.573 1.116 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.917 0.048 2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.130 -0.563 0.805 1.00 0.00 H new ATOM 285 N VAL A 24 -6.212 -2.094 -0.147 1.00 0.00 N ATOM 286 CA VAL A 24 -4.934 -2.197 -0.829 1.00 0.00 C ATOM 287 C VAL A 24 -4.181 -0.872 -0.697 1.00 0.00 C ATOM 288 O VAL A 24 -4.631 0.155 -1.207 1.00 0.00 O ATOM 289 CB VAL A 24 -5.148 -2.621 -2.283 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.811 -2.788 -3.009 1.00 0.00 C ATOM 291 CG2 VAL A 24 -5.980 -3.903 -2.364 1.00 0.00 C ATOM 0 H VAL A 24 -6.730 -1.236 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.317 -2.968 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.704 -1.829 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.992 -3.090 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.270 -1.842 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.217 -3.552 -2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.117 -4.182 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.463 -4.706 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.953 -3.735 -1.903 1.00 0.00 H new ATOM 301 N LYS A 25 -3.050 -0.935 -0.012 1.00 0.00 N ATOM 302 CA LYS A 25 -2.232 0.248 0.193 1.00 0.00 C ATOM 303 C LYS A 25 -0.795 -0.048 -0.242 1.00 0.00 C ATOM 304 O LYS A 25 -0.438 -1.203 -0.472 1.00 0.00 O ATOM 305 CB LYS A 25 -2.347 0.735 1.640 1.00 0.00 C ATOM 306 CG LYS A 25 -1.972 -0.374 2.624 1.00 0.00 C ATOM 307 CD LYS A 25 -1.584 0.208 3.985 1.00 0.00 C ATOM 308 CE LYS A 25 -2.824 0.509 4.827 1.00 0.00 C ATOM 309 NZ LYS A 25 -2.633 0.044 6.218 1.00 0.00 N ATOM 0 H LYS A 25 -2.680 -1.787 0.409 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.591 1.070 -0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.695 1.595 1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.366 1.069 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.812 -1.058 2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.142 -0.955 2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.942 -0.495 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.007 1.121 3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.024 1.581 4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.695 0.020 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.485 0.257 6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.465 -0.982 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.815 0.530 6.637 1.00 0.00 H new ATOM 319 N ILE A 26 -0.010 1.014 -0.344 1.00 0.00 N ATOM 320 CA ILE A 26 1.379 0.881 -0.749 1.00 0.00 C ATOM 321 C ILE A 26 2.285 1.188 0.446 1.00 0.00 C ATOM 322 O ILE A 26 2.376 2.335 0.882 1.00 0.00 O ATOM 323 CB ILE A 26 1.665 1.749 -1.976 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.830 1.294 -3.175 1.00 0.00 C ATOM 325 CG2 ILE A 26 3.161 1.773 -2.295 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.016 2.446 -3.721 1.00 0.00 C ATOM 0 H ILE A 26 -0.309 1.970 -0.153 1.00 0.00 H new ATOM 0 HA ILE A 26 1.590 -0.143 -1.056 1.00 0.00 H new ATOM 0 HB ILE A 26 1.369 2.773 -1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.487 0.917 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.181 0.470 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.336 2.397 -3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.708 2.180 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.506 0.759 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.600 2.097 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.689 2.804 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.637 3.259 -4.038 1.00 0.00 H new ATOM 337 N GLU A 27 2.932 0.144 0.941 1.00 0.00 N ATOM 338 CA GLU A 27 3.828 0.287 2.076 1.00 0.00 C ATOM 339 C GLU A 27 4.736 1.502 1.885 1.00 0.00 C ATOM 340 O GLU A 27 4.923 2.295 2.807 1.00 0.00 O ATOM 341 CB GLU A 27 4.650 -0.986 2.290 1.00 0.00 C ATOM 342 CG GLU A 27 4.495 -1.505 3.721 1.00 0.00 C ATOM 343 CD GLU A 27 5.653 -1.034 4.603 1.00 0.00 C ATOM 344 OE1 GLU A 27 6.805 -1.368 4.253 1.00 0.00 O ATOM 345 OE2 GLU A 27 5.359 -0.352 5.608 1.00 0.00 O ATOM 0 H GLU A 27 2.854 -0.806 0.577 1.00 0.00 H new ATOM 0 HA GLU A 27 3.227 0.445 2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.330 -1.753 1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.701 -0.783 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.550 -1.156 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.458 -2.594 3.715 1.00 0.00 H new ATOM 350 N ASP A 28 5.280 1.611 0.681 1.00 0.00 N ATOM 351 CA ASP A 28 6.165 2.717 0.357 1.00 0.00 C ATOM 352 C ASP A 28 6.710 2.530 -1.061 1.00 0.00 C ATOM 353 O ASP A 28 6.401 1.539 -1.723 1.00 0.00 O ATOM 354 CB ASP A 28 7.355 2.769 1.317 1.00 0.00 C ATOM 355 CG ASP A 28 7.720 4.167 1.821 1.00 0.00 C ATOM 356 OD1 ASP A 28 8.423 4.875 1.067 1.00 0.00 O ATOM 357 OD2 ASP A 28 7.286 4.497 2.946 1.00 0.00 O ATOM 0 H ASP A 28 5.125 0.952 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 28 5.594 3.642 0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.137 2.135 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.224 2.341 0.818 1.00 0.00 H new ATOM 361 N VAL A 29 7.512 3.496 -1.485 1.00 0.00 N ATOM 362 CA VAL A 29 8.101 3.450 -2.811 1.00 0.00 C ATOM 363 C VAL A 29 9.485 4.104 -2.772 1.00 0.00 C ATOM 364 O VAL A 29 9.617 5.263 -2.383 1.00 0.00 O ATOM 365 CB VAL A 29 7.160 4.102 -3.826 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.695 5.476 -3.337 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.824 4.205 -5.201 1.00 0.00 C ATOM 0 H VAL A 29 7.767 4.315 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 29 8.237 2.417 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 29 6.280 3.466 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.027 5.918 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.166 5.365 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.560 6.124 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.134 4.672 -5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.728 4.809 -5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.083 3.207 -5.555 1.00 0.00 H new ATOM 377 N TRP A 30 10.481 3.331 -3.181 1.00 0.00 N ATOM 378 CA TRP A 30 11.849 3.821 -3.198 1.00 0.00 C ATOM 379 C TRP A 30 12.423 3.572 -4.594 1.00 0.00 C ATOM 380 O TRP A 30 12.115 2.562 -5.226 1.00 0.00 O ATOM 381 CB TRP A 30 12.677 3.172 -2.088 1.00 0.00 C ATOM 382 CG TRP A 30 12.705 1.644 -2.143 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.695 0.851 -2.577 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.649 0.748 -1.732 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.356 -0.483 -2.476 1.00 0.00 N ATOM 386 CE2 TRP A 30 12.073 -0.547 -1.945 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.378 1.025 -1.198 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.287 -1.668 -1.653 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.605 -0.106 -0.911 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.018 -1.417 -1.120 1.00 0.00 C ATOM 0 H TRP A 30 10.368 2.370 -3.503 1.00 0.00 H new ATOM 0 HA TRP A 30 11.878 4.892 -2.995 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.699 3.546 -2.146 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.278 3.483 -1.122 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.639 1.211 -2.958 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.940 -1.276 -2.742 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.026 2.031 -1.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.641 -2.673 -1.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.619 0.051 -0.499 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.362 -2.238 -0.872 1.00 0.00 H new ATOM 400 N GLY A 31 13.248 4.510 -5.036 1.00 0.00 N ATOM 401 CA GLY A 31 13.868 4.405 -6.346 1.00 0.00 C ATOM 402 C GLY A 31 12.900 3.799 -7.364 1.00 0.00 C ATOM 403 O GLY A 31 11.833 4.356 -7.620 1.00 0.00 O ATOM 0 H GLY A 31 13.502 5.346 -4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.184 5.392 -6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.764 3.788 -6.280 1.00 0.00 H new ATOM 407 N GLU A 32 13.306 2.666 -7.917 1.00 0.00 N ATOM 408 CA GLU A 32 12.488 1.978 -8.901 1.00 0.00 C ATOM 409 C GLU A 32 11.857 0.726 -8.286 1.00 0.00 C ATOM 410 O GLU A 32 11.774 -0.315 -8.935 1.00 0.00 O ATOM 411 CB GLU A 32 13.306 1.624 -10.144 1.00 0.00 C ATOM 412 CG GLU A 32 13.718 2.885 -10.907 1.00 0.00 C ATOM 413 CD GLU A 32 14.272 2.533 -12.289 1.00 0.00 C ATOM 414 OE1 GLU A 32 15.041 1.551 -12.359 1.00 0.00 O ATOM 415 OE2 GLU A 32 13.913 3.256 -13.244 1.00 0.00 O ATOM 0 H GLU A 32 14.191 2.207 -7.702 1.00 0.00 H new ATOM 0 HA GLU A 32 11.688 2.650 -9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.195 1.065 -9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.721 0.975 -10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.859 3.547 -11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.471 3.429 -10.337 1.00 0.00 H new ATOM 420 N ASN A 33 11.427 0.871 -7.040 1.00 0.00 N ATOM 421 CA ASN A 33 10.807 -0.234 -6.330 1.00 0.00 C ATOM 422 C ASN A 33 9.615 0.287 -5.525 1.00 0.00 C ATOM 423 O ASN A 33 9.732 1.284 -4.813 1.00 0.00 O ATOM 424 CB ASN A 33 11.790 -0.884 -5.354 1.00 0.00 C ATOM 425 CG ASN A 33 13.080 -1.296 -6.067 1.00 0.00 C ATOM 426 OD1 ASN A 33 13.267 -2.437 -6.457 1.00 0.00 O ATOM 427 ND2 ASN A 33 13.956 -0.306 -6.215 1.00 0.00 N ATOM 0 H ASN A 33 11.496 1.737 -6.505 1.00 0.00 H new ATOM 0 HA ASN A 33 10.490 -0.972 -7.067 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.022 -0.187 -4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.328 -1.759 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.848 -0.479 -6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.736 0.626 -5.865 1.00 0.00 H new ATOM 433 N VAL A 34 8.497 -0.410 -5.664 1.00 0.00 N ATOM 434 CA VAL A 34 7.286 -0.029 -4.958 1.00 0.00 C ATOM 435 C VAL A 34 6.896 -1.143 -3.985 1.00 0.00 C ATOM 436 O VAL A 34 7.174 -2.315 -4.234 1.00 0.00 O ATOM 437 CB VAL A 34 6.178 0.303 -5.961 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.798 -0.004 -5.375 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.269 1.761 -6.416 1.00 0.00 C ATOM 0 H VAL A 34 8.404 -1.236 -6.255 1.00 0.00 H new ATOM 0 HA VAL A 34 7.455 0.873 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 34 6.318 -0.330 -6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.029 0.241 -6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.737 -1.063 -5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.644 0.591 -4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.471 1.970 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.167 2.419 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.234 1.934 -6.892 1.00 0.00 H new ATOM 449 N ALA A 35 6.259 -0.738 -2.896 1.00 0.00 N ATOM 450 CA ALA A 35 5.829 -1.688 -1.884 1.00 0.00 C ATOM 451 C ALA A 35 4.300 -1.697 -1.817 1.00 0.00 C ATOM 452 O ALA A 35 3.681 -0.669 -1.549 1.00 0.00 O ATOM 453 CB ALA A 35 6.468 -1.328 -0.542 1.00 0.00 C ATOM 0 H ALA A 35 6.030 0.235 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 35 6.155 -2.696 -2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.146 -2.040 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.553 -1.363 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.161 -0.324 -0.251 1.00 0.00 H new ATOM 459 N LEU A 36 3.736 -2.871 -2.065 1.00 0.00 N ATOM 460 CA LEU A 36 2.292 -3.028 -2.036 1.00 0.00 C ATOM 461 C LEU A 36 1.886 -3.730 -0.739 1.00 0.00 C ATOM 462 O LEU A 36 2.623 -4.573 -0.229 1.00 0.00 O ATOM 463 CB LEU A 36 1.806 -3.740 -3.300 1.00 0.00 C ATOM 464 CG LEU A 36 1.847 -2.919 -4.590 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.900 -3.830 -5.819 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.673 -1.939 -4.654 1.00 0.00 C ATOM 0 H LEU A 36 4.253 -3.722 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 36 1.802 -2.054 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.410 -4.636 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.780 -4.070 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 36 2.762 -2.327 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.928 -3.221 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.794 -4.452 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.015 -4.467 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.726 -1.368 -5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.265 -2.493 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.721 -1.258 -3.805 1.00 0.00 H new ATOM 477 N THR A 37 0.714 -3.358 -0.244 1.00 0.00 N ATOM 478 CA THR A 37 0.201 -3.943 0.983 1.00 0.00 C ATOM 479 C THR A 37 -1.328 -3.978 0.958 1.00 0.00 C ATOM 480 O THR A 37 -1.977 -2.934 0.979 1.00 0.00 O ATOM 481 CB THR A 37 0.772 -3.148 2.160 1.00 0.00 C ATOM 482 OG1 THR A 37 0.811 -1.805 1.684 1.00 0.00 O ATOM 483 CG2 THR A 37 2.237 -3.487 2.440 1.00 0.00 C ATOM 0 H THR A 37 0.106 -2.659 -0.670 1.00 0.00 H new ATOM 0 HA THR A 37 0.517 -4.981 1.089 1.00 0.00 H new ATOM 0 HB THR A 37 0.178 -3.343 3.053 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.373 -1.755 0.809 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.592 -2.896 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.326 -4.547 2.677 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.838 -3.260 1.559 1.00 0.00 H new ATOM 491 N TRP A 38 -1.860 -5.191 0.913 1.00 0.00 N ATOM 492 CA TRP A 38 -3.300 -5.377 0.885 1.00 0.00 C ATOM 493 C TRP A 38 -3.698 -6.182 2.123 1.00 0.00 C ATOM 494 O TRP A 38 -2.906 -6.974 2.634 1.00 0.00 O ATOM 495 CB TRP A 38 -3.743 -6.033 -0.424 1.00 0.00 C ATOM 496 CG TRP A 38 -2.997 -7.326 -0.755 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.384 -8.587 -0.515 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.711 -7.436 -1.399 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.446 -9.497 -0.957 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.395 -8.776 -1.511 1.00 0.00 C ATOM 501 CE3 TRP A 38 -0.840 -6.438 -1.871 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.208 -9.238 -2.092 1.00 0.00 C ATOM 503 CZ3 TRP A 38 0.341 -6.916 -2.450 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.673 -8.260 -2.570 1.00 0.00 C ATOM 0 H TRP A 38 -1.318 -6.055 0.895 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.813 -4.416 0.916 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.811 -6.246 -0.369 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.601 -5.324 -1.240 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.314 -8.857 -0.036 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.512 -10.513 -0.890 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.065 -5.385 -1.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 0.016 -10.292 -2.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.044 -6.189 -2.830 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.606 -8.549 -3.030 1.00 0.00 H new ATOM 514 N THR A 39 -4.924 -5.955 2.570 1.00 0.00 N ATOM 515 CA THR A 39 -5.436 -6.650 3.739 1.00 0.00 C ATOM 516 C THR A 39 -6.175 -7.923 3.320 1.00 0.00 C ATOM 517 O THR A 39 -6.568 -8.064 2.163 1.00 0.00 O ATOM 518 CB THR A 39 -6.308 -5.672 4.526 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.165 -5.099 3.541 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.513 -4.480 5.066 1.00 0.00 C ATOM 0 H THR A 39 -5.578 -5.299 2.144 1.00 0.00 H new ATOM 0 HA THR A 39 -4.626 -6.981 4.390 1.00 0.00 H new ATOM 0 HB THR A 39 -6.783 -6.197 5.355 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.829 -4.526 3.978 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.180 -3.817 5.617 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.727 -4.838 5.731 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.065 -3.935 4.235 1.00 0.00 H new ATOM 528 N PRO A 40 -6.346 -8.839 4.310 1.00 0.00 N ATOM 529 CA PRO A 40 -7.031 -10.095 4.056 1.00 0.00 C ATOM 530 C PRO A 40 -8.542 -9.883 3.944 1.00 0.00 C ATOM 531 O PRO A 40 -9.063 -8.856 4.381 1.00 0.00 O ATOM 532 CB PRO A 40 -6.643 -10.997 5.217 1.00 0.00 C ATOM 533 CG PRO A 40 -6.134 -10.072 6.311 1.00 0.00 C ATOM 534 CD PRO A 40 -5.894 -8.705 5.692 1.00 0.00 C ATOM 0 HA PRO A 40 -6.744 -10.545 3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.498 -11.578 5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.874 -11.709 4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.861 -10.002 7.120 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.213 -10.463 6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.451 -7.929 6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.841 -8.428 5.739 1.00 0.00 H new ATOM 539 N PRO A 41 -9.222 -10.896 3.343 1.00 0.00 N ATOM 540 CA PRO A 41 -10.663 -10.830 3.169 1.00 0.00 C ATOM 541 C PRO A 41 -11.388 -11.083 4.493 1.00 0.00 C ATOM 542 O PRO A 41 -10.924 -11.867 5.319 1.00 0.00 O ATOM 543 CB PRO A 41 -10.980 -11.873 2.110 1.00 0.00 C ATOM 544 CG PRO A 41 -9.777 -12.801 2.067 1.00 0.00 C ATOM 545 CD PRO A 41 -8.640 -12.126 2.816 1.00 0.00 C ATOM 0 HA PRO A 41 -11.003 -9.844 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.888 -12.422 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.148 -11.406 1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.019 -13.760 2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.488 -13.003 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.262 -12.761 3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.800 -11.915 2.154 1.00 0.00 H new ATOM 550 N LYS A 42 -12.514 -10.404 4.653 1.00 0.00 N ATOM 551 CA LYS A 42 -13.308 -10.545 5.862 1.00 0.00 C ATOM 552 C LYS A 42 -14.002 -11.908 5.855 1.00 0.00 C ATOM 553 O LYS A 42 -14.643 -12.288 6.834 1.00 0.00 O ATOM 554 CB LYS A 42 -14.270 -9.366 6.012 1.00 0.00 C ATOM 555 CG LYS A 42 -13.673 -8.280 6.910 1.00 0.00 C ATOM 556 CD LYS A 42 -14.758 -7.610 7.755 1.00 0.00 C ATOM 557 CE LYS A 42 -14.961 -6.154 7.331 1.00 0.00 C ATOM 558 NZ LYS A 42 -15.035 -5.273 8.518 1.00 0.00 N ATOM 0 H LYS A 42 -12.896 -9.754 3.965 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.667 -10.518 6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.494 -8.948 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.213 -9.713 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.917 -8.717 7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.171 -7.532 6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.695 -8.157 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.481 -7.651 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.140 -5.839 6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.877 -6.064 6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.173 -4.289 8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.834 -5.564 9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.151 -5.346 9.060 1.00 0.00 H new ATOM 630 N ILE A 49 -8.336 -19.315 -0.217 1.00 0.00 N ATOM 631 CA ILE A 49 -7.610 -18.265 -0.911 1.00 0.00 C ATOM 632 C ILE A 49 -6.286 -18.826 -1.434 1.00 0.00 C ATOM 633 O ILE A 49 -5.259 -18.731 -0.765 1.00 0.00 O ATOM 634 CB ILE A 49 -7.443 -17.041 -0.008 1.00 0.00 C ATOM 635 CG1 ILE A 49 -8.782 -16.628 0.606 1.00 0.00 C ATOM 636 CG2 ILE A 49 -6.778 -15.888 -0.764 1.00 0.00 C ATOM 637 CD1 ILE A 49 -8.982 -17.278 1.977 1.00 0.00 C ATOM 0 HA ILE A 49 -8.176 -17.920 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.780 -17.310 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.821 -15.543 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.596 -16.917 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.671 -15.031 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.794 -16.201 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.395 -15.610 -1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.941 -16.967 2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.967 -18.363 1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.180 -16.968 2.647 1.00 0.00 H new ATOM 648 N THR A 50 -6.354 -19.400 -2.627 1.00 0.00 N ATOM 649 CA THR A 50 -5.175 -19.977 -3.248 1.00 0.00 C ATOM 650 C THR A 50 -4.009 -18.986 -3.205 1.00 0.00 C ATOM 651 O THR A 50 -2.905 -19.337 -2.794 1.00 0.00 O ATOM 652 CB THR A 50 -5.551 -20.411 -4.666 1.00 0.00 C ATOM 653 OG1 THR A 50 -6.135 -21.699 -4.492 1.00 0.00 O ATOM 654 CG2 THR A 50 -4.325 -20.673 -5.543 1.00 0.00 C ATOM 0 H THR A 50 -7.208 -19.477 -3.179 1.00 0.00 H new ATOM 0 HA THR A 50 -4.833 -20.857 -2.703 1.00 0.00 H new ATOM 0 HB THR A 50 -6.170 -19.642 -5.128 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.410 -22.054 -5.363 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.648 -20.978 -6.538 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.730 -19.763 -5.618 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.722 -21.465 -5.099 1.00 0.00 H new ATOM 662 N GLY A 51 -4.297 -17.765 -3.635 1.00 0.00 N ATOM 663 CA GLY A 51 -3.287 -16.721 -3.651 1.00 0.00 C ATOM 664 C GLY A 51 -3.914 -15.359 -3.959 1.00 0.00 C ATOM 665 O GLY A 51 -4.945 -15.003 -3.392 1.00 0.00 O ATOM 0 H GLY A 51 -5.215 -17.477 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.782 -16.683 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.529 -16.954 -4.399 1.00 0.00 H new ATOM 669 N TYR A 52 -3.261 -14.634 -4.856 1.00 0.00 N ATOM 670 CA TYR A 52 -3.741 -13.319 -5.246 1.00 0.00 C ATOM 671 C TYR A 52 -3.022 -12.823 -6.503 1.00 0.00 C ATOM 672 O TYR A 52 -1.793 -12.832 -6.564 1.00 0.00 O ATOM 673 CB TYR A 52 -3.408 -12.385 -4.080 1.00 0.00 C ATOM 674 CG TYR A 52 -4.430 -12.421 -2.943 1.00 0.00 C ATOM 675 CD1 TYR A 52 -5.617 -11.728 -3.060 1.00 0.00 C ATOM 676 CD2 TYR A 52 -4.164 -13.147 -1.799 1.00 0.00 C ATOM 677 CE1 TYR A 52 -6.579 -11.762 -1.989 1.00 0.00 C ATOM 678 CE2 TYR A 52 -5.127 -13.181 -0.728 1.00 0.00 C ATOM 679 CZ TYR A 52 -6.286 -12.486 -0.876 1.00 0.00 C ATOM 680 OH TYR A 52 -7.195 -12.519 0.135 1.00 0.00 O ATOM 0 H TYR A 52 -2.405 -14.932 -5.323 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.808 -13.350 -5.465 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.428 -12.651 -3.683 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.333 -11.364 -4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.825 -11.160 -3.955 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.234 -13.689 -1.707 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.512 -11.224 -2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.933 -13.746 0.172 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.835 -11.785 0.024 1.00 0.00 H new ATOM 689 N THR A 53 -3.818 -12.402 -7.475 1.00 0.00 N ATOM 690 CA THR A 53 -3.273 -11.904 -8.726 1.00 0.00 C ATOM 691 C THR A 53 -3.153 -10.379 -8.685 1.00 0.00 C ATOM 692 O THR A 53 -4.147 -9.680 -8.498 1.00 0.00 O ATOM 693 CB THR A 53 -4.158 -12.415 -9.864 1.00 0.00 C ATOM 694 OG1 THR A 53 -3.790 -13.784 -10.003 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.793 -11.793 -11.214 1.00 0.00 C ATOM 0 H THR A 53 -4.837 -12.396 -7.421 1.00 0.00 H new ATOM 0 HA THR A 53 -2.261 -12.273 -8.892 1.00 0.00 H new ATOM 0 HB THR A 53 -5.202 -12.201 -9.635 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.758 -14.019 -10.954 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.451 -12.190 -11.987 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.909 -10.711 -11.159 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.759 -12.035 -11.459 1.00 0.00 H new ATOM 703 N ILE A 54 -1.928 -9.909 -8.866 1.00 0.00 N ATOM 704 CA ILE A 54 -1.666 -8.479 -8.853 1.00 0.00 C ATOM 705 C ILE A 54 -1.369 -8.007 -10.277 1.00 0.00 C ATOM 706 O ILE A 54 -0.726 -8.717 -11.049 1.00 0.00 O ATOM 707 CB ILE A 54 -0.558 -8.147 -7.851 1.00 0.00 C ATOM 708 CG1 ILE A 54 -1.011 -8.436 -6.418 1.00 0.00 C ATOM 709 CG2 ILE A 54 -0.080 -6.704 -8.023 1.00 0.00 C ATOM 710 CD1 ILE A 54 -0.040 -9.389 -5.719 1.00 0.00 C ATOM 0 H ILE A 54 -1.106 -10.492 -9.022 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.546 -7.933 -8.513 1.00 0.00 H new ATOM 0 HB ILE A 54 0.295 -8.795 -8.055 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.077 -7.503 -5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.010 -8.872 -6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.707 -6.493 -7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.308 -6.567 -9.032 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.915 -6.022 -7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.384 -9.578 -4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.005 -10.330 -6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.952 -8.939 -5.688 1.00 0.00 H new ATOM 721 N GLN A 55 -1.851 -6.811 -10.582 1.00 0.00 N ATOM 722 CA GLN A 55 -1.646 -6.236 -11.901 1.00 0.00 C ATOM 723 C GLN A 55 -1.374 -4.734 -11.787 1.00 0.00 C ATOM 724 O GLN A 55 -2.037 -4.035 -11.023 1.00 0.00 O ATOM 725 CB GLN A 55 -2.845 -6.508 -12.811 1.00 0.00 C ATOM 726 CG GLN A 55 -3.367 -7.934 -12.619 1.00 0.00 C ATOM 727 CD GLN A 55 -4.010 -8.460 -13.903 1.00 0.00 C ATOM 728 OE1 GLN A 55 -3.786 -7.957 -14.992 1.00 0.00 O ATOM 729 NE2 GLN A 55 -4.821 -9.497 -13.717 1.00 0.00 N ATOM 0 H GLN A 55 -2.383 -6.225 -9.939 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.775 -6.711 -12.352 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.640 -5.794 -12.595 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.557 -6.359 -13.852 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.547 -8.589 -12.324 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.096 -7.952 -11.809 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.965 -9.870 -12.779 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.299 -9.920 -14.513 1.00 0.00 H new ATOM 736 N LYS A 56 -0.397 -4.282 -12.561 1.00 0.00 N ATOM 737 CA LYS A 56 -0.028 -2.877 -12.556 1.00 0.00 C ATOM 738 C LYS A 56 -0.356 -2.265 -13.920 1.00 0.00 C ATOM 739 O LYS A 56 -0.336 -2.957 -14.936 1.00 0.00 O ATOM 740 CB LYS A 56 1.435 -2.707 -12.142 1.00 0.00 C ATOM 741 CG LYS A 56 2.375 -3.019 -13.308 1.00 0.00 C ATOM 742 CD LYS A 56 3.812 -3.215 -12.818 1.00 0.00 C ATOM 743 CE LYS A 56 4.729 -3.638 -13.965 1.00 0.00 C ATOM 744 NZ LYS A 56 5.675 -4.683 -13.514 1.00 0.00 N ATOM 0 H LYS A 56 0.150 -4.864 -13.195 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.610 -2.333 -11.812 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.603 -1.686 -11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.658 -3.367 -11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.036 -3.919 -13.822 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.342 -2.206 -14.034 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.179 -2.288 -12.377 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.832 -3.971 -12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.132 -4.014 -14.796 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.281 -2.774 -14.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.577 -4.576 -14.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.838 -4.586 -12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.275 -5.622 -13.713 1.00 0.00 H new ATOM 754 N ALA A 57 -0.650 -0.973 -13.897 1.00 0.00 N ATOM 755 CA ALA A 57 -0.981 -0.259 -15.118 1.00 0.00 C ATOM 756 C ALA A 57 -0.577 1.209 -14.972 1.00 0.00 C ATOM 757 O ALA A 57 -1.036 1.894 -14.060 1.00 0.00 O ATOM 758 CB ALA A 57 -2.472 -0.426 -15.419 1.00 0.00 C ATOM 0 H ALA A 57 -0.666 -0.402 -13.052 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.429 -0.670 -15.964 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.720 0.110 -16.335 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.702 -1.484 -15.544 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.057 -0.023 -14.593 1.00 0.00 H new ATOM 764 N ASP A 58 0.277 1.648 -15.886 1.00 0.00 N ATOM 765 CA ASP A 58 0.748 3.023 -15.869 1.00 0.00 C ATOM 766 C ASP A 58 -0.427 3.963 -16.147 1.00 0.00 C ATOM 767 O ASP A 58 -1.501 3.518 -16.549 1.00 0.00 O ATOM 768 CB ASP A 58 1.805 3.255 -16.951 1.00 0.00 C ATOM 769 CG ASP A 58 2.660 2.033 -17.292 1.00 0.00 C ATOM 770 OD1 ASP A 58 3.040 1.322 -16.337 1.00 0.00 O ATOM 771 OD2 ASP A 58 2.913 1.838 -18.500 1.00 0.00 O ATOM 0 H ASP A 58 0.654 1.077 -16.642 1.00 0.00 H new ATOM 0 HA ASP A 58 1.184 3.219 -14.890 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.306 3.595 -17.858 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.463 4.062 -16.628 1.00 0.00 H new ATOM 775 N LYS A 59 -0.183 5.246 -15.920 1.00 0.00 N ATOM 776 CA LYS A 59 -1.206 6.253 -16.141 1.00 0.00 C ATOM 777 C LYS A 59 -1.182 6.686 -17.608 1.00 0.00 C ATOM 778 O LYS A 59 -1.832 7.662 -17.982 1.00 0.00 O ATOM 779 CB LYS A 59 -1.040 7.410 -15.154 1.00 0.00 C ATOM 780 CG LYS A 59 -2.235 7.495 -14.201 1.00 0.00 C ATOM 781 CD LYS A 59 -3.290 8.470 -14.731 1.00 0.00 C ATOM 782 CE LYS A 59 -4.459 7.718 -15.370 1.00 0.00 C ATOM 783 NZ LYS A 59 -5.494 8.668 -15.834 1.00 0.00 N ATOM 0 H LYS A 59 0.709 5.611 -15.585 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.196 5.840 -15.948 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.123 7.275 -14.581 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.939 8.347 -15.701 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.677 6.507 -14.077 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.897 7.819 -13.216 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.656 9.094 -13.916 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.838 9.137 -15.465 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.101 7.123 -16.210 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.891 7.024 -14.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.280 8.141 -16.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.848 9.218 -15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.082 9.313 -16.538 1.00 0.00 H new ATOM 793 N LYS A 60 -0.425 5.942 -18.399 1.00 0.00 N ATOM 794 CA LYS A 60 -0.307 6.236 -19.817 1.00 0.00 C ATOM 795 C LYS A 60 -1.571 5.765 -20.539 1.00 0.00 C ATOM 796 O LYS A 60 -2.165 6.514 -21.312 1.00 0.00 O ATOM 797 CB LYS A 60 0.983 5.640 -20.383 1.00 0.00 C ATOM 798 CG LYS A 60 2.208 6.181 -19.642 1.00 0.00 C ATOM 799 CD LYS A 60 2.276 7.706 -19.736 1.00 0.00 C ATOM 800 CE LYS A 60 3.688 8.212 -19.433 1.00 0.00 C ATOM 801 NZ LYS A 60 3.644 9.611 -18.949 1.00 0.00 N ATOM 0 H LYS A 60 0.114 5.135 -18.085 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.230 7.311 -19.977 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.953 4.554 -20.299 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.062 5.876 -21.444 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.167 5.879 -18.595 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.114 5.746 -20.064 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.978 8.026 -20.734 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.569 8.149 -19.035 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.156 7.575 -18.682 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.303 8.151 -20.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.610 9.939 -18.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.217 10.217 -19.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.074 9.660 -18.081 1.00 0.00 H new ATOM 811 N SER A 61 -1.945 4.524 -20.261 1.00 0.00 N ATOM 812 CA SER A 61 -3.127 3.943 -20.874 1.00 0.00 C ATOM 813 C SER A 61 -3.795 2.970 -19.901 1.00 0.00 C ATOM 814 O SER A 61 -4.582 2.119 -20.313 1.00 0.00 O ATOM 815 CB SER A 61 -2.776 3.232 -22.181 1.00 0.00 C ATOM 816 OG SER A 61 -2.801 4.119 -23.296 1.00 0.00 O ATOM 0 H SER A 61 -1.450 3.905 -19.619 1.00 0.00 H new ATOM 0 HA SER A 61 -3.824 4.748 -21.107 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.785 2.785 -22.096 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.480 2.417 -22.350 1.00 0.00 H new ATOM 0 HG SER A 61 -2.608 5.031 -22.993 1.00 0.00 H new ATOM 821 N MET A 62 -3.457 3.126 -18.630 1.00 0.00 N ATOM 822 CA MET A 62 -4.015 2.271 -17.596 1.00 0.00 C ATOM 823 C MET A 62 -4.173 0.835 -18.099 1.00 0.00 C ATOM 824 O MET A 62 -5.228 0.226 -17.928 1.00 0.00 O ATOM 825 CB MET A 62 -5.379 2.814 -17.165 1.00 0.00 C ATOM 826 CG MET A 62 -5.226 4.108 -16.363 1.00 0.00 C ATOM 827 SD MET A 62 -6.109 3.977 -14.818 1.00 0.00 S ATOM 828 CE MET A 62 -5.298 2.549 -14.118 1.00 0.00 C ATOM 0 H MET A 62 -2.803 3.832 -18.292 1.00 0.00 H new ATOM 0 HA MET A 62 -3.332 2.266 -16.747 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.996 2.998 -18.045 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.898 2.068 -16.563 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.171 4.305 -16.173 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.609 4.950 -16.940 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.503 2.502 -13.048 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.673 1.646 -14.599 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.223 2.626 -14.279 1.00 0.00 H new ATOM 836 N GLU A 63 -3.107 0.335 -18.709 1.00 0.00 N ATOM 837 CA GLU A 63 -3.115 -1.019 -19.238 1.00 0.00 C ATOM 838 C GLU A 63 -2.618 -2.005 -18.178 1.00 0.00 C ATOM 839 O GLU A 63 -1.572 -1.789 -17.566 1.00 0.00 O ATOM 840 CB GLU A 63 -2.274 -1.113 -20.512 1.00 0.00 C ATOM 841 CG GLU A 63 -2.661 -0.017 -21.507 1.00 0.00 C ATOM 842 CD GLU A 63 -2.354 -0.447 -22.942 1.00 0.00 C ATOM 843 OE1 GLU A 63 -2.316 -1.675 -23.172 1.00 0.00 O ATOM 844 OE2 GLU A 63 -2.165 0.463 -23.779 1.00 0.00 O ATOM 0 H GLU A 63 -2.233 0.843 -18.848 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.140 -1.282 -19.498 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.217 -1.025 -20.261 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.412 -2.092 -20.972 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.723 0.208 -21.410 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.118 0.899 -21.274 1.00 0.00 H new ATOM 849 N TRP A 64 -3.390 -3.065 -17.994 1.00 0.00 N ATOM 850 CA TRP A 64 -3.042 -4.085 -17.020 1.00 0.00 C ATOM 851 C TRP A 64 -2.525 -5.308 -17.779 1.00 0.00 C ATOM 852 O TRP A 64 -3.165 -5.775 -18.720 1.00 0.00 O ATOM 853 CB TRP A 64 -4.231 -4.405 -16.111 1.00 0.00 C ATOM 854 CG TRP A 64 -5.000 -3.171 -15.634 1.00 0.00 C ATOM 855 CD1 TRP A 64 -6.037 -2.563 -16.228 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.749 -2.413 -14.432 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.470 -1.475 -15.499 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.661 -1.380 -14.373 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.782 -2.595 -13.427 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.698 -0.448 -13.329 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -3.831 -1.654 -12.391 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.744 -0.609 -12.317 1.00 0.00 C ATOM 0 H TRP A 64 -4.256 -3.240 -18.503 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.255 -3.729 -16.355 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.916 -5.063 -16.645 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.872 -4.956 -15.241 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.478 -2.885 -17.160 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.242 -0.854 -15.742 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.059 -3.397 -13.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.423 0.352 -13.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.109 -1.747 -11.594 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.718 0.076 -11.482 1.00 0.00 H new ATOM 872 N PHE A 65 -1.371 -5.792 -17.342 1.00 0.00 N ATOM 873 CA PHE A 65 -0.760 -6.951 -17.970 1.00 0.00 C ATOM 874 C PHE A 65 -0.196 -7.910 -16.919 1.00 0.00 C ATOM 875 O PHE A 65 0.917 -8.411 -17.064 1.00 0.00 O ATOM 876 CB PHE A 65 0.387 -6.436 -18.841 1.00 0.00 C ATOM 877 CG PHE A 65 -0.025 -6.093 -20.274 1.00 0.00 C ATOM 878 CD1 PHE A 65 -0.822 -5.017 -20.513 1.00 0.00 C ATOM 879 CD2 PHE A 65 0.404 -6.866 -21.308 1.00 0.00 C ATOM 880 CE1 PHE A 65 -1.204 -4.700 -21.844 1.00 0.00 C ATOM 881 CE2 PHE A 65 0.022 -6.548 -22.638 1.00 0.00 C ATOM 882 CZ PHE A 65 -0.774 -5.471 -22.878 1.00 0.00 C ATOM 0 H PHE A 65 -0.843 -5.402 -16.561 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.503 -7.492 -18.555 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.814 -5.548 -18.374 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.174 -7.190 -18.871 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.164 -4.404 -19.692 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.035 -7.721 -21.117 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.837 -3.846 -22.035 1.00 0.00 H new ATOM 0 HE2 PHE A 65 0.363 -7.161 -23.459 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.064 -5.229 -23.890 1.00 0.00 H new ATOM 891 N THR A 66 -0.991 -8.135 -15.883 1.00 0.00 N ATOM 892 CA THR A 66 -0.585 -9.024 -14.808 1.00 0.00 C ATOM 893 C THR A 66 0.755 -8.575 -14.222 1.00 0.00 C ATOM 894 O THR A 66 1.448 -7.746 -14.809 1.00 0.00 O ATOM 895 CB THR A 66 -0.559 -10.451 -15.359 1.00 0.00 C ATOM 896 OG1 THR A 66 -1.934 -10.788 -15.517 1.00 0.00 O ATOM 897 CG2 THR A 66 -0.042 -11.465 -14.336 1.00 0.00 C ATOM 0 H THR A 66 -1.914 -7.717 -15.765 1.00 0.00 H new ATOM 0 HA THR A 66 -1.293 -8.992 -13.980 1.00 0.00 H new ATOM 0 HB THR A 66 0.067 -10.484 -16.251 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.009 -11.698 -15.872 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.044 -12.461 -14.778 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.974 -11.200 -14.043 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.687 -11.457 -13.457 1.00 0.00 H new ATOM 905 N VAL A 67 1.080 -9.142 -13.070 1.00 0.00 N ATOM 906 CA VAL A 67 2.325 -8.811 -12.397 1.00 0.00 C ATOM 907 C VAL A 67 2.790 -10.013 -11.573 1.00 0.00 C ATOM 908 O VAL A 67 3.968 -10.369 -11.599 1.00 0.00 O ATOM 909 CB VAL A 67 2.144 -7.544 -11.557 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.127 -7.519 -10.384 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.288 -6.290 -12.420 1.00 0.00 C ATOM 0 H VAL A 67 0.503 -9.829 -12.585 1.00 0.00 H new ATOM 0 HA VAL A 67 3.107 -8.594 -13.125 1.00 0.00 H new ATOM 0 HB VAL A 67 1.134 -7.554 -11.147 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.978 -6.609 -9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.956 -8.387 -9.748 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.148 -7.543 -10.764 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.155 -5.404 -11.799 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.280 -6.271 -12.872 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.532 -6.300 -13.205 1.00 0.00 H new ATOM 921 N ILE A 68 1.843 -10.605 -10.861 1.00 0.00 N ATOM 922 CA ILE A 68 2.141 -11.760 -10.031 1.00 0.00 C ATOM 923 C ILE A 68 0.930 -12.694 -10.010 1.00 0.00 C ATOM 924 O ILE A 68 -0.210 -12.241 -10.105 1.00 0.00 O ATOM 925 CB ILE A 68 2.599 -11.315 -8.641 1.00 0.00 C ATOM 926 CG1 ILE A 68 3.775 -12.166 -8.153 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.434 -11.328 -7.649 1.00 0.00 C ATOM 928 CD1 ILE A 68 4.734 -11.336 -7.296 1.00 0.00 C ATOM 0 H ILE A 68 0.868 -10.306 -10.842 1.00 0.00 H new ATOM 0 HA ILE A 68 2.973 -12.327 -10.450 1.00 0.00 H new ATOM 0 HB ILE A 68 2.951 -10.286 -8.711 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.402 -13.010 -7.574 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.310 -12.578 -9.009 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.787 -11.008 -6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.655 -10.648 -7.994 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.029 -12.337 -7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.560 -11.964 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.124 -10.507 -7.886 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.202 -10.946 -6.429 1.00 0.00 H new ATOM 939 N GLU A 69 1.218 -13.981 -9.886 1.00 0.00 N ATOM 940 CA GLU A 69 0.167 -14.983 -9.851 1.00 0.00 C ATOM 941 C GLU A 69 0.548 -16.121 -8.901 1.00 0.00 C ATOM 942 O GLU A 69 1.681 -16.597 -8.922 1.00 0.00 O ATOM 943 CB GLU A 69 -0.130 -15.517 -11.254 1.00 0.00 C ATOM 944 CG GLU A 69 -0.382 -14.370 -12.234 1.00 0.00 C ATOM 945 CD GLU A 69 -1.156 -14.858 -13.461 1.00 0.00 C ATOM 946 OE1 GLU A 69 -0.555 -15.630 -14.240 1.00 0.00 O ATOM 947 OE2 GLU A 69 -2.329 -14.447 -13.593 1.00 0.00 O ATOM 0 H GLU A 69 2.165 -14.353 -9.808 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.742 -14.513 -9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.708 -16.120 -11.602 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.002 -16.171 -11.221 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.943 -13.579 -11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.569 -13.939 -12.547 1.00 0.00 H new ATOM 952 N HIS A 70 -0.420 -16.523 -8.092 1.00 0.00 N ATOM 953 CA HIS A 70 -0.200 -17.594 -7.136 1.00 0.00 C ATOM 954 C HIS A 70 0.698 -17.096 -6.002 1.00 0.00 C ATOM 955 O HIS A 70 1.796 -17.612 -5.803 1.00 0.00 O ATOM 956 CB HIS A 70 0.359 -18.837 -7.833 1.00 0.00 C ATOM 957 CG HIS A 70 -0.368 -19.210 -9.102 1.00 0.00 C ATOM 958 ND1 HIS A 70 -1.260 -20.266 -9.173 1.00 0.00 N ATOM 959 CD2 HIS A 70 -0.328 -18.656 -10.347 1.00 0.00 C ATOM 960 CE1 HIS A 70 -1.728 -20.336 -10.410 1.00 0.00 C ATOM 961 NE2 HIS A 70 -1.150 -19.337 -11.137 1.00 0.00 N ATOM 0 H HIS A 70 -1.359 -16.126 -8.079 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.151 -17.892 -6.694 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.411 -18.668 -8.065 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.316 -19.679 -7.142 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.271 -17.807 -10.641 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.442 -21.058 -10.779 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.321 -19.145 -12.124 1.00 0.00 H new ATOM 968 N TYR A 71 0.198 -16.097 -5.289 1.00 0.00 N ATOM 969 CA TYR A 71 0.941 -15.522 -4.182 1.00 0.00 C ATOM 970 C TYR A 71 0.270 -15.847 -2.845 1.00 0.00 C ATOM 971 O TYR A 71 -0.906 -15.545 -2.647 1.00 0.00 O ATOM 972 CB TYR A 71 0.916 -14.008 -4.397 1.00 0.00 C ATOM 973 CG TYR A 71 2.133 -13.278 -3.827 1.00 0.00 C ATOM 974 CD1 TYR A 71 2.986 -13.931 -2.960 1.00 0.00 C ATOM 975 CD2 TYR A 71 2.380 -11.967 -4.181 1.00 0.00 C ATOM 976 CE1 TYR A 71 4.133 -13.244 -2.424 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.526 -11.280 -3.645 1.00 0.00 C ATOM 978 CZ TYR A 71 4.346 -11.952 -2.793 1.00 0.00 C ATOM 979 OH TYR A 71 5.429 -11.303 -2.286 1.00 0.00 O ATOM 0 H TYR A 71 -0.714 -15.671 -5.457 1.00 0.00 H new ATOM 0 HA TYR A 71 1.954 -15.922 -4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.851 -13.804 -5.466 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.014 -13.601 -3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.793 -14.957 -2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.713 -11.456 -4.860 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.808 -13.743 -1.745 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.730 -10.254 -3.913 1.00 0.00 H new ATOM 0 HH TYR A 71 5.244 -10.341 -2.245 1.00 0.00 H new ATOM 988 N HIS A 72 1.047 -16.456 -1.961 1.00 0.00 N ATOM 989 CA HIS A 72 0.543 -16.824 -0.650 1.00 0.00 C ATOM 990 C HIS A 72 0.578 -15.605 0.274 1.00 0.00 C ATOM 991 O HIS A 72 -0.358 -15.374 1.039 1.00 0.00 O ATOM 992 CB HIS A 72 1.317 -18.018 -0.086 1.00 0.00 C ATOM 993 CG HIS A 72 0.642 -18.688 1.087 1.00 0.00 C ATOM 994 ND1 HIS A 72 1.115 -19.858 1.656 1.00 0.00 N ATOM 995 CD2 HIS A 72 -0.472 -18.339 1.793 1.00 0.00 C ATOM 996 CE1 HIS A 72 0.313 -20.190 2.657 1.00 0.00 C ATOM 997 NE2 HIS A 72 -0.669 -19.247 2.741 1.00 0.00 N ATOM 0 H HIS A 72 2.022 -16.704 -2.128 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.496 -17.144 -0.732 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.459 -18.753 -0.878 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.308 -17.684 0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.089 -17.471 1.611 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.418 -21.055 3.295 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.430 -19.241 3.421 1.00 0.00 H new ATOM 1004 N ARG A 73 1.668 -14.858 0.173 1.00 0.00 N ATOM 1005 CA ARG A 73 1.837 -13.668 0.990 1.00 0.00 C ATOM 1006 C ARG A 73 0.729 -12.656 0.690 1.00 0.00 C ATOM 1007 O ARG A 73 -0.264 -12.991 0.047 1.00 0.00 O ATOM 1008 CB ARG A 73 3.197 -13.015 0.737 1.00 0.00 C ATOM 1009 CG ARG A 73 4.097 -13.126 1.969 1.00 0.00 C ATOM 1010 CD ARG A 73 4.513 -14.577 2.215 1.00 0.00 C ATOM 1011 NE ARG A 73 5.922 -14.775 1.807 1.00 0.00 N ATOM 1012 CZ ARG A 73 6.624 -15.892 2.046 1.00 0.00 C ATOM 1013 NH1 ARG A 73 6.052 -16.917 2.693 1.00 0.00 N ATOM 1014 NH2 ARG A 73 7.897 -15.983 1.639 1.00 0.00 N ATOM 0 H ARG A 73 2.442 -15.054 -0.462 1.00 0.00 H new ATOM 0 HA ARG A 73 1.782 -13.973 2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.681 -13.493 -0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.058 -11.966 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.984 -12.508 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.572 -12.741 2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.393 -14.825 3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.865 -15.250 1.654 1.00 0.00 H new ATOM 0 HE ARG A 73 6.388 -14.014 1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.083 -16.847 3.003 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.586 -17.767 2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.332 -15.202 1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.431 -16.833 1.821 1.00 0.00 H new ATOM 1025 N THR A 74 0.938 -11.439 1.171 1.00 0.00 N ATOM 1026 CA THR A 74 -0.031 -10.376 0.962 1.00 0.00 C ATOM 1027 C THR A 74 0.680 -9.072 0.594 1.00 0.00 C ATOM 1028 O THR A 74 0.105 -7.991 0.720 1.00 0.00 O ATOM 1029 CB THR A 74 -0.890 -10.265 2.224 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.032 -10.471 3.291 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.883 -11.421 2.361 1.00 0.00 C ATOM 0 H THR A 74 1.763 -11.166 1.704 1.00 0.00 H new ATOM 0 HA THR A 74 -0.689 -10.599 0.122 1.00 0.00 H new ATOM 0 HB THR A 74 -1.433 -9.320 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.441 -10.414 4.148 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.467 -11.293 3.273 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.552 -11.430 1.500 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.339 -12.364 2.408 1.00 0.00 H new ATOM 1039 N SER A 75 1.918 -9.216 0.146 1.00 0.00 N ATOM 1040 CA SER A 75 2.713 -8.064 -0.243 1.00 0.00 C ATOM 1041 C SER A 75 3.486 -8.369 -1.526 1.00 0.00 C ATOM 1042 O SER A 75 3.770 -9.528 -1.822 1.00 0.00 O ATOM 1043 CB SER A 75 3.676 -7.657 0.875 1.00 0.00 C ATOM 1044 OG SER A 75 4.185 -8.788 1.577 1.00 0.00 O ATOM 0 H SER A 75 2.391 -10.114 0.044 1.00 0.00 H new ATOM 0 HA SER A 75 2.037 -7.228 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.505 -7.090 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.162 -6.997 1.574 1.00 0.00 H new ATOM 0 HG SER A 75 4.797 -8.488 2.281 1.00 0.00 H new ATOM 1049 N ALA A 76 3.805 -7.309 -2.254 1.00 0.00 N ATOM 1050 CA ALA A 76 4.542 -7.449 -3.499 1.00 0.00 C ATOM 1051 C ALA A 76 5.528 -6.289 -3.637 1.00 0.00 C ATOM 1052 O ALA A 76 5.392 -5.270 -2.961 1.00 0.00 O ATOM 1053 CB ALA A 76 3.557 -7.521 -4.668 1.00 0.00 C ATOM 0 H ALA A 76 3.567 -6.349 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 76 5.120 -8.373 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.108 -7.626 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.899 -8.380 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.961 -6.609 -4.699 1.00 0.00 H new ATOM 1059 N THR A 77 6.499 -6.481 -4.518 1.00 0.00 N ATOM 1060 CA THR A 77 7.507 -5.462 -4.754 1.00 0.00 C ATOM 1061 C THR A 77 7.702 -5.241 -6.255 1.00 0.00 C ATOM 1062 O THR A 77 8.360 -6.036 -6.923 1.00 0.00 O ATOM 1063 CB THR A 77 8.787 -5.889 -4.032 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.418 -5.915 -2.656 1.00 0.00 O ATOM 1065 CG2 THR A 77 9.883 -4.823 -4.104 1.00 0.00 C ATOM 0 H THR A 77 6.609 -7.327 -5.077 1.00 0.00 H new ATOM 0 HA THR A 77 7.195 -4.497 -4.354 1.00 0.00 H new ATOM 0 HB THR A 77 9.155 -6.819 -4.466 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.190 -6.184 -2.115 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.769 -5.176 -3.576 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.134 -4.630 -5.147 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.527 -3.903 -3.640 1.00 0.00 H new ATOM 1073 N ILE A 78 7.116 -4.156 -6.742 1.00 0.00 N ATOM 1074 CA ILE A 78 7.216 -3.821 -8.152 1.00 0.00 C ATOM 1075 C ILE A 78 8.621 -3.295 -8.448 1.00 0.00 C ATOM 1076 O ILE A 78 9.325 -2.849 -7.543 1.00 0.00 O ATOM 1077 CB ILE A 78 6.100 -2.853 -8.552 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.742 -3.342 -8.047 1.00 0.00 C ATOM 1079 CG2 ILE A 78 6.098 -2.614 -10.064 1.00 0.00 C ATOM 1080 CD1 ILE A 78 4.149 -4.389 -8.993 1.00 0.00 C ATOM 0 H ILE A 78 6.571 -3.498 -6.185 1.00 0.00 H new ATOM 0 HA ILE A 78 7.072 -4.710 -8.766 1.00 0.00 H new ATOM 0 HB ILE A 78 6.293 -1.893 -8.074 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.853 -3.769 -7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.058 -2.498 -7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.296 -1.923 -10.322 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.055 -2.188 -10.366 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.942 -3.560 -10.582 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.183 -4.720 -8.610 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.017 -3.952 -9.983 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.824 -5.242 -9.061 1.00 0.00 H new ATOM 1091 N THR A 79 8.989 -3.365 -9.719 1.00 0.00 N ATOM 1092 CA THR A 79 10.299 -2.902 -10.146 1.00 0.00 C ATOM 1093 C THR A 79 10.194 -2.165 -11.483 1.00 0.00 C ATOM 1094 O THR A 79 9.094 -1.907 -11.969 1.00 0.00 O ATOM 1095 CB THR A 79 11.237 -4.111 -10.190 1.00 0.00 C ATOM 1096 OG1 THR A 79 10.440 -5.146 -10.759 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.585 -4.632 -8.795 1.00 0.00 C ATOM 0 H THR A 79 8.403 -3.735 -10.467 1.00 0.00 H new ATOM 0 HA THR A 79 10.711 -2.178 -9.443 1.00 0.00 H new ATOM 0 HB THR A 79 12.153 -3.842 -10.715 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.970 -5.967 -10.826 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.252 -5.489 -8.883 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.079 -3.845 -8.225 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.672 -4.934 -8.281 1.00 0.00 H new ATOM 1105 N GLU A 80 11.354 -1.846 -12.038 1.00 0.00 N ATOM 1106 CA GLU A 80 11.407 -1.143 -13.308 1.00 0.00 C ATOM 1107 C GLU A 80 10.305 -0.084 -13.376 1.00 0.00 C ATOM 1108 O GLU A 80 9.271 -0.298 -14.007 1.00 0.00 O ATOM 1109 CB GLU A 80 11.299 -2.121 -14.481 1.00 0.00 C ATOM 1110 CG GLU A 80 12.622 -2.857 -14.704 1.00 0.00 C ATOM 1111 CD GLU A 80 12.595 -3.649 -16.012 1.00 0.00 C ATOM 1112 OE1 GLU A 80 12.054 -4.776 -15.983 1.00 0.00 O ATOM 1113 OE2 GLU A 80 13.115 -3.110 -17.013 1.00 0.00 O ATOM 0 H GLU A 80 12.264 -2.062 -11.631 1.00 0.00 H new ATOM 0 HA GLU A 80 12.372 -0.641 -13.382 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.506 -2.843 -14.286 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.022 -1.580 -15.386 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.442 -2.139 -14.726 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.812 -3.532 -13.870 1.00 0.00 H new ATOM 1118 N LEU A 81 10.564 1.036 -12.717 1.00 0.00 N ATOM 1119 CA LEU A 81 9.607 2.129 -12.693 1.00 0.00 C ATOM 1120 C LEU A 81 10.318 3.431 -13.066 1.00 0.00 C ATOM 1121 O LEU A 81 11.502 3.602 -12.776 1.00 0.00 O ATOM 1122 CB LEU A 81 8.889 2.184 -11.343 1.00 0.00 C ATOM 1123 CG LEU A 81 8.009 0.980 -11.002 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.626 0.983 -9.521 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.779 0.925 -11.911 1.00 0.00 C ATOM 0 H LEU A 81 11.423 1.210 -12.196 1.00 0.00 H new ATOM 0 HA LEU A 81 8.826 1.968 -13.436 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.639 2.295 -10.559 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.269 3.080 -11.320 1.00 0.00 H new ATOM 0 HG LEU A 81 8.586 0.073 -11.184 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.001 0.117 -9.305 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.529 0.940 -8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.075 1.895 -9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.170 0.060 -11.648 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.192 1.834 -11.784 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.098 0.842 -12.950 1.00 0.00 H new ATOM 1136 N VAL A 82 9.565 4.318 -13.701 1.00 0.00 N ATOM 1137 CA VAL A 82 10.109 5.600 -14.116 1.00 0.00 C ATOM 1138 C VAL A 82 9.989 6.598 -12.963 1.00 0.00 C ATOM 1139 O VAL A 82 8.939 6.694 -12.329 1.00 0.00 O ATOM 1140 CB VAL A 82 9.412 6.075 -15.393 1.00 0.00 C ATOM 1141 CG1 VAL A 82 7.898 5.888 -15.293 1.00 0.00 C ATOM 1142 CG2 VAL A 82 9.766 7.531 -15.701 1.00 0.00 C ATOM 0 H VAL A 82 8.583 4.174 -13.938 1.00 0.00 H new ATOM 0 HA VAL A 82 11.168 5.506 -14.355 1.00 0.00 H new ATOM 0 HB VAL A 82 9.771 5.461 -16.219 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.427 6.233 -16.213 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.671 4.833 -15.143 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.515 6.465 -14.451 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.258 7.844 -16.613 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.449 8.165 -14.873 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.844 7.623 -15.836 1.00 0.00 H new ATOM 1152 N ILE A 83 11.077 7.314 -12.725 1.00 0.00 N ATOM 1153 CA ILE A 83 11.107 8.300 -11.660 1.00 0.00 C ATOM 1154 C ILE A 83 10.419 9.581 -12.136 1.00 0.00 C ATOM 1155 O ILE A 83 10.845 10.191 -13.116 1.00 0.00 O ATOM 1156 CB ILE A 83 12.540 8.518 -11.170 1.00 0.00 C ATOM 1157 CG1 ILE A 83 13.099 7.247 -10.526 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.621 9.721 -10.228 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.574 7.421 -10.160 1.00 0.00 C ATOM 0 H ILE A 83 11.946 7.230 -13.253 1.00 0.00 H new ATOM 0 HA ILE A 83 10.550 7.941 -10.795 1.00 0.00 H new ATOM 0 HB ILE A 83 13.165 8.743 -12.034 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.525 7.005 -9.632 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.988 6.408 -11.213 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.650 9.853 -9.895 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.292 10.617 -10.753 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.979 9.550 -9.364 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.946 6.504 -9.704 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.149 7.638 -11.060 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.679 8.245 -9.454 1.00 0.00 H new ATOM 1170 N GLY A 84 9.366 9.951 -11.422 1.00 0.00 N ATOM 1171 CA GLY A 84 8.615 11.147 -11.760 1.00 0.00 C ATOM 1172 C GLY A 84 7.267 10.790 -12.388 1.00 0.00 C ATOM 1173 O GLY A 84 6.547 11.667 -12.864 1.00 0.00 O ATOM 0 H GLY A 84 9.015 9.443 -10.610 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.455 11.746 -10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.192 11.759 -12.453 1.00 0.00 H new ATOM 1177 N ASN A 85 6.965 9.500 -12.370 1.00 0.00 N ATOM 1178 CA ASN A 85 5.716 9.015 -12.931 1.00 0.00 C ATOM 1179 C ASN A 85 4.917 8.295 -11.842 1.00 0.00 C ATOM 1180 O ASN A 85 5.447 7.999 -10.773 1.00 0.00 O ATOM 1181 CB ASN A 85 5.972 8.021 -14.066 1.00 0.00 C ATOM 1182 CG ASN A 85 5.468 8.572 -15.401 1.00 0.00 C ATOM 1183 OD1 ASN A 85 4.281 8.755 -15.620 1.00 0.00 O ATOM 1184 ND2 ASN A 85 6.434 8.827 -16.280 1.00 0.00 N ATOM 0 H ASN A 85 7.565 8.775 -11.975 1.00 0.00 H new ATOM 0 HA ASN A 85 5.165 9.872 -13.319 1.00 0.00 H new ATOM 0 HB2 ASN A 85 7.039 7.810 -14.135 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.474 7.077 -13.847 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.201 9.198 -17.201 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.408 8.651 -16.033 1.00 0.00 H new ATOM 1190 N GLU A 86 3.657 8.035 -12.153 1.00 0.00 N ATOM 1191 CA GLU A 86 2.779 7.354 -11.215 1.00 0.00 C ATOM 1192 C GLU A 86 2.450 5.948 -11.720 1.00 0.00 C ATOM 1193 O GLU A 86 2.722 5.619 -12.873 1.00 0.00 O ATOM 1194 CB GLU A 86 1.504 8.163 -10.972 1.00 0.00 C ATOM 1195 CG GLU A 86 0.565 8.082 -12.177 1.00 0.00 C ATOM 1196 CD GLU A 86 0.326 9.468 -12.779 1.00 0.00 C ATOM 1197 OE1 GLU A 86 1.335 10.125 -13.113 1.00 0.00 O ATOM 1198 OE2 GLU A 86 -0.863 9.839 -12.893 1.00 0.00 O ATOM 0 H GLU A 86 3.222 8.283 -13.041 1.00 0.00 H new ATOM 0 HA GLU A 86 3.299 7.263 -10.261 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.995 7.788 -10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.761 9.204 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.992 7.422 -12.932 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.386 7.645 -11.873 1.00 0.00 H new ATOM 1203 N TYR A 87 1.866 5.158 -10.832 1.00 0.00 N ATOM 1204 CA TYR A 87 1.495 3.794 -11.174 1.00 0.00 C ATOM 1205 C TYR A 87 0.310 3.321 -10.330 1.00 0.00 C ATOM 1206 O TYR A 87 0.165 3.722 -9.176 1.00 0.00 O ATOM 1207 CB TYR A 87 2.716 2.932 -10.847 1.00 0.00 C ATOM 1208 CG TYR A 87 3.828 3.004 -11.895 1.00 0.00 C ATOM 1209 CD1 TYR A 87 3.743 2.247 -13.046 1.00 0.00 C ATOM 1210 CD2 TYR A 87 4.917 3.826 -11.689 1.00 0.00 C ATOM 1211 CE1 TYR A 87 4.790 2.315 -14.032 1.00 0.00 C ATOM 1212 CE2 TYR A 87 5.964 3.895 -12.676 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.849 3.136 -13.798 1.00 0.00 C ATOM 1214 OH TYR A 87 6.837 3.201 -14.730 1.00 0.00 O ATOM 0 H TYR A 87 1.640 5.435 -9.877 1.00 0.00 H new ATOM 0 HA TYR A 87 1.203 3.726 -12.222 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.119 3.242 -9.883 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.398 1.895 -10.741 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.891 1.603 -13.207 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.984 4.418 -10.788 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.736 1.728 -14.937 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.821 4.535 -12.528 1.00 0.00 H new ATOM 0 HH TYR A 87 6.460 3.033 -15.619 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.507 2.473 -10.938 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.675 1.941 -10.257 1.00 0.00 C ATOM 1225 C TYR A 88 -1.607 0.415 -10.165 1.00 0.00 C ATOM 1226 O TYR A 88 -1.236 -0.253 -11.128 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.879 2.335 -11.115 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.294 3.799 -10.969 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.368 4.375 -9.717 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.595 4.546 -12.090 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -3.759 5.754 -9.580 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -3.986 5.925 -11.953 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.049 6.461 -10.703 1.00 0.00 C ATOM 1234 OH TYR A 88 -4.418 7.763 -10.575 1.00 0.00 O ATOM 0 H TYR A 88 -0.383 2.141 -11.895 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.739 2.332 -9.242 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.647 2.136 -12.161 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.724 1.700 -10.850 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.133 3.791 -8.840 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.537 4.096 -13.070 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.820 6.216 -8.606 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.224 6.521 -12.822 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.594 8.142 -11.462 1.00 0.00 H new ATOM 1243 N PHE A 89 -1.972 -0.092 -8.996 1.00 0.00 N ATOM 1244 CA PHE A 89 -1.957 -1.526 -8.765 1.00 0.00 C ATOM 1245 C PHE A 89 -3.289 -2.001 -8.179 1.00 0.00 C ATOM 1246 O PHE A 89 -4.043 -1.207 -7.619 1.00 0.00 O ATOM 1247 CB PHE A 89 -0.842 -1.805 -7.755 1.00 0.00 C ATOM 1248 CG PHE A 89 0.468 -1.075 -8.058 1.00 0.00 C ATOM 1249 CD1 PHE A 89 0.680 0.174 -7.564 1.00 0.00 C ATOM 1250 CD2 PHE A 89 1.421 -1.675 -8.820 1.00 0.00 C ATOM 1251 CE1 PHE A 89 1.896 0.853 -7.845 1.00 0.00 C ATOM 1252 CE2 PHE A 89 2.637 -0.998 -9.101 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.848 0.253 -8.607 1.00 0.00 C ATOM 0 H PHE A 89 -2.280 0.465 -8.199 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.795 -2.052 -9.706 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.185 -1.517 -6.761 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.650 -2.878 -7.728 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.076 0.650 -6.958 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.253 -2.667 -9.212 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.064 1.845 -7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.394 -1.475 -9.706 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.772 0.769 -8.821 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.538 -3.294 -8.330 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.765 -3.883 -7.823 1.00 0.00 C ATOM 1264 C ARG A 90 -4.554 -5.369 -7.519 1.00 0.00 C ATOM 1265 O ARG A 90 -3.833 -6.057 -8.239 1.00 0.00 O ATOM 1266 CB ARG A 90 -5.905 -3.734 -8.832 1.00 0.00 C ATOM 1267 CG ARG A 90 -5.651 -4.588 -10.078 1.00 0.00 C ATOM 1268 CD ARG A 90 -5.718 -3.738 -11.347 1.00 0.00 C ATOM 1269 NE ARG A 90 -7.066 -3.838 -11.953 1.00 0.00 N ATOM 1270 CZ ARG A 90 -7.386 -4.693 -12.934 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -6.460 -5.526 -13.426 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -8.634 -4.715 -13.422 1.00 0.00 N ATOM 0 H ARG A 90 -2.911 -3.950 -8.796 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.033 -3.355 -6.908 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.846 -4.031 -8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.007 -2.687 -9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.672 -5.062 -10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.390 -5.388 -10.132 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.493 -2.698 -11.110 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.964 -4.073 -12.059 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.796 -3.218 -11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.510 -5.510 -13.054 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.704 -6.177 -14.173 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.340 -4.081 -13.047 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.878 -5.366 -14.169 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.196 -5.817 -6.450 1.00 0.00 N ATOM 1284 CA VAL A 91 -5.088 -7.207 -6.041 1.00 0.00 C ATOM 1285 C VAL A 91 -6.376 -7.945 -6.412 1.00 0.00 C ATOM 1286 O VAL A 91 -7.464 -7.377 -6.337 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.760 -7.290 -4.549 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.818 -8.736 -4.054 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.397 -6.663 -4.252 1.00 0.00 C ATOM 0 H VAL A 91 -5.793 -5.242 -5.855 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.269 -7.697 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.516 -6.721 -4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.581 -8.766 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.819 -9.135 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.095 -9.338 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.188 -6.735 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.624 -7.192 -4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.406 -5.615 -4.550 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.209 -9.200 -6.805 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.345 -10.021 -7.188 1.00 0.00 C ATOM 1301 C PHE A 92 -7.418 -11.287 -6.333 1.00 0.00 C ATOM 1302 O PHE A 92 -6.390 -11.869 -5.988 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.136 -10.418 -8.651 1.00 0.00 C ATOM 1304 CG PHE A 92 -7.562 -9.344 -9.654 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -8.874 -9.203 -9.982 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -6.628 -8.532 -10.217 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -9.268 -8.205 -10.914 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -7.023 -7.535 -11.148 1.00 0.00 C ATOM 1309 CZ PHE A 92 -8.335 -7.393 -11.477 1.00 0.00 C ATOM 0 H PHE A 92 -5.305 -9.668 -6.866 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.272 -9.465 -7.046 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.082 -10.649 -8.807 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.696 -11.331 -8.853 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.616 -9.848 -9.535 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.586 -8.645 -9.956 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.310 -8.092 -11.175 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.281 -6.889 -11.595 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.635 -6.635 -12.185 1.00 0.00 H new ATOM 1318 N SER A 93 -8.643 -11.678 -6.016 1.00 0.00 N ATOM 1319 CA SER A 93 -8.865 -12.866 -5.207 1.00 0.00 C ATOM 1320 C SER A 93 -8.902 -14.108 -6.101 1.00 0.00 C ATOM 1321 O SER A 93 -9.681 -14.170 -7.050 1.00 0.00 O ATOM 1322 CB SER A 93 -10.161 -12.751 -4.404 1.00 0.00 C ATOM 1323 OG SER A 93 -11.090 -11.857 -5.012 1.00 0.00 O ATOM 0 H SER A 93 -9.493 -11.194 -6.304 1.00 0.00 H new ATOM 0 HA SER A 93 -8.040 -12.959 -4.501 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.616 -13.737 -4.308 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.933 -12.406 -3.396 1.00 0.00 H new ATOM 0 HG SER A 93 -11.976 -12.274 -5.038 1.00 0.00 H new ATOM 1328 N GLU A 94 -8.050 -15.065 -5.765 1.00 0.00 N ATOM 1329 CA GLU A 94 -7.975 -16.301 -6.524 1.00 0.00 C ATOM 1330 C GLU A 94 -8.310 -17.495 -5.629 1.00 0.00 C ATOM 1331 O GLU A 94 -8.193 -17.412 -4.407 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.597 -16.468 -7.167 1.00 0.00 C ATOM 1333 CG GLU A 94 -6.658 -16.199 -8.673 1.00 0.00 C ATOM 1334 CD GLU A 94 -6.753 -17.508 -9.459 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -7.660 -18.303 -9.132 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -5.915 -17.685 -10.371 1.00 0.00 O ATOM 0 H GLU A 94 -7.405 -15.009 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.711 -16.256 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.889 -15.784 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.229 -17.478 -6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.520 -15.571 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.771 -15.647 -8.984 1.00 0.00 H new ATOM 1341 N ASN A 95 -8.721 -18.579 -6.272 1.00 0.00 N ATOM 1342 CA ASN A 95 -9.073 -19.790 -5.549 1.00 0.00 C ATOM 1343 C ASN A 95 -9.493 -20.871 -6.546 1.00 0.00 C ATOM 1344 O ASN A 95 -8.940 -21.969 -6.546 1.00 0.00 O ATOM 1345 CB ASN A 95 -10.247 -19.541 -4.599 1.00 0.00 C ATOM 1346 CG ASN A 95 -11.308 -18.658 -5.258 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -12.219 -19.126 -5.920 1.00 0.00 O ATOM 1348 ND2 ASN A 95 -11.140 -17.356 -5.041 1.00 0.00 N ATOM 0 H ASN A 95 -8.818 -18.644 -7.285 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.202 -20.105 -4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.691 -20.493 -4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.887 -19.064 -3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -11.796 -16.684 -5.439 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.355 -17.030 -4.477 1.00 0.00 H new ATOM 1354 N MET A 96 -10.468 -20.521 -7.373 1.00 0.00 N ATOM 1355 CA MET A 96 -10.968 -21.449 -8.374 1.00 0.00 C ATOM 1356 C MET A 96 -12.016 -20.780 -9.265 1.00 0.00 C ATOM 1357 O MET A 96 -12.064 -21.029 -10.468 1.00 0.00 O ATOM 1358 CB MET A 96 -11.586 -22.663 -7.680 1.00 0.00 C ATOM 1359 CG MET A 96 -12.453 -22.236 -6.494 1.00 0.00 C ATOM 1360 SD MET A 96 -13.231 -23.664 -5.760 1.00 0.00 S ATOM 1361 CE MET A 96 -14.942 -23.159 -5.835 1.00 0.00 C ATOM 0 H MET A 96 -10.925 -19.609 -7.370 1.00 0.00 H new ATOM 0 HA MET A 96 -10.134 -21.764 -9.001 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.190 -23.225 -8.392 1.00 0.00 H new ATOM 0 HB3 MET A 96 -10.796 -23.330 -7.336 1.00 0.00 H new ATOM 0 HG2 MET A 96 -11.841 -21.723 -5.752 1.00 0.00 H new ATOM 0 HG3 MET A 96 -13.213 -21.528 -6.825 1.00 0.00 H new ATOM 0 HE1 MET A 96 -15.571 -23.943 -5.413 1.00 0.00 H new ATOM 0 HE2 MET A 96 -15.075 -22.240 -5.264 1.00 0.00 H new ATOM 0 HE3 MET A 96 -15.225 -22.986 -6.873 1.00 0.00 H new ATOM 1369 N CYS A 97 -12.832 -19.944 -8.639 1.00 0.00 N ATOM 1370 CA CYS A 97 -13.877 -19.238 -9.360 1.00 0.00 C ATOM 1371 C CYS A 97 -13.234 -18.495 -10.534 1.00 0.00 C ATOM 1372 O CYS A 97 -13.721 -18.567 -11.660 1.00 0.00 O ATOM 1373 CB CYS A 97 -14.656 -18.291 -8.445 1.00 0.00 C ATOM 1374 SG CYS A 97 -13.498 -17.205 -7.535 1.00 0.00 S ATOM 0 H CYS A 97 -12.790 -19.740 -7.640 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.606 -19.954 -9.739 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -15.346 -17.687 -9.035 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -15.258 -18.866 -7.741 1.00 0.00 H new ATOM 0 HG CYS A 97 -12.734 -17.928 -6.771 1.00 0.00 H new ATOM 1379 N GLY A 98 -12.150 -17.797 -10.227 1.00 0.00 N ATOM 1380 CA GLY A 98 -11.435 -17.042 -11.243 1.00 0.00 C ATOM 1381 C GLY A 98 -11.330 -15.566 -10.855 1.00 0.00 C ATOM 1382 O GLY A 98 -12.289 -14.810 -11.006 1.00 0.00 O ATOM 0 H GLY A 98 -11.750 -17.738 -9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.437 -17.459 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.949 -17.135 -12.200 1.00 0.00 H new ATOM 1386 N LEU A 99 -10.156 -15.198 -10.362 1.00 0.00 N ATOM 1387 CA LEU A 99 -9.914 -13.825 -9.951 1.00 0.00 C ATOM 1388 C LEU A 99 -11.204 -13.232 -9.380 1.00 0.00 C ATOM 1389 O LEU A 99 -12.011 -13.948 -8.789 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.324 -13.016 -11.108 1.00 0.00 C ATOM 1391 CG LEU A 99 -8.074 -13.601 -11.767 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -6.900 -13.633 -10.786 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -8.361 -14.982 -12.360 1.00 0.00 C ATOM 0 H LEU A 99 -9.362 -15.827 -10.238 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.169 -13.791 -9.156 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.092 -12.899 -11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.084 -12.018 -10.742 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.787 -12.949 -12.592 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.024 -14.053 -11.280 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.677 -12.620 -10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.162 -14.249 -9.926 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.455 -15.375 -12.822 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.687 -15.657 -11.569 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.146 -14.899 -13.112 1.00 0.00 H new ATOM 1404 N SER A 100 -11.358 -11.931 -9.578 1.00 0.00 N ATOM 1405 CA SER A 100 -12.535 -11.234 -9.090 1.00 0.00 C ATOM 1406 C SER A 100 -13.028 -10.240 -10.143 1.00 0.00 C ATOM 1407 O SER A 100 -12.239 -9.728 -10.936 1.00 0.00 O ATOM 1408 CB SER A 100 -12.243 -10.512 -7.774 1.00 0.00 C ATOM 1409 OG SER A 100 -10.997 -9.821 -7.810 1.00 0.00 O ATOM 0 H SER A 100 -10.687 -11.341 -10.070 1.00 0.00 H new ATOM 0 HA SER A 100 -13.315 -11.972 -8.902 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.044 -9.804 -7.563 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.233 -11.235 -6.958 1.00 0.00 H new ATOM 0 HG SER A 100 -11.141 -8.875 -7.599 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.330 -9.995 -10.118 1.00 0.00 N ATOM 1415 CA GLU A 101 -14.936 -9.071 -11.060 1.00 0.00 C ATOM 1416 C GLU A 101 -14.147 -7.761 -11.101 1.00 0.00 C ATOM 1417 O GLU A 101 -14.038 -7.131 -12.153 1.00 0.00 O ATOM 1418 CB GLU A 101 -16.404 -8.815 -10.709 1.00 0.00 C ATOM 1419 CG GLU A 101 -17.319 -9.187 -11.878 1.00 0.00 C ATOM 1420 CD GLU A 101 -18.084 -7.963 -12.386 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -18.929 -7.461 -11.614 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -17.805 -7.556 -13.535 1.00 0.00 O ATOM 0 H GLU A 101 -14.982 -10.421 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 101 -14.906 -9.522 -12.052 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -16.678 -9.396 -9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -16.543 -7.765 -10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.726 -9.612 -12.688 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -18.024 -9.956 -11.562 1.00 0.00 H new ATOM 1427 N ASP A 102 -13.617 -7.389 -9.946 1.00 0.00 N ATOM 1428 CA ASP A 102 -12.841 -6.166 -9.836 1.00 0.00 C ATOM 1429 C ASP A 102 -11.698 -6.379 -8.843 1.00 0.00 C ATOM 1430 O ASP A 102 -11.665 -7.383 -8.134 1.00 0.00 O ATOM 1431 CB ASP A 102 -13.703 -5.010 -9.325 1.00 0.00 C ATOM 1432 CG ASP A 102 -14.827 -5.415 -8.370 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -14.623 -6.412 -7.644 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -15.865 -4.719 -8.388 1.00 0.00 O ATOM 0 H ASP A 102 -13.710 -7.914 -9.076 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.459 -5.920 -10.827 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.058 -4.292 -8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.141 -4.497 -10.181 1.00 0.00 H new ATOM 1438 N ALA A 103 -10.787 -5.417 -8.822 1.00 0.00 N ATOM 1439 CA ALA A 103 -9.645 -5.486 -7.927 1.00 0.00 C ATOM 1440 C ALA A 103 -9.517 -4.166 -7.165 1.00 0.00 C ATOM 1441 O ALA A 103 -9.414 -3.101 -7.775 1.00 0.00 O ATOM 1442 CB ALA A 103 -8.386 -5.820 -8.730 1.00 0.00 C ATOM 0 H ALA A 103 -10.817 -4.585 -9.411 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.783 -6.278 -7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.529 -5.872 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.516 -6.781 -9.227 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.215 -5.045 -9.477 1.00 0.00 H new ATOM 1448 N THR A 104 -9.529 -4.276 -5.845 1.00 0.00 N ATOM 1449 CA THR A 104 -9.416 -3.104 -4.994 1.00 0.00 C ATOM 1450 C THR A 104 -8.118 -2.351 -5.294 1.00 0.00 C ATOM 1451 O THR A 104 -7.054 -2.720 -4.800 1.00 0.00 O ATOM 1452 CB THR A 104 -9.531 -3.562 -3.539 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.892 -3.963 -3.408 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.385 -2.406 -2.548 1.00 0.00 C ATOM 0 H THR A 104 -9.615 -5.160 -5.343 1.00 0.00 H new ATOM 0 HA THR A 104 -10.220 -2.394 -5.190 1.00 0.00 H new ATOM 0 HB THR A 104 -8.769 -4.314 -3.334 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.054 -4.277 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.475 -2.786 -1.530 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.409 -1.938 -2.676 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.167 -1.669 -2.730 1.00 0.00 H new ATOM 1462 N MET A 105 -8.248 -1.309 -6.102 1.00 0.00 N ATOM 1463 CA MET A 105 -7.100 -0.501 -6.473 1.00 0.00 C ATOM 1464 C MET A 105 -6.610 0.333 -5.288 1.00 0.00 C ATOM 1465 O MET A 105 -7.399 0.719 -4.427 1.00 0.00 O ATOM 1466 CB MET A 105 -7.480 0.428 -7.628 1.00 0.00 C ATOM 1467 CG MET A 105 -6.232 1.000 -8.306 1.00 0.00 C ATOM 1468 SD MET A 105 -6.283 2.783 -8.273 1.00 0.00 S ATOM 1469 CE MET A 105 -6.680 3.114 -9.981 1.00 0.00 C ATOM 0 H MET A 105 -9.132 -1.006 -6.510 1.00 0.00 H new ATOM 0 HA MET A 105 -6.295 -1.168 -6.781 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.076 -0.119 -8.358 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.101 1.242 -7.255 1.00 0.00 H new ATOM 0 HG2 MET A 105 -5.336 0.644 -7.797 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.174 0.649 -9.336 1.00 0.00 H new ATOM 0 HE1 MET A 105 -6.663 4.190 -10.157 1.00 0.00 H new ATOM 0 HE2 MET A 105 -5.947 2.629 -10.626 1.00 0.00 H new ATOM 0 HE3 MET A 105 -7.673 2.725 -10.206 1.00 0.00 H new ATOM 1477 N THR A 106 -5.309 0.586 -5.280 1.00 0.00 N ATOM 1478 CA THR A 106 -4.705 1.367 -4.214 1.00 0.00 C ATOM 1479 C THR A 106 -5.461 2.682 -4.021 1.00 0.00 C ATOM 1480 O THR A 106 -5.476 3.531 -4.912 1.00 0.00 O ATOM 1481 CB THR A 106 -3.225 1.561 -4.551 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.227 1.928 -5.928 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.439 0.249 -4.517 1.00 0.00 C ATOM 0 H THR A 106 -4.657 0.264 -5.995 1.00 0.00 H new ATOM 0 HA THR A 106 -4.771 0.848 -3.258 1.00 0.00 H new ATOM 0 HB THR A 106 -2.783 2.267 -3.848 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.109 2.898 -6.008 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.395 0.444 -4.763 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.501 -0.187 -3.520 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.860 -0.446 -5.244 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.072 2.812 -2.853 1.00 0.00 N ATOM 1492 CA LYS A 107 -6.829 4.010 -2.531 1.00 0.00 C ATOM 1493 C LYS A 107 -6.081 5.237 -3.058 1.00 0.00 C ATOM 1494 O LYS A 107 -6.700 6.231 -3.432 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.128 4.068 -1.032 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.630 3.947 -0.769 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.256 5.321 -0.519 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.777 5.268 -0.679 1.00 0.00 C ATOM 1499 NZ LYS A 107 -11.403 6.463 -0.072 1.00 0.00 N ATOM 0 H LYS A 107 -6.058 2.106 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.800 3.992 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.599 3.264 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.757 5.006 -0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.115 3.472 -1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.801 3.303 0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.004 5.662 0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.838 6.047 -1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.036 5.212 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.167 4.366 -0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.435 6.412 -0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.171 6.500 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.044 7.319 -0.541 1.00 0.00 H new ATOM 1509 N GLU A 108 -4.761 5.125 -3.070 1.00 0.00 N ATOM 1510 CA GLU A 108 -3.923 6.213 -3.545 1.00 0.00 C ATOM 1511 C GLU A 108 -2.957 5.708 -4.619 1.00 0.00 C ATOM 1512 O GLU A 108 -2.865 4.506 -4.862 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.164 6.865 -2.387 1.00 0.00 C ATOM 1514 CG GLU A 108 -2.165 5.886 -1.766 1.00 0.00 C ATOM 1515 CD GLU A 108 -1.449 6.519 -0.571 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -2.123 6.696 0.466 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -0.243 6.811 -0.722 1.00 0.00 O ATOM 0 H GLU A 108 -4.251 4.298 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.565 6.974 -3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.637 7.750 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.870 7.200 -1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.686 4.983 -1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.433 5.584 -2.515 1.00 0.00 H new ATOM 1522 N SER A 109 -2.261 6.653 -5.234 1.00 0.00 N ATOM 1523 CA SER A 109 -1.305 6.321 -6.276 1.00 0.00 C ATOM 1524 C SER A 109 0.109 6.269 -5.694 1.00 0.00 C ATOM 1525 O SER A 109 0.314 6.593 -4.525 1.00 0.00 O ATOM 1526 CB SER A 109 -1.369 7.329 -7.425 1.00 0.00 C ATOM 1527 OG SER A 109 -0.698 6.855 -8.590 1.00 0.00 O ATOM 0 H SER A 109 -2.340 7.649 -5.030 1.00 0.00 H new ATOM 0 HA SER A 109 -1.563 5.340 -6.675 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.411 7.537 -7.667 1.00 0.00 H new ATOM 0 HB3 SER A 109 -0.921 8.270 -7.107 1.00 0.00 H new ATOM 0 HG SER A 109 -1.346 6.435 -9.193 1.00 0.00 H new ATOM 1532 N ALA A 110 1.046 5.859 -6.536 1.00 0.00 N ATOM 1533 CA ALA A 110 2.435 5.762 -6.118 1.00 0.00 C ATOM 1534 C ALA A 110 3.308 6.580 -7.072 1.00 0.00 C ATOM 1535 O ALA A 110 3.311 6.339 -8.279 1.00 0.00 O ATOM 1536 CB ALA A 110 2.850 4.290 -6.065 1.00 0.00 C ATOM 0 H ALA A 110 0.872 5.590 -7.504 1.00 0.00 H new ATOM 0 HA ALA A 110 2.565 6.174 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.891 4.217 -5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.218 3.759 -5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.736 3.844 -7.053 1.00 0.00 H new ATOM 1542 N VAL A 111 4.029 7.530 -6.496 1.00 0.00 N ATOM 1543 CA VAL A 111 4.905 8.385 -7.279 1.00 0.00 C ATOM 1544 C VAL A 111 6.358 7.964 -7.051 1.00 0.00 C ATOM 1545 O VAL A 111 6.804 7.847 -5.910 1.00 0.00 O ATOM 1546 CB VAL A 111 4.647 9.853 -6.936 1.00 0.00 C ATOM 1547 CG1 VAL A 111 4.100 10.612 -8.147 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.704 9.979 -5.737 1.00 0.00 C ATOM 0 H VAL A 111 4.025 7.727 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 111 4.697 8.273 -8.343 1.00 0.00 H new ATOM 0 HB VAL A 111 5.600 10.305 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.925 11.653 -7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.822 10.566 -8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.162 10.158 -8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.537 11.033 -5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.752 9.503 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.150 9.491 -4.870 1.00 0.00 H new ATOM 1558 N ILE A 112 7.058 7.748 -8.156 1.00 0.00 N ATOM 1559 CA ILE A 112 8.452 7.343 -8.091 1.00 0.00 C ATOM 1560 C ILE A 112 9.334 8.585 -7.942 1.00 0.00 C ATOM 1561 O ILE A 112 9.012 9.646 -8.474 1.00 0.00 O ATOM 1562 CB ILE A 112 8.814 6.474 -9.296 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.764 5.383 -9.521 1.00 0.00 C ATOM 1564 CG2 ILE A 112 10.222 5.891 -9.151 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.740 4.395 -8.353 1.00 0.00 C ATOM 0 H ILE A 112 6.686 7.846 -9.101 1.00 0.00 H new ATOM 0 HA ILE A 112 8.627 6.720 -7.214 1.00 0.00 H new ATOM 0 HB ILE A 112 8.817 7.107 -10.183 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.780 5.838 -9.637 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.980 4.851 -10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.453 5.277 -10.022 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.946 6.702 -9.076 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.271 5.277 -8.251 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.985 3.631 -8.539 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.718 3.923 -8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.500 4.926 -7.432 1.00 0.00 H new ATOM 1576 N ALA A 113 10.427 8.411 -7.215 1.00 0.00 N ATOM 1577 CA ALA A 113 11.357 9.504 -6.989 1.00 0.00 C ATOM 1578 C ALA A 113 12.662 8.948 -6.416 1.00 0.00 C ATOM 1579 O ALA A 113 12.644 8.026 -5.602 1.00 0.00 O ATOM 1580 CB ALA A 113 10.712 10.542 -6.068 1.00 0.00 C ATOM 0 H ALA A 113 10.690 7.529 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 113 11.596 10.004 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.410 11.362 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.805 10.928 -6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.461 10.077 -5.115 1.00 0.00 H new