USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 675 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 51 GLN : amide:sc=-0.00711 K(o=-0.0071,f=-1.3) USER MOD Set 1.2: A 98 LYS NZ :NH3+ -164:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0.404 USER MOD Set 2.2: A 83 THR OG1 : rot -70:sc= 0.437 USER MOD Set 3.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 30 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-2.9!) USER MOD Single : A 17 ASN : amide:sc= -2.33! C(o=-2.3!,f=-3.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 71:sc= -0.25 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.956 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 36 HIS : no HE2:sc= -2.23 X(o=-2.2,f=-2) USER MOD Single : A 39 SER OG : rot 173:sc= -0.0644 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 173:sc= -0.795 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 168:sc= -0.887 (180deg=-1.59!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0105) USER MOD Single : A 79 GLN : amide:sc= -0.364 K(o=-0.36,f=-1.8!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 81 HIS : no HD1:sc= -0.796 K(o=-0.8,f=0.0073) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0838 USER MOD Single : A 85 HIS : no HD1:sc= -2.05 X(o=-2.1,f=-1.9) USER MOD Single : A 88 GLN : amide:sc= -0.852 K(o=-0.85,f=-2.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 68:sc= 0.226 USER MOD Single : A 93 TYR OH : rot 0:sc= -0.343 USER MOD Single : A 101 ASN : amide:sc= -1.18 K(o=-1.2,f=-11!) USER MOD Single : A 102 GLN : amide:sc= -2.2! C(o=-2.2!,f=-3.3!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.0846 K(o=0.085,f=-5.5!) USER MOD Single : A 108 SER OG : rot 168:sc= 0.983 USER MOD Single : A 111 THR OG1 : rot -120:sc= -0.286 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -166:sc= 0.469 USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -3.774 -16.392 -5.946 1.00 0.00 N ATOM 174 CA ALA A 15 -3.917 -14.967 -5.677 1.00 0.00 C ATOM 175 C ALA A 15 -3.275 -14.593 -4.345 1.00 0.00 C ATOM 176 O ALA A 15 -3.471 -15.255 -3.326 1.00 0.00 O ATOM 177 CB ALA A 15 -5.387 -14.574 -5.685 1.00 0.00 C ATOM 0 HA ALA A 15 -3.401 -14.419 -6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.479 -13.507 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.818 -14.797 -6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.918 -15.136 -4.917 1.00 0.00 H new ATOM 183 N PRO A 16 -2.488 -13.507 -4.351 1.00 0.00 N ATOM 184 CA PRO A 16 -1.801 -13.020 -3.152 1.00 0.00 C ATOM 185 C PRO A 16 -2.767 -12.435 -2.127 1.00 0.00 C ATOM 186 O PRO A 16 -3.640 -11.639 -2.468 1.00 0.00 O ATOM 187 CB PRO A 16 -0.871 -11.931 -3.692 1.00 0.00 C ATOM 188 CG PRO A 16 -1.523 -11.465 -4.948 1.00 0.00 C ATOM 189 CD PRO A 16 -2.209 -12.669 -5.530 1.00 0.00 C ATOM 0 HA PRO A 16 -1.281 -13.822 -2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.760 -11.115 -2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.127 -12.323 -3.886 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.239 -10.669 -4.744 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.787 -11.061 -5.643 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.125 -12.395 -6.054 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.573 -13.186 -6.249 1.00 0.00 H new ATOM 197 N ASN A 17 -2.603 -12.835 -0.870 1.00 0.00 N ATOM 198 CA ASN A 17 -3.461 -12.350 0.204 1.00 0.00 C ATOM 199 C ASN A 17 -3.521 -10.825 0.206 1.00 0.00 C ATOM 200 O ASN A 17 -2.526 -10.139 -0.027 1.00 0.00 O ATOM 201 CB ASN A 17 -2.954 -12.852 1.557 1.00 0.00 C ATOM 202 CG ASN A 17 -3.705 -12.237 2.722 1.00 0.00 C ATOM 203 OD1 ASN A 17 -3.476 -11.083 3.083 1.00 0.00 O ATOM 204 ND2 ASN A 17 -4.609 -13.008 3.316 1.00 0.00 N ATOM 0 H ASN A 17 -1.884 -13.494 -0.571 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.466 -12.736 0.034 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.051 -13.937 1.598 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.892 -12.623 1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.146 -12.649 4.105 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.766 -13.959 2.983 1.00 0.00 H new ATOM 211 N PRO A 18 -4.717 -10.281 0.475 1.00 0.00 N ATOM 212 CA PRO A 18 -4.936 -8.832 0.515 1.00 0.00 C ATOM 213 C PRO A 18 -4.259 -8.175 1.713 1.00 0.00 C ATOM 214 O PRO A 18 -4.477 -8.553 2.864 1.00 0.00 O ATOM 215 CB PRO A 18 -6.458 -8.706 0.626 1.00 0.00 C ATOM 216 CG PRO A 18 -6.898 -9.982 1.255 1.00 0.00 C ATOM 217 CD PRO A 18 -5.947 -11.037 0.762 1.00 0.00 C ATOM 0 HA PRO A 18 -4.515 -8.333 -0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.741 -7.847 1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.916 -8.568 -0.353 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.872 -9.910 2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.924 -10.221 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.778 -11.808 1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.328 -11.537 -0.128 1.00 0.00 H new ATOM 225 N PRO A 19 -3.416 -7.169 1.439 1.00 0.00 N ATOM 226 CA PRO A 19 -2.690 -6.438 2.482 1.00 0.00 C ATOM 227 C PRO A 19 -3.612 -5.566 3.328 1.00 0.00 C ATOM 228 O PRO A 19 -4.550 -4.957 2.814 1.00 0.00 O ATOM 229 CB PRO A 19 -1.710 -5.568 1.689 1.00 0.00 C ATOM 230 CG PRO A 19 -2.353 -5.393 0.357 1.00 0.00 C ATOM 231 CD PRO A 19 -3.108 -6.665 0.090 1.00 0.00 C ATOM 0 HA PRO A 19 -2.207 -7.111 3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.546 -4.608 2.179 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.736 -6.050 1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.024 -4.534 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.606 -5.213 -0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.014 -6.481 -0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.508 -7.377 -0.478 1.00 0.00 H new ATOM 239 N SER A 20 -3.338 -5.510 4.627 1.00 0.00 N ATOM 240 CA SER A 20 -4.145 -4.715 5.545 1.00 0.00 C ATOM 241 C SER A 20 -3.424 -3.426 5.926 1.00 0.00 C ATOM 242 O SER A 20 -2.454 -3.446 6.684 1.00 0.00 O ATOM 243 CB SER A 20 -4.470 -5.523 6.803 1.00 0.00 C ATOM 244 OG SER A 20 -5.680 -6.243 6.649 1.00 0.00 O ATOM 0 H SER A 20 -2.563 -6.006 5.068 1.00 0.00 H new ATOM 0 HA SER A 20 -5.075 -4.454 5.040 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.655 -6.216 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.549 -4.853 7.659 1.00 0.00 H new ATOM 0 HG SER A 20 -5.864 -6.752 7.466 1.00 0.00 H new ATOM 250 N ILE A 21 -3.905 -2.307 5.395 1.00 0.00 N ATOM 251 CA ILE A 21 -3.307 -1.009 5.680 1.00 0.00 C ATOM 252 C ILE A 21 -3.601 -0.570 7.110 1.00 0.00 C ATOM 253 O ILE A 21 -4.739 -0.243 7.448 1.00 0.00 O ATOM 254 CB ILE A 21 -3.817 0.071 4.708 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.514 -0.328 3.262 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.189 1.418 5.034 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.218 0.533 2.237 1.00 0.00 C ATOM 0 H ILE A 21 -4.707 -2.273 4.765 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.231 -1.123 5.552 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.897 0.159 4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.438 -0.270 3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.804 -1.368 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.560 2.170 4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.452 1.705 6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.105 1.345 4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.957 0.193 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.296 0.457 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.909 1.571 2.360 1.00 0.00 H new ATOM 269 N ARG A 22 -2.568 -0.564 7.946 1.00 0.00 N ATOM 270 CA ARG A 22 -2.716 -0.164 9.340 1.00 0.00 C ATOM 271 C ARG A 22 -2.813 1.354 9.463 1.00 0.00 C ATOM 272 O ARG A 22 -1.811 2.060 9.354 1.00 0.00 O ATOM 273 CB ARG A 22 -1.537 -0.679 10.168 1.00 0.00 C ATOM 274 CG ARG A 22 -1.452 -2.196 10.229 1.00 0.00 C ATOM 275 CD ARG A 22 -2.576 -2.783 11.068 1.00 0.00 C ATOM 276 NE ARG A 22 -2.240 -2.812 12.489 1.00 0.00 N ATOM 277 CZ ARG A 22 -1.343 -3.638 13.016 1.00 0.00 C ATOM 278 NH1 ARG A 22 -0.695 -4.499 12.242 1.00 0.00 N ATOM 279 NH2 ARG A 22 -1.092 -3.605 14.318 1.00 0.00 N ATOM 0 H ARG A 22 -1.620 -0.832 7.682 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.638 -0.602 9.722 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.610 -0.288 9.747 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.617 -0.287 11.182 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.498 -2.605 9.220 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.490 -2.491 10.649 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.482 -2.196 10.922 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.793 -3.795 10.726 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.721 -2.162 13.111 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.885 -4.528 11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.007 -5.132 12.649 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.588 -2.945 14.916 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.403 -4.240 14.721 1.00 0.00 H new ATOM 293 N GLU A 23 -4.026 1.848 9.690 1.00 0.00 N ATOM 294 CA GLU A 23 -4.253 3.282 9.827 1.00 0.00 C ATOM 295 C GLU A 23 -3.663 3.804 11.134 1.00 0.00 C ATOM 296 O GLU A 23 -3.138 4.916 11.189 1.00 0.00 O ATOM 297 CB GLU A 23 -5.750 3.591 9.771 1.00 0.00 C ATOM 298 CG GLU A 23 -6.270 3.831 8.363 1.00 0.00 C ATOM 299 CD GLU A 23 -7.475 4.751 8.335 1.00 0.00 C ATOM 300 OE1 GLU A 23 -7.306 5.956 8.616 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.585 4.267 8.032 1.00 0.00 O ATOM 0 H GLU A 23 -4.866 1.277 9.783 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.754 3.784 8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.300 2.762 10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.954 4.472 10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.475 4.262 7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.536 2.876 7.910 1.00 0.00 H new ATOM 308 N GLU A 24 -3.754 2.993 12.183 1.00 0.00 N ATOM 309 CA GLU A 24 -3.231 3.374 13.490 1.00 0.00 C ATOM 310 C GLU A 24 -1.725 3.611 13.425 1.00 0.00 C ATOM 311 O GLU A 24 -1.192 4.487 14.109 1.00 0.00 O ATOM 312 CB GLU A 24 -3.543 2.291 14.525 1.00 0.00 C ATOM 313 CG GLU A 24 -2.878 0.957 14.229 1.00 0.00 C ATOM 314 CD GLU A 24 -3.016 -0.029 15.373 1.00 0.00 C ATOM 315 OE1 GLU A 24 -4.082 -0.038 16.024 1.00 0.00 O ATOM 316 OE2 GLU A 24 -2.058 -0.792 15.616 1.00 0.00 O ATOM 0 H GLU A 24 -4.185 2.069 12.154 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.716 4.303 13.790 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.223 2.637 15.508 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.622 2.147 14.573 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.318 0.528 13.329 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.821 1.120 14.020 1.00 0.00 H new ATOM 323 N LEU A 25 -1.043 2.826 12.598 1.00 0.00 N ATOM 324 CA LEU A 25 0.402 2.949 12.443 1.00 0.00 C ATOM 325 C LEU A 25 0.750 4.011 11.406 1.00 0.00 C ATOM 326 O LEU A 25 1.849 4.567 11.416 1.00 0.00 O ATOM 327 CB LEU A 25 1.007 1.604 12.036 1.00 0.00 C ATOM 328 CG LEU A 25 0.537 0.387 12.833 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.145 -0.888 12.269 1.00 0.00 C ATOM 330 CD2 LEU A 25 0.892 0.544 14.305 1.00 0.00 C ATOM 0 H LEU A 25 -1.468 2.097 12.024 1.00 0.00 H new ATOM 0 HA LEU A 25 0.821 3.254 13.402 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.784 1.432 10.983 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.091 1.674 12.125 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.547 0.317 12.747 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.799 -1.744 12.849 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.840 -1.007 11.229 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.232 -0.828 12.324 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.550 -0.331 14.857 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.973 0.640 14.410 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.408 1.436 14.703 1.00 0.00 H new ATOM 342 N CYS A 26 -0.194 4.290 10.513 1.00 0.00 N ATOM 343 CA CYS A 26 0.012 5.287 9.469 1.00 0.00 C ATOM 344 C CYS A 26 0.347 6.647 10.074 1.00 0.00 C ATOM 345 O CYS A 26 0.023 6.921 11.230 1.00 0.00 O ATOM 346 CB CYS A 26 -1.233 5.400 8.589 1.00 0.00 C ATOM 347 SG CYS A 26 -1.335 4.147 7.290 1.00 0.00 S ATOM 0 H CYS A 26 -1.109 3.840 10.491 1.00 0.00 H new ATOM 0 HA CYS A 26 0.853 4.965 8.855 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.119 5.327 9.220 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.251 6.388 8.128 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.596 2.990 7.823 1.00 0.00 H new ATOM 353 N THR A 27 1.000 7.495 9.286 1.00 0.00 N ATOM 354 CA THR A 27 1.381 8.825 9.744 1.00 0.00 C ATOM 355 C THR A 27 1.202 9.860 8.640 1.00 0.00 C ATOM 356 O THR A 27 1.469 9.586 7.470 1.00 0.00 O ATOM 357 CB THR A 27 2.844 8.855 10.228 1.00 0.00 C ATOM 358 OG1 THR A 27 3.723 8.513 9.150 1.00 0.00 O ATOM 359 CG2 THR A 27 3.051 7.888 11.384 1.00 0.00 C ATOM 0 H THR A 27 1.276 7.284 8.327 1.00 0.00 H new ATOM 0 HA THR A 27 0.724 9.071 10.578 1.00 0.00 H new ATOM 0 HB THR A 27 3.069 9.864 10.574 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.651 8.536 9.465 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.091 7.926 11.709 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.401 8.168 12.213 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.809 6.876 11.059 1.00 0.00 H new ATOM 367 N ALA A 28 0.748 11.051 9.018 1.00 0.00 N ATOM 368 CA ALA A 28 0.536 12.128 8.060 1.00 0.00 C ATOM 369 C ALA A 28 1.445 13.315 8.358 1.00 0.00 C ATOM 370 O ALA A 28 1.597 13.719 9.511 1.00 0.00 O ATOM 371 CB ALA A 28 -0.922 12.562 8.068 1.00 0.00 C ATOM 0 H ALA A 28 0.520 11.294 9.982 1.00 0.00 H new ATOM 0 HA ALA A 28 0.786 11.753 7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.066 13.367 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.555 11.716 7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.191 12.914 9.064 1.00 0.00 H new ATOM 377 N SER A 29 2.049 13.870 7.311 1.00 0.00 N ATOM 378 CA SER A 29 2.947 15.008 7.462 1.00 0.00 C ATOM 379 C SER A 29 2.607 16.105 6.458 1.00 0.00 C ATOM 380 O SER A 29 1.935 15.859 5.456 1.00 0.00 O ATOM 381 CB SER A 29 4.400 14.567 7.279 1.00 0.00 C ATOM 382 OG SER A 29 5.284 15.411 7.996 1.00 0.00 O ATOM 0 H SER A 29 1.932 13.549 6.350 1.00 0.00 H new ATOM 0 HA SER A 29 2.820 15.408 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.517 13.539 7.621 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.657 14.582 6.220 1.00 0.00 H new ATOM 0 HG SER A 29 6.206 15.107 7.864 1.00 0.00 H new ATOM 388 N HIS A 30 3.076 17.318 6.734 1.00 0.00 N ATOM 389 CA HIS A 30 2.822 18.454 5.855 1.00 0.00 C ATOM 390 C HIS A 30 2.816 18.019 4.393 1.00 0.00 C ATOM 391 O HIS A 30 1.768 17.991 3.748 1.00 0.00 O ATOM 392 CB HIS A 30 3.878 19.539 6.072 1.00 0.00 C ATOM 393 CG HIS A 30 5.246 18.997 6.349 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.608 18.450 7.561 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.343 18.918 5.560 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.869 18.060 7.507 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.338 18.332 6.303 1.00 0.00 N ATOM 0 H HIS A 30 3.634 17.539 7.559 1.00 0.00 H new ATOM 0 HA HIS A 30 1.840 18.859 6.099 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.920 20.175 5.188 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.571 20.171 6.905 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.421 19.253 4.536 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.422 17.597 8.311 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.285 18.138 5.978 1.00 0.00 H new ATOM 406 N ASP A 31 3.993 17.682 3.876 1.00 0.00 N ATOM 407 CA ASP A 31 4.123 17.248 2.490 1.00 0.00 C ATOM 408 C ASP A 31 4.665 15.824 2.415 1.00 0.00 C ATOM 409 O ASP A 31 5.327 15.450 1.446 1.00 0.00 O ATOM 410 CB ASP A 31 5.041 18.198 1.720 1.00 0.00 C ATOM 411 CG ASP A 31 6.460 18.193 2.255 1.00 0.00 C ATOM 412 OD1 ASP A 31 6.859 17.180 2.866 1.00 0.00 O ATOM 413 OD2 ASP A 31 7.170 19.202 2.065 1.00 0.00 O ATOM 0 H ASP A 31 4.870 17.701 4.396 1.00 0.00 H new ATOM 0 HA ASP A 31 3.133 17.265 2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.052 17.915 0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.639 19.210 1.774 1.00 0.00 H new ATOM 418 N THR A 32 4.380 15.033 3.444 1.00 0.00 N ATOM 419 CA THR A 32 4.840 13.651 3.496 1.00 0.00 C ATOM 420 C THR A 32 3.833 12.763 4.219 1.00 0.00 C ATOM 421 O THR A 32 3.131 13.215 5.124 1.00 0.00 O ATOM 422 CB THR A 32 6.205 13.540 4.201 1.00 0.00 C ATOM 423 OG1 THR A 32 6.960 14.740 3.999 1.00 0.00 O ATOM 424 CG2 THR A 32 6.989 12.347 3.676 1.00 0.00 C ATOM 0 H THR A 32 3.832 15.326 4.253 1.00 0.00 H new ATOM 0 HA THR A 32 4.943 13.313 2.465 1.00 0.00 H new ATOM 0 HB THR A 32 6.028 13.398 5.267 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.826 14.662 4.451 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.949 12.289 4.188 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.425 11.432 3.858 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.156 12.464 2.605 1.00 0.00 H new ATOM 432 N ILE A 33 3.770 11.499 3.816 1.00 0.00 N ATOM 433 CA ILE A 33 2.850 10.548 4.428 1.00 0.00 C ATOM 434 C ILE A 33 3.401 9.128 4.357 1.00 0.00 C ATOM 435 O ILE A 33 3.884 8.687 3.313 1.00 0.00 O ATOM 436 CB ILE A 33 1.468 10.584 3.749 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.802 11.943 3.973 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.588 9.463 4.279 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.565 12.059 3.336 1.00 0.00 C ATOM 0 H ILE A 33 4.345 11.109 3.069 1.00 0.00 H new ATOM 0 HA ILE A 33 2.741 10.842 5.472 1.00 0.00 H new ATOM 0 HB ILE A 33 1.602 10.438 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.711 12.122 5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.448 12.725 3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.385 9.502 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.060 8.502 4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.458 9.580 5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.977 13.048 3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.478 11.913 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.226 11.300 3.753 1.00 0.00 H new ATOM 451 N THR A 34 3.324 8.413 5.475 1.00 0.00 N ATOM 452 CA THR A 34 3.814 7.041 5.541 1.00 0.00 C ATOM 453 C THR A 34 2.674 6.062 5.797 1.00 0.00 C ATOM 454 O THR A 34 1.981 6.152 6.810 1.00 0.00 O ATOM 455 CB THR A 34 4.875 6.876 6.646 1.00 0.00 C ATOM 456 OG1 THR A 34 5.918 7.843 6.472 1.00 0.00 O ATOM 457 CG2 THR A 34 5.467 5.475 6.623 1.00 0.00 C ATOM 0 H THR A 34 2.927 8.761 6.348 1.00 0.00 H new ATOM 0 HA THR A 34 4.269 6.821 4.575 1.00 0.00 H new ATOM 0 HB THR A 34 4.391 7.033 7.610 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.588 7.733 7.179 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.213 5.382 7.412 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.676 4.743 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.937 5.294 5.656 1.00 0.00 H new ATOM 465 N VAL A 35 2.486 5.126 4.872 1.00 0.00 N ATOM 466 CA VAL A 35 1.431 4.128 4.999 1.00 0.00 C ATOM 467 C VAL A 35 2.003 2.769 5.388 1.00 0.00 C ATOM 468 O VAL A 35 2.829 2.202 4.671 1.00 0.00 O ATOM 469 CB VAL A 35 0.637 3.981 3.687 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.435 2.911 3.828 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.023 5.313 3.285 1.00 0.00 C ATOM 0 H VAL A 35 3.050 5.038 4.027 1.00 0.00 H new ATOM 0 HA VAL A 35 0.760 4.475 5.785 1.00 0.00 H new ATOM 0 HB VAL A 35 1.324 3.671 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.985 2.822 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.033 1.956 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.122 3.188 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.534 5.191 2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.651 5.655 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.814 6.049 3.140 1.00 0.00 H new ATOM 481 N HIS A 36 1.559 2.251 6.529 1.00 0.00 N ATOM 482 CA HIS A 36 2.027 0.957 7.014 1.00 0.00 C ATOM 483 C HIS A 36 1.005 -0.136 6.716 1.00 0.00 C ATOM 484 O HIS A 36 -0.157 -0.036 7.109 1.00 0.00 O ATOM 485 CB HIS A 36 2.299 1.021 8.517 1.00 0.00 C ATOM 486 CG HIS A 36 3.241 2.117 8.909 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.265 1.942 9.816 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.311 3.409 8.511 1.00 0.00 C ATOM 489 CE1 HIS A 36 4.922 3.079 9.960 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.364 3.985 9.178 1.00 0.00 N ATOM 0 H HIS A 36 0.876 2.707 7.135 1.00 0.00 H new ATOM 0 HA HIS A 36 2.954 0.715 6.494 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.355 1.159 9.043 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.709 0.066 8.845 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.481 1.071 10.300 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.660 3.896 7.801 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.771 3.240 10.607 1.00 0.00 H new ATOM 499 N TRP A 37 1.446 -1.177 6.020 1.00 0.00 N ATOM 500 CA TRP A 37 0.569 -2.288 5.669 1.00 0.00 C ATOM 501 C TRP A 37 1.067 -3.591 6.286 1.00 0.00 C ATOM 502 O TRP A 37 2.272 -3.835 6.353 1.00 0.00 O ATOM 503 CB TRP A 37 0.478 -2.432 4.149 1.00 0.00 C ATOM 504 CG TRP A 37 1.814 -2.419 3.469 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.638 -3.488 3.260 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.481 -1.281 2.913 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.777 -3.082 2.607 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.705 -1.733 2.381 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.163 0.076 2.810 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.608 -0.876 1.759 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.061 0.926 2.192 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.271 0.447 1.672 1.00 0.00 C ATOM 0 H TRP A 37 2.405 -1.275 5.687 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.423 -2.075 6.067 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.034 -3.364 3.910 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.132 -1.621 3.750 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.426 -4.503 3.563 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.551 -3.688 2.335 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.232 0.454 3.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.542 -1.242 1.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.826 1.977 2.109 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.951 1.136 1.193 1.00 0.00 H new ATOM 523 N ILE A 38 0.134 -4.423 6.735 1.00 0.00 N ATOM 524 CA ILE A 38 0.479 -5.700 7.345 1.00 0.00 C ATOM 525 C ILE A 38 0.009 -6.867 6.482 1.00 0.00 C ATOM 526 O ILE A 38 -1.071 -6.822 5.895 1.00 0.00 O ATOM 527 CB ILE A 38 -0.134 -5.837 8.751 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.356 -7.122 9.423 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.653 -5.821 8.670 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.678 -6.962 10.141 1.00 0.00 C ATOM 0 H ILE A 38 -0.867 -4.235 6.688 1.00 0.00 H new ATOM 0 HA ILE A 38 1.566 -5.726 7.427 1.00 0.00 H new ATOM 0 HB ILE A 38 0.187 -4.989 9.355 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.397 -7.460 10.135 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.454 -7.903 8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.072 -5.919 9.672 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.984 -4.881 8.228 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.993 -6.652 8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.964 -7.912 10.593 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.444 -6.654 9.429 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.580 -6.205 10.919 1.00 0.00 H new ATOM 542 N SER A 39 0.828 -7.911 6.412 1.00 0.00 N ATOM 543 CA SER A 39 0.498 -9.090 5.620 1.00 0.00 C ATOM 544 C SER A 39 0.877 -10.368 6.362 1.00 0.00 C ATOM 545 O SER A 39 1.760 -10.362 7.220 1.00 0.00 O ATOM 546 CB SER A 39 1.215 -9.040 4.269 1.00 0.00 C ATOM 547 OG SER A 39 1.326 -10.334 3.702 1.00 0.00 O ATOM 0 H SER A 39 1.725 -7.965 6.894 1.00 0.00 H new ATOM 0 HA SER A 39 -0.579 -9.094 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.669 -8.387 3.588 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.208 -8.609 4.397 1.00 0.00 H new ATOM 0 HG SER A 39 1.691 -10.264 2.795 1.00 0.00 H new ATOM 553 N ASP A 40 0.202 -11.462 6.026 1.00 0.00 N ATOM 554 CA ASP A 40 0.468 -12.748 6.659 1.00 0.00 C ATOM 555 C ASP A 40 1.524 -13.529 5.882 1.00 0.00 C ATOM 556 O ASP A 40 2.304 -14.283 6.463 1.00 0.00 O ATOM 557 CB ASP A 40 -0.820 -13.568 6.758 1.00 0.00 C ATOM 558 CG ASP A 40 -0.726 -14.673 7.791 1.00 0.00 C ATOM 559 OD1 ASP A 40 -0.028 -15.674 7.527 1.00 0.00 O ATOM 560 OD2 ASP A 40 -1.350 -14.536 8.865 1.00 0.00 O ATOM 0 H ASP A 40 -0.533 -11.484 5.319 1.00 0.00 H new ATOM 0 HA ASP A 40 0.848 -12.559 7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.649 -12.907 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.046 -14.003 5.784 1.00 0.00 H new ATOM 565 N ASP A 41 1.541 -13.343 4.567 1.00 0.00 N ATOM 566 CA ASP A 41 2.501 -14.029 3.710 1.00 0.00 C ATOM 567 C ASP A 41 3.138 -13.058 2.721 1.00 0.00 C ATOM 568 O ASP A 41 2.550 -12.736 1.689 1.00 0.00 O ATOM 569 CB ASP A 41 1.818 -15.171 2.956 1.00 0.00 C ATOM 570 CG ASP A 41 1.345 -16.274 3.881 1.00 0.00 C ATOM 571 OD1 ASP A 41 2.200 -16.910 4.532 1.00 0.00 O ATOM 572 OD2 ASP A 41 0.119 -16.503 3.954 1.00 0.00 O ATOM 0 H ASP A 41 0.901 -12.723 4.071 1.00 0.00 H new ATOM 0 HA ASP A 41 3.287 -14.441 4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.967 -14.778 2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.512 -15.586 2.225 1.00 0.00 H new ATOM 577 N GLU A 42 4.341 -12.595 3.045 1.00 0.00 N ATOM 578 CA GLU A 42 5.056 -11.659 2.185 1.00 0.00 C ATOM 579 C GLU A 42 6.285 -12.319 1.566 1.00 0.00 C ATOM 580 O GLU A 42 6.965 -11.727 0.727 1.00 0.00 O ATOM 581 CB GLU A 42 5.474 -10.420 2.978 1.00 0.00 C ATOM 582 CG GLU A 42 6.489 -10.710 4.070 1.00 0.00 C ATOM 583 CD GLU A 42 6.709 -9.527 4.993 1.00 0.00 C ATOM 584 OE1 GLU A 42 5.830 -9.266 5.841 1.00 0.00 O ATOM 585 OE2 GLU A 42 7.758 -8.862 4.867 1.00 0.00 O ATOM 0 H GLU A 42 4.841 -12.852 3.896 1.00 0.00 H new ATOM 0 HA GLU A 42 4.384 -11.357 1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.892 -9.684 2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.588 -9.971 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.152 -11.565 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.438 -10.991 3.613 1.00 0.00 H new ATOM 592 N PHE A 43 6.563 -13.548 1.986 1.00 0.00 N ATOM 593 CA PHE A 43 7.711 -14.289 1.475 1.00 0.00 C ATOM 594 C PHE A 43 7.472 -14.738 0.036 1.00 0.00 C ATOM 595 O PHE A 43 8.416 -14.958 -0.722 1.00 0.00 O ATOM 596 CB PHE A 43 7.996 -15.504 2.359 1.00 0.00 C ATOM 597 CG PHE A 43 8.630 -15.153 3.675 1.00 0.00 C ATOM 598 CD1 PHE A 43 8.042 -14.223 4.516 1.00 0.00 C ATOM 599 CD2 PHE A 43 9.815 -15.754 4.069 1.00 0.00 C ATOM 600 CE1 PHE A 43 8.624 -13.897 5.727 1.00 0.00 C ATOM 601 CE2 PHE A 43 10.400 -15.433 5.279 1.00 0.00 C ATOM 602 CZ PHE A 43 9.805 -14.503 6.109 1.00 0.00 C ATOM 0 H PHE A 43 6.010 -14.052 2.679 1.00 0.00 H new ATOM 0 HA PHE A 43 8.576 -13.626 1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.062 -16.035 2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.651 -16.189 1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.118 -13.747 4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.286 -16.481 3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.156 -13.169 6.373 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.323 -15.909 5.576 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.262 -14.250 7.054 1.00 0.00 H new ATOM 612 N SER A 44 6.202 -14.871 -0.333 1.00 0.00 N ATOM 613 CA SER A 44 5.837 -15.298 -1.679 1.00 0.00 C ATOM 614 C SER A 44 5.716 -14.099 -2.614 1.00 0.00 C ATOM 615 O SER A 44 6.200 -14.129 -3.746 1.00 0.00 O ATOM 616 CB SER A 44 4.519 -16.073 -1.651 1.00 0.00 C ATOM 617 OG SER A 44 4.442 -16.908 -0.509 1.00 0.00 O ATOM 0 H SER A 44 5.408 -14.689 0.281 1.00 0.00 H new ATOM 0 HA SER A 44 6.625 -15.951 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.683 -15.374 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.430 -16.677 -2.554 1.00 0.00 H new ATOM 0 HG SER A 44 3.589 -17.391 -0.514 1.00 0.00 H new ATOM 623 N ILE A 45 5.065 -13.045 -2.133 1.00 0.00 N ATOM 624 CA ILE A 45 4.880 -11.835 -2.925 1.00 0.00 C ATOM 625 C ILE A 45 6.196 -11.375 -3.542 1.00 0.00 C ATOM 626 O ILE A 45 7.150 -11.059 -2.831 1.00 0.00 O ATOM 627 CB ILE A 45 4.296 -10.690 -2.077 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.983 -11.129 -1.423 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.079 -9.453 -2.934 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.308 -10.033 -0.630 1.00 0.00 C ATOM 0 H ILE A 45 4.657 -13.004 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 45 4.176 -12.083 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 45 5.008 -10.442 -1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.300 -11.480 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.180 -11.975 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.666 -8.653 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.031 -9.132 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.384 -9.687 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.384 -10.415 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.973 -9.698 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.080 -9.195 -1.289 1.00 0.00 H new ATOM 642 N SER A 46 6.241 -11.339 -4.870 1.00 0.00 N ATOM 643 CA SER A 46 7.441 -10.920 -5.583 1.00 0.00 C ATOM 644 C SER A 46 7.783 -9.467 -5.265 1.00 0.00 C ATOM 645 O SER A 46 8.947 -9.121 -5.063 1.00 0.00 O ATOM 646 CB SER A 46 7.250 -11.092 -7.092 1.00 0.00 C ATOM 647 OG SER A 46 7.428 -12.444 -7.477 1.00 0.00 O ATOM 0 H SER A 46 5.460 -11.595 -5.474 1.00 0.00 H new ATOM 0 HA SER A 46 8.267 -11.550 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.252 -10.758 -7.376 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.961 -10.462 -7.626 1.00 0.00 H new ATOM 0 HG SER A 46 7.299 -12.528 -8.445 1.00 0.00 H new ATOM 653 N SER A 47 6.758 -8.621 -5.222 1.00 0.00 N ATOM 654 CA SER A 47 6.949 -7.205 -4.932 1.00 0.00 C ATOM 655 C SER A 47 5.619 -6.535 -4.600 1.00 0.00 C ATOM 656 O SER A 47 4.552 -7.044 -4.942 1.00 0.00 O ATOM 657 CB SER A 47 7.603 -6.502 -6.123 1.00 0.00 C ATOM 658 OG SER A 47 6.909 -6.785 -7.326 1.00 0.00 O ATOM 0 H SER A 47 5.788 -8.892 -5.384 1.00 0.00 H new ATOM 0 HA SER A 47 7.605 -7.122 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.616 -5.426 -5.952 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.641 -6.823 -6.214 1.00 0.00 H new ATOM 0 HG SER A 47 7.345 -6.323 -8.072 1.00 0.00 H new ATOM 664 N TYR A 48 5.692 -5.390 -3.931 1.00 0.00 N ATOM 665 CA TYR A 48 4.495 -4.650 -3.549 1.00 0.00 C ATOM 666 C TYR A 48 4.302 -3.428 -4.442 1.00 0.00 C ATOM 667 O TYR A 48 5.257 -2.912 -5.020 1.00 0.00 O ATOM 668 CB TYR A 48 4.582 -4.217 -2.085 1.00 0.00 C ATOM 669 CG TYR A 48 3.999 -5.224 -1.119 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.624 -5.400 -1.015 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.821 -5.999 -0.311 1.00 0.00 C ATOM 672 CE1 TYR A 48 2.086 -6.318 -0.135 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.292 -6.920 0.572 1.00 0.00 C ATOM 674 CZ TYR A 48 2.924 -7.076 0.656 1.00 0.00 C ATOM 675 OH TYR A 48 2.393 -7.992 1.535 1.00 0.00 O ATOM 0 H TYR A 48 6.568 -4.954 -3.642 1.00 0.00 H new ATOM 0 HA TYR A 48 3.636 -5.309 -3.675 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.627 -4.043 -1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.061 -3.267 -1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.965 -4.808 -1.633 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.892 -5.879 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.015 -6.442 -0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.946 -7.515 1.193 1.00 0.00 H new ATOM 0 HH TYR A 48 3.116 -8.520 1.933 1.00 0.00 H new ATOM 685 N GLU A 49 3.058 -2.971 -4.548 1.00 0.00 N ATOM 686 CA GLU A 49 2.739 -1.810 -5.370 1.00 0.00 C ATOM 687 C GLU A 49 1.859 -0.826 -4.604 1.00 0.00 C ATOM 688 O GLU A 49 0.801 -1.191 -4.090 1.00 0.00 O ATOM 689 CB GLU A 49 2.035 -2.246 -6.656 1.00 0.00 C ATOM 690 CG GLU A 49 2.280 -1.313 -7.830 1.00 0.00 C ATOM 691 CD GLU A 49 3.499 -1.704 -8.642 1.00 0.00 C ATOM 692 OE1 GLU A 49 3.903 -2.884 -8.573 1.00 0.00 O ATOM 693 OE2 GLU A 49 4.050 -0.832 -9.345 1.00 0.00 O ATOM 0 H GLU A 49 2.256 -3.387 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 49 3.673 -1.311 -5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.371 -3.248 -6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.963 -2.309 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.403 -1.311 -8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.406 -0.295 -7.460 1.00 0.00 H new ATOM 700 N LEU A 50 2.304 0.424 -4.530 1.00 0.00 N ATOM 701 CA LEU A 50 1.559 1.461 -3.827 1.00 0.00 C ATOM 702 C LEU A 50 0.635 2.210 -4.781 1.00 0.00 C ATOM 703 O LEU A 50 0.936 2.355 -5.966 1.00 0.00 O ATOM 704 CB LEU A 50 2.521 2.443 -3.156 1.00 0.00 C ATOM 705 CG LEU A 50 1.932 3.302 -2.037 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.520 2.434 -0.858 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.931 4.363 -1.597 1.00 0.00 C ATOM 0 H LEU A 50 3.178 0.743 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 50 0.949 0.979 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.360 1.878 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.924 3.106 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 50 1.044 3.804 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.103 3.063 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.770 1.713 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.392 1.904 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.495 4.965 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.838 3.880 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.177 5.005 -2.443 1.00 0.00 H new ATOM 719 N GLN A 51 -0.490 2.686 -4.257 1.00 0.00 N ATOM 720 CA GLN A 51 -1.457 3.421 -5.063 1.00 0.00 C ATOM 721 C GLN A 51 -2.134 4.513 -4.240 1.00 0.00 C ATOM 722 O GLN A 51 -2.871 4.226 -3.297 1.00 0.00 O ATOM 723 CB GLN A 51 -2.510 2.468 -5.631 1.00 0.00 C ATOM 724 CG GLN A 51 -1.921 1.323 -6.440 1.00 0.00 C ATOM 725 CD GLN A 51 -2.966 0.586 -7.254 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.137 0.964 -7.270 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.546 -0.473 -7.937 1.00 0.00 N ATOM 0 H GLN A 51 -0.754 2.576 -3.278 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.921 3.892 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.097 2.057 -4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.196 3.033 -6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.153 1.713 -7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.430 0.621 -5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.566 -0.751 -7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.204 -1.008 -8.504 1.00 0.00 H new ATOM 736 N TYR A 52 -1.879 5.765 -4.604 1.00 0.00 N ATOM 737 CA TYR A 52 -2.461 6.900 -3.898 1.00 0.00 C ATOM 738 C TYR A 52 -2.941 7.964 -4.879 1.00 0.00 C ATOM 739 O TYR A 52 -2.587 7.944 -6.059 1.00 0.00 O ATOM 740 CB TYR A 52 -1.441 7.504 -2.931 1.00 0.00 C ATOM 741 CG TYR A 52 -0.165 7.958 -3.604 1.00 0.00 C ATOM 742 CD1 TYR A 52 0.824 7.046 -3.950 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.050 9.300 -3.894 1.00 0.00 C ATOM 744 CE1 TYR A 52 1.992 7.457 -4.564 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.214 9.720 -4.509 1.00 0.00 C ATOM 746 CZ TYR A 52 2.182 8.795 -4.841 1.00 0.00 C ATOM 747 OH TYR A 52 3.343 9.208 -5.454 1.00 0.00 O ATOM 0 H TYR A 52 -1.273 6.019 -5.384 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.320 6.541 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.895 8.353 -2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.196 6.767 -2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.678 5.998 -3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.705 10.027 -3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.751 6.735 -4.825 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.365 10.767 -4.729 1.00 0.00 H new ATOM 0 HH TYR A 52 3.319 10.180 -5.579 1.00 0.00 H new ATOM 757 N THR A 53 -3.750 8.896 -4.383 1.00 0.00 N ATOM 758 CA THR A 53 -4.280 9.969 -5.214 1.00 0.00 C ATOM 759 C THR A 53 -4.937 11.050 -4.364 1.00 0.00 C ATOM 760 O THR A 53 -5.509 10.763 -3.312 1.00 0.00 O ATOM 761 CB THR A 53 -5.307 9.437 -6.231 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.623 10.456 -7.187 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.577 8.982 -5.530 1.00 0.00 C ATOM 0 H THR A 53 -4.052 8.929 -3.409 1.00 0.00 H new ATOM 0 HA THR A 53 -3.435 10.398 -5.752 1.00 0.00 H new ATOM 0 HB THR A 53 -4.867 8.581 -6.744 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.275 10.109 -7.831 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.287 8.610 -6.269 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.338 8.186 -4.824 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.018 9.822 -4.994 1.00 0.00 H new ATOM 771 N ILE A 54 -4.851 12.293 -4.825 1.00 0.00 N ATOM 772 CA ILE A 54 -5.439 13.417 -4.106 1.00 0.00 C ATOM 773 C ILE A 54 -6.962 13.384 -4.186 1.00 0.00 C ATOM 774 O ILE A 54 -7.541 13.526 -5.263 1.00 0.00 O ATOM 775 CB ILE A 54 -4.936 14.763 -4.658 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.448 14.942 -4.351 1.00 0.00 C ATOM 777 CG2 ILE A 54 -5.745 15.911 -4.072 1.00 0.00 C ATOM 778 CD1 ILE A 54 -2.757 15.931 -5.264 1.00 0.00 C ATOM 0 H ILE A 54 -4.380 12.548 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.130 13.323 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.067 14.766 -5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.336 15.273 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.950 13.976 -4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.378 16.856 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.795 15.789 -4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.642 15.912 -2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.705 16.007 -4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.838 15.591 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.230 16.908 -5.166 1.00 0.00 H new ATOM 790 N PHE A 55 -7.605 13.196 -3.039 1.00 0.00 N ATOM 791 CA PHE A 55 -9.061 13.146 -2.978 1.00 0.00 C ATOM 792 C PHE A 55 -9.643 14.533 -2.724 1.00 0.00 C ATOM 793 O PHE A 55 -9.479 15.100 -1.644 1.00 0.00 O ATOM 794 CB PHE A 55 -9.514 12.182 -1.879 1.00 0.00 C ATOM 795 CG PHE A 55 -10.994 11.926 -1.878 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.868 12.848 -1.326 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.510 10.765 -2.429 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.231 12.615 -1.323 1.00 0.00 C ATOM 799 CE2 PHE A 55 -12.872 10.526 -2.429 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.733 11.454 -1.876 1.00 0.00 C ATOM 0 H PHE A 55 -7.141 13.076 -2.139 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.427 12.788 -3.940 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.990 11.234 -2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.223 12.586 -0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.481 13.759 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.841 10.038 -2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.902 13.341 -0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.262 9.616 -2.860 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.797 11.271 -1.876 1.00 0.00 H new ATOM 1050 N MET A 72 -1.473 7.278 -8.719 1.00 0.00 N ATOM 1051 CA MET A 72 -0.016 7.212 -8.755 1.00 0.00 C ATOM 1052 C MET A 72 0.481 5.872 -8.223 1.00 0.00 C ATOM 1053 O MET A 72 -0.006 5.378 -7.206 1.00 0.00 O ATOM 1054 CB MET A 72 0.588 8.355 -7.937 1.00 0.00 C ATOM 1055 CG MET A 72 0.843 9.615 -8.748 1.00 0.00 C ATOM 1056 SD MET A 72 -0.566 10.740 -8.744 1.00 0.00 S ATOM 1057 CE MET A 72 -0.725 11.077 -6.992 1.00 0.00 C ATOM 0 HA MET A 72 0.302 7.311 -9.793 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.083 8.594 -7.112 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.527 8.019 -7.498 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.716 10.130 -8.347 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.080 9.339 -9.776 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.407 11.914 -6.843 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.117 10.195 -6.486 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.252 11.328 -6.580 1.00 0.00 H new ATOM 1067 N ILE A 73 1.452 5.288 -8.918 1.00 0.00 N ATOM 1068 CA ILE A 73 2.014 4.005 -8.514 1.00 0.00 C ATOM 1069 C ILE A 73 3.525 4.102 -8.326 1.00 0.00 C ATOM 1070 O ILE A 73 4.207 4.820 -9.057 1.00 0.00 O ATOM 1071 CB ILE A 73 1.705 2.905 -9.546 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.207 2.870 -9.853 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.179 1.552 -9.036 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.216 3.864 -10.911 1.00 0.00 C ATOM 0 H ILE A 73 1.865 5.683 -9.763 1.00 0.00 H new ATOM 0 HA ILE A 73 1.548 3.741 -7.564 1.00 0.00 H new ATOM 0 HB ILE A 73 2.240 3.131 -10.468 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.065 1.866 -10.179 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.348 3.069 -8.936 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.954 0.785 -9.777 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.255 1.585 -8.863 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.669 1.316 -8.102 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.290 3.783 -11.077 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.025 4.874 -10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.312 3.652 -11.841 1.00 0.00 H new ATOM 1086 N VAL A 74 4.041 3.372 -7.343 1.00 0.00 N ATOM 1087 CA VAL A 74 5.472 3.372 -7.061 1.00 0.00 C ATOM 1088 C VAL A 74 5.998 1.952 -6.888 1.00 0.00 C ATOM 1089 O VAL A 74 5.960 1.378 -5.800 1.00 0.00 O ATOM 1090 CB VAL A 74 5.794 4.186 -5.794 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.260 4.032 -5.419 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.437 5.650 -5.996 1.00 0.00 C ATOM 0 H VAL A 74 3.490 2.773 -6.728 1.00 0.00 H new ATOM 0 HA VAL A 74 5.963 3.836 -7.916 1.00 0.00 H new ATOM 0 HB VAL A 74 5.191 3.800 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.469 4.614 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.479 2.981 -5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.884 4.390 -6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.671 6.210 -5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.011 6.053 -6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.372 5.738 -6.212 1.00 0.00 H new ATOM 1102 N PRO A 75 6.503 1.370 -7.986 1.00 0.00 N ATOM 1103 CA PRO A 75 7.048 0.009 -7.981 1.00 0.00 C ATOM 1104 C PRO A 75 8.359 -0.087 -7.209 1.00 0.00 C ATOM 1105 O PRO A 75 8.851 0.907 -6.677 1.00 0.00 O ATOM 1106 CB PRO A 75 7.279 -0.286 -9.465 1.00 0.00 C ATOM 1107 CG PRO A 75 7.456 1.053 -10.094 1.00 0.00 C ATOM 1108 CD PRO A 75 6.580 1.995 -9.317 1.00 0.00 C ATOM 0 HA PRO A 75 6.377 -0.697 -7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.159 -0.912 -9.612 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.433 -0.819 -9.899 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.499 1.368 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.169 1.031 -11.145 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.011 2.995 -9.267 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.594 2.095 -9.772 1.00 0.00 H new ATOM 1116 N ASN A 76 8.920 -1.291 -7.152 1.00 0.00 N ATOM 1117 CA ASN A 76 10.175 -1.516 -6.444 1.00 0.00 C ATOM 1118 C ASN A 76 10.015 -1.242 -4.951 1.00 0.00 C ATOM 1119 O ASN A 76 10.839 -0.559 -4.343 1.00 0.00 O ATOM 1120 CB ASN A 76 11.278 -0.626 -7.021 1.00 0.00 C ATOM 1121 CG ASN A 76 11.558 -0.926 -8.481 1.00 0.00 C ATOM 1122 OD1 ASN A 76 11.741 -2.082 -8.865 1.00 0.00 O ATOM 1123 ND2 ASN A 76 11.592 0.116 -9.303 1.00 0.00 N ATOM 0 H ASN A 76 8.526 -2.125 -7.587 1.00 0.00 H new ATOM 0 HA ASN A 76 10.454 -2.561 -6.576 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.989 0.420 -6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.192 -0.763 -6.443 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.775 -0.024 -10.297 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.435 1.057 -8.941 1.00 0.00 H new ATOM 1130 N ILE A 77 8.949 -1.780 -4.368 1.00 0.00 N ATOM 1131 CA ILE A 77 8.681 -1.595 -2.947 1.00 0.00 C ATOM 1132 C ILE A 77 8.941 -2.880 -2.167 1.00 0.00 C ATOM 1133 O ILE A 77 8.119 -3.796 -2.166 1.00 0.00 O ATOM 1134 CB ILE A 77 7.230 -1.143 -2.702 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.913 0.103 -3.531 1.00 0.00 C ATOM 1136 CG2 ILE A 77 7.002 -0.873 -1.222 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.537 0.672 -3.265 1.00 0.00 C ATOM 0 H ILE A 77 8.257 -2.347 -4.858 1.00 0.00 H new ATOM 0 HA ILE A 77 9.359 -0.817 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 77 6.559 -1.943 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.660 0.868 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.997 -0.144 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.972 -0.554 -1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.191 -1.783 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.680 -0.088 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.381 1.553 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.781 -0.077 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.455 0.951 -2.214 1.00 0.00 H new ATOM 1149 N LYS A 78 10.090 -2.939 -1.502 1.00 0.00 N ATOM 1150 CA LYS A 78 10.459 -4.110 -0.714 1.00 0.00 C ATOM 1151 C LYS A 78 10.455 -3.785 0.776 1.00 0.00 C ATOM 1152 O LYS A 78 11.349 -4.202 1.512 1.00 0.00 O ATOM 1153 CB LYS A 78 11.840 -4.617 -1.134 1.00 0.00 C ATOM 1154 CG LYS A 78 11.898 -5.108 -2.570 1.00 0.00 C ATOM 1155 CD LYS A 78 11.494 -6.569 -2.677 1.00 0.00 C ATOM 1156 CE LYS A 78 11.622 -7.079 -4.104 1.00 0.00 C ATOM 1157 NZ LYS A 78 13.044 -7.286 -4.494 1.00 0.00 N ATOM 0 H LYS A 78 10.782 -2.190 -1.493 1.00 0.00 H new ATOM 0 HA LYS A 78 9.721 -4.890 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.567 -3.815 -1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.137 -5.428 -0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.238 -4.501 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.908 -4.980 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.120 -7.170 -2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.465 -6.689 -2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.078 -8.018 -4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.158 -6.367 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.086 -7.697 -5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.542 -6.373 -4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.499 -7.932 -3.818 1.00 0.00 H new ATOM 1171 N GLN A 79 9.444 -3.042 1.213 1.00 0.00 N ATOM 1172 CA GLN A 79 9.325 -2.663 2.616 1.00 0.00 C ATOM 1173 C GLN A 79 7.874 -2.738 3.079 1.00 0.00 C ATOM 1174 O GLN A 79 6.962 -2.906 2.270 1.00 0.00 O ATOM 1175 CB GLN A 79 9.869 -1.250 2.833 1.00 0.00 C ATOM 1176 CG GLN A 79 9.213 -0.203 1.948 1.00 0.00 C ATOM 1177 CD GLN A 79 10.089 1.017 1.740 1.00 0.00 C ATOM 1178 OE1 GLN A 79 11.216 1.078 2.232 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.574 1.997 1.006 1.00 0.00 N ATOM 0 H GLN A 79 8.695 -2.690 0.616 1.00 0.00 H new ATOM 0 HA GLN A 79 9.913 -3.366 3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.727 -0.971 3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.943 -1.250 2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.978 -0.646 0.980 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.268 0.105 2.395 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.635 1.904 0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 79 10.117 2.842 0.831 1.00 0.00 H new ATOM 1188 N ASN A 80 7.668 -2.613 4.386 1.00 0.00 N ATOM 1189 CA ASN A 80 6.327 -2.668 4.957 1.00 0.00 C ATOM 1190 C ASN A 80 5.773 -1.264 5.181 1.00 0.00 C ATOM 1191 O ASN A 80 4.792 -1.079 5.902 1.00 0.00 O ATOM 1192 CB ASN A 80 6.344 -3.438 6.279 1.00 0.00 C ATOM 1193 CG ASN A 80 6.718 -4.896 6.093 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.890 -5.229 5.913 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.722 -5.773 6.136 1.00 0.00 N ATOM 0 H ASN A 80 8.412 -2.473 5.069 1.00 0.00 H new ATOM 0 HA ASN A 80 5.679 -3.187 4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.052 -2.968 6.961 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.361 -3.374 6.746 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.913 -6.768 6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.766 -5.452 6.288 1.00 0.00 H new ATOM 1202 N HIS A 81 6.409 -0.276 4.558 1.00 0.00 N ATOM 1203 CA HIS A 81 5.980 1.112 4.688 1.00 0.00 C ATOM 1204 C HIS A 81 6.755 2.012 3.732 1.00 0.00 C ATOM 1205 O HIS A 81 7.983 2.090 3.794 1.00 0.00 O ATOM 1206 CB HIS A 81 6.169 1.593 6.127 1.00 0.00 C ATOM 1207 CG HIS A 81 7.450 1.131 6.750 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.498 0.215 7.780 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.735 1.460 6.482 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.757 0.004 8.120 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.528 0.747 7.347 1.00 0.00 N ATOM 0 H HIS A 81 7.223 -0.411 3.958 1.00 0.00 H new ATOM 0 HA HIS A 81 4.922 1.165 4.431 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.139 2.682 6.144 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.333 1.241 6.732 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.074 2.155 5.728 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.098 -0.663 8.898 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.547 0.785 7.386 1.00 0.00 H new ATOM 1220 N TYR A 82 6.032 2.690 2.848 1.00 0.00 N ATOM 1221 CA TYR A 82 6.652 3.583 1.876 1.00 0.00 C ATOM 1222 C TYR A 82 6.291 5.037 2.164 1.00 0.00 C ATOM 1223 O TYR A 82 5.128 5.432 2.068 1.00 0.00 O ATOM 1224 CB TYR A 82 6.218 3.208 0.458 1.00 0.00 C ATOM 1225 CG TYR A 82 6.859 4.058 -0.616 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.582 5.416 -0.712 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.741 3.503 -1.534 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.164 6.196 -1.692 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.329 4.276 -2.517 1.00 0.00 C ATOM 1230 CZ TYR A 82 8.038 5.622 -2.591 1.00 0.00 C ATOM 1231 OH TYR A 82 8.621 6.395 -3.569 1.00 0.00 O ATOM 0 H TYR A 82 5.015 2.638 2.784 1.00 0.00 H new ATOM 0 HA TYR A 82 7.733 3.474 1.958 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.464 2.162 0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.134 3.299 0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.900 5.870 -0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.971 2.449 -1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.936 7.250 -1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.013 3.829 -3.223 1.00 0.00 H new ATOM 0 HH TYR A 82 9.211 5.838 -4.118 1.00 0.00 H new ATOM 1241 N THR A 83 7.297 5.832 2.516 1.00 0.00 N ATOM 1242 CA THR A 83 7.087 7.242 2.818 1.00 0.00 C ATOM 1243 C THR A 83 6.952 8.064 1.541 1.00 0.00 C ATOM 1244 O THR A 83 7.911 8.214 0.784 1.00 0.00 O ATOM 1245 CB THR A 83 8.241 7.813 3.663 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.363 7.078 4.886 1.00 0.00 O ATOM 1247 CG2 THR A 83 8.010 9.285 3.971 1.00 0.00 C ATOM 0 H THR A 83 8.265 5.523 2.599 1.00 0.00 H new ATOM 0 HA THR A 83 6.161 7.308 3.389 1.00 0.00 H new ATOM 0 HB THR A 83 9.163 7.719 3.089 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.597 7.276 5.464 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.838 9.666 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.947 9.846 3.039 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.079 9.399 4.527 1.00 0.00 H new ATOM 1255 N VAL A 84 5.756 8.595 1.309 1.00 0.00 N ATOM 1256 CA VAL A 84 5.497 9.404 0.124 1.00 0.00 C ATOM 1257 C VAL A 84 5.881 10.861 0.358 1.00 0.00 C ATOM 1258 O VAL A 84 5.253 11.559 1.155 1.00 0.00 O ATOM 1259 CB VAL A 84 4.015 9.335 -0.289 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.768 10.171 -1.535 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.591 7.892 -0.513 1.00 0.00 C ATOM 0 H VAL A 84 4.952 8.480 1.925 1.00 0.00 H new ATOM 0 HA VAL A 84 6.110 8.995 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 84 3.411 9.746 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.715 10.110 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.031 11.210 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.381 9.794 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.541 7.862 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.199 7.453 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.728 7.325 0.408 1.00 0.00 H new ATOM 1271 N HIS A 85 6.916 11.314 -0.342 1.00 0.00 N ATOM 1272 CA HIS A 85 7.383 12.690 -0.212 1.00 0.00 C ATOM 1273 C HIS A 85 6.883 13.546 -1.371 1.00 0.00 C ATOM 1274 O HIS A 85 6.797 13.082 -2.507 1.00 0.00 O ATOM 1275 CB HIS A 85 8.911 12.728 -0.156 1.00 0.00 C ATOM 1276 CG HIS A 85 9.465 12.556 1.224 1.00 0.00 C ATOM 1277 ND1 HIS A 85 9.907 13.611 1.994 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.645 11.444 1.974 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.337 13.155 3.157 1.00 0.00 C ATOM 1280 NE2 HIS A 85 10.188 11.842 3.170 1.00 0.00 N ATOM 0 H HIS A 85 7.447 10.749 -1.005 1.00 0.00 H new ATOM 0 HA HIS A 85 6.982 13.098 0.716 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.309 11.943 -0.799 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.258 13.679 -0.562 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.406 10.431 1.685 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.741 13.753 3.960 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.436 11.225 3.943 1.00 0.00 H new ATOM 1289 N GLY A 86 6.552 14.799 -1.076 1.00 0.00 N ATOM 1290 CA GLY A 86 6.064 15.700 -2.103 1.00 0.00 C ATOM 1291 C GLY A 86 4.550 15.764 -2.146 1.00 0.00 C ATOM 1292 O GLY A 86 3.952 15.791 -3.223 1.00 0.00 O ATOM 0 H GLY A 86 6.613 15.207 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.462 16.699 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.439 15.376 -3.074 1.00 0.00 H new ATOM 1296 N LEU A 87 3.927 15.786 -0.973 1.00 0.00 N ATOM 1297 CA LEU A 87 2.472 15.846 -0.880 1.00 0.00 C ATOM 1298 C LEU A 87 2.006 17.256 -0.534 1.00 0.00 C ATOM 1299 O LEU A 87 2.816 18.128 -0.219 1.00 0.00 O ATOM 1300 CB LEU A 87 1.968 14.857 0.173 1.00 0.00 C ATOM 1301 CG LEU A 87 2.312 13.387 -0.069 1.00 0.00 C ATOM 1302 CD1 LEU A 87 2.089 12.572 1.196 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.486 12.828 -1.218 1.00 0.00 C ATOM 0 H LEU A 87 4.406 15.763 -0.073 1.00 0.00 H new ATOM 0 HA LEU A 87 2.059 15.575 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.374 15.150 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.884 14.950 0.240 1.00 0.00 H new ATOM 0 HG LEU A 87 3.366 13.320 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.339 11.528 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.724 12.957 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.044 12.646 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.744 11.781 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.426 12.908 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.695 13.394 -2.126 1.00 0.00 H new ATOM 1315 N GLN A 88 0.696 17.472 -0.593 1.00 0.00 N ATOM 1316 CA GLN A 88 0.122 18.776 -0.284 1.00 0.00 C ATOM 1317 C GLN A 88 -0.277 18.861 1.186 1.00 0.00 C ATOM 1318 O GLN A 88 -0.842 17.919 1.741 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.094 19.045 -1.171 1.00 0.00 C ATOM 1320 CG GLN A 88 -0.785 18.997 -2.659 1.00 0.00 C ATOM 1321 CD GLN A 88 0.474 19.761 -3.018 1.00 0.00 C ATOM 1322 OE1 GLN A 88 0.832 20.737 -2.357 1.00 0.00 O ATOM 1323 NE2 GLN A 88 1.155 19.321 -4.070 1.00 0.00 N ATOM 0 H GLN A 88 0.012 16.761 -0.852 1.00 0.00 H new ATOM 0 HA GLN A 88 0.880 19.534 -0.480 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.867 18.311 -0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.503 20.025 -0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.676 17.958 -2.970 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.627 19.410 -3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.822 18.509 -4.589 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.011 19.796 -4.359 1.00 0.00 H new ATOM 1332 N SER A 89 0.021 19.996 1.810 1.00 0.00 N ATOM 1333 CA SER A 89 -0.303 20.202 3.217 1.00 0.00 C ATOM 1334 C SER A 89 -1.808 20.362 3.410 1.00 0.00 C ATOM 1335 O SER A 89 -2.505 20.885 2.541 1.00 0.00 O ATOM 1336 CB SER A 89 0.425 21.436 3.755 1.00 0.00 C ATOM 1337 OG SER A 89 0.114 22.586 2.988 1.00 0.00 O ATOM 0 H SER A 89 0.486 20.787 1.364 1.00 0.00 H new ATOM 0 HA SER A 89 0.026 19.324 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.145 21.602 4.795 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.501 21.264 3.738 1.00 0.00 H new ATOM 0 HG SER A 89 0.590 23.361 3.353 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.303 19.908 4.557 1.00 0.00 N ATOM 1344 CA GLY A 90 -3.722 20.009 4.845 1.00 0.00 C ATOM 1345 C GLY A 90 -4.583 19.580 3.674 1.00 0.00 C ATOM 1346 O GLY A 90 -5.422 20.344 3.195 1.00 0.00 O ATOM 0 H GLY A 90 -1.747 19.472 5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.959 19.391 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.963 21.038 5.112 1.00 0.00 H new ATOM 1350 N THR A 91 -4.376 18.352 3.208 1.00 0.00 N ATOM 1351 CA THR A 91 -5.137 17.822 2.084 1.00 0.00 C ATOM 1352 C THR A 91 -5.372 16.324 2.236 1.00 0.00 C ATOM 1353 O THR A 91 -4.569 15.619 2.848 1.00 0.00 O ATOM 1354 CB THR A 91 -4.420 18.085 0.746 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.382 19.491 0.478 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.123 17.365 -0.395 1.00 0.00 C ATOM 0 H THR A 91 -3.687 17.706 3.592 1.00 0.00 H new ATOM 0 HA THR A 91 -6.097 18.339 2.081 1.00 0.00 H new ATOM 0 HB THR A 91 -3.402 17.703 0.824 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.794 19.932 1.126 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.599 17.565 -1.329 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.124 16.292 -0.202 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.150 17.721 -0.472 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.477 15.843 1.675 1.00 0.00 N ATOM 1365 CA ARG A 92 -6.817 14.427 1.749 1.00 0.00 C ATOM 1366 C ARG A 92 -5.924 13.604 0.825 1.00 0.00 C ATOM 1367 O ARG A 92 -5.468 14.091 -0.210 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.286 14.213 1.379 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.259 14.729 2.426 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.555 13.933 2.422 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.640 14.649 3.087 1.00 0.00 N ATOM 1372 CZ ARG A 92 -12.240 15.716 2.572 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -11.864 16.187 1.391 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -13.220 16.314 3.237 1.00 0.00 N ATOM 0 H ARG A 92 -7.152 16.413 1.165 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.655 14.094 2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.489 14.710 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.462 13.148 1.225 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.798 14.671 3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.476 15.780 2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.842 13.714 1.394 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.394 12.976 2.919 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.954 14.311 3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.112 15.730 0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.327 17.007 0.998 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.514 15.954 4.145 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.680 17.133 2.840 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.678 12.356 1.207 1.00 0.00 N ATOM 1389 CA TYR A 93 -4.837 11.466 0.415 1.00 0.00 C ATOM 1390 C TYR A 93 -5.206 10.006 0.659 1.00 0.00 C ATOM 1391 O TYR A 93 -5.125 9.514 1.784 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.361 11.693 0.749 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.719 12.795 -0.062 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.155 12.532 -1.305 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.676 14.100 0.413 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -1.567 13.536 -2.049 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -2.091 15.111 -0.325 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.537 14.823 -1.555 1.00 0.00 C ATOM 1399 OH TYR A 93 -0.953 15.827 -2.294 1.00 0.00 O ATOM 0 H TYR A 93 -6.049 11.938 2.060 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.004 11.693 -0.638 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.270 11.933 1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.813 10.765 0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.177 11.525 -1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.108 14.328 1.376 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.133 13.314 -3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.068 16.120 0.059 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.612 15.458 -3.136 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.613 9.320 -0.404 1.00 0.00 N ATOM 1410 CA ILE A 94 -5.993 7.916 -0.307 1.00 0.00 C ATOM 1411 C ILE A 94 -4.822 7.004 -0.654 1.00 0.00 C ATOM 1412 O ILE A 94 -3.906 7.398 -1.375 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.177 7.589 -1.236 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.459 8.241 -0.714 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.354 6.082 -1.357 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.655 8.031 -1.617 1.00 0.00 C ATOM 0 H ILE A 94 -5.688 9.714 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.292 7.740 0.726 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.965 7.992 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.685 7.840 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.289 9.311 -0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.194 5.866 -2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.446 5.641 -1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.548 5.658 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.528 8.520 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.449 8.458 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.851 6.964 -1.719 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.859 5.781 -0.136 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.800 4.810 -0.390 1.00 0.00 C ATOM 1430 C PHE A 95 -4.379 3.411 -0.576 1.00 0.00 C ATOM 1431 O PHE A 95 -5.348 3.035 0.085 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.792 4.809 0.761 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.027 6.095 0.888 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -0.868 6.303 0.157 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -2.466 7.096 1.739 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -0.162 7.485 0.273 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -1.764 8.281 1.859 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.611 8.476 1.125 1.00 0.00 C ATOM 0 H PHE A 95 -5.611 5.438 0.462 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.290 5.098 -1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.319 4.615 1.695 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.088 3.989 0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.513 5.532 -0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.367 6.949 2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.740 7.634 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.117 9.053 2.526 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.061 9.401 1.217 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.779 2.644 -1.480 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.234 1.286 -1.753 1.00 0.00 C ATOM 1450 C ILE A 96 -3.065 0.379 -2.123 1.00 0.00 C ATOM 1451 O ILE A 96 -2.525 0.464 -3.226 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.272 1.258 -2.890 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.620 1.782 -2.392 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.416 -0.153 -3.440 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.596 2.093 -3.505 1.00 0.00 C ATOM 0 H ILE A 96 -2.977 2.940 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.700 0.919 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.926 1.907 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.065 1.042 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.455 2.684 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.153 -0.157 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.455 -0.492 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.743 -0.822 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.530 2.460 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.172 2.855 -4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.791 1.189 -4.081 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.681 -0.491 -1.195 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.579 -1.417 -1.425 1.00 0.00 C ATOM 1469 C VAL A 97 -2.053 -2.666 -2.160 1.00 0.00 C ATOM 1470 O VAL A 97 -3.041 -3.291 -1.771 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.912 -1.836 -0.101 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.090 -2.955 -0.338 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.243 -0.641 0.560 1.00 0.00 C ATOM 0 H VAL A 97 -3.117 -0.574 -0.277 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.849 -0.892 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.684 -2.209 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.551 -3.237 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.422 -3.818 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.861 -2.613 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.223 -0.955 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.518 -0.235 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.990 0.125 0.767 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.344 -3.025 -3.224 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.690 -4.200 -4.014 1.00 0.00 C ATOM 1485 C LYS A 98 -0.517 -5.172 -4.087 1.00 0.00 C ATOM 1486 O LYS A 98 0.524 -4.861 -4.666 1.00 0.00 O ATOM 1487 CB LYS A 98 -2.111 -3.786 -5.426 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.271 -4.955 -6.381 1.00 0.00 C ATOM 1489 CD LYS A 98 -2.682 -4.490 -7.768 1.00 0.00 C ATOM 1490 CE LYS A 98 -1.487 -3.993 -8.566 1.00 0.00 C ATOM 1491 NZ LYS A 98 -1.903 -3.327 -9.831 1.00 0.00 N ATOM 0 H LYS A 98 -0.525 -2.518 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.525 -4.702 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.054 -3.242 -5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.369 -3.097 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.332 -5.505 -6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.019 -5.645 -5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.161 -5.311 -8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.420 -3.693 -7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.911 -3.294 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.830 -4.832 -8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.084 -3.246 -10.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.645 -3.891 -10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.271 -2.378 -9.619 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.692 -6.350 -3.497 1.00 0.00 N ATOM 1506 CA ALA A 99 0.351 -7.368 -3.499 1.00 0.00 C ATOM 1507 C ALA A 99 0.365 -8.138 -4.815 1.00 0.00 C ATOM 1508 O ALA A 99 -0.676 -8.594 -5.289 1.00 0.00 O ATOM 1509 CB ALA A 99 0.159 -8.322 -2.329 1.00 0.00 C ATOM 0 H ALA A 99 -1.547 -6.623 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 99 1.313 -6.867 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.945 -9.077 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.207 -7.765 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.813 -8.808 -2.412 1.00 0.00 H new ATOM 1515 N ILE A 100 1.549 -8.277 -5.401 1.00 0.00 N ATOM 1516 CA ILE A 100 1.697 -8.992 -6.662 1.00 0.00 C ATOM 1517 C ILE A 100 2.655 -10.170 -6.518 1.00 0.00 C ATOM 1518 O ILE A 100 3.629 -10.102 -5.770 1.00 0.00 O ATOM 1519 CB ILE A 100 2.209 -8.063 -7.779 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.321 -6.822 -7.887 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.254 -8.806 -9.106 1.00 0.00 C ATOM 1522 CD1 ILE A 100 1.723 -5.708 -6.945 1.00 0.00 C ATOM 0 H ILE A 100 2.420 -7.904 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 100 0.708 -9.362 -6.932 1.00 0.00 H new ATOM 0 HB ILE A 100 3.220 -7.742 -7.530 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.353 -6.450 -8.911 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.288 -7.105 -7.683 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.618 -8.137 -9.886 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.923 -9.662 -9.021 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.253 -9.152 -9.363 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.050 -4.860 -7.076 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.664 -6.063 -5.916 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.745 -5.398 -7.164 1.00 0.00 H new ATOM 1534 N ASN A 101 2.371 -11.249 -7.241 1.00 0.00 N ATOM 1535 CA ASN A 101 3.209 -12.442 -7.194 1.00 0.00 C ATOM 1536 C ASN A 101 3.148 -13.201 -8.516 1.00 0.00 C ATOM 1537 O ASN A 101 2.518 -12.751 -9.472 1.00 0.00 O ATOM 1538 CB ASN A 101 2.768 -13.355 -6.048 1.00 0.00 C ATOM 1539 CG ASN A 101 1.363 -13.891 -6.243 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.542 -13.278 -6.926 1.00 0.00 O ATOM 1541 ND2 ASN A 101 1.080 -15.041 -5.642 1.00 0.00 N ATOM 0 H ASN A 101 1.568 -11.322 -7.866 1.00 0.00 H new ATOM 0 HA ASN A 101 4.238 -12.127 -7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.464 -14.190 -5.964 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.816 -12.804 -5.109 1.00 0.00 H new ATOM 0 HD21 ASN A 101 0.151 -15.451 -5.737 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.792 -15.514 -5.086 1.00 0.00 H new ATOM 1548 N GLN A 102 3.806 -14.355 -8.560 1.00 0.00 N ATOM 1549 CA GLN A 102 3.826 -15.177 -9.765 1.00 0.00 C ATOM 1550 C GLN A 102 2.413 -15.570 -10.179 1.00 0.00 C ATOM 1551 O GLN A 102 2.116 -15.695 -11.367 1.00 0.00 O ATOM 1552 CB GLN A 102 4.671 -16.431 -9.537 1.00 0.00 C ATOM 1553 CG GLN A 102 4.443 -17.081 -8.182 1.00 0.00 C ATOM 1554 CD GLN A 102 5.359 -16.529 -7.108 1.00 0.00 C ATOM 1555 OE1 GLN A 102 6.505 -16.171 -7.377 1.00 0.00 O ATOM 1556 NE2 GLN A 102 4.856 -16.456 -5.881 1.00 0.00 N ATOM 0 H GLN A 102 4.332 -14.742 -7.776 1.00 0.00 H new ATOM 0 HA GLN A 102 4.270 -14.589 -10.569 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.449 -17.156 -10.320 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.725 -16.171 -9.633 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.406 -16.931 -7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.598 -18.156 -8.269 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.900 -16.764 -5.702 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.426 -16.092 -5.117 1.00 0.00 H new ATOM 1565 N ALA A 103 1.544 -15.763 -9.193 1.00 0.00 N ATOM 1566 CA ALA A 103 0.160 -16.140 -9.455 1.00 0.00 C ATOM 1567 C ALA A 103 -0.620 -14.977 -10.059 1.00 0.00 C ATOM 1568 O ALA A 103 -1.184 -15.093 -11.146 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.508 -16.619 -8.176 1.00 0.00 C ATOM 0 H ALA A 103 1.774 -15.664 -8.204 1.00 0.00 H new ATOM 0 HA ALA A 103 0.162 -16.956 -10.177 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.541 -16.897 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.029 -17.484 -7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.492 -15.819 -7.435 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.650 -13.856 -9.345 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.365 -12.688 -9.826 1.00 0.00 C ATOM 1577 C GLY A 104 -1.167 -11.479 -8.935 1.00 0.00 C ATOM 1578 O GLY A 104 -0.038 -11.138 -8.581 1.00 0.00 O ATOM 0 H GLY A 104 -0.192 -13.736 -8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.029 -12.450 -10.835 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.429 -12.918 -9.890 1.00 0.00 H new ATOM 1582 N SER A 105 -2.267 -10.826 -8.572 1.00 0.00 N ATOM 1583 CA SER A 105 -2.208 -9.644 -7.721 1.00 0.00 C ATOM 1584 C SER A 105 -3.518 -9.456 -6.961 1.00 0.00 C ATOM 1585 O SER A 105 -4.576 -9.901 -7.407 1.00 0.00 O ATOM 1586 CB SER A 105 -1.909 -8.400 -8.560 1.00 0.00 C ATOM 1587 OG SER A 105 -2.913 -8.191 -9.538 1.00 0.00 O ATOM 0 H SER A 105 -3.209 -11.096 -8.854 1.00 0.00 H new ATOM 0 HA SER A 105 -1.405 -9.787 -6.997 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.842 -7.527 -7.911 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.940 -8.510 -9.047 1.00 0.00 H new ATOM 0 HG SER A 105 -2.700 -7.389 -10.060 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.439 -8.793 -5.812 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.617 -8.547 -4.989 1.00 0.00 C ATOM 1595 C ARG A 106 -4.592 -7.134 -4.413 1.00 0.00 C ATOM 1596 O ARG A 106 -3.660 -6.760 -3.703 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.696 -9.571 -3.855 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.022 -9.555 -3.112 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.176 -9.942 -4.024 1.00 0.00 C ATOM 1600 NE ARG A 106 -7.651 -8.810 -4.816 1.00 0.00 N ATOM 1601 CZ ARG A 106 -8.328 -8.940 -5.951 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -8.608 -10.146 -6.425 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -8.727 -7.863 -6.615 1.00 0.00 N ATOM 0 H ARG A 106 -2.571 -8.417 -5.430 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.499 -8.647 -5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.530 -10.568 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.890 -9.379 -3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.976 -10.244 -2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.199 -8.561 -2.702 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.858 -10.743 -4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.997 -10.334 -3.424 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.452 -7.868 -4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.303 -10.977 -5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.128 -10.243 -7.297 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.514 -6.933 -6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.247 -7.965 -7.487 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.623 -6.355 -4.725 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.718 -4.984 -4.239 1.00 0.00 C ATOM 1619 C ASN A 107 -6.559 -4.914 -2.967 1.00 0.00 C ATOM 1620 O ASN A 107 -7.609 -5.549 -2.870 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.325 -4.080 -5.315 1.00 0.00 C ATOM 1622 CG ASN A 107 -7.839 -4.158 -5.348 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -8.417 -5.243 -5.287 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -8.488 -3.004 -5.447 1.00 0.00 N ATOM 0 H ASN A 107 -6.404 -6.650 -5.312 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.711 -4.637 -4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.021 -3.049 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.928 -4.363 -6.290 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.508 -2.993 -5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.967 -2.128 -5.495 1.00 0.00 H new ATOM 1631 N SER A 108 -6.090 -4.138 -1.996 1.00 0.00 N ATOM 1632 CA SER A 108 -6.796 -3.988 -0.729 1.00 0.00 C ATOM 1633 C SER A 108 -7.748 -2.797 -0.776 1.00 0.00 C ATOM 1634 O SER A 108 -7.800 -2.069 -1.767 1.00 0.00 O ATOM 1635 CB SER A 108 -5.799 -3.813 0.418 1.00 0.00 C ATOM 1636 OG SER A 108 -6.450 -3.883 1.675 1.00 0.00 O ATOM 0 H SER A 108 -5.224 -3.603 -2.062 1.00 0.00 H new ATOM 0 HA SER A 108 -7.380 -4.892 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.032 -4.585 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.292 -2.853 0.320 1.00 0.00 H new ATOM 0 HG SER A 108 -5.780 -3.961 2.386 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.500 -2.605 0.303 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.451 -1.503 0.385 1.00 0.00 C ATOM 1644 C GLU A 109 -8.726 -0.166 0.513 1.00 0.00 C ATOM 1645 O GLU A 109 -7.619 -0.081 1.046 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.394 -1.700 1.574 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.564 -2.623 1.277 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.644 -2.556 2.339 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -12.448 -3.147 3.422 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -13.685 -1.914 2.087 1.00 0.00 O ATOM 0 H GLU A 109 -8.469 -3.198 1.132 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.035 -1.493 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.828 -2.104 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.778 -0.729 1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.993 -2.360 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.202 -3.648 1.196 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.363 0.903 0.013 1.00 0.00 N ATOM 1658 CA PRO A 110 -8.798 2.254 0.059 1.00 0.00 C ATOM 1659 C PRO A 110 -8.759 2.818 1.475 1.00 0.00 C ATOM 1660 O PRO A 110 -9.764 2.811 2.186 1.00 0.00 O ATOM 1661 CB PRO A 110 -9.754 3.069 -0.815 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.046 2.329 -0.754 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.684 0.874 -0.637 1.00 0.00 C ATOM 0 HA PRO A 110 -7.763 2.275 -0.284 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.863 4.087 -0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.388 3.143 -1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.641 2.653 0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.643 2.512 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.413 0.325 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.641 0.391 -1.613 1.00 0.00 H new ATOM 1671 N THR A 111 -7.591 3.308 1.881 1.00 0.00 N ATOM 1672 CA THR A 111 -7.421 3.875 3.212 1.00 0.00 C ATOM 1673 C THR A 111 -7.292 5.393 3.151 1.00 0.00 C ATOM 1674 O THR A 111 -6.297 5.922 2.655 1.00 0.00 O ATOM 1675 CB THR A 111 -6.180 3.294 3.916 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.415 1.928 4.275 1.00 0.00 O ATOM 1677 CG2 THR A 111 -5.838 4.099 5.161 1.00 0.00 C ATOM 0 H THR A 111 -6.749 3.323 1.306 1.00 0.00 H new ATOM 0 HA THR A 111 -8.311 3.611 3.784 1.00 0.00 H new ATOM 0 HB THR A 111 -5.339 3.348 3.225 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.334 1.826 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.959 3.670 5.641 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.631 5.132 4.881 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.679 4.072 5.854 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.305 6.089 3.658 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.304 7.547 3.661 1.00 0.00 C ATOM 1687 C ARG A 112 -7.320 8.089 4.693 1.00 0.00 C ATOM 1688 O ARG A 112 -7.273 7.616 5.830 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.709 8.078 3.951 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.625 8.075 2.738 1.00 0.00 C ATOM 1691 CD ARG A 112 -10.500 9.365 1.943 1.00 0.00 C ATOM 1692 NE ARG A 112 -11.386 10.409 2.451 1.00 0.00 N ATOM 1693 CZ ARG A 112 -12.709 10.371 2.335 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.296 9.347 1.731 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -13.447 11.359 2.824 1.00 0.00 N ATOM 0 H ARG A 112 -9.136 5.667 4.072 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.991 7.887 2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.161 7.474 4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.632 9.095 4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.381 7.227 2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.658 7.944 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.468 9.715 1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -10.733 9.170 0.896 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.966 11.211 2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.732 8.586 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.312 9.321 1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.999 12.148 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.463 11.329 2.735 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.535 9.082 4.291 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.551 9.689 5.181 1.00 0.00 C ATOM 1711 C LEU A 113 -5.473 11.196 4.960 1.00 0.00 C ATOM 1712 O LEU A 113 -5.543 11.673 3.827 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.176 9.057 4.958 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.070 7.559 5.248 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.707 7.030 4.831 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.324 7.282 6.722 1.00 0.00 C ATOM 0 H LEU A 113 -6.560 9.484 3.354 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.866 9.508 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.884 9.228 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.452 9.580 5.583 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.832 7.041 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.650 5.963 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.564 7.194 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.928 7.553 5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.245 6.211 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.586 7.812 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.324 7.624 6.989 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.325 11.941 6.049 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.234 13.395 5.976 1.00 0.00 C ATOM 1730 C LYS A 114 -3.926 13.889 6.586 1.00 0.00 C ATOM 1731 O LYS A 114 -3.470 13.372 7.607 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.420 14.038 6.697 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.653 14.191 5.822 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.550 15.315 6.314 1.00 0.00 C ATOM 1735 CE LYS A 114 -7.937 16.679 6.036 1.00 0.00 C ATOM 1736 NZ LYS A 114 -8.906 17.782 6.281 1.00 0.00 N ATOM 0 H LYS A 114 -5.265 11.562 6.994 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.257 13.683 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.675 13.435 7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.122 15.020 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.349 14.390 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.212 13.255 5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.523 15.246 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.721 15.203 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.060 16.819 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.594 16.719 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.451 18.695 6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.732 17.663 5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.214 17.759 7.274 1.00 0.00 H new ATOM 1750 N THR A 115 -3.327 14.894 5.956 1.00 0.00 N ATOM 1751 CA THR A 115 -2.072 15.458 6.437 1.00 0.00 C ATOM 1752 C THR A 115 -2.320 16.541 7.481 1.00 0.00 C ATOM 1753 O THR A 115 -3.464 16.901 7.756 1.00 0.00 O ATOM 1754 CB THR A 115 -1.245 16.055 5.282 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.025 17.023 4.570 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.785 14.965 4.326 1.00 0.00 C ATOM 0 H THR A 115 -3.691 15.334 5.111 1.00 0.00 H new ATOM 0 HA THR A 115 -1.512 14.641 6.891 1.00 0.00 H new ATOM 0 HB THR A 115 -0.365 16.539 5.707 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.586 17.236 3.720 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.203 15.411 3.519 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.168 14.246 4.864 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.654 14.456 3.909 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.241 17.056 8.060 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.342 18.099 9.075 1.00 0.00 C ATOM 1766 C ASN A 116 -1.319 19.484 8.437 1.00 0.00 C ATOM 1767 O ASN A 116 -0.602 19.719 7.465 1.00 0.00 O ATOM 1768 CB ASN A 116 -0.199 17.971 10.084 1.00 0.00 C ATOM 1769 CG ASN A 116 -0.283 16.691 10.894 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -1.370 16.249 11.267 1.00 0.00 O ATOM 1771 ND2 ASN A 116 0.869 16.090 11.170 1.00 0.00 N ATOM 0 H ASN A 116 -0.286 16.769 7.844 1.00 0.00 H new ATOM 0 HA ASN A 116 -2.292 17.974 9.595 1.00 0.00 H new ATOM 0 HB2 ASN A 116 0.754 18.001 9.555 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -0.216 18.827 10.759 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.876 15.226 11.712 1.00 0.00 H new ATOM 0 HD22 ASN A 116 1.746 16.493 10.840 1.00 0.00 H new