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= -0.526 K(o=-3.7,f=-4.6) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 172:sc= -2.98! (180deg=-3.18!) USER MOD Set 1.3: A 107 ASN : amide:sc= -0.183 K(o=-3.7,f=-8.4) USER MOD Set 2.1: A 39 SER OG : rot -120:sc= -0.0071 USER MOD Set 2.2: A 48 TYR OH : rot 180:sc= -0.924 USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0806 X(o=-0.081,f=-0.15) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -51:sc= -2.38 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-1.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.26) 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 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 -116:sc= -0.32 (180deg=-1.15) USER MOD Single : A 76 ASN : amide:sc= -0.781 K(o=-0.78,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000417) USER MOD Single : A 79 GLN : amide:sc= -5.33! C(o=-5.3!,f=-14!) USER MOD Single : A 80 ASN : amide:sc= -0.0491 K(o=-0.049,f=-0.98) USER MOD Single : A 81 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.049) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= -4.19 K(o=-4.2,f=-2.9) USER MOD Single : A 88 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 62:sc= 0.759 USER MOD Single : A 93 TYR OH : rot -15:sc= -1 USER MOD Single : A 101 ASN : amide:sc= -4.71! C(o=-4.7!,f=-12!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 112:sc= 0.915 USER MOD Single : A 111 THR OG1 : rot -110:sc= -0.636 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -129:sc= 0.0165 USER MOD Single : A 116 ASN : amide:sc= -2.29! K(o=-2.3!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -3.628 -16.790 -5.903 1.00 0.00 N ATOM 174 CA ALA A 15 -3.347 -15.360 -5.914 1.00 0.00 C ATOM 175 C ALA A 15 -2.787 -14.901 -4.572 1.00 0.00 C ATOM 176 O ALA A 15 -2.930 -15.572 -3.550 1.00 0.00 O ATOM 177 CB ALA A 15 -4.606 -14.578 -6.258 1.00 0.00 C ATOM 0 HA ALA A 15 -2.593 -15.168 -6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.382 -13.511 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.963 -14.878 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.376 -14.784 -5.515 1.00 0.00 H new ATOM 183 N PRO A 16 -2.133 -13.730 -4.572 1.00 0.00 N ATOM 184 CA PRO A 16 -1.538 -13.155 -3.362 1.00 0.00 C ATOM 185 C PRO A 16 -2.592 -12.678 -2.368 1.00 0.00 C ATOM 186 O PRO A 16 -3.622 -12.130 -2.757 1.00 0.00 O ATOM 187 CB PRO A 16 -0.729 -11.969 -3.894 1.00 0.00 C ATOM 188 CG PRO A 16 -1.400 -11.594 -5.170 1.00 0.00 C ATOM 189 CD PRO A 16 -1.925 -12.876 -5.754 1.00 0.00 C ATOM 0 HA PRO A 16 -0.941 -13.885 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.731 -11.139 -3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.313 -12.243 -4.060 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.209 -10.886 -4.992 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.700 -11.112 -5.852 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.853 -12.717 -6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.215 -13.321 -6.451 1.00 0.00 H new ATOM 197 N ASN A 17 -2.326 -12.889 -1.084 1.00 0.00 N ATOM 198 CA ASN A 17 -3.252 -12.481 -0.034 1.00 0.00 C ATOM 199 C ASN A 17 -3.298 -10.961 0.089 1.00 0.00 C ATOM 200 O ASN A 17 -2.280 -10.274 -0.001 1.00 0.00 O ATOM 201 CB ASN A 17 -2.843 -13.099 1.305 1.00 0.00 C ATOM 202 CG ASN A 17 -1.735 -12.321 1.987 1.00 0.00 C ATOM 203 OD1 ASN A 17 -0.580 -12.363 1.564 1.00 0.00 O ATOM 204 ND2 ASN A 17 -2.083 -11.605 3.050 1.00 0.00 N ATOM 0 H ASN A 17 -1.476 -13.340 -0.745 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.246 -12.838 -0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.711 -13.141 1.963 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.515 -14.126 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.380 -11.061 3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.053 -11.599 3.366 1.00 0.00 H new ATOM 211 N PRO A 18 -4.508 -10.421 0.300 1.00 0.00 N ATOM 212 CA PRO A 18 -4.717 -8.977 0.441 1.00 0.00 C ATOM 213 C PRO A 18 -4.138 -8.432 1.742 1.00 0.00 C ATOM 214 O PRO A 18 -4.446 -8.909 2.835 1.00 0.00 O ATOM 215 CB PRO A 18 -6.241 -8.836 0.433 1.00 0.00 C ATOM 216 CG PRO A 18 -6.745 -10.153 0.915 1.00 0.00 C ATOM 217 CD PRO A 18 -5.765 -11.179 0.418 1.00 0.00 C ATOM 0 HA PRO A 18 -4.220 -8.414 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.567 -8.025 1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.613 -8.611 -0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.811 -10.171 2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.746 -10.352 0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.668 -12.012 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.073 -11.598 -0.540 1.00 0.00 H new ATOM 225 N PRO A 19 -3.280 -7.408 1.626 1.00 0.00 N ATOM 226 CA PRO A 19 -2.641 -6.775 2.784 1.00 0.00 C ATOM 227 C PRO A 19 -3.630 -5.978 3.628 1.00 0.00 C ATOM 228 O PRO A 19 -4.798 -5.838 3.266 1.00 0.00 O ATOM 229 CB PRO A 19 -1.605 -5.842 2.152 1.00 0.00 C ATOM 230 CG PRO A 19 -2.140 -5.547 0.793 1.00 0.00 C ATOM 231 CD PRO A 19 -2.867 -6.788 0.356 1.00 0.00 C ATOM 0 HA PRO A 19 -2.213 -7.510 3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.485 -4.930 2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.626 -6.317 2.097 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.812 -4.689 0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.334 -5.303 0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.725 -6.550 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.221 -7.449 -0.222 1.00 0.00 H new ATOM 239 N SER A 20 -3.155 -5.458 4.755 1.00 0.00 N ATOM 240 CA SER A 20 -3.999 -4.678 5.652 1.00 0.00 C ATOM 241 C SER A 20 -3.367 -3.321 5.949 1.00 0.00 C ATOM 242 O SER A 20 -2.331 -3.238 6.609 1.00 0.00 O ATOM 243 CB SER A 20 -4.233 -5.440 6.958 1.00 0.00 C ATOM 244 OG SER A 20 -5.397 -6.245 6.876 1.00 0.00 O ATOM 0 H SER A 20 -2.190 -5.563 5.069 1.00 0.00 H new ATOM 0 HA SER A 20 -4.957 -4.514 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.368 -6.066 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.332 -4.734 7.782 1.00 0.00 H new ATOM 0 HG SER A 20 -5.524 -6.723 7.722 1.00 0.00 H new ATOM 250 N ILE A 21 -3.999 -2.261 5.458 1.00 0.00 N ATOM 251 CA ILE A 21 -3.501 -0.908 5.671 1.00 0.00 C ATOM 252 C ILE A 21 -3.822 -0.419 7.079 1.00 0.00 C ATOM 253 O ILE A 21 -4.933 0.034 7.352 1.00 0.00 O ATOM 254 CB ILE A 21 -4.096 0.079 4.649 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.714 -0.334 3.226 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.621 1.495 4.941 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.385 0.497 2.155 1.00 0.00 C ATOM 0 H ILE A 21 -4.857 -2.313 4.910 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.420 -0.946 5.540 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.182 0.056 4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.633 -0.255 3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.975 -1.382 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.050 2.181 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.939 1.786 5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.533 1.534 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.068 0.148 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.467 0.399 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.104 1.543 2.277 1.00 0.00 H new ATOM 269 N ARG A 22 -2.840 -0.513 7.970 1.00 0.00 N ATOM 270 CA ARG A 22 -3.017 -0.079 9.351 1.00 0.00 C ATOM 271 C ARG A 22 -3.091 1.442 9.438 1.00 0.00 C ATOM 272 O ARG A 22 -2.200 2.144 8.963 1.00 0.00 O ATOM 273 CB ARG A 22 -1.870 -0.595 10.221 1.00 0.00 C ATOM 274 CG ARG A 22 -1.728 -2.109 10.208 1.00 0.00 C ATOM 275 CD ARG A 22 -2.760 -2.772 11.107 1.00 0.00 C ATOM 276 NE ARG A 22 -2.364 -2.739 12.512 1.00 0.00 N ATOM 277 CZ ARG A 22 -2.801 -3.605 13.420 1.00 0.00 C ATOM 278 NH1 ARG A 22 -3.643 -4.567 13.071 1.00 0.00 N ATOM 279 NH2 ARG A 22 -2.394 -3.510 14.679 1.00 0.00 N ATOM 0 H ARG A 22 -1.914 -0.886 7.760 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.957 -0.493 9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.937 -0.148 9.879 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.026 -0.262 11.247 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.841 -2.478 9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.726 -2.385 10.537 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.720 -2.269 10.989 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.902 -3.807 10.795 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.716 -2.011 12.813 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.957 -4.644 12.104 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.977 -5.231 13.770 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.745 -2.772 14.951 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.730 -4.175 15.375 1.00 0.00 H new ATOM 293 N GLU A 23 -4.161 1.943 10.047 1.00 0.00 N ATOM 294 CA GLU A 23 -4.352 3.382 10.195 1.00 0.00 C ATOM 295 C GLU A 23 -3.685 3.891 11.469 1.00 0.00 C ATOM 296 O GLU A 23 -3.240 5.036 11.534 1.00 0.00 O ATOM 297 CB GLU A 23 -5.844 3.721 10.216 1.00 0.00 C ATOM 298 CG GLU A 23 -6.459 3.846 8.832 1.00 0.00 C ATOM 299 CD GLU A 23 -7.649 4.785 8.806 1.00 0.00 C ATOM 300 OE1 GLU A 23 -7.549 5.886 9.387 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.681 4.419 8.204 1.00 0.00 O ATOM 0 H GLU A 23 -4.908 1.375 10.446 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.887 3.874 9.341 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.376 2.949 10.772 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.988 4.658 10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.703 4.204 8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.771 2.860 8.487 1.00 0.00 H new ATOM 308 N GLU A 24 -3.622 3.031 12.481 1.00 0.00 N ATOM 309 CA GLU A 24 -3.011 3.394 13.755 1.00 0.00 C ATOM 310 C GLU A 24 -1.494 3.491 13.622 1.00 0.00 C ATOM 311 O GLU A 24 -0.834 4.185 14.398 1.00 0.00 O ATOM 312 CB GLU A 24 -3.375 2.370 14.831 1.00 0.00 C ATOM 313 CG GLU A 24 -2.855 0.972 14.542 1.00 0.00 C ATOM 314 CD GLU A 24 -3.587 -0.098 15.329 1.00 0.00 C ATOM 315 OE1 GLU A 24 -4.791 -0.307 15.070 1.00 0.00 O ATOM 316 OE2 GLU A 24 -2.956 -0.725 16.205 1.00 0.00 O ATOM 0 H GLU A 24 -3.986 2.079 12.444 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.396 4.370 14.048 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.978 2.705 15.789 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.460 2.331 14.932 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.954 0.765 13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.792 0.928 14.778 1.00 0.00 H new ATOM 323 N LEU A 25 -0.946 2.791 12.635 1.00 0.00 N ATOM 324 CA LEU A 25 0.494 2.797 12.400 1.00 0.00 C ATOM 325 C LEU A 25 0.871 3.842 11.354 1.00 0.00 C ATOM 326 O LEU A 25 1.971 4.393 11.382 1.00 0.00 O ATOM 327 CB LEU A 25 0.962 1.413 11.946 1.00 0.00 C ATOM 328 CG LEU A 25 0.609 0.248 12.872 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.160 -1.057 12.321 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.140 0.503 14.276 1.00 0.00 C ATOM 0 H LEU A 25 -1.477 2.212 11.984 1.00 0.00 H new ATOM 0 HA LEU A 25 0.989 3.052 13.337 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.536 1.212 10.963 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.045 1.439 11.825 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.477 0.167 12.925 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.899 -1.875 12.993 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.732 -1.246 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.245 -0.988 12.238 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.880 -0.336 14.921 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.224 0.611 14.241 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.697 1.417 14.672 1.00 0.00 H new ATOM 342 N CYS A 26 -0.050 4.110 10.435 1.00 0.00 N ATOM 343 CA CYS A 26 0.185 5.090 9.381 1.00 0.00 C ATOM 344 C CYS A 26 0.221 6.504 9.952 1.00 0.00 C ATOM 345 O CYS A 26 -0.562 6.848 10.838 1.00 0.00 O ATOM 346 CB CYS A 26 -0.901 4.987 8.309 1.00 0.00 C ATOM 347 SG CYS A 26 -2.397 5.933 8.680 1.00 0.00 S ATOM 0 H CYS A 26 -0.966 3.663 10.399 1.00 0.00 H new ATOM 0 HA CYS A 26 1.153 4.876 8.928 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.492 5.332 7.359 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.170 3.939 8.179 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.814 5.634 9.874 1.00 0.00 H new ATOM 353 N THR A 27 1.135 7.321 9.438 1.00 0.00 N ATOM 354 CA THR A 27 1.276 8.697 9.898 1.00 0.00 C ATOM 355 C THR A 27 1.146 9.680 8.740 1.00 0.00 C ATOM 356 O THR A 27 1.327 9.313 7.579 1.00 0.00 O ATOM 357 CB THR A 27 2.630 8.920 10.596 1.00 0.00 C ATOM 358 OG1 THR A 27 3.690 8.884 9.634 1.00 0.00 O ATOM 359 CG2 THR A 27 2.870 7.862 11.663 1.00 0.00 C ATOM 0 H THR A 27 1.789 7.053 8.702 1.00 0.00 H new ATOM 0 HA THR A 27 0.473 8.875 10.614 1.00 0.00 H new ATOM 0 HB THR A 27 2.609 9.899 11.076 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.547 9.028 10.086 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.833 8.040 12.142 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.078 7.912 12.410 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.872 6.874 11.202 1.00 0.00 H new ATOM 367 N ALA A 28 0.831 10.930 9.063 1.00 0.00 N ATOM 368 CA ALA A 28 0.680 11.966 8.049 1.00 0.00 C ATOM 369 C ALA A 28 1.560 13.171 8.361 1.00 0.00 C ATOM 370 O ALA A 28 1.788 13.501 9.525 1.00 0.00 O ATOM 371 CB ALA A 28 -0.778 12.388 7.940 1.00 0.00 C ATOM 0 H ALA A 28 0.675 11.250 10.019 1.00 0.00 H new ATOM 0 HA ALA A 28 1.000 11.554 7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.877 13.162 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.386 11.527 7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.117 12.777 8.900 1.00 0.00 H new ATOM 377 N SER A 29 2.053 13.825 7.314 1.00 0.00 N ATOM 378 CA SER A 29 2.912 14.992 7.476 1.00 0.00 C ATOM 379 C SER A 29 2.547 16.080 6.470 1.00 0.00 C ATOM 380 O SER A 29 1.803 15.838 5.519 1.00 0.00 O ATOM 381 CB SER A 29 4.380 14.597 7.308 1.00 0.00 C ATOM 382 OG SER A 29 4.923 14.121 8.527 1.00 0.00 O ATOM 0 H SER A 29 1.872 13.566 6.344 1.00 0.00 H new ATOM 0 HA SER A 29 2.762 15.387 8.481 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.467 13.826 6.542 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.954 15.457 6.962 1.00 0.00 H new ATOM 0 HG SER A 29 5.862 13.874 8.392 1.00 0.00 H new ATOM 388 N HIS A 30 3.077 17.279 6.687 1.00 0.00 N ATOM 389 CA HIS A 30 2.809 18.405 5.799 1.00 0.00 C ATOM 390 C HIS A 30 2.648 17.934 4.357 1.00 0.00 C ATOM 391 O HIS A 30 1.534 17.858 3.839 1.00 0.00 O ATOM 392 CB HIS A 30 3.937 19.433 5.890 1.00 0.00 C ATOM 393 CG HIS A 30 5.261 18.839 6.260 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.637 18.592 7.564 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.299 18.440 5.489 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.850 18.069 7.578 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.274 17.966 6.331 1.00 0.00 N ATOM 0 H HIS A 30 3.694 17.496 7.469 1.00 0.00 H new ATOM 0 HA HIS A 30 1.876 18.872 6.116 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.032 19.942 4.931 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.669 20.190 6.627 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.351 18.486 4.411 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.401 17.776 8.459 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.179 17.595 6.041 1.00 0.00 H new ATOM 406 N ASP A 31 3.768 17.620 3.715 1.00 0.00 N ATOM 407 CA ASP A 31 3.752 17.156 2.332 1.00 0.00 C ATOM 408 C ASP A 31 4.298 15.736 2.229 1.00 0.00 C ATOM 409 O ASP A 31 4.865 15.349 1.207 1.00 0.00 O ATOM 410 CB ASP A 31 4.572 18.096 1.447 1.00 0.00 C ATOM 411 CG ASP A 31 5.960 18.348 2.000 1.00 0.00 C ATOM 412 OD1 ASP A 31 6.684 17.364 2.257 1.00 0.00 O ATOM 413 OD2 ASP A 31 6.323 19.530 2.178 1.00 0.00 O ATOM 0 H ASP A 31 4.698 17.678 4.130 1.00 0.00 H new ATOM 0 HA ASP A 31 2.718 17.154 1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.654 17.669 0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.046 19.046 1.346 1.00 0.00 H new ATOM 418 N THR A 32 4.123 14.961 3.296 1.00 0.00 N ATOM 419 CA THR A 32 4.599 13.584 3.327 1.00 0.00 C ATOM 420 C THR A 32 3.685 12.705 4.171 1.00 0.00 C ATOM 421 O THR A 32 2.996 13.191 5.069 1.00 0.00 O ATOM 422 CB THR A 32 6.033 13.498 3.884 1.00 0.00 C ATOM 423 OG1 THR A 32 6.296 14.620 4.734 1.00 0.00 O ATOM 424 CG2 THR A 32 7.051 13.462 2.754 1.00 0.00 C ATOM 0 H THR A 32 3.655 15.265 4.150 1.00 0.00 H new ATOM 0 HA THR A 32 4.594 13.225 2.298 1.00 0.00 H new ATOM 0 HB THR A 32 6.121 12.577 4.461 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.209 14.557 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.056 13.401 3.172 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.866 12.591 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.961 14.368 2.154 1.00 0.00 H new ATOM 432 N ILE A 33 3.683 11.409 3.879 1.00 0.00 N ATOM 433 CA ILE A 33 2.853 10.462 4.614 1.00 0.00 C ATOM 434 C ILE A 33 3.459 9.063 4.585 1.00 0.00 C ATOM 435 O ILE A 33 3.946 8.605 3.551 1.00 0.00 O ATOM 436 CB ILE A 33 1.425 10.402 4.041 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.763 11.779 4.117 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.597 9.368 4.789 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.627 11.816 3.521 1.00 0.00 C ATOM 0 H ILE A 33 4.247 10.990 3.139 1.00 0.00 H new ATOM 0 HA ILE A 33 2.808 10.815 5.644 1.00 0.00 H new ATOM 0 HB ILE A 33 1.482 10.105 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.710 12.091 5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.391 12.504 3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.410 9.337 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.062 8.387 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.545 9.637 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.034 12.823 3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.579 11.536 2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.270 11.116 4.054 1.00 0.00 H new ATOM 451 N THR A 34 3.425 8.385 5.729 1.00 0.00 N ATOM 452 CA THR A 34 3.970 7.038 5.836 1.00 0.00 C ATOM 453 C THR A 34 2.870 6.020 6.111 1.00 0.00 C ATOM 454 O THR A 34 2.303 5.984 7.204 1.00 0.00 O ATOM 455 CB THR A 34 5.029 6.947 6.951 1.00 0.00 C ATOM 456 OG1 THR A 34 5.915 8.069 6.877 1.00 0.00 O ATOM 457 CG2 THR A 34 5.826 5.656 6.836 1.00 0.00 C ATOM 0 H THR A 34 3.025 8.748 6.594 1.00 0.00 H new ATOM 0 HA THR A 34 4.440 6.811 4.879 1.00 0.00 H new ATOM 0 HB THR A 34 4.515 6.953 7.912 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.584 8.005 7.590 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.568 5.614 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.152 4.804 6.922 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.330 5.624 5.870 1.00 0.00 H new ATOM 465 N VAL A 35 2.571 5.193 5.114 1.00 0.00 N ATOM 466 CA VAL A 35 1.539 4.172 5.250 1.00 0.00 C ATOM 467 C VAL A 35 2.142 2.831 5.651 1.00 0.00 C ATOM 468 O VAL A 35 3.091 2.353 5.028 1.00 0.00 O ATOM 469 CB VAL A 35 0.748 3.996 3.940 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.289 2.893 4.087 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.091 5.307 3.535 1.00 0.00 C ATOM 0 H VAL A 35 3.029 5.210 4.203 1.00 0.00 H new ATOM 0 HA VAL A 35 0.860 4.510 6.033 1.00 0.00 H new ATOM 0 HB VAL A 35 1.443 3.706 3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.838 2.783 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.210 1.954 4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.983 3.150 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.464 5.165 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.592 5.629 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.858 6.067 3.386 1.00 0.00 H new ATOM 481 N HIS A 36 1.585 2.226 6.696 1.00 0.00 N ATOM 482 CA HIS A 36 2.067 0.937 7.180 1.00 0.00 C ATOM 483 C HIS A 36 1.074 -0.173 6.850 1.00 0.00 C ATOM 484 O HIS A 36 -0.078 -0.137 7.282 1.00 0.00 O ATOM 485 CB HIS A 36 2.306 0.993 8.689 1.00 0.00 C ATOM 486 CG HIS A 36 3.347 1.990 9.095 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.372 1.695 9.968 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.517 3.286 8.740 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.128 2.766 10.134 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.631 3.745 9.400 1.00 0.00 N ATOM 0 H HIS A 36 0.800 2.608 7.223 1.00 0.00 H new ATOM 0 HA HIS A 36 3.009 0.717 6.679 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.368 1.236 9.188 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.606 0.005 9.038 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.893 3.853 8.064 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.004 2.830 10.763 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.012 4.689 9.334 1.00 0.00 H new ATOM 499 N TRP A 37 1.529 -1.157 6.083 1.00 0.00 N ATOM 500 CA TRP A 37 0.679 -2.278 5.695 1.00 0.00 C ATOM 501 C TRP A 37 1.157 -3.573 6.343 1.00 0.00 C ATOM 502 O TRP A 37 2.356 -3.851 6.385 1.00 0.00 O ATOM 503 CB TRP A 37 0.664 -2.430 4.173 1.00 0.00 C ATOM 504 CG TRP A 37 2.033 -2.434 3.563 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.896 -3.491 3.493 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.697 -1.330 2.940 1.00 0.00 C ATOM 507 NE1 TRP A 37 4.056 -3.109 2.863 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.959 -1.789 2.513 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.348 0.002 2.698 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.870 -0.962 1.861 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.254 0.821 2.051 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.502 0.337 1.638 1.00 0.00 C ATOM 0 H TRP A 37 2.480 -1.202 5.718 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.333 -2.072 6.043 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.155 -3.358 3.913 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.083 -1.616 3.739 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.696 -4.481 3.876 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.859 -3.712 2.685 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.388 0.384 3.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.833 -1.333 1.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.995 1.852 1.861 1.00 0.00 H new ATOM 0 HH2 TRP A 37 5.187 1.002 1.134 1.00 0.00 H new ATOM 523 N ILE A 38 0.213 -4.361 6.846 1.00 0.00 N ATOM 524 CA ILE A 38 0.539 -5.627 7.491 1.00 0.00 C ATOM 525 C ILE A 38 -0.044 -6.804 6.717 1.00 0.00 C ATOM 526 O ILE A 38 -1.179 -6.748 6.244 1.00 0.00 O ATOM 527 CB ILE A 38 0.019 -5.671 8.940 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.518 -6.934 9.645 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.501 -5.614 8.959 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.847 -6.750 10.344 1.00 0.00 C ATOM 0 H ILE A 38 -0.784 -4.145 6.819 1.00 0.00 H new ATOM 0 HA ILE A 38 1.626 -5.705 7.502 1.00 0.00 H new ATOM 0 HB ILE A 38 0.403 -4.802 9.475 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.227 -7.251 10.375 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.609 -7.737 8.913 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.853 -5.646 9.990 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.836 -4.689 8.489 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.904 -6.466 8.411 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.139 -7.685 10.822 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.605 -6.463 9.615 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.756 -5.970 11.099 1.00 0.00 H new ATOM 542 N SER A 39 0.739 -7.871 6.593 1.00 0.00 N ATOM 543 CA SER A 39 0.301 -9.062 5.874 1.00 0.00 C ATOM 544 C SER A 39 0.661 -10.326 6.649 1.00 0.00 C ATOM 545 O SER A 39 1.576 -10.323 7.473 1.00 0.00 O ATOM 546 CB SER A 39 0.934 -9.105 4.482 1.00 0.00 C ATOM 547 OG SER A 39 2.349 -9.077 4.564 1.00 0.00 O ATOM 0 H SER A 39 1.680 -7.935 6.981 1.00 0.00 H new ATOM 0 HA SER A 39 -0.783 -9.016 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.615 -10.008 3.962 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.584 -8.257 3.893 1.00 0.00 H new ATOM 0 HG SER A 39 2.689 -8.290 4.090 1.00 0.00 H new ATOM 553 N ASP A 40 -0.065 -11.405 6.377 1.00 0.00 N ATOM 554 CA ASP A 40 0.177 -12.678 7.046 1.00 0.00 C ATOM 555 C ASP A 40 1.481 -13.306 6.565 1.00 0.00 C ATOM 556 O ASP A 40 2.135 -14.046 7.300 1.00 0.00 O ATOM 557 CB ASP A 40 -0.987 -13.638 6.799 1.00 0.00 C ATOM 558 CG ASP A 40 -2.230 -13.253 7.577 1.00 0.00 C ATOM 559 OD1 ASP A 40 -2.153 -13.182 8.822 1.00 0.00 O ATOM 560 OD2 ASP A 40 -3.281 -13.022 6.942 1.00 0.00 O ATOM 0 H ASP A 40 -0.826 -11.423 5.698 1.00 0.00 H new ATOM 0 HA ASP A 40 0.260 -12.487 8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.219 -13.656 5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.686 -14.648 7.077 1.00 0.00 H new ATOM 565 N ASP A 41 1.853 -13.006 5.325 1.00 0.00 N ATOM 566 CA ASP A 41 3.080 -13.541 4.745 1.00 0.00 C ATOM 567 C ASP A 41 3.471 -12.765 3.491 1.00 0.00 C ATOM 568 O ASP A 41 2.730 -12.741 2.508 1.00 0.00 O ATOM 569 CB ASP A 41 2.906 -15.023 4.409 1.00 0.00 C ATOM 570 CG ASP A 41 3.215 -15.924 5.588 1.00 0.00 C ATOM 571 OD1 ASP A 41 4.411 -16.118 5.888 1.00 0.00 O ATOM 572 OD2 ASP A 41 2.261 -16.436 6.211 1.00 0.00 O ATOM 0 H ASP A 41 1.323 -12.396 4.703 1.00 0.00 H new ATOM 0 HA ASP A 41 3.878 -13.434 5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.882 -15.200 4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.559 -15.283 3.576 1.00 0.00 H new ATOM 577 N GLU A 42 4.639 -12.131 3.533 1.00 0.00 N ATOM 578 CA GLU A 42 5.126 -11.353 2.401 1.00 0.00 C ATOM 579 C GLU A 42 6.389 -11.978 1.814 1.00 0.00 C ATOM 580 O GLU A 42 7.177 -11.305 1.150 1.00 0.00 O ATOM 581 CB GLU A 42 5.410 -9.911 2.829 1.00 0.00 C ATOM 582 CG GLU A 42 6.591 -9.778 3.774 1.00 0.00 C ATOM 583 CD GLU A 42 6.536 -8.509 4.602 1.00 0.00 C ATOM 584 OE1 GLU A 42 6.268 -7.435 4.025 1.00 0.00 O ATOM 585 OE2 GLU A 42 6.760 -8.591 5.828 1.00 0.00 O ATOM 0 H GLU A 42 5.265 -12.141 4.339 1.00 0.00 H new ATOM 0 HA GLU A 42 4.351 -11.352 1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.597 -9.307 1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.522 -9.503 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.618 -10.641 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.516 -9.791 3.198 1.00 0.00 H new ATOM 592 N PHE A 43 6.573 -13.270 2.065 1.00 0.00 N ATOM 593 CA PHE A 43 7.740 -13.987 1.563 1.00 0.00 C ATOM 594 C PHE A 43 7.591 -14.296 0.076 1.00 0.00 C ATOM 595 O PHE A 43 8.539 -14.154 -0.696 1.00 0.00 O ATOM 596 CB PHE A 43 7.943 -15.286 2.347 1.00 0.00 C ATOM 597 CG PHE A 43 8.538 -15.076 3.710 1.00 0.00 C ATOM 598 CD1 PHE A 43 7.767 -14.579 4.749 1.00 0.00 C ATOM 599 CD2 PHE A 43 9.869 -15.375 3.953 1.00 0.00 C ATOM 600 CE1 PHE A 43 8.311 -14.386 6.004 1.00 0.00 C ATOM 601 CE2 PHE A 43 10.419 -15.184 5.207 1.00 0.00 C ATOM 602 CZ PHE A 43 9.639 -14.687 6.233 1.00 0.00 C ATOM 0 H PHE A 43 5.930 -13.842 2.612 1.00 0.00 H new ATOM 0 HA PHE A 43 8.613 -13.348 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.983 -15.791 2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.591 -15.949 1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.728 -14.340 4.575 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.484 -15.762 3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.698 -14.000 6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.457 -15.423 5.384 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.067 -14.534 7.213 1.00 0.00 H new ATOM 612 N SER A 44 6.394 -14.718 -0.317 1.00 0.00 N ATOM 613 CA SER A 44 6.121 -15.051 -1.710 1.00 0.00 C ATOM 614 C SER A 44 6.054 -13.791 -2.567 1.00 0.00 C ATOM 615 O SER A 44 6.589 -13.752 -3.676 1.00 0.00 O ATOM 616 CB SER A 44 4.808 -15.828 -1.823 1.00 0.00 C ATOM 617 OG SER A 44 4.977 -17.177 -1.424 1.00 0.00 O ATOM 0 H SER A 44 5.598 -14.837 0.309 1.00 0.00 H new ATOM 0 HA SER A 44 6.937 -15.675 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.047 -15.355 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.448 -15.792 -2.851 1.00 0.00 H new ATOM 0 HG SER A 44 4.123 -17.651 -1.504 1.00 0.00 H new ATOM 623 N ILE A 45 5.394 -12.762 -2.045 1.00 0.00 N ATOM 624 CA ILE A 45 5.259 -11.500 -2.761 1.00 0.00 C ATOM 625 C ILE A 45 6.618 -10.968 -3.200 1.00 0.00 C ATOM 626 O ILE A 45 7.467 -10.643 -2.370 1.00 0.00 O ATOM 627 CB ILE A 45 4.558 -10.435 -1.897 1.00 0.00 C ATOM 628 CG1 ILE A 45 3.208 -10.957 -1.401 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.376 -9.148 -2.686 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.500 -10.006 -0.461 1.00 0.00 C ATOM 0 H ILE A 45 4.945 -12.778 -1.129 1.00 0.00 H new ATOM 0 HA ILE A 45 4.649 -11.701 -3.642 1.00 0.00 H new ATOM 0 HB ILE A 45 5.185 -10.222 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.565 -11.152 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.360 -11.910 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.879 -8.406 -2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.351 -8.769 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.768 -9.345 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.550 -10.441 -0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.123 -9.830 0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.316 -9.060 -0.971 1.00 0.00 H new ATOM 642 N SER A 46 6.818 -10.880 -4.511 1.00 0.00 N ATOM 643 CA SER A 46 8.076 -10.388 -5.062 1.00 0.00 C ATOM 644 C SER A 46 8.268 -8.909 -4.742 1.00 0.00 C ATOM 645 O SER A 46 9.359 -8.480 -4.367 1.00 0.00 O ATOM 646 CB SER A 46 8.113 -10.604 -6.576 1.00 0.00 C ATOM 647 OG SER A 46 8.370 -11.961 -6.892 1.00 0.00 O ATOM 0 H SER A 46 6.125 -11.143 -5.212 1.00 0.00 H new ATOM 0 HA SER A 46 8.890 -10.949 -4.603 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.162 -10.300 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.884 -9.972 -7.018 1.00 0.00 H new ATOM 0 HG SER A 46 8.387 -12.073 -7.865 1.00 0.00 H new ATOM 653 N SER A 47 7.199 -8.134 -4.893 1.00 0.00 N ATOM 654 CA SER A 47 7.249 -6.702 -4.624 1.00 0.00 C ATOM 655 C SER A 47 5.847 -6.140 -4.408 1.00 0.00 C ATOM 656 O SER A 47 4.861 -6.698 -4.890 1.00 0.00 O ATOM 657 CB SER A 47 7.931 -5.968 -5.781 1.00 0.00 C ATOM 658 OG SER A 47 7.311 -6.276 -7.017 1.00 0.00 O ATOM 0 H SER A 47 6.288 -8.474 -5.200 1.00 0.00 H new ATOM 0 HA SER A 47 7.828 -6.549 -3.713 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.890 -4.893 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.985 -6.244 -5.820 1.00 0.00 H new ATOM 0 HG SER A 47 7.764 -5.793 -7.740 1.00 0.00 H new ATOM 664 N TYR A 48 5.766 -5.033 -3.679 1.00 0.00 N ATOM 665 CA TYR A 48 4.485 -4.396 -3.395 1.00 0.00 C ATOM 666 C TYR A 48 4.270 -3.182 -4.294 1.00 0.00 C ATOM 667 O TYR A 48 5.225 -2.591 -4.796 1.00 0.00 O ATOM 668 CB TYR A 48 4.415 -3.976 -1.926 1.00 0.00 C ATOM 669 CG TYR A 48 3.822 -5.032 -1.022 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.457 -5.292 -1.027 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.626 -5.770 -0.162 1.00 0.00 C ATOM 672 CE1 TYR A 48 1.910 -6.256 -0.202 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.088 -6.737 0.665 1.00 0.00 C ATOM 674 CZ TYR A 48 2.730 -6.976 0.642 1.00 0.00 C ATOM 675 OH TYR A 48 2.190 -7.937 1.465 1.00 0.00 O ATOM 0 H TYR A 48 6.572 -4.558 -3.274 1.00 0.00 H new ATOM 0 HA TYR A 48 3.695 -5.120 -3.597 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.419 -3.734 -1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.821 -3.065 -1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.812 -4.731 -1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.690 -5.584 -0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.847 -6.445 -0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.728 -7.303 1.326 1.00 0.00 H new ATOM 0 HH TYR A 48 2.902 -8.352 1.995 1.00 0.00 H new ATOM 685 N GLU A 49 3.007 -2.816 -4.490 1.00 0.00 N ATOM 686 CA GLU A 49 2.665 -1.672 -5.328 1.00 0.00 C ATOM 687 C GLU A 49 1.854 -0.646 -4.543 1.00 0.00 C ATOM 688 O GLU A 49 0.780 -0.952 -4.022 1.00 0.00 O ATOM 689 CB GLU A 49 1.877 -2.130 -6.557 1.00 0.00 C ATOM 690 CG GLU A 49 2.097 -1.257 -7.781 1.00 0.00 C ATOM 691 CD GLU A 49 1.081 -1.520 -8.876 1.00 0.00 C ATOM 692 OE1 GLU A 49 -0.018 -0.930 -8.818 1.00 0.00 O ATOM 693 OE2 GLU A 49 1.385 -2.316 -9.789 1.00 0.00 O ATOM 0 H GLU A 49 2.205 -3.294 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 49 3.593 -1.203 -5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.158 -3.155 -6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.814 -2.140 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.047 -0.208 -7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.100 -1.431 -8.171 1.00 0.00 H new ATOM 700 N LEU A 50 2.374 0.574 -4.461 1.00 0.00 N ATOM 701 CA LEU A 50 1.700 1.647 -3.739 1.00 0.00 C ATOM 702 C LEU A 50 0.828 2.472 -4.681 1.00 0.00 C ATOM 703 O LEU A 50 1.325 3.074 -5.632 1.00 0.00 O ATOM 704 CB LEU A 50 2.726 2.550 -3.052 1.00 0.00 C ATOM 705 CG LEU A 50 2.182 3.477 -1.965 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.827 2.685 -0.716 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.194 4.566 -1.638 1.00 0.00 C ATOM 0 H LEU A 50 3.261 0.845 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 50 1.059 1.196 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.498 1.919 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.210 3.161 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 50 1.275 3.951 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.442 3.362 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.067 1.942 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.718 2.182 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.790 5.217 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.118 4.109 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.399 5.153 -2.533 1.00 0.00 H new ATOM 719 N GLN A 51 -0.472 2.497 -4.406 1.00 0.00 N ATOM 720 CA GLN A 51 -1.411 3.250 -5.228 1.00 0.00 C ATOM 721 C GLN A 51 -2.088 4.348 -4.414 1.00 0.00 C ATOM 722 O GLN A 51 -2.852 4.069 -3.491 1.00 0.00 O ATOM 723 CB GLN A 51 -2.467 2.315 -5.821 1.00 0.00 C ATOM 724 CG GLN A 51 -1.882 1.193 -6.664 1.00 0.00 C ATOM 725 CD GLN A 51 -2.836 0.713 -7.740 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.040 0.596 -7.511 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.301 0.432 -8.922 1.00 0.00 N ATOM 0 H GLN A 51 -0.898 2.005 -3.621 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.851 3.716 -6.039 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.053 1.882 -5.010 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.154 2.899 -6.434 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.959 1.537 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.620 0.356 -6.017 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.298 0.544 -9.067 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.893 0.105 -9.685 1.00 0.00 H new ATOM 736 N TYR A 52 -1.801 5.598 -4.763 1.00 0.00 N ATOM 737 CA TYR A 52 -2.379 6.739 -4.063 1.00 0.00 C ATOM 738 C TYR A 52 -2.880 7.787 -5.051 1.00 0.00 C ATOM 739 O TYR A 52 -2.449 7.829 -6.204 1.00 0.00 O ATOM 740 CB TYR A 52 -1.348 7.361 -3.120 1.00 0.00 C ATOM 741 CG TYR A 52 -0.099 7.843 -3.823 1.00 0.00 C ATOM 742 CD1 TYR A 52 0.770 6.945 -4.431 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.213 9.196 -3.879 1.00 0.00 C ATOM 744 CE1 TYR A 52 1.913 7.381 -5.073 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.353 9.641 -4.520 1.00 0.00 C ATOM 746 CZ TYR A 52 2.200 8.729 -5.115 1.00 0.00 C ATOM 747 OH TYR A 52 3.337 9.167 -5.755 1.00 0.00 O ATOM 0 H TYR A 52 -1.172 5.846 -5.526 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.227 6.383 -3.478 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.806 8.199 -2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.069 6.627 -2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.548 5.888 -4.401 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.447 9.912 -3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.578 6.670 -5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.580 10.696 -4.555 1.00 0.00 H new ATOM 0 HH TYR A 52 3.391 10.144 -5.694 1.00 0.00 H new ATOM 757 N THR A 53 -3.795 8.636 -4.591 1.00 0.00 N ATOM 758 CA THR A 53 -4.356 9.685 -5.432 1.00 0.00 C ATOM 759 C THR A 53 -5.035 10.760 -4.591 1.00 0.00 C ATOM 760 O THR A 53 -5.589 10.473 -3.530 1.00 0.00 O ATOM 761 CB THR A 53 -5.376 9.114 -6.436 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.724 10.113 -7.402 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.630 8.635 -5.720 1.00 0.00 C ATOM 0 H THR A 53 -4.163 8.617 -3.640 1.00 0.00 H new ATOM 0 HA THR A 53 -3.525 10.128 -5.981 1.00 0.00 H new ATOM 0 HB THR A 53 -4.918 8.264 -6.942 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.371 9.742 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.335 8.236 -6.449 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.366 7.855 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.089 9.470 -5.191 1.00 0.00 H new ATOM 771 N ILE A 54 -4.988 11.998 -5.071 1.00 0.00 N ATOM 772 CA ILE A 54 -5.600 13.115 -4.364 1.00 0.00 C ATOM 773 C ILE A 54 -7.122 13.029 -4.411 1.00 0.00 C ATOM 774 O ILE A 54 -7.720 13.020 -5.487 1.00 0.00 O ATOM 775 CB ILE A 54 -5.155 14.467 -4.953 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.671 14.708 -4.669 1.00 0.00 C ATOM 777 CG2 ILE A 54 -6.000 15.597 -4.384 1.00 0.00 C ATOM 778 CD1 ILE A 54 -3.031 15.707 -5.607 1.00 0.00 C ATOM 0 H ILE A 54 -4.532 12.252 -5.947 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.267 13.052 -3.328 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.299 14.441 -6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.558 15.060 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.137 13.760 -4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.673 16.546 -4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.048 15.429 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.885 15.627 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.979 15.828 -5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.112 15.347 -6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.540 16.667 -5.518 1.00 0.00 H new ATOM 790 N PHE A 55 -7.743 12.966 -3.238 1.00 0.00 N ATOM 791 CA PHE A 55 -9.195 12.881 -3.145 1.00 0.00 C ATOM 792 C PHE A 55 -9.796 14.231 -2.761 1.00 0.00 C ATOM 793 O PHE A 55 -9.589 14.722 -1.651 1.00 0.00 O ATOM 794 CB PHE A 55 -9.601 11.820 -2.121 1.00 0.00 C ATOM 795 CG PHE A 55 -11.087 11.636 -2.005 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.856 12.540 -1.289 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.716 10.560 -2.610 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.224 12.373 -1.180 1.00 0.00 C ATOM 799 CE2 PHE A 55 -13.083 10.388 -2.505 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.838 11.297 -1.789 1.00 0.00 C ATOM 0 H PHE A 55 -7.263 12.972 -2.338 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.580 12.597 -4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.146 10.869 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.200 12.096 -1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.381 13.384 -0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.130 9.847 -3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.812 13.084 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.560 9.545 -2.982 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.907 11.166 -1.706 1.00 0.00 H new ATOM 1050 N MET A 72 -1.322 7.223 -8.733 1.00 0.00 N ATOM 1051 CA MET A 72 0.134 7.141 -8.696 1.00 0.00 C ATOM 1052 C MET A 72 0.589 5.758 -8.242 1.00 0.00 C ATOM 1053 O MET A 72 0.159 5.264 -7.199 1.00 0.00 O ATOM 1054 CB MET A 72 0.702 8.211 -7.761 1.00 0.00 C ATOM 1055 CG MET A 72 0.882 9.566 -8.425 1.00 0.00 C ATOM 1056 SD MET A 72 0.652 10.938 -7.278 1.00 0.00 S ATOM 1057 CE MET A 72 -1.114 10.852 -6.996 1.00 0.00 C ATOM 0 HA MET A 72 0.509 7.314 -9.705 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.038 8.321 -6.903 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.665 7.873 -7.378 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.880 9.624 -8.859 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.172 9.661 -9.246 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.587 11.759 -7.372 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.524 9.986 -7.516 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.308 10.758 -5.927 1.00 0.00 H new ATOM 1067 N ILE A 73 1.460 5.138 -9.031 1.00 0.00 N ATOM 1068 CA ILE A 73 1.974 3.813 -8.709 1.00 0.00 C ATOM 1069 C ILE A 73 3.488 3.838 -8.532 1.00 0.00 C ATOM 1070 O ILE A 73 4.200 4.507 -9.281 1.00 0.00 O ATOM 1071 CB ILE A 73 1.612 2.789 -9.801 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.100 2.772 -10.035 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.109 1.404 -9.413 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.365 3.789 -11.054 1.00 0.00 C ATOM 0 H ILE A 73 1.824 5.532 -9.898 1.00 0.00 H new ATOM 0 HA ILE A 73 1.507 3.512 -7.771 1.00 0.00 H new ATOM 0 HB ILE A 73 2.101 3.083 -10.730 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.197 1.777 -10.365 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.408 2.959 -9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.846 0.691 -10.194 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.192 1.427 -9.292 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.646 1.101 -8.474 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.447 3.720 -11.169 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.099 4.791 -10.716 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.115 3.590 -12.012 1.00 0.00 H new ATOM 1086 N VAL A 74 3.975 3.102 -7.538 1.00 0.00 N ATOM 1087 CA VAL A 74 5.405 3.036 -7.265 1.00 0.00 C ATOM 1088 C VAL A 74 5.853 1.600 -7.018 1.00 0.00 C ATOM 1089 O VAL A 74 5.855 1.110 -5.888 1.00 0.00 O ATOM 1090 CB VAL A 74 5.783 3.897 -6.045 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.247 3.697 -5.683 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.488 5.364 -6.316 1.00 0.00 C ATOM 0 H VAL A 74 3.399 2.543 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 74 5.914 3.425 -8.147 1.00 0.00 H new ATOM 0 HB VAL A 74 5.177 3.579 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.496 4.313 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.423 2.648 -5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.873 3.986 -6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.761 5.957 -5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.066 5.698 -7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.425 5.489 -6.522 1.00 0.00 H new ATOM 1102 N PRO A 75 6.241 0.907 -8.099 1.00 0.00 N ATOM 1103 CA PRO A 75 6.699 -0.483 -8.025 1.00 0.00 C ATOM 1104 C PRO A 75 8.053 -0.612 -7.335 1.00 0.00 C ATOM 1105 O PRO A 75 8.600 0.369 -6.833 1.00 0.00 O ATOM 1106 CB PRO A 75 6.806 -0.900 -9.494 1.00 0.00 C ATOM 1107 CG PRO A 75 7.023 0.375 -10.234 1.00 0.00 C ATOM 1108 CD PRO A 75 6.264 1.428 -9.476 1.00 0.00 C ATOM 0 HA PRO A 75 6.021 -1.104 -7.439 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.632 -1.594 -9.650 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.899 -1.403 -9.830 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.084 0.620 -10.286 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.663 0.297 -11.260 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.759 2.398 -9.531 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.257 1.561 -9.872 1.00 0.00 H new ATOM 1116 N ASN A 76 8.588 -1.829 -7.313 1.00 0.00 N ATOM 1117 CA ASN A 76 9.878 -2.085 -6.684 1.00 0.00 C ATOM 1118 C ASN A 76 9.823 -1.789 -5.189 1.00 0.00 C ATOM 1119 O ASN A 76 10.703 -1.120 -4.645 1.00 0.00 O ATOM 1120 CB ASN A 76 10.968 -1.237 -7.343 1.00 0.00 C ATOM 1121 CG ASN A 76 11.254 -1.670 -8.769 1.00 0.00 C ATOM 1122 OD1 ASN A 76 12.297 -2.258 -9.054 1.00 0.00 O ATOM 1123 ND2 ASN A 76 10.325 -1.379 -9.672 1.00 0.00 N ATOM 0 H ASN A 76 8.148 -2.653 -7.723 1.00 0.00 H new ATOM 0 HA ASN A 76 10.116 -3.140 -6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.663 -0.190 -7.338 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.883 -1.305 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.461 -1.644 -10.647 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.475 -0.890 -9.390 1.00 0.00 H new ATOM 1130 N ILE A 77 8.784 -2.291 -4.530 1.00 0.00 N ATOM 1131 CA ILE A 77 8.615 -2.081 -3.097 1.00 0.00 C ATOM 1132 C ILE A 77 8.830 -3.377 -2.323 1.00 0.00 C ATOM 1133 O ILE A 77 8.183 -4.389 -2.593 1.00 0.00 O ATOM 1134 CB ILE A 77 7.215 -1.527 -2.771 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.936 -0.269 -3.595 1.00 0.00 C ATOM 1136 CG2 ILE A 77 7.097 -1.230 -1.283 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.584 0.350 -3.313 1.00 0.00 C ATOM 0 H ILE A 77 8.047 -2.846 -4.965 1.00 0.00 H new ATOM 0 HA ILE A 77 9.365 -1.351 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 77 6.472 -2.281 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.713 0.468 -3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.999 -0.517 -4.655 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.102 -0.839 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.258 -2.146 -0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.846 -0.491 -0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.454 1.238 -3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.799 -0.371 -3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.524 0.629 -2.261 1.00 0.00 H new ATOM 1149 N LYS A 78 9.741 -3.338 -1.357 1.00 0.00 N ATOM 1150 CA LYS A 78 10.041 -4.508 -0.540 1.00 0.00 C ATOM 1151 C LYS A 78 10.128 -4.132 0.936 1.00 0.00 C ATOM 1152 O LYS A 78 11.008 -4.605 1.655 1.00 0.00 O ATOM 1153 CB LYS A 78 11.355 -5.149 -0.992 1.00 0.00 C ATOM 1154 CG LYS A 78 11.367 -5.541 -2.459 1.00 0.00 C ATOM 1155 CD LYS A 78 11.984 -4.454 -3.322 1.00 0.00 C ATOM 1156 CE LYS A 78 12.178 -4.923 -4.756 1.00 0.00 C ATOM 1157 NZ LYS A 78 12.946 -3.935 -5.564 1.00 0.00 N ATOM 0 H LYS A 78 10.285 -2.508 -1.120 1.00 0.00 H new ATOM 0 HA LYS A 78 9.231 -5.226 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.173 -4.453 -0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.545 -6.035 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.927 -6.468 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.348 -5.737 -2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.344 -3.572 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.945 -4.156 -2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.702 -5.879 -4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.205 -5.092 -5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.042 -4.284 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.443 -3.025 -5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.890 -3.806 -5.148 1.00 0.00 H new ATOM 1171 N GLN A 79 9.209 -3.281 1.381 1.00 0.00 N ATOM 1172 CA GLN A 79 9.182 -2.844 2.772 1.00 0.00 C ATOM 1173 C GLN A 79 7.763 -2.887 3.329 1.00 0.00 C ATOM 1174 O GLN A 79 6.822 -3.259 2.629 1.00 0.00 O ATOM 1175 CB GLN A 79 9.749 -1.429 2.894 1.00 0.00 C ATOM 1176 CG GLN A 79 8.891 -0.370 2.220 1.00 0.00 C ATOM 1177 CD GLN A 79 9.252 -0.169 0.761 1.00 0.00 C ATOM 1178 OE1 GLN A 79 9.788 -1.068 0.113 1.00 0.00 O ATOM 1179 NE2 GLN A 79 8.959 1.015 0.236 1.00 0.00 N ATOM 0 H GLN A 79 8.474 -2.881 0.799 1.00 0.00 H new ATOM 0 HA GLN A 79 9.801 -3.527 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.857 -1.180 3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.748 -1.408 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 79 7.842 -0.656 2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.002 0.575 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.515 1.732 0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.178 1.208 -0.741 1.00 0.00 H new ATOM 1188 N ASN A 80 7.617 -2.503 4.593 1.00 0.00 N ATOM 1189 CA ASN A 80 6.313 -2.499 5.245 1.00 0.00 C ATOM 1190 C ASN A 80 5.819 -1.072 5.464 1.00 0.00 C ATOM 1191 O ASN A 80 4.880 -0.838 6.226 1.00 0.00 O ATOM 1192 CB ASN A 80 6.385 -3.236 6.583 1.00 0.00 C ATOM 1193 CG ASN A 80 6.728 -4.704 6.417 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.787 -5.050 5.892 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.832 -5.575 6.864 1.00 0.00 N ATOM 0 H ASN A 80 8.386 -2.191 5.186 1.00 0.00 H new ATOM 0 HA ASN A 80 5.607 -3.014 4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.133 -2.760 7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.428 -3.145 7.097 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.008 -6.576 6.779 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.968 -5.243 7.292 1.00 0.00 H new ATOM 1202 N HIS A 81 6.457 -0.121 4.789 1.00 0.00 N ATOM 1203 CA HIS A 81 6.082 1.284 4.909 1.00 0.00 C ATOM 1204 C HIS A 81 6.846 2.138 3.902 1.00 0.00 C ATOM 1205 O HIS A 81 8.077 2.169 3.907 1.00 0.00 O ATOM 1206 CB HIS A 81 6.350 1.786 6.328 1.00 0.00 C ATOM 1207 CG HIS A 81 7.595 1.219 6.939 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.578 0.319 7.983 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.899 1.429 6.646 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.819 0.000 8.307 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.640 0.660 7.510 1.00 0.00 N ATOM 0 H HIS A 81 7.235 -0.297 4.154 1.00 0.00 H new ATOM 0 HA HIS A 81 5.016 1.369 4.697 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.426 2.873 6.312 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.498 1.535 6.960 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.286 2.080 5.876 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.112 -0.684 9.090 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.658 0.607 7.532 1.00 0.00 H new ATOM 1220 N TYR A 82 6.109 2.828 3.039 1.00 0.00 N ATOM 1221 CA TYR A 82 6.718 3.679 2.023 1.00 0.00 C ATOM 1222 C TYR A 82 6.353 5.143 2.251 1.00 0.00 C ATOM 1223 O TYR A 82 5.182 5.521 2.194 1.00 0.00 O ATOM 1224 CB TYR A 82 6.272 3.242 0.627 1.00 0.00 C ATOM 1225 CG TYR A 82 6.816 4.113 -0.483 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.408 5.434 -0.620 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.739 3.614 -1.394 1.00 0.00 C ATOM 1228 CE1 TYR A 82 6.902 6.233 -1.633 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.239 4.406 -2.409 1.00 0.00 C ATOM 1230 CZ TYR A 82 7.818 5.715 -2.524 1.00 0.00 C ATOM 1231 OH TYR A 82 8.314 6.507 -3.535 1.00 0.00 O ATOM 0 H TYR A 82 5.089 2.815 3.022 1.00 0.00 H new ATOM 0 HA TYR A 82 7.800 3.576 2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.590 2.213 0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.183 3.250 0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.692 5.843 0.078 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.071 2.590 -1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.573 7.257 -1.726 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.956 4.003 -3.109 1.00 0.00 H new ATOM 0 HH TYR A 82 8.949 5.990 -4.074 1.00 0.00 H new ATOM 1241 N THR A 83 7.366 5.965 2.508 1.00 0.00 N ATOM 1242 CA THR A 83 7.155 7.388 2.745 1.00 0.00 C ATOM 1243 C THR A 83 6.958 8.140 1.434 1.00 0.00 C ATOM 1244 O THR A 83 7.890 8.281 0.642 1.00 0.00 O ATOM 1245 CB THR A 83 8.337 8.012 3.509 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.676 7.198 4.638 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.998 9.419 3.977 1.00 0.00 C ATOM 0 H THR A 83 8.341 5.669 2.557 1.00 0.00 H new ATOM 0 HA THR A 83 6.253 7.477 3.351 1.00 0.00 H new ATOM 0 HB THR A 83 9.189 8.067 2.831 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.430 7.601 5.117 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.849 9.839 4.514 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.769 10.044 3.114 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.133 9.384 4.639 1.00 0.00 H new ATOM 1255 N VAL A 84 5.740 8.622 1.211 1.00 0.00 N ATOM 1256 CA VAL A 84 5.421 9.362 -0.005 1.00 0.00 C ATOM 1257 C VAL A 84 5.779 10.837 0.141 1.00 0.00 C ATOM 1258 O VAL A 84 5.308 11.514 1.055 1.00 0.00 O ATOM 1259 CB VAL A 84 3.928 9.240 -0.361 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.624 9.986 -1.652 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.526 7.777 -0.474 1.00 0.00 C ATOM 0 H VAL A 84 4.957 8.514 1.856 1.00 0.00 H new ATOM 0 HA VAL A 84 6.014 8.924 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 84 3.343 9.694 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.564 9.889 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.873 11.040 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.216 9.564 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.468 7.709 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.117 7.297 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.705 7.276 0.477 1.00 0.00 H new ATOM 1271 N HIS A 85 6.614 11.331 -0.768 1.00 0.00 N ATOM 1272 CA HIS A 85 7.034 12.727 -0.742 1.00 0.00 C ATOM 1273 C HIS A 85 6.399 13.507 -1.889 1.00 0.00 C ATOM 1274 O HIS A 85 6.223 12.982 -2.988 1.00 0.00 O ATOM 1275 CB HIS A 85 8.558 12.825 -0.826 1.00 0.00 C ATOM 1276 CG HIS A 85 9.260 12.282 0.381 1.00 0.00 C ATOM 1277 ND1 HIS A 85 10.526 12.679 0.757 1.00 0.00 N ATOM 1278 CD2 HIS A 85 8.865 11.370 1.300 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.880 12.033 1.854 1.00 0.00 C ATOM 1280 NE2 HIS A 85 9.889 11.233 2.204 1.00 0.00 N ATOM 0 H HIS A 85 7.013 10.785 -1.532 1.00 0.00 H new ATOM 0 HA HIS A 85 6.700 13.163 0.200 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.901 12.285 -1.709 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.840 13.869 -0.961 1.00 0.00 H new ATOM 0 HD1 HIS A 85 11.100 13.364 0.265 1.00 0.00 H new ATOM 0 HD2 HIS A 85 7.920 10.847 1.319 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.820 12.141 2.376 1.00 0.00 H new ATOM 1289 N GLY A 86 6.057 14.764 -1.626 1.00 0.00 N ATOM 1290 CA GLY A 86 5.444 15.596 -2.645 1.00 0.00 C ATOM 1291 C GLY A 86 3.930 15.591 -2.565 1.00 0.00 C ATOM 1292 O GLY A 86 3.247 15.458 -3.581 1.00 0.00 O ATOM 0 H GLY A 86 6.194 15.222 -0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.807 16.619 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.754 15.246 -3.630 1.00 0.00 H new ATOM 1296 N LEU A 87 3.404 15.736 -1.354 1.00 0.00 N ATOM 1297 CA LEU A 87 1.960 15.746 -1.144 1.00 0.00 C ATOM 1298 C LEU A 87 1.463 17.157 -0.847 1.00 0.00 C ATOM 1299 O LEU A 87 2.249 18.103 -0.794 1.00 0.00 O ATOM 1300 CB LEU A 87 1.585 14.809 0.006 1.00 0.00 C ATOM 1301 CG LEU A 87 2.003 13.347 -0.157 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.894 12.610 1.169 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.154 12.665 -1.220 1.00 0.00 C ATOM 0 H LEU A 87 3.955 15.848 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 87 1.482 15.397 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.032 15.194 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.504 14.844 0.139 1.00 0.00 H new ATOM 0 HG LEU A 87 3.044 13.320 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.195 11.571 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.545 13.084 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.863 12.646 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.465 11.625 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.105 12.702 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.283 13.178 -2.173 1.00 0.00 H new ATOM 1315 N GLN A 88 0.155 17.290 -0.652 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.445 18.586 -0.358 1.00 0.00 C ATOM 1317 C GLN A 88 -0.872 18.670 1.103 1.00 0.00 C ATOM 1318 O GLN A 88 -1.067 17.649 1.763 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.650 18.831 -1.269 1.00 0.00 C ATOM 1320 CG GLN A 88 -1.315 18.773 -2.750 1.00 0.00 C ATOM 1321 CD GLN A 88 -0.186 19.710 -3.130 1.00 0.00 C ATOM 1322 OE1 GLN A 88 -0.193 20.888 -2.770 1.00 0.00 O ATOM 1323 NE2 GLN A 88 0.793 19.192 -3.862 1.00 0.00 N ATOM 0 H GLN A 88 -0.509 16.517 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 88 0.304 19.356 -0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.418 18.089 -1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.076 19.808 -1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.040 17.752 -3.017 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.203 19.026 -3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.759 18.211 -4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.579 19.775 -4.148 1.00 0.00 H new ATOM 1332 N SER A 89 -1.015 19.893 1.604 1.00 0.00 N ATOM 1333 CA SER A 89 -1.414 20.110 2.989 1.00 0.00 C ATOM 1334 C SER A 89 -2.933 20.194 3.110 1.00 0.00 C ATOM 1335 O SER A 89 -3.617 20.632 2.187 1.00 0.00 O ATOM 1336 CB SER A 89 -0.777 21.391 3.532 1.00 0.00 C ATOM 1337 OG SER A 89 -1.153 22.516 2.756 1.00 0.00 O ATOM 0 H SER A 89 -0.860 20.749 1.071 1.00 0.00 H new ATOM 0 HA SER A 89 -1.066 19.262 3.578 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.081 21.542 4.568 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.308 21.290 3.530 1.00 0.00 H new ATOM 0 HG SER A 89 -0.735 23.322 3.124 1.00 0.00 H new ATOM 1343 N GLY A 90 -3.453 19.769 4.258 1.00 0.00 N ATOM 1344 CA GLY A 90 -4.887 19.804 4.479 1.00 0.00 C ATOM 1345 C GLY A 90 -5.670 19.260 3.300 1.00 0.00 C ATOM 1346 O GLY A 90 -6.656 19.859 2.870 1.00 0.00 O ATOM 0 H GLY A 90 -2.908 19.402 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.128 19.224 5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.196 20.831 4.674 1.00 0.00 H new ATOM 1350 N THR A 91 -5.229 18.122 2.774 1.00 0.00 N ATOM 1351 CA THR A 91 -5.892 17.499 1.635 1.00 0.00 C ATOM 1352 C THR A 91 -6.039 15.995 1.839 1.00 0.00 C ATOM 1353 O THR A 91 -5.142 15.341 2.373 1.00 0.00 O ATOM 1354 CB THR A 91 -5.122 17.755 0.326 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.975 19.163 0.112 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.843 17.129 -0.858 1.00 0.00 C ATOM 0 H THR A 91 -4.415 17.613 3.119 1.00 0.00 H new ATOM 0 HA THR A 91 -6.881 17.951 1.560 1.00 0.00 H new ATOM 0 HB THR A 91 -4.137 17.296 0.414 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.449 19.552 0.842 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.280 17.323 -1.771 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.927 16.053 -0.705 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.840 17.562 -0.947 1.00 0.00 H new ATOM 1364 N ARG A 92 -7.174 15.452 1.411 1.00 0.00 N ATOM 1365 CA ARG A 92 -7.437 14.025 1.548 1.00 0.00 C ATOM 1366 C ARG A 92 -6.578 13.218 0.579 1.00 0.00 C ATOM 1367 O ARG A 92 -6.435 13.580 -0.589 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.918 13.732 1.299 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.794 13.940 2.524 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.997 13.010 2.512 1.00 0.00 C ATOM 1371 NE ARG A 92 -12.113 13.549 3.284 1.00 0.00 N ATOM 1372 CZ ARG A 92 -12.990 14.420 2.797 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -12.881 14.848 1.547 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -13.979 14.865 3.562 1.00 0.00 N ATOM 0 H ARG A 92 -7.926 15.979 0.967 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.181 13.730 2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.276 14.373 0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.024 12.702 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.207 13.766 3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.133 14.975 2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.315 12.842 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.710 12.040 2.919 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.225 13.240 4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.122 14.509 0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.556 15.517 1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.066 14.538 4.524 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.652 15.534 3.188 1.00 0.00 H new ATOM 1388 N TYR A 93 -6.007 12.125 1.072 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.159 11.268 0.251 1.00 0.00 C ATOM 1390 C TYR A 93 -5.483 9.796 0.485 1.00 0.00 C ATOM 1391 O TYR A 93 -5.275 9.270 1.578 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.684 11.533 0.556 1.00 0.00 C ATOM 1393 CG TYR A 93 -3.069 12.608 -0.311 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.499 12.297 -1.540 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -3.060 13.936 0.097 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -1.936 13.276 -2.334 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -2.500 14.922 -0.692 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.939 14.587 -1.906 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.381 15.566 -2.696 1.00 0.00 O ATOM 0 H TYR A 93 -6.116 11.811 2.036 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.354 11.501 -0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.584 11.821 1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.123 10.608 0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.497 11.272 -1.880 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.498 14.202 1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.496 13.017 -3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.502 15.950 -0.360 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.827 15.151 -3.389 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.992 9.137 -0.551 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.343 7.726 -0.460 1.00 0.00 C ATOM 1411 C ILE A 94 -5.175 6.841 -0.881 1.00 0.00 C ATOM 1412 O ILE A 94 -4.508 7.108 -1.880 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.566 7.392 -1.334 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.777 8.216 -0.892 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.877 5.904 -1.265 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.989 8.035 -1.779 1.00 0.00 C ATOM 0 H ILE A 94 -6.170 9.558 -1.463 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.588 7.529 0.584 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.335 7.647 -2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -9.040 7.941 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.502 9.271 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.744 5.684 -1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.019 5.336 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.091 5.625 -0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.808 8.649 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.743 8.338 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.290 6.987 -1.775 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.933 5.784 -0.112 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.846 4.858 -0.405 1.00 0.00 C ATOM 1430 C PHE A 95 -4.369 3.431 -0.545 1.00 0.00 C ATOM 1431 O PHE A 95 -5.285 3.022 0.169 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.785 4.918 0.697 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.087 6.245 0.784 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -0.956 6.499 0.025 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -2.561 7.239 1.625 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -0.311 7.718 0.104 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -1.920 8.460 1.709 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.794 8.701 0.946 1.00 0.00 C ATOM 0 H PHE A 95 -5.475 5.548 0.719 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.395 5.155 -1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.255 4.700 1.656 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.045 4.138 0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.574 5.735 -0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -3.442 7.057 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.570 7.902 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.299 9.225 2.370 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.292 9.656 1.008 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.781 2.680 -1.470 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.188 1.300 -1.704 1.00 0.00 C ATOM 1450 C ILE A 96 -2.994 0.434 -2.092 1.00 0.00 C ATOM 1451 O ILE A 96 -2.442 0.572 -3.184 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.256 1.207 -2.809 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.608 1.696 -2.284 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.366 -0.221 -3.321 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.627 1.940 -3.375 1.00 0.00 C ATOM 0 H ILE A 96 -3.022 3.004 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.612 0.933 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.956 1.847 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.005 0.960 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.459 2.619 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.125 -0.270 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.405 -0.536 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.646 -0.881 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.561 2.285 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.250 2.698 -4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.805 1.013 -3.920 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.601 -0.461 -1.191 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.475 -1.353 -1.440 1.00 0.00 C ATOM 1469 C VAL A 97 -1.904 -2.566 -2.258 1.00 0.00 C ATOM 1470 O VAL A 97 -2.949 -3.164 -2.000 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.838 -1.834 -0.123 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.257 -2.853 -0.400 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.294 -0.655 0.668 1.00 0.00 C ATOM 0 H VAL A 97 -3.046 -0.587 -0.282 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.738 -0.782 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.608 -2.319 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.695 -3.181 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.168 -3.711 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.029 -2.398 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.152 -1.014 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.463 -0.139 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.106 0.034 0.899 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.091 -2.924 -3.246 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.384 -4.068 -4.102 1.00 0.00 C ATOM 1485 C LYS A 98 -0.216 -5.049 -4.118 1.00 0.00 C ATOM 1486 O LYS A 98 0.870 -4.727 -4.599 1.00 0.00 O ATOM 1487 CB LYS A 98 -1.690 -3.599 -5.526 1.00 0.00 C ATOM 1488 CG LYS A 98 -1.709 -4.725 -6.546 1.00 0.00 C ATOM 1489 CD LYS A 98 -1.150 -4.273 -7.885 1.00 0.00 C ATOM 1490 CE LYS A 98 -2.171 -3.464 -8.670 1.00 0.00 C ATOM 1491 NZ LYS A 98 -2.739 -2.351 -7.859 1.00 0.00 N ATOM 0 H LYS A 98 -0.224 -2.438 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.258 -4.579 -3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.657 -3.096 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.945 -2.862 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.125 -5.566 -6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.731 -5.080 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.255 -3.672 -7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.848 -5.144 -8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.701 -3.058 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.976 -4.119 -9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.326 -1.744 -8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.323 -2.743 -7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.965 -1.789 -7.451 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.448 -6.247 -3.591 1.00 0.00 N ATOM 1506 CA ALA A 99 0.583 -7.275 -3.548 1.00 0.00 C ATOM 1507 C ALA A 99 0.667 -8.024 -4.874 1.00 0.00 C ATOM 1508 O ALA A 99 -0.349 -8.462 -5.415 1.00 0.00 O ATOM 1509 CB ALA A 99 0.314 -8.246 -2.408 1.00 0.00 C ATOM 0 H ALA A 99 -1.342 -6.529 -3.188 1.00 0.00 H new ATOM 0 HA ALA A 99 1.542 -6.786 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.093 -9.009 -2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.312 -7.705 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.656 -8.721 -2.556 1.00 0.00 H new ATOM 1515 N ILE A 100 1.882 -8.166 -5.392 1.00 0.00 N ATOM 1516 CA ILE A 100 2.097 -8.862 -6.655 1.00 0.00 C ATOM 1517 C ILE A 100 3.093 -10.005 -6.490 1.00 0.00 C ATOM 1518 O ILE A 100 4.091 -9.875 -5.783 1.00 0.00 O ATOM 1519 CB ILE A 100 2.610 -7.904 -7.746 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.555 -6.840 -8.057 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.975 -8.679 -9.003 1.00 0.00 C ATOM 1522 CD1 ILE A 100 2.143 -5.522 -8.512 1.00 0.00 C ATOM 0 H ILE A 100 2.733 -7.809 -4.957 1.00 0.00 H new ATOM 0 HA ILE A 100 1.132 -9.265 -6.961 1.00 0.00 H new ATOM 0 HB ILE A 100 3.506 -7.404 -7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.887 -7.217 -8.831 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.948 -6.670 -7.168 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.336 -7.988 -9.765 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.756 -9.403 -8.770 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.095 -9.203 -9.376 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.338 -4.815 -8.715 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.789 -5.122 -7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.726 -5.678 -9.420 1.00 0.00 H new ATOM 1534 N ASN A 101 2.814 -11.125 -7.149 1.00 0.00 N ATOM 1535 CA ASN A 101 3.686 -12.292 -7.076 1.00 0.00 C ATOM 1536 C ASN A 101 3.569 -13.138 -8.340 1.00 0.00 C ATOM 1537 O ASN A 101 2.818 -12.802 -9.256 1.00 0.00 O ATOM 1538 CB ASN A 101 3.340 -13.138 -5.849 1.00 0.00 C ATOM 1539 CG ASN A 101 1.937 -13.711 -5.919 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.979 -13.001 -6.225 1.00 0.00 O ATOM 1541 ND2 ASN A 101 1.811 -15.002 -5.635 1.00 0.00 N ATOM 0 H ASN A 101 1.991 -11.249 -7.739 1.00 0.00 H new ATOM 0 HA ASN A 101 4.714 -11.941 -6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 101 4.058 -13.953 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.436 -12.527 -4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 101 0.892 -15.444 -5.666 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.633 -15.552 -5.386 1.00 0.00 H new ATOM 1548 N GLN A 102 4.316 -14.237 -8.382 1.00 0.00 N ATOM 1549 CA GLN A 102 4.296 -15.131 -9.534 1.00 0.00 C ATOM 1550 C GLN A 102 2.869 -15.545 -9.876 1.00 0.00 C ATOM 1551 O GLN A 102 2.531 -15.738 -11.044 1.00 0.00 O ATOM 1552 CB GLN A 102 5.147 -16.371 -9.258 1.00 0.00 C ATOM 1553 CG GLN A 102 5.009 -17.452 -10.319 1.00 0.00 C ATOM 1554 CD GLN A 102 5.986 -18.594 -10.119 1.00 0.00 C ATOM 1555 OE1 GLN A 102 6.143 -19.104 -9.009 1.00 0.00 O ATOM 1556 NE2 GLN A 102 6.649 -19.002 -11.195 1.00 0.00 N ATOM 0 H GLN A 102 4.942 -14.529 -7.632 1.00 0.00 H new ATOM 0 HA GLN A 102 4.714 -14.595 -10.386 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.194 -16.075 -9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.867 -16.786 -8.290 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.991 -17.843 -10.304 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.167 -17.012 -11.304 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.487 -18.550 -12.095 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.320 -19.767 -11.121 1.00 0.00 H new ATOM 1565 N ALA A 103 2.035 -15.681 -8.850 1.00 0.00 N ATOM 1566 CA ALA A 103 0.644 -16.071 -9.043 1.00 0.00 C ATOM 1567 C ALA A 103 -0.146 -14.964 -9.733 1.00 0.00 C ATOM 1568 O ALA A 103 -0.515 -15.086 -10.900 1.00 0.00 O ATOM 1569 CB ALA A 103 0.005 -16.424 -7.708 1.00 0.00 C ATOM 0 H ALA A 103 2.299 -15.527 -7.877 1.00 0.00 H new ATOM 0 HA ALA A 103 0.625 -16.950 -9.687 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.034 -16.713 -7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.547 -17.253 -7.253 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.043 -15.559 -7.046 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.404 -13.883 -9.003 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.149 -12.770 -9.561 1.00 0.00 C ATOM 1577 C GLY A 104 -0.957 -11.490 -8.773 1.00 0.00 C ATOM 1578 O GLY A 104 0.155 -11.174 -8.351 1.00 0.00 O ATOM 0 H GLY A 104 -0.110 -13.758 -8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.836 -12.608 -10.593 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.209 -13.022 -9.585 1.00 0.00 H new ATOM 1582 N SER A 105 -2.044 -10.749 -8.577 1.00 0.00 N ATOM 1583 CA SER A 105 -1.989 -9.493 -7.839 1.00 0.00 C ATOM 1584 C SER A 105 -3.312 -9.220 -7.131 1.00 0.00 C ATOM 1585 O SER A 105 -4.385 -9.496 -7.669 1.00 0.00 O ATOM 1586 CB SER A 105 -1.654 -8.337 -8.783 1.00 0.00 C ATOM 1587 OG SER A 105 -2.514 -8.334 -9.910 1.00 0.00 O ATOM 0 H SER A 105 -2.972 -10.997 -8.919 1.00 0.00 H new ATOM 0 HA SER A 105 -1.205 -9.577 -7.086 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.744 -7.390 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.618 -8.420 -9.112 1.00 0.00 H new ATOM 0 HG SER A 105 -2.281 -7.585 -10.497 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.229 -8.675 -5.922 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.419 -8.366 -5.139 1.00 0.00 C ATOM 1595 C ARG A 106 -4.442 -6.892 -4.745 1.00 0.00 C ATOM 1596 O ARG A 106 -3.397 -6.280 -4.530 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.473 -9.241 -3.885 1.00 0.00 C ATOM 1598 CG ARG A 106 -5.815 -9.203 -3.173 1.00 0.00 C ATOM 1599 CD ARG A 106 -6.824 -10.128 -3.836 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.095 -10.157 -3.117 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.230 -10.595 -3.650 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.253 -11.039 -4.899 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -10.346 -10.590 -2.932 1.00 0.00 N ATOM 0 H ARG A 106 -2.349 -8.438 -5.463 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.293 -8.574 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.247 -10.271 -4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.695 -8.918 -3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.683 -9.494 -2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.200 -8.183 -3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.995 -9.802 -4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -6.413 -11.136 -3.886 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.112 -9.823 -2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.397 -11.045 -5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.126 -11.375 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.332 -10.250 -1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.217 -10.926 -3.342 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.643 -6.328 -4.653 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.802 -4.926 -4.286 1.00 0.00 C ATOM 1619 C ASN A 107 -6.506 -4.793 -2.940 1.00 0.00 C ATOM 1620 O ASN A 107 -7.561 -5.386 -2.718 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.594 -4.182 -5.364 1.00 0.00 C ATOM 1622 CG ASN A 107 -5.696 -3.566 -6.419 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -4.985 -4.272 -7.134 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -5.724 -2.242 -6.521 1.00 0.00 N ATOM 0 H ASN A 107 -6.519 -6.821 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.810 -4.483 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.290 -4.872 -5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.191 -3.399 -4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.141 -1.771 -7.213 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.329 -1.696 -5.907 1.00 0.00 H new ATOM 1631 N SER A 108 -5.915 -4.009 -2.044 1.00 0.00 N ATOM 1632 CA SER A 108 -6.483 -3.800 -0.717 1.00 0.00 C ATOM 1633 C SER A 108 -7.511 -2.672 -0.738 1.00 0.00 C ATOM 1634 O SER A 108 -7.610 -1.927 -1.712 1.00 0.00 O ATOM 1635 CB SER A 108 -5.377 -3.479 0.290 1.00 0.00 C ATOM 1636 OG SER A 108 -5.720 -3.935 1.587 1.00 0.00 O ATOM 0 H SER A 108 -5.043 -3.508 -2.213 1.00 0.00 H new ATOM 0 HA SER A 108 -6.984 -4.719 -0.414 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.445 -3.946 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.203 -2.403 0.313 1.00 0.00 H new ATOM 0 HG SER A 108 -5.133 -4.678 1.838 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.273 -2.555 0.345 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.294 -1.519 0.450 1.00 0.00 C ATOM 1644 C GLU A 109 -8.657 -0.135 0.548 1.00 0.00 C ATOM 1645 O GLU A 109 -7.555 0.033 1.069 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.183 -1.771 1.670 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.027 -3.030 1.559 1.00 0.00 C ATOM 1648 CD GLU A 109 -10.195 -4.296 1.622 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -9.096 -4.256 2.214 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -10.645 -5.328 1.081 1.00 0.00 O ATOM 0 H GLU A 109 -8.203 -3.164 1.161 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.906 -1.555 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.555 -1.842 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.841 -0.914 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.762 -3.042 2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.581 -3.010 0.621 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.368 0.880 0.035 1.00 0.00 N ATOM 1658 CA PRO A 110 -8.893 2.267 0.053 1.00 0.00 C ATOM 1659 C PRO A 110 -8.879 2.858 1.458 1.00 0.00 C ATOM 1660 O PRO A 110 -9.889 2.834 2.163 1.00 0.00 O ATOM 1661 CB PRO A 110 -9.908 3.001 -0.826 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.148 2.178 -0.741 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.690 0.753 -0.601 1.00 0.00 C ATOM 0 HA PRO A 110 -7.865 2.350 -0.299 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.081 4.016 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.556 3.082 -1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.758 2.478 0.112 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.762 2.305 -1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.376 0.169 0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.624 0.255 -1.568 1.00 0.00 H new ATOM 1671 N THR A 111 -7.729 3.388 1.862 1.00 0.00 N ATOM 1672 CA THR A 111 -7.584 3.984 3.183 1.00 0.00 C ATOM 1673 C THR A 111 -7.482 5.502 3.094 1.00 0.00 C ATOM 1674 O THR A 111 -6.485 6.040 2.613 1.00 0.00 O ATOM 1675 CB THR A 111 -6.340 3.440 3.912 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.402 2.011 3.986 1.00 0.00 O ATOM 1677 CG2 THR A 111 -6.237 4.022 5.314 1.00 0.00 C ATOM 0 H THR A 111 -6.884 3.416 1.292 1.00 0.00 H new ATOM 0 HA THR A 111 -8.475 3.715 3.750 1.00 0.00 H new ATOM 0 HB THR A 111 -5.456 3.736 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.557 1.738 4.914 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.351 3.624 5.809 1.00 0.00 H new ATOM 0 HG22 THR A 111 -6.161 5.108 5.253 1.00 0.00 H new ATOM 0 HG23 THR A 111 -7.125 3.752 5.886 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.520 6.189 3.560 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.548 7.646 3.531 1.00 0.00 C ATOM 1687 C ARG A 112 -7.629 8.228 4.602 1.00 0.00 C ATOM 1688 O ARG A 112 -7.801 7.966 5.793 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.976 8.155 3.738 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.902 7.861 2.569 1.00 0.00 C ATOM 1691 CD ARG A 112 -11.980 8.925 2.432 1.00 0.00 C ATOM 1692 NE ARG A 112 -12.978 8.834 3.494 1.00 0.00 N ATOM 1693 CZ ARG A 112 -14.012 8.001 3.460 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -14.183 7.192 2.424 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.878 7.975 4.465 1.00 0.00 N ATOM 0 H ARG A 112 -9.353 5.759 3.962 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.192 7.972 2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.387 7.701 4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.948 9.231 3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.322 7.809 1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.368 6.885 2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.519 9.913 2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.470 8.821 1.464 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.876 9.443 4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.519 7.208 1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.978 6.554 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.750 8.595 5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.672 7.335 4.438 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.653 9.019 4.169 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.706 9.638 5.090 1.00 0.00 C ATOM 1711 C LEU A 113 -5.614 11.141 4.847 1.00 0.00 C ATOM 1712 O LEU A 113 -5.997 11.635 3.786 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.324 9.000 4.937 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.206 7.541 5.379 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.807 7.012 5.103 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.549 7.402 6.855 1.00 0.00 C ATOM 0 H LEU A 113 -6.497 9.247 3.187 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.065 9.474 6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.029 9.067 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.608 9.591 5.508 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.917 6.948 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.741 5.972 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.598 7.076 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.078 7.608 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.460 6.357 7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.863 8.008 7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.571 7.742 7.025 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.103 11.865 5.837 1.00 0.00 N ATOM 1729 CA LYS A 114 -4.957 13.312 5.731 1.00 0.00 C ATOM 1730 C LYS A 114 -3.652 13.775 6.371 1.00 0.00 C ATOM 1731 O LYS A 114 -3.172 13.174 7.333 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.142 14.015 6.398 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.324 14.227 5.468 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.192 15.387 5.925 1.00 0.00 C ATOM 1735 CE LYS A 114 -7.718 16.705 5.333 1.00 0.00 C ATOM 1736 NZ LYS A 114 -8.362 17.874 5.994 1.00 0.00 N ATOM 0 H LYS A 114 -4.783 11.473 6.723 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.936 13.574 4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.467 13.427 7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.813 14.981 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.963 14.418 4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.923 13.317 5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.226 15.206 5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.175 15.449 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.635 16.781 5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.939 16.724 4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.013 18.753 5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.393 17.816 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.130 17.871 7.008 1.00 0.00 H new ATOM 1750 N THR A 115 -3.083 14.849 5.833 1.00 0.00 N ATOM 1751 CA THR A 115 -1.834 15.394 6.351 1.00 0.00 C ATOM 1752 C THR A 115 -2.074 16.216 7.612 1.00 0.00 C ATOM 1753 O THR A 115 -3.212 16.385 8.047 1.00 0.00 O ATOM 1754 CB THR A 115 -1.127 16.275 5.304 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.016 17.300 4.846 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.657 15.439 4.123 1.00 0.00 C ATOM 0 H THR A 115 -3.468 15.359 5.038 1.00 0.00 H new ATOM 0 HA THR A 115 -1.194 14.544 6.590 1.00 0.00 H new ATOM 0 HB THR A 115 -0.257 16.733 5.774 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.035 17.303 3.866 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.161 16.082 3.396 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.042 14.678 4.471 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.515 14.957 3.654 1.00 0.00 H new ATOM 1764 N ASN A 116 -0.994 16.727 8.195 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.088 17.532 9.407 1.00 0.00 C ATOM 1766 C ASN A 116 -1.353 18.996 9.067 1.00 0.00 C ATOM 1767 O ASN A 116 -2.459 19.500 9.264 1.00 0.00 O ATOM 1768 CB ASN A 116 0.198 17.412 10.226 1.00 0.00 C ATOM 1769 CG ASN A 116 0.210 16.177 11.106 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -0.740 15.920 11.846 1.00 0.00 O ATOM 1771 ND2 ASN A 116 1.288 15.406 11.030 1.00 0.00 N ATOM 0 H ASN A 116 -0.044 16.598 7.847 1.00 0.00 H new ATOM 0 HA ASN A 116 -1.923 17.157 9.999 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.054 17.382 9.551 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.313 18.299 10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 116 1.352 14.562 11.599 1.00 0.00 H new ATOM 0 HD22 ASN A 116 2.052 15.658 10.403 1.00 0.00 H new