USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 948 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 104 MET CE :methyl -178:sc= -1.5! (180deg=-1.36) USER MOD Set 1.2: A 131 GLN : amide:sc= -0.0866 X(o=-1.6,f=-2.1) USER MOD Set 2.1: A 98 LYS NZ :NH3+ 176:sc= -0.032 (180deg=-0.764) USER MOD Set 2.2: A 100 TYR OH : rot 30:sc= 0.375 USER MOD Set 3.1: A 67 GLN : amide:sc= -0.028 X(o=-0.11,f=-0.17) USER MOD Set 3.2: A 97 MET CE :methyl -143:sc= -0.0847 (180deg=-0.32) USER MOD Set 4.1: A 54 SER OG : rot -141:sc= 1.47 USER MOD Set 4.2: A 76 CYS SG : rot 173:sc= -2.9! USER MOD Set 5.1: A 24 ASN : amide:sc= 0.515 K(o=1.1,f=-0.38) USER MOD Set 5.2: A 39 TYR OH : rot -16:sc= 0.558 USER MOD Set 6.1: A 26 CYS SG : rot 60:sc= 0.654 USER MOD Set 6.2: A 38 HIS : no HE2:sc= 0.02 K(o=0.67,f=-0.98!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0.648 (180deg=0.418) USER MOD Single : A 21 ASN : amide:sc= -1.65! K(o=-1.6!,f=-0.47) USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0.628 (180deg=0.59) USER MOD Single : A 28 GLN : amide:sc= -0.365 X(o=-0.37,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.098) USER MOD Single : A 36 MET CE :methyl -147:sc= -0.872 (180deg=-2.62!) USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0239) USER MOD Single : A 40 THR OG1 : rot 54:sc= 1.19 USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= -0.0175 (180deg=-0.187) USER MOD Single : A 46 ASN : amide:sc= -2.98! C(o=-3!,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -0.222 (180deg=-0.954) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 0.564 (180deg=0.489) USER MOD Single : A 53 TYR OH : rot 18:sc= 0.619 USER MOD Single : A 55 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.41) USER MOD Single : A 59 CYS SG : rot -75:sc= 1.19 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -69:sc= 0.347 USER MOD Single : A 62 LYS NZ :NH3+ 145:sc= -0.919 (180deg=-2.84!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 78 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.01) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0404 USER MOD Single : A 85 LYS NZ :NH3+ -132:sc= 1.83 (180deg=-0.367) USER MOD Single : A 87 TYR OH : rot 62:sc= 0.545 USER MOD Single : A 88 THR OG1 : rot 107:sc= -0.804 USER MOD Single : A 90 LYS NZ :NH3+ 148:sc= 1.19 (180deg=1.01) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -163:sc= 0.425 (180deg=0.277) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.604 K(o=-0.6,f=-0.075) USER MOD Single : A 109 LYS NZ :NH3+ 152:sc= 0.855 (180deg=0.406) USER MOD Single : A 115 SER OG : rot 180:sc= 0.00163 USER MOD Single : A 116 SER OG : rot 82:sc= 0.341 USER MOD Single : A 117 CYS SG : rot -92:sc= -8.9! USER MOD Single : A 118 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0472) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.99) USER MOD Single : A 127 CYS SG : rot 79:sc= 0.731 USER MOD Single : A 128 MET CE :methyl -156:sc= -0.167 (180deg=-0.764) USER MOD Single : A 129 MET CE :methyl -158:sc= -0.258 (180deg=-0.977) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 ASN : amide:sc= 0.194 X(o=0.19,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 221 N LEU A 15 11.223 20.159 -1.074 1.00 60.42 N ATOM 222 CA LEU A 15 9.914 20.824 -1.232 1.00 10.42 C ATOM 223 C LEU A 15 8.823 19.790 -1.579 1.00 65.32 C ATOM 224 O LEU A 15 7.669 19.899 -1.131 1.00 51.13 O ATOM 225 CB LEU A 15 9.991 21.949 -2.308 1.00 21.41 C ATOM 226 CG LEU A 15 10.926 23.168 -1.958 1.00 20.15 C ATOM 227 CD1 LEU A 15 12.418 22.854 -2.160 1.00 50.03 C ATOM 228 CD2 LEU A 15 10.512 24.445 -2.730 1.00 4.02 C ATOM 0 HA LEU A 15 9.646 21.291 -0.285 1.00 10.42 H new ATOM 0 HB2 LEU A 15 10.335 21.508 -3.244 1.00 21.41 H new ATOM 0 HB3 LEU A 15 8.984 22.327 -2.485 1.00 21.41 H new ATOM 0 HG LEU A 15 10.789 23.359 -0.894 1.00 20.15 H new ATOM 0 HD11 LEU A 15 13.012 23.731 -1.903 1.00 50.03 H new ATOM 0 HD12 LEU A 15 12.705 22.021 -1.518 1.00 50.03 H new ATOM 0 HD13 LEU A 15 12.596 22.588 -3.202 1.00 50.03 H new ATOM 0 HD21 LEU A 15 11.180 25.264 -2.463 1.00 4.02 H new ATOM 0 HD22 LEU A 15 10.577 24.259 -3.802 1.00 4.02 H new ATOM 0 HD23 LEU A 15 9.488 24.712 -2.469 1.00 4.02 H new ATOM 240 N ALA A 16 9.241 18.752 -2.321 1.00 21.32 N ATOM 241 CA ALA A 16 8.382 17.624 -2.699 1.00 45.54 C ATOM 242 C ALA A 16 7.880 16.826 -1.478 1.00 14.13 C ATOM 243 O ALA A 16 6.840 16.162 -1.558 1.00 70.15 O ATOM 244 CB ALA A 16 9.132 16.702 -3.669 1.00 40.11 C ATOM 0 H ALA A 16 10.194 18.674 -2.677 1.00 21.32 H new ATOM 0 HA ALA A 16 7.500 18.036 -3.190 1.00 45.54 H new ATOM 0 HB1 ALA A 16 8.490 15.866 -3.946 1.00 40.11 H new ATOM 0 HB2 ALA A 16 9.407 17.261 -4.563 1.00 40.11 H new ATOM 0 HB3 ALA A 16 10.033 16.323 -3.187 1.00 40.11 H new ATOM 250 N LEU A 17 8.604 16.896 -0.340 1.00 21.02 N ATOM 251 CA LEU A 17 8.185 16.191 0.884 1.00 11.25 C ATOM 252 C LEU A 17 7.081 16.988 1.602 1.00 62.35 C ATOM 253 O LEU A 17 6.294 16.413 2.352 1.00 1.44 O ATOM 254 CB LEU A 17 9.420 15.866 1.810 1.00 60.21 C ATOM 255 CG LEU A 17 9.850 16.914 2.923 1.00 13.42 C ATOM 256 CD1 LEU A 17 9.041 16.753 4.236 1.00 75.44 C ATOM 257 CD2 LEU A 17 11.369 16.845 3.211 1.00 74.12 C ATOM 0 H LEU A 17 9.470 17.427 -0.246 1.00 21.02 H new ATOM 0 HA LEU A 17 7.757 15.226 0.612 1.00 11.25 H new ATOM 0 HB2 LEU A 17 9.214 14.920 2.312 1.00 60.21 H new ATOM 0 HB3 LEU A 17 10.282 15.703 1.163 1.00 60.21 H new ATOM 0 HG LEU A 17 9.620 17.899 2.518 1.00 13.42 H new ATOM 0 HD11 LEU A 17 9.375 17.494 4.962 1.00 75.44 H new ATOM 0 HD12 LEU A 17 7.981 16.899 4.030 1.00 75.44 H new ATOM 0 HD13 LEU A 17 9.198 15.753 4.640 1.00 75.44 H new ATOM 0 HD21 LEU A 17 11.628 17.576 3.977 1.00 74.12 H new ATOM 0 HD22 LEU A 17 11.628 15.846 3.560 1.00 74.12 H new ATOM 0 HD23 LEU A 17 11.923 17.065 2.298 1.00 74.12 H new ATOM 269 N MET A 18 7.018 18.309 1.345 1.00 14.44 N ATOM 270 CA MET A 18 6.093 19.217 2.058 1.00 31.12 C ATOM 271 C MET A 18 4.645 19.020 1.569 1.00 21.20 C ATOM 272 O MET A 18 3.682 19.097 2.354 1.00 3.02 O ATOM 273 CB MET A 18 6.549 20.691 1.869 1.00 43.11 C ATOM 274 CG MET A 18 7.977 20.960 2.368 1.00 74.12 C ATOM 275 SD MET A 18 8.161 20.600 4.130 1.00 24.24 S ATOM 276 CE MET A 18 9.924 20.817 4.369 1.00 34.11 C ATOM 0 H MET A 18 7.598 18.774 0.647 1.00 14.44 H new ATOM 0 HA MET A 18 6.117 18.978 3.121 1.00 31.12 H new ATOM 0 HB2 MET A 18 6.487 20.949 0.812 1.00 43.11 H new ATOM 0 HB3 MET A 18 5.858 21.347 2.398 1.00 43.11 H new ATOM 0 HG2 MET A 18 8.680 20.352 1.799 1.00 74.12 H new ATOM 0 HG3 MET A 18 8.235 22.003 2.183 1.00 74.12 H new ATOM 0 HE1 MET A 18 10.176 20.626 5.412 1.00 34.11 H new ATOM 0 HE2 MET A 18 10.466 20.119 3.731 1.00 34.11 H new ATOM 0 HE3 MET A 18 10.203 21.838 4.110 1.00 34.11 H new ATOM 286 N VAL A 19 4.517 18.734 0.266 1.00 13.32 N ATOM 287 CA VAL A 19 3.214 18.579 -0.406 1.00 32.03 C ATOM 288 C VAL A 19 2.553 17.214 -0.084 1.00 71.13 C ATOM 289 O VAL A 19 1.322 17.094 -0.078 1.00 34.25 O ATOM 290 CB VAL A 19 3.366 18.755 -1.957 1.00 24.23 C ATOM 291 CG1 VAL A 19 4.282 17.672 -2.546 1.00 13.35 C ATOM 292 CG2 VAL A 19 1.995 18.791 -2.675 1.00 14.04 C ATOM 0 H VAL A 19 5.315 18.603 -0.356 1.00 13.32 H new ATOM 0 HA VAL A 19 2.560 19.362 -0.022 1.00 32.03 H new ATOM 0 HB VAL A 19 3.837 19.723 -2.130 1.00 24.23 H new ATOM 0 HG11 VAL A 19 4.371 17.817 -3.623 1.00 13.35 H new ATOM 0 HG12 VAL A 19 5.269 17.741 -2.088 1.00 13.35 H new ATOM 0 HG13 VAL A 19 3.858 16.688 -2.346 1.00 13.35 H new ATOM 0 HG21 VAL A 19 2.149 18.914 -3.747 1.00 14.04 H new ATOM 0 HG22 VAL A 19 1.463 17.858 -2.490 1.00 14.04 H new ATOM 0 HG23 VAL A 19 1.407 19.626 -2.295 1.00 14.04 H new ATOM 302 N LYS A 20 3.364 16.175 0.185 1.00 74.52 N ATOM 303 CA LYS A 20 2.820 14.843 0.509 1.00 52.04 C ATOM 304 C LYS A 20 2.229 14.841 1.923 1.00 60.21 C ATOM 305 O LYS A 20 1.252 14.146 2.171 1.00 35.23 O ATOM 306 CB LYS A 20 3.885 13.731 0.344 1.00 42.51 C ATOM 307 CG LYS A 20 4.998 13.702 1.415 1.00 55.24 C ATOM 308 CD LYS A 20 6.067 12.619 1.144 1.00 63.01 C ATOM 309 CE LYS A 20 6.792 12.834 -0.190 1.00 13.21 C ATOM 310 NZ LYS A 20 7.782 11.773 -0.465 1.00 13.24 N ATOM 0 H LYS A 20 4.383 16.229 0.185 1.00 74.52 H new ATOM 0 HA LYS A 20 2.022 14.624 -0.200 1.00 52.04 H new ATOM 0 HB2 LYS A 20 3.379 12.766 0.347 1.00 42.51 H new ATOM 0 HB3 LYS A 20 4.351 13.843 -0.635 1.00 42.51 H new ATOM 0 HG2 LYS A 20 5.480 14.679 1.457 1.00 55.24 H new ATOM 0 HG3 LYS A 20 4.550 13.526 2.393 1.00 55.24 H new ATOM 0 HD2 LYS A 20 6.796 12.621 1.955 1.00 63.01 H new ATOM 0 HD3 LYS A 20 5.594 11.637 1.143 1.00 63.01 H new ATOM 0 HE2 LYS A 20 6.061 12.864 -0.998 1.00 13.21 H new ATOM 0 HE3 LYS A 20 7.293 13.802 -0.177 1.00 13.21 H new ATOM 0 HZ1 LYS A 20 8.363 12.044 -1.284 1.00 13.24 H new ATOM 0 HZ2 LYS A 20 8.393 11.645 0.366 1.00 13.24 H new ATOM 0 HZ3 LYS A 20 7.287 10.882 -0.672 1.00 13.24 H new ATOM 324 N ASN A 21 2.813 15.672 2.819 1.00 3.12 N ATOM 325 CA ASN A 21 2.399 15.793 4.231 1.00 30.31 C ATOM 326 C ASN A 21 0.929 16.228 4.346 1.00 44.12 C ATOM 327 O ASN A 21 0.132 15.584 5.040 1.00 53.51 O ATOM 328 CB ASN A 21 3.310 16.804 4.982 1.00 73.23 C ATOM 329 CG ASN A 21 4.766 16.348 5.096 1.00 44.31 C ATOM 330 OD1 ASN A 21 5.059 15.157 5.190 1.00 12.50 O ATOM 331 ND2 ASN A 21 5.688 17.289 5.075 1.00 61.53 N ATOM 0 H ASN A 21 3.593 16.282 2.576 1.00 3.12 H new ATOM 0 HA ASN A 21 2.503 14.810 4.691 1.00 30.31 H new ATOM 0 HB2 ASN A 21 3.278 17.763 4.465 1.00 73.23 H new ATOM 0 HB3 ASN A 21 2.910 16.968 5.983 1.00 73.23 H new ATOM 0 HD21 ASN A 21 6.675 17.038 5.138 1.00 61.53 H new ATOM 0 HD22 ASN A 21 5.415 18.269 4.996 1.00 61.53 H new ATOM 338 N LYS A 22 0.589 17.315 3.632 1.00 40.14 N ATOM 339 CA LYS A 22 -0.790 17.837 3.569 1.00 50.10 C ATOM 340 C LYS A 22 -1.728 16.848 2.840 1.00 2.42 C ATOM 341 O LYS A 22 -2.925 16.783 3.149 1.00 52.23 O ATOM 342 CB LYS A 22 -0.808 19.274 2.953 1.00 74.14 C ATOM 343 CG LYS A 22 0.048 19.475 1.668 1.00 25.43 C ATOM 344 CD LYS A 22 -0.757 19.389 0.343 1.00 62.53 C ATOM 345 CE LYS A 22 -1.618 20.636 0.087 1.00 71.40 C ATOM 346 NZ LYS A 22 -2.358 20.547 -1.198 1.00 21.44 N ATOM 0 H LYS A 22 1.258 17.856 3.084 1.00 40.14 H new ATOM 0 HA LYS A 22 -1.179 17.929 4.583 1.00 50.10 H new ATOM 0 HB2 LYS A 22 -1.841 19.537 2.723 1.00 74.14 H new ATOM 0 HB3 LYS A 22 -0.462 19.977 3.710 1.00 74.14 H new ATOM 0 HG2 LYS A 22 0.537 20.448 1.720 1.00 25.43 H new ATOM 0 HG3 LYS A 22 0.837 18.723 1.650 1.00 25.43 H new ATOM 0 HD2 LYS A 22 -0.066 19.254 -0.489 1.00 62.53 H new ATOM 0 HD3 LYS A 22 -1.399 18.509 0.370 1.00 62.53 H new ATOM 0 HE2 LYS A 22 -2.327 20.761 0.906 1.00 71.40 H new ATOM 0 HE3 LYS A 22 -0.981 21.521 0.078 1.00 71.40 H new ATOM 0 HZ1 LYS A 22 -2.990 21.367 -1.292 1.00 21.44 H new ATOM 0 HZ2 LYS A 22 -1.682 20.538 -1.988 1.00 21.44 H new ATOM 0 HZ3 LYS A 22 -2.921 19.673 -1.215 1.00 21.44 H new ATOM 360 N GLY A 23 -1.151 16.045 1.918 1.00 33.13 N ATOM 361 CA GLY A 23 -1.877 14.945 1.266 1.00 5.54 C ATOM 362 C GLY A 23 -2.307 13.853 2.251 1.00 64.23 C ATOM 363 O GLY A 23 -3.429 13.338 2.169 1.00 12.54 O ATOM 0 H GLY A 23 -0.183 16.143 1.612 1.00 33.13 H new ATOM 0 HA2 GLY A 23 -2.759 15.344 0.765 1.00 5.54 H new ATOM 0 HA3 GLY A 23 -1.245 14.504 0.495 1.00 5.54 H new ATOM 367 N ASN A 24 -1.396 13.517 3.192 1.00 11.25 N ATOM 368 CA ASN A 24 -1.670 12.567 4.290 1.00 23.31 C ATOM 369 C ASN A 24 -2.716 13.133 5.264 1.00 31.40 C ATOM 370 O ASN A 24 -3.608 12.400 5.723 1.00 1.25 O ATOM 371 CB ASN A 24 -0.380 12.208 5.086 1.00 51.24 C ATOM 372 CG ASN A 24 0.637 11.389 4.278 1.00 63.20 C ATOM 373 OD1 ASN A 24 0.549 10.172 4.202 1.00 43.14 O ATOM 374 ND2 ASN A 24 1.645 12.038 3.728 1.00 74.42 N ATOM 0 H ASN A 24 -0.450 13.898 3.210 1.00 11.25 H new ATOM 0 HA ASN A 24 -2.057 11.661 3.824 1.00 23.31 H new ATOM 0 HB2 ASN A 24 0.095 13.129 5.424 1.00 51.24 H new ATOM 0 HB3 ASN A 24 -0.659 11.647 5.978 1.00 51.24 H new ATOM 0 HD21 ASN A 24 2.370 11.524 3.227 1.00 74.42 H new ATOM 0 HD22 ASN A 24 1.699 13.054 3.803 1.00 74.42 H new ATOM 381 N GLU A 25 -2.604 14.444 5.566 1.00 50.05 N ATOM 382 CA GLU A 25 -3.493 15.106 6.539 1.00 1.24 C ATOM 383 C GLU A 25 -4.926 15.172 5.990 1.00 21.01 C ATOM 384 O GLU A 25 -5.871 15.023 6.755 1.00 22.41 O ATOM 385 CB GLU A 25 -2.937 16.508 6.982 1.00 31.33 C ATOM 386 CG GLU A 25 -3.668 17.760 6.437 1.00 43.22 C ATOM 387 CD GLU A 25 -2.995 19.081 6.861 1.00 32.52 C ATOM 388 OE1 GLU A 25 -3.198 19.518 8.011 1.00 3.33 O ATOM 389 OE2 GLU A 25 -2.264 19.687 6.047 1.00 12.34 O ATOM 0 H GLU A 25 -1.908 15.062 5.150 1.00 50.05 H new ATOM 0 HA GLU A 25 -3.522 14.505 7.448 1.00 1.24 H new ATOM 0 HB2 GLU A 25 -2.957 16.551 8.071 1.00 31.33 H new ATOM 0 HB3 GLU A 25 -1.891 16.568 6.680 1.00 31.33 H new ATOM 0 HG2 GLU A 25 -3.703 17.709 5.349 1.00 43.22 H new ATOM 0 HG3 GLU A 25 -4.699 17.754 6.789 1.00 43.22 H new ATOM 396 N CYS A 26 -5.074 15.330 4.651 1.00 24.21 N ATOM 397 CA CYS A 26 -6.396 15.300 3.986 1.00 51.00 C ATOM 398 C CYS A 26 -7.141 13.974 4.234 1.00 3.32 C ATOM 399 O CYS A 26 -8.327 13.983 4.599 1.00 4.44 O ATOM 400 CB CYS A 26 -6.245 15.540 2.489 1.00 72.51 C ATOM 401 SG CYS A 26 -5.593 17.161 2.104 1.00 33.21 S ATOM 0 H CYS A 26 -4.293 15.479 4.013 1.00 24.21 H new ATOM 0 HA CYS A 26 -6.993 16.101 4.423 1.00 51.00 H new ATOM 0 HB2 CYS A 26 -5.586 14.780 2.069 1.00 72.51 H new ATOM 0 HB3 CYS A 26 -7.216 15.421 2.008 1.00 72.51 H new ATOM 0 HG CYS A 26 -4.418 17.296 2.645 1.00 33.21 H new ATOM 407 N PHE A 27 -6.412 12.851 4.081 1.00 72.41 N ATOM 408 CA PHE A 27 -6.939 11.498 4.355 1.00 73.14 C ATOM 409 C PHE A 27 -7.478 11.410 5.800 1.00 54.13 C ATOM 410 O PHE A 27 -8.592 10.919 6.049 1.00 32.33 O ATOM 411 CB PHE A 27 -5.810 10.459 4.113 1.00 5.02 C ATOM 412 CG PHE A 27 -6.231 8.996 4.226 1.00 64.40 C ATOM 413 CD1 PHE A 27 -6.954 8.379 3.209 1.00 75.52 C ATOM 414 CD2 PHE A 27 -5.893 8.241 5.349 1.00 63.52 C ATOM 415 CE1 PHE A 27 -7.326 7.052 3.311 1.00 54.42 C ATOM 416 CE2 PHE A 27 -6.264 6.914 5.452 1.00 2.40 C ATOM 417 CZ PHE A 27 -6.980 6.320 4.433 1.00 2.40 C ATOM 0 H PHE A 27 -5.442 12.855 3.764 1.00 72.41 H new ATOM 0 HA PHE A 27 -7.770 11.283 3.683 1.00 73.14 H new ATOM 0 HB2 PHE A 27 -5.395 10.624 3.119 1.00 5.02 H new ATOM 0 HB3 PHE A 27 -5.009 10.645 4.828 1.00 5.02 H new ATOM 0 HD1 PHE A 27 -7.227 8.944 2.330 1.00 75.52 H new ATOM 0 HD2 PHE A 27 -5.333 8.700 6.150 1.00 63.52 H new ATOM 0 HE1 PHE A 27 -7.887 6.586 2.514 1.00 54.42 H new ATOM 0 HE2 PHE A 27 -5.994 6.343 6.328 1.00 2.40 H new ATOM 0 HZ PHE A 27 -7.271 5.283 4.511 1.00 2.40 H new ATOM 427 N GLN A 28 -6.684 11.987 6.724 1.00 72.12 N ATOM 428 CA GLN A 28 -6.996 12.075 8.157 1.00 63.51 C ATOM 429 C GLN A 28 -8.260 12.940 8.422 1.00 74.23 C ATOM 430 O GLN A 28 -8.946 12.739 9.429 1.00 41.20 O ATOM 431 CB GLN A 28 -5.759 12.658 8.905 1.00 70.21 C ATOM 432 CG GLN A 28 -5.919 12.830 10.433 1.00 4.52 C ATOM 433 CD GLN A 28 -6.165 11.515 11.198 1.00 72.42 C ATOM 434 OE1 GLN A 28 -6.858 11.497 12.211 1.00 64.42 O ATOM 435 NE2 GLN A 28 -5.570 10.413 10.744 1.00 32.04 N ATOM 0 H GLN A 28 -5.789 12.413 6.485 1.00 72.12 H new ATOM 0 HA GLN A 28 -7.217 11.075 8.530 1.00 63.51 H new ATOM 0 HB2 GLN A 28 -4.905 12.007 8.719 1.00 70.21 H new ATOM 0 HB3 GLN A 28 -5.520 13.629 8.472 1.00 70.21 H new ATOM 0 HG2 GLN A 28 -5.021 13.304 10.829 1.00 4.52 H new ATOM 0 HG3 GLN A 28 -6.750 13.509 10.625 1.00 4.52 H new ATOM 0 HE21 GLN A 28 -4.999 10.453 9.900 1.00 32.04 H new ATOM 0 HE22 GLN A 28 -5.686 9.530 11.241 1.00 32.04 H new ATOM 444 N LYS A 29 -8.582 13.887 7.504 1.00 4.50 N ATOM 445 CA LYS A 29 -9.789 14.738 7.648 1.00 12.44 C ATOM 446 C LYS A 29 -11.058 13.932 7.298 1.00 0.20 C ATOM 447 O LYS A 29 -12.167 14.314 7.681 1.00 44.42 O ATOM 448 CB LYS A 29 -9.715 16.020 6.752 1.00 44.53 C ATOM 449 CG LYS A 29 -8.371 16.785 6.790 1.00 62.00 C ATOM 450 CD LYS A 29 -7.895 17.174 8.209 1.00 73.23 C ATOM 451 CE LYS A 29 -8.748 18.277 8.840 1.00 51.04 C ATOM 452 NZ LYS A 29 -8.329 18.585 10.233 1.00 70.14 N ATOM 0 H LYS A 29 -8.030 14.078 6.668 1.00 4.50 H new ATOM 0 HA LYS A 29 -9.834 15.060 8.689 1.00 12.44 H new ATOM 0 HB2 LYS A 29 -9.920 15.733 5.721 1.00 44.53 H new ATOM 0 HB3 LYS A 29 -10.509 16.701 7.057 1.00 44.53 H new ATOM 0 HG2 LYS A 29 -7.604 16.170 6.319 1.00 62.00 H new ATOM 0 HG3 LYS A 29 -8.466 17.691 6.191 1.00 62.00 H new ATOM 0 HD2 LYS A 29 -7.918 16.292 8.849 1.00 73.23 H new ATOM 0 HD3 LYS A 29 -6.858 17.506 8.161 1.00 73.23 H new ATOM 0 HE2 LYS A 29 -8.678 19.180 8.233 1.00 51.04 H new ATOM 0 HE3 LYS A 29 -9.794 17.971 8.836 1.00 51.04 H new ATOM 0 HZ1 LYS A 29 -8.934 19.337 10.619 1.00 70.14 H new ATOM 0 HZ2 LYS A 29 -8.420 17.731 10.820 1.00 70.14 H new ATOM 0 HZ3 LYS A 29 -7.339 18.902 10.235 1.00 70.14 H new ATOM 466 N GLY A 30 -10.865 12.804 6.580 1.00 63.31 N ATOM 467 CA GLY A 30 -11.969 11.971 6.100 1.00 21.22 C ATOM 468 C GLY A 30 -12.075 11.980 4.591 1.00 54.20 C ATOM 469 O GLY A 30 -12.986 11.362 4.031 1.00 32.24 O ATOM 0 H GLY A 30 -9.942 12.454 6.323 1.00 63.31 H new ATOM 0 HA2 GLY A 30 -11.827 10.947 6.447 1.00 21.22 H new ATOM 0 HA3 GLY A 30 -12.905 12.327 6.531 1.00 21.22 H new ATOM 473 N ASP A 31 -11.148 12.690 3.926 1.00 50.44 N ATOM 474 CA ASP A 31 -11.098 12.765 2.461 1.00 3.21 C ATOM 475 C ASP A 31 -10.345 11.541 1.915 1.00 63.05 C ATOM 476 O ASP A 31 -9.157 11.623 1.665 1.00 52.22 O ATOM 477 CB ASP A 31 -10.396 14.075 2.010 1.00 42.54 C ATOM 478 CG ASP A 31 -11.144 15.339 2.427 1.00 10.40 C ATOM 479 OD1 ASP A 31 -12.057 15.775 1.691 1.00 71.31 O ATOM 480 OD2 ASP A 31 -10.821 15.914 3.486 1.00 12.43 O ATOM 0 H ASP A 31 -10.415 13.226 4.390 1.00 50.44 H new ATOM 0 HA ASP A 31 -12.114 12.769 2.066 1.00 3.21 H new ATOM 0 HB2 ASP A 31 -9.390 14.102 2.429 1.00 42.54 H new ATOM 0 HB3 ASP A 31 -10.289 14.066 0.925 1.00 42.54 H new ATOM 485 N TYR A 32 -11.036 10.400 1.782 1.00 2.41 N ATOM 486 CA TYR A 32 -10.454 9.157 1.224 1.00 45.34 C ATOM 487 C TYR A 32 -10.183 9.266 -0.306 1.00 13.04 C ATOM 488 O TYR A 32 -9.073 8.932 -0.743 1.00 74.01 O ATOM 489 CB TYR A 32 -11.344 7.922 1.578 1.00 24.43 C ATOM 490 CG TYR A 32 -11.257 7.498 3.054 1.00 42.25 C ATOM 491 CD1 TYR A 32 -11.653 8.362 4.076 1.00 4.55 C ATOM 492 CD2 TYR A 32 -10.768 6.243 3.425 1.00 55.32 C ATOM 493 CE1 TYR A 32 -11.563 7.997 5.406 1.00 31.14 C ATOM 494 CE2 TYR A 32 -10.679 5.872 4.752 1.00 61.41 C ATOM 495 CZ TYR A 32 -11.076 6.755 5.737 1.00 63.21 C ATOM 496 OH TYR A 32 -10.992 6.384 7.061 1.00 23.23 O ATOM 0 H TYR A 32 -12.014 10.306 2.056 1.00 2.41 H new ATOM 0 HA TYR A 32 -9.481 9.010 1.692 1.00 45.34 H new ATOM 0 HB2 TYR A 32 -12.382 8.152 1.336 1.00 24.43 H new ATOM 0 HB3 TYR A 32 -11.049 7.081 0.950 1.00 24.43 H new ATOM 0 HD1 TYR A 32 -12.039 9.338 3.822 1.00 4.55 H new ATOM 0 HD2 TYR A 32 -10.454 5.550 2.659 1.00 55.32 H new ATOM 0 HE1 TYR A 32 -11.873 8.683 6.180 1.00 31.14 H new ATOM 0 HE2 TYR A 32 -10.301 4.896 5.018 1.00 61.41 H new ATOM 0 HH TYR A 32 -10.628 5.476 7.124 1.00 23.23 H new ATOM 506 N PRO A 33 -11.165 9.747 -1.162 1.00 61.34 N ATOM 507 CA PRO A 33 -10.900 9.932 -2.614 1.00 61.14 C ATOM 508 C PRO A 33 -9.896 11.080 -2.874 1.00 73.32 C ATOM 509 O PRO A 33 -8.860 10.885 -3.538 1.00 11.11 O ATOM 510 CB PRO A 33 -12.297 10.244 -3.207 1.00 1.42 C ATOM 511 CG PRO A 33 -13.088 10.812 -2.063 1.00 62.02 C ATOM 512 CD PRO A 33 -12.585 10.099 -0.829 1.00 35.44 C ATOM 0 HA PRO A 33 -10.439 9.055 -3.069 1.00 61.14 H new ATOM 0 HB2 PRO A 33 -12.226 10.956 -4.030 1.00 1.42 H new ATOM 0 HB3 PRO A 33 -12.767 9.344 -3.603 1.00 1.42 H new ATOM 0 HG2 PRO A 33 -12.941 11.889 -1.981 1.00 62.02 H new ATOM 0 HG3 PRO A 33 -14.156 10.646 -2.204 1.00 62.02 H new ATOM 0 HD2 PRO A 33 -12.641 10.739 0.052 1.00 35.44 H new ATOM 0 HD3 PRO A 33 -13.176 9.209 -0.614 1.00 35.44 H new ATOM 520 N GLN A 34 -10.199 12.255 -2.280 1.00 72.33 N ATOM 521 CA GLN A 34 -9.428 13.487 -2.471 1.00 63.34 C ATOM 522 C GLN A 34 -7.968 13.311 -2.016 1.00 30.31 C ATOM 523 O GLN A 34 -7.082 13.933 -2.593 1.00 34.00 O ATOM 524 CB GLN A 34 -10.081 14.665 -1.704 1.00 70.41 C ATOM 525 CG GLN A 34 -11.537 14.986 -2.102 1.00 13.44 C ATOM 526 CD GLN A 34 -11.660 15.639 -3.481 1.00 40.33 C ATOM 527 OE1 GLN A 34 -11.623 16.862 -3.606 1.00 73.55 O ATOM 528 NE2 GLN A 34 -11.805 14.838 -4.514 1.00 13.33 N ATOM 0 H GLN A 34 -10.994 12.368 -1.651 1.00 72.33 H new ATOM 0 HA GLN A 34 -9.429 13.713 -3.537 1.00 63.34 H new ATOM 0 HB2 GLN A 34 -10.054 14.442 -0.637 1.00 70.41 H new ATOM 0 HB3 GLN A 34 -9.475 15.558 -1.858 1.00 70.41 H new ATOM 0 HG2 GLN A 34 -12.120 14.065 -2.091 1.00 13.44 H new ATOM 0 HG3 GLN A 34 -11.973 15.649 -1.354 1.00 13.44 H new ATOM 0 HE21 GLN A 34 -11.832 13.828 -4.376 1.00 13.33 H new ATOM 0 HE22 GLN A 34 -11.891 15.227 -5.453 1.00 13.33 H new ATOM 537 N ALA A 35 -7.739 12.441 -0.996 1.00 31.13 N ATOM 538 CA ALA A 35 -6.384 12.112 -0.505 1.00 62.24 C ATOM 539 C ALA A 35 -5.485 11.636 -1.643 1.00 53.13 C ATOM 540 O ALA A 35 -4.343 12.063 -1.731 1.00 4.50 O ATOM 541 CB ALA A 35 -6.420 11.034 0.584 1.00 12.12 C ATOM 0 H ALA A 35 -8.485 11.955 -0.498 1.00 31.13 H new ATOM 0 HA ALA A 35 -5.977 13.030 -0.080 1.00 62.24 H new ATOM 0 HB1 ALA A 35 -5.405 10.821 0.918 1.00 12.12 H new ATOM 0 HB2 ALA A 35 -7.013 11.388 1.427 1.00 12.12 H new ATOM 0 HB3 ALA A 35 -6.868 10.125 0.182 1.00 12.12 H new ATOM 547 N MET A 36 -6.050 10.800 -2.546 1.00 34.00 N ATOM 548 CA MET A 36 -5.285 10.206 -3.663 1.00 43.03 C ATOM 549 C MET A 36 -4.889 11.303 -4.657 1.00 21.34 C ATOM 550 O MET A 36 -3.791 11.293 -5.203 1.00 33.01 O ATOM 551 CB MET A 36 -6.112 9.116 -4.378 1.00 25.03 C ATOM 552 CG MET A 36 -6.656 8.022 -3.460 1.00 15.11 C ATOM 553 SD MET A 36 -7.608 6.783 -4.360 1.00 72.02 S ATOM 554 CE MET A 36 -8.832 7.794 -5.206 1.00 31.51 C ATOM 0 H MET A 36 -7.031 10.523 -2.521 1.00 34.00 H new ATOM 0 HA MET A 36 -4.386 9.740 -3.260 1.00 43.03 H new ATOM 0 HB2 MET A 36 -6.949 9.591 -4.890 1.00 25.03 H new ATOM 0 HB3 MET A 36 -5.491 8.653 -5.145 1.00 25.03 H new ATOM 0 HG2 MET A 36 -5.826 7.537 -2.946 1.00 15.11 H new ATOM 0 HG3 MET A 36 -7.285 8.474 -2.693 1.00 15.11 H new ATOM 0 HE1 MET A 36 -9.765 7.238 -5.293 1.00 31.51 H new ATOM 0 HE2 MET A 36 -9.006 8.707 -4.637 1.00 31.51 H new ATOM 0 HE3 MET A 36 -8.468 8.050 -6.201 1.00 31.51 H new ATOM 564 N LYS A 37 -5.799 12.267 -4.838 1.00 53.14 N ATOM 565 CA LYS A 37 -5.594 13.425 -5.728 1.00 21.41 C ATOM 566 C LYS A 37 -4.557 14.390 -5.123 1.00 65.30 C ATOM 567 O LYS A 37 -3.807 15.058 -5.840 1.00 4.34 O ATOM 568 CB LYS A 37 -6.943 14.143 -5.957 1.00 32.41 C ATOM 569 CG LYS A 37 -8.075 13.195 -6.407 1.00 3.12 C ATOM 570 CD LYS A 37 -9.411 13.931 -6.630 1.00 73.20 C ATOM 571 CE LYS A 37 -10.553 12.983 -7.024 1.00 14.32 C ATOM 572 NZ LYS A 37 -10.294 12.275 -8.304 1.00 24.44 N ATOM 0 H LYS A 37 -6.705 12.269 -4.370 1.00 53.14 H new ATOM 0 HA LYS A 37 -5.211 13.079 -6.688 1.00 21.41 H new ATOM 0 HB2 LYS A 37 -7.242 14.641 -5.035 1.00 32.41 H new ATOM 0 HB3 LYS A 37 -6.809 14.920 -6.710 1.00 32.41 H new ATOM 0 HG2 LYS A 37 -7.781 12.696 -7.330 1.00 3.12 H new ATOM 0 HG3 LYS A 37 -8.214 12.418 -5.655 1.00 3.12 H new ATOM 0 HD2 LYS A 37 -9.684 14.463 -5.719 1.00 73.20 H new ATOM 0 HD3 LYS A 37 -9.282 14.681 -7.410 1.00 73.20 H new ATOM 0 HE2 LYS A 37 -10.701 12.250 -6.231 1.00 14.32 H new ATOM 0 HE3 LYS A 37 -11.479 13.552 -7.109 1.00 14.32 H new ATOM 0 HZ1 LYS A 37 -11.123 11.701 -8.557 1.00 24.44 H new ATOM 0 HZ2 LYS A 37 -10.112 12.971 -9.055 1.00 24.44 H new ATOM 0 HZ3 LYS A 37 -9.465 11.657 -8.197 1.00 24.44 H new ATOM 586 N HIS A 38 -4.523 14.435 -3.780 1.00 14.15 N ATOM 587 CA HIS A 38 -3.535 15.217 -3.010 1.00 71.54 C ATOM 588 C HIS A 38 -2.184 14.474 -2.950 1.00 31.01 C ATOM 589 O HIS A 38 -1.144 15.074 -2.667 1.00 12.23 O ATOM 590 CB HIS A 38 -4.081 15.545 -1.597 1.00 53.43 C ATOM 591 CG HIS A 38 -5.280 16.469 -1.614 1.00 34.52 C ATOM 592 ND1 HIS A 38 -5.324 17.626 -2.359 1.00 14.11 N ATOM 593 CD2 HIS A 38 -6.479 16.403 -0.988 1.00 12.53 C ATOM 594 CE1 HIS A 38 -6.480 18.219 -2.193 1.00 54.41 C ATOM 595 NE2 HIS A 38 -7.202 17.499 -1.368 1.00 65.05 N ATOM 0 H HIS A 38 -5.184 13.927 -3.192 1.00 14.15 H new ATOM 0 HA HIS A 38 -3.362 16.165 -3.519 1.00 71.54 H new ATOM 0 HB2 HIS A 38 -4.355 14.616 -1.097 1.00 53.43 H new ATOM 0 HB3 HIS A 38 -3.287 16.003 -1.006 1.00 53.43 H new ATOM 0 HD1 HIS A 38 -4.569 17.970 -2.952 1.00 14.11 H new ATOM 0 HD2 HIS A 38 -6.805 15.626 -0.312 1.00 12.53 H new ATOM 0 HE1 HIS A 38 -6.787 19.145 -2.657 1.00 54.41 H new ATOM 604 N TYR A 39 -2.221 13.154 -3.193 1.00 20.44 N ATOM 605 CA TYR A 39 -1.011 12.355 -3.441 1.00 61.22 C ATOM 606 C TYR A 39 -0.542 12.519 -4.900 1.00 53.15 C ATOM 607 O TYR A 39 0.619 12.301 -5.188 1.00 31.53 O ATOM 608 CB TYR A 39 -1.248 10.853 -3.112 1.00 11.21 C ATOM 609 CG TYR A 39 -1.371 10.535 -1.608 1.00 14.23 C ATOM 610 CD1 TYR A 39 -0.423 11.007 -0.687 1.00 22.14 C ATOM 611 CD2 TYR A 39 -2.422 9.761 -1.109 1.00 12.35 C ATOM 612 CE1 TYR A 39 -0.530 10.717 0.660 1.00 44.03 C ATOM 613 CE2 TYR A 39 -2.527 9.472 0.236 1.00 44.45 C ATOM 614 CZ TYR A 39 -1.581 9.949 1.111 1.00 70.00 C ATOM 615 OH TYR A 39 -1.693 9.647 2.444 1.00 43.54 O ATOM 0 H TYR A 39 -3.085 12.613 -3.223 1.00 20.44 H new ATOM 0 HA TYR A 39 -0.228 12.724 -2.779 1.00 61.22 H new ATOM 0 HB2 TYR A 39 -2.157 10.524 -3.615 1.00 11.21 H new ATOM 0 HB3 TYR A 39 -0.426 10.270 -3.527 1.00 11.21 H new ATOM 0 HD1 TYR A 39 0.404 11.607 -1.037 1.00 22.14 H new ATOM 0 HD2 TYR A 39 -3.168 9.381 -1.791 1.00 12.35 H new ATOM 0 HE1 TYR A 39 0.207 11.091 1.356 1.00 44.03 H new ATOM 0 HE2 TYR A 39 -3.349 8.873 0.600 1.00 44.45 H new ATOM 0 HH TYR A 39 -0.838 9.819 2.891 1.00 43.54 H new ATOM 625 N THR A 40 -1.461 12.894 -5.816 1.00 2.30 N ATOM 626 CA THR A 40 -1.137 13.103 -7.242 1.00 70.42 C ATOM 627 C THR A 40 -0.261 14.346 -7.421 1.00 14.24 C ATOM 628 O THR A 40 0.758 14.289 -8.114 1.00 74.13 O ATOM 629 CB THR A 40 -2.427 13.231 -8.114 1.00 73.23 C ATOM 630 OG1 THR A 40 -3.289 12.120 -7.840 1.00 71.34 O ATOM 631 CG2 THR A 40 -2.108 13.279 -9.624 1.00 11.40 C ATOM 0 H THR A 40 -2.442 13.059 -5.589 1.00 2.30 H new ATOM 0 HA THR A 40 -0.586 12.226 -7.580 1.00 70.42 H new ATOM 0 HB THR A 40 -2.916 14.170 -7.854 1.00 73.23 H new ATOM 0 HG1 THR A 40 -3.458 12.067 -6.876 1.00 71.34 H new ATOM 0 HG21 THR A 40 -3.036 13.368 -10.189 1.00 11.40 H new ATOM 0 HG22 THR A 40 -1.471 14.138 -9.834 1.00 11.40 H new ATOM 0 HG23 THR A 40 -1.592 12.365 -9.916 1.00 11.40 H new ATOM 639 N GLU A 41 -0.666 15.458 -6.770 1.00 22.20 N ATOM 640 CA GLU A 41 0.109 16.717 -6.776 1.00 62.44 C ATOM 641 C GLU A 41 1.492 16.508 -6.114 1.00 14.35 C ATOM 642 O GLU A 41 2.453 17.204 -6.449 1.00 52.34 O ATOM 643 CB GLU A 41 -0.674 17.864 -6.078 1.00 42.14 C ATOM 644 CG GLU A 41 -1.012 17.616 -4.597 1.00 52.13 C ATOM 645 CD GLU A 41 -1.680 18.818 -3.910 1.00 4.24 C ATOM 646 OE1 GLU A 41 -0.993 19.834 -3.678 1.00 0.22 O ATOM 647 OE2 GLU A 41 -2.889 18.770 -3.601 1.00 42.15 O ATOM 0 H GLU A 41 -1.530 15.508 -6.231 1.00 22.20 H new ATOM 0 HA GLU A 41 0.267 17.010 -7.814 1.00 62.44 H new ATOM 0 HB2 GLU A 41 -0.089 18.780 -6.153 1.00 42.14 H new ATOM 0 HB3 GLU A 41 -1.603 18.033 -6.623 1.00 42.14 H new ATOM 0 HG2 GLU A 41 -1.673 16.752 -4.523 1.00 52.13 H new ATOM 0 HG3 GLU A 41 -0.097 17.364 -4.061 1.00 52.13 H new ATOM 654 N ALA A 42 1.559 15.520 -5.191 1.00 62.43 N ATOM 655 CA ALA A 42 2.806 15.095 -4.543 1.00 23.10 C ATOM 656 C ALA A 42 3.696 14.293 -5.510 1.00 4.13 C ATOM 657 O ALA A 42 4.894 14.511 -5.559 1.00 25.44 O ATOM 658 CB ALA A 42 2.497 14.286 -3.275 1.00 51.23 C ATOM 0 H ALA A 42 0.741 14.997 -4.879 1.00 62.43 H new ATOM 0 HA ALA A 42 3.362 15.988 -4.256 1.00 23.10 H new ATOM 0 HB1 ALA A 42 3.430 13.977 -2.804 1.00 51.23 H new ATOM 0 HB2 ALA A 42 1.927 14.902 -2.580 1.00 51.23 H new ATOM 0 HB3 ALA A 42 1.914 13.404 -3.539 1.00 51.23 H new ATOM 664 N ILE A 43 3.079 13.381 -6.288 1.00 62.24 N ATOM 665 CA ILE A 43 3.773 12.537 -7.293 1.00 10.14 C ATOM 666 C ILE A 43 4.378 13.400 -8.424 1.00 21.25 C ATOM 667 O ILE A 43 5.435 13.063 -8.977 1.00 43.54 O ATOM 668 CB ILE A 43 2.783 11.445 -7.874 1.00 55.24 C ATOM 669 CG1 ILE A 43 2.500 10.351 -6.794 1.00 50.44 C ATOM 670 CG2 ILE A 43 3.296 10.809 -9.188 1.00 13.53 C ATOM 671 CD1 ILE A 43 1.454 9.332 -7.191 1.00 22.40 C ATOM 0 H ILE A 43 2.076 13.205 -6.239 1.00 62.24 H new ATOM 0 HA ILE A 43 4.597 12.023 -6.798 1.00 10.14 H new ATOM 0 HB ILE A 43 1.851 11.952 -8.125 1.00 55.24 H new ATOM 0 HG12 ILE A 43 3.431 9.829 -6.571 1.00 50.44 H new ATOM 0 HG13 ILE A 43 2.181 10.841 -5.874 1.00 50.44 H new ATOM 0 HG21 ILE A 43 2.577 10.069 -9.539 1.00 13.53 H new ATOM 0 HG22 ILE A 43 3.417 11.584 -9.944 1.00 13.53 H new ATOM 0 HG23 ILE A 43 4.256 10.325 -9.008 1.00 13.53 H new ATOM 0 HD11 ILE A 43 1.322 8.612 -6.383 1.00 22.40 H new ATOM 0 HD12 ILE A 43 0.508 9.838 -7.384 1.00 22.40 H new ATOM 0 HD13 ILE A 43 1.777 8.811 -8.092 1.00 22.40 H new ATOM 683 N LYS A 44 3.712 14.531 -8.735 1.00 2.40 N ATOM 684 CA LYS A 44 4.224 15.521 -9.718 1.00 12.20 C ATOM 685 C LYS A 44 5.602 16.058 -9.296 1.00 33.23 C ATOM 686 O LYS A 44 6.427 16.420 -10.137 1.00 20.31 O ATOM 687 CB LYS A 44 3.240 16.713 -9.884 1.00 3.32 C ATOM 688 CG LYS A 44 1.814 16.324 -10.315 1.00 52.01 C ATOM 689 CD LYS A 44 1.772 15.482 -11.613 1.00 43.34 C ATOM 690 CE LYS A 44 0.334 15.127 -12.030 1.00 41.14 C ATOM 691 NZ LYS A 44 -0.484 16.343 -12.283 1.00 51.40 N ATOM 0 H LYS A 44 2.816 14.786 -8.321 1.00 2.40 H new ATOM 0 HA LYS A 44 4.318 15.003 -10.673 1.00 12.20 H new ATOM 0 HB2 LYS A 44 3.183 17.252 -8.938 1.00 3.32 H new ATOM 0 HB3 LYS A 44 3.650 17.404 -10.621 1.00 3.32 H new ATOM 0 HG2 LYS A 44 1.340 15.762 -9.511 1.00 52.01 H new ATOM 0 HG3 LYS A 44 1.226 17.230 -10.460 1.00 52.01 H new ATOM 0 HD2 LYS A 44 2.256 16.035 -12.418 1.00 43.34 H new ATOM 0 HD3 LYS A 44 2.343 14.565 -11.468 1.00 43.34 H new ATOM 0 HE2 LYS A 44 0.358 14.511 -12.929 1.00 41.14 H new ATOM 0 HE3 LYS A 44 -0.134 14.530 -11.247 1.00 41.14 H new ATOM 0 HZ1 LYS A 44 -1.379 16.071 -12.737 1.00 51.40 H new ATOM 0 HZ2 LYS A 44 -0.684 16.821 -11.381 1.00 51.40 H new ATOM 0 HZ3 LYS A 44 0.039 16.989 -12.908 1.00 51.40 H new ATOM 705 N ARG A 45 5.822 16.095 -7.975 1.00 22.23 N ATOM 706 CA ARG A 45 7.061 16.587 -7.370 1.00 34.42 C ATOM 707 C ARG A 45 8.073 15.431 -7.235 1.00 21.41 C ATOM 708 O ARG A 45 9.246 15.565 -7.595 1.00 44.42 O ATOM 709 CB ARG A 45 6.767 17.187 -5.975 1.00 33.05 C ATOM 710 CG ARG A 45 5.531 18.078 -5.875 1.00 4.40 C ATOM 711 CD ARG A 45 5.570 19.309 -6.775 1.00 51.40 C ATOM 712 NE ARG A 45 4.249 19.955 -6.818 1.00 22.35 N ATOM 713 CZ ARG A 45 3.608 20.332 -7.924 1.00 13.25 C ATOM 714 NH1 ARG A 45 4.143 20.144 -9.130 1.00 14.14 N ATOM 715 NH2 ARG A 45 2.411 20.891 -7.804 1.00 14.41 N ATOM 0 H ARG A 45 5.135 15.780 -7.291 1.00 22.23 H new ATOM 0 HA ARG A 45 7.483 17.362 -8.010 1.00 34.42 H new ATOM 0 HB2 ARG A 45 6.658 16.367 -5.265 1.00 33.05 H new ATOM 0 HB3 ARG A 45 7.635 17.767 -5.661 1.00 33.05 H new ATOM 0 HG2 ARG A 45 4.650 17.487 -6.126 1.00 4.40 H new ATOM 0 HG3 ARG A 45 5.414 18.402 -4.841 1.00 4.40 H new ATOM 0 HD2 ARG A 45 6.315 20.014 -6.406 1.00 51.40 H new ATOM 0 HD3 ARG A 45 5.874 19.022 -7.781 1.00 51.40 H new ATOM 0 HE ARG A 45 3.785 20.129 -5.927 1.00 22.35 H new ATOM 0 HH11 ARG A 45 5.059 19.704 -9.219 1.00 14.14 H new ATOM 0 HH12 ARG A 45 3.636 20.440 -9.964 1.00 14.14 H new ATOM 0 HH21 ARG A 45 2.001 21.024 -6.880 1.00 14.41 H new ATOM 0 HH22 ARG A 45 1.901 21.188 -8.636 1.00 14.41 H new ATOM 729 N ASN A 46 7.575 14.292 -6.708 1.00 23.13 N ATOM 730 CA ASN A 46 8.380 13.090 -6.410 1.00 1.33 C ATOM 731 C ASN A 46 7.791 11.841 -7.122 1.00 73.53 C ATOM 732 O ASN A 46 7.028 11.073 -6.526 1.00 41.22 O ATOM 733 CB ASN A 46 8.521 12.874 -4.862 1.00 44.15 C ATOM 734 CG ASN A 46 7.217 13.076 -4.061 1.00 33.31 C ATOM 735 OD1 ASN A 46 6.967 14.148 -3.531 1.00 62.33 O ATOM 736 ND2 ASN A 46 6.368 12.064 -3.994 1.00 65.05 N ATOM 0 H ASN A 46 6.588 14.181 -6.475 1.00 23.13 H new ATOM 0 HA ASN A 46 9.385 13.244 -6.803 1.00 1.33 H new ATOM 0 HB2 ASN A 46 8.889 11.864 -4.682 1.00 44.15 H new ATOM 0 HB3 ASN A 46 9.276 13.561 -4.480 1.00 44.15 H new ATOM 0 HD21 ASN A 46 5.486 12.171 -3.493 1.00 65.05 H new ATOM 0 HD22 ASN A 46 6.595 11.177 -4.443 1.00 65.05 H new ATOM 743 N PRO A 47 8.120 11.626 -8.443 1.00 62.30 N ATOM 744 CA PRO A 47 7.638 10.444 -9.210 1.00 74.42 C ATOM 745 C PRO A 47 8.467 9.166 -8.922 1.00 21.32 C ATOM 746 O PRO A 47 8.081 8.059 -9.311 1.00 44.22 O ATOM 747 CB PRO A 47 7.795 10.916 -10.672 1.00 14.34 C ATOM 748 CG PRO A 47 8.986 11.826 -10.648 1.00 73.35 C ATOM 749 CD PRO A 47 8.950 12.528 -9.300 1.00 54.13 C ATOM 0 HA PRO A 47 6.621 10.153 -8.949 1.00 74.42 H new ATOM 0 HB2 PRO A 47 7.953 10.074 -11.346 1.00 14.34 H new ATOM 0 HB3 PRO A 47 6.903 11.439 -11.018 1.00 14.34 H new ATOM 0 HG2 PRO A 47 9.911 11.262 -10.769 1.00 73.35 H new ATOM 0 HG3 PRO A 47 8.943 12.547 -11.465 1.00 73.35 H new ATOM 0 HD2 PRO A 47 9.952 12.657 -8.890 1.00 54.13 H new ATOM 0 HD3 PRO A 47 8.508 13.521 -9.379 1.00 54.13 H new ATOM 757 N LYS A 48 9.618 9.349 -8.253 1.00 14.23 N ATOM 758 CA LYS A 48 10.502 8.248 -7.824 1.00 64.34 C ATOM 759 C LYS A 48 10.061 7.650 -6.482 1.00 3.24 C ATOM 760 O LYS A 48 10.561 6.595 -6.065 1.00 70.44 O ATOM 761 CB LYS A 48 11.957 8.786 -7.712 1.00 55.11 C ATOM 762 CG LYS A 48 12.575 9.232 -9.055 1.00 25.41 C ATOM 763 CD LYS A 48 12.629 8.074 -10.069 1.00 63.44 C ATOM 764 CE LYS A 48 13.411 6.855 -9.541 1.00 32.11 C ATOM 765 NZ LYS A 48 13.378 5.722 -10.500 1.00 65.35 N ATOM 0 H LYS A 48 9.965 10.272 -7.992 1.00 14.23 H new ATOM 0 HA LYS A 48 10.447 7.453 -8.567 1.00 64.34 H new ATOM 0 HB2 LYS A 48 11.968 9.630 -7.022 1.00 55.11 H new ATOM 0 HB3 LYS A 48 12.586 8.010 -7.276 1.00 55.11 H new ATOM 0 HG2 LYS A 48 11.990 10.053 -9.470 1.00 25.41 H new ATOM 0 HG3 LYS A 48 13.582 9.613 -8.884 1.00 25.41 H new ATOM 0 HD2 LYS A 48 11.613 7.768 -10.319 1.00 63.44 H new ATOM 0 HD3 LYS A 48 13.092 8.426 -10.991 1.00 63.44 H new ATOM 0 HE2 LYS A 48 14.446 7.141 -9.352 1.00 32.11 H new ATOM 0 HE3 LYS A 48 12.989 6.537 -8.588 1.00 32.11 H new ATOM 0 HZ1 LYS A 48 13.586 4.836 -9.997 1.00 65.35 H new ATOM 0 HZ2 LYS A 48 12.434 5.661 -10.933 1.00 65.35 H new ATOM 0 HZ3 LYS A 48 14.090 5.875 -11.242 1.00 65.35 H new ATOM 779 N ASP A 49 9.117 8.331 -5.829 1.00 0.33 N ATOM 780 CA ASP A 49 8.689 8.020 -4.465 1.00 14.54 C ATOM 781 C ASP A 49 7.584 6.937 -4.512 1.00 35.34 C ATOM 782 O ASP A 49 6.401 7.251 -4.622 1.00 21.54 O ATOM 783 CB ASP A 49 8.217 9.344 -3.807 1.00 64.40 C ATOM 784 CG ASP A 49 8.208 9.320 -2.283 1.00 53.34 C ATOM 785 OD1 ASP A 49 9.302 9.288 -1.679 1.00 75.21 O ATOM 786 OD2 ASP A 49 7.120 9.373 -1.678 1.00 62.41 O ATOM 0 H ASP A 49 8.623 9.124 -6.238 1.00 0.33 H new ATOM 0 HA ASP A 49 9.500 7.611 -3.863 1.00 14.54 H new ATOM 0 HB2 ASP A 49 8.865 10.154 -4.142 1.00 64.40 H new ATOM 0 HB3 ASP A 49 7.212 9.574 -4.161 1.00 64.40 H new ATOM 791 N ALA A 50 8.016 5.662 -4.479 1.00 62.21 N ATOM 792 CA ALA A 50 7.155 4.480 -4.746 1.00 41.05 C ATOM 793 C ALA A 50 6.056 4.267 -3.695 1.00 64.21 C ATOM 794 O ALA A 50 4.922 3.919 -4.034 1.00 20.23 O ATOM 795 CB ALA A 50 8.028 3.230 -4.858 1.00 31.13 C ATOM 0 H ALA A 50 8.982 5.414 -4.264 1.00 62.21 H new ATOM 0 HA ALA A 50 6.638 4.672 -5.686 1.00 41.05 H new ATOM 0 HB1 ALA A 50 7.398 2.362 -5.054 1.00 31.13 H new ATOM 0 HB2 ALA A 50 8.738 3.354 -5.675 1.00 31.13 H new ATOM 0 HB3 ALA A 50 8.571 3.081 -3.925 1.00 31.13 H new ATOM 801 N LYS A 51 6.406 4.480 -2.418 1.00 45.33 N ATOM 802 CA LYS A 51 5.462 4.322 -1.288 1.00 5.42 C ATOM 803 C LYS A 51 4.299 5.329 -1.372 1.00 73.12 C ATOM 804 O LYS A 51 3.240 5.099 -0.800 1.00 1.11 O ATOM 805 CB LYS A 51 6.188 4.420 0.089 1.00 74.34 C ATOM 806 CG LYS A 51 6.606 5.837 0.581 1.00 64.12 C ATOM 807 CD LYS A 51 7.637 6.547 -0.319 1.00 32.52 C ATOM 808 CE LYS A 51 8.935 5.765 -0.558 1.00 73.41 C ATOM 809 NZ LYS A 51 9.696 5.506 0.684 1.00 75.22 N ATOM 0 H LYS A 51 7.343 4.765 -2.134 1.00 45.33 H new ATOM 0 HA LYS A 51 5.039 3.321 -1.367 1.00 5.42 H new ATOM 0 HB2 LYS A 51 5.537 3.980 0.845 1.00 74.34 H new ATOM 0 HB3 LYS A 51 7.085 3.802 0.041 1.00 74.34 H new ATOM 0 HG2 LYS A 51 5.715 6.460 0.653 1.00 64.12 H new ATOM 0 HG3 LYS A 51 7.018 5.752 1.587 1.00 64.12 H new ATOM 0 HD2 LYS A 51 7.173 6.755 -1.283 1.00 32.52 H new ATOM 0 HD3 LYS A 51 7.887 7.509 0.129 1.00 32.52 H new ATOM 0 HE2 LYS A 51 8.696 4.815 -1.035 1.00 73.41 H new ATOM 0 HE3 LYS A 51 9.564 6.321 -1.253 1.00 73.41 H new ATOM 0 HZ1 LYS A 51 10.477 4.849 0.482 1.00 75.22 H new ATOM 0 HZ2 LYS A 51 10.082 6.401 1.048 1.00 75.22 H new ATOM 0 HZ3 LYS A 51 9.065 5.086 1.396 1.00 75.22 H new ATOM 823 N LEU A 52 4.522 6.438 -2.108 1.00 55.22 N ATOM 824 CA LEU A 52 3.502 7.479 -2.351 1.00 15.14 C ATOM 825 C LEU A 52 2.378 6.918 -3.248 1.00 44.13 C ATOM 826 O LEU A 52 1.192 7.229 -3.058 1.00 62.22 O ATOM 827 CB LEU A 52 4.183 8.737 -2.995 1.00 14.21 C ATOM 828 CG LEU A 52 3.744 10.129 -2.448 1.00 12.42 C ATOM 829 CD1 LEU A 52 2.337 10.514 -2.923 1.00 72.14 C ATOM 830 CD2 LEU A 52 3.854 10.171 -0.900 1.00 73.12 C ATOM 0 H LEU A 52 5.418 6.637 -2.552 1.00 55.22 H new ATOM 0 HA LEU A 52 3.050 7.783 -1.407 1.00 15.14 H new ATOM 0 HB2 LEU A 52 5.261 8.645 -2.864 1.00 14.21 H new ATOM 0 HB3 LEU A 52 3.990 8.717 -4.068 1.00 14.21 H new ATOM 0 HG LEU A 52 4.428 10.874 -2.856 1.00 12.42 H new ATOM 0 HD11 LEU A 52 2.071 11.491 -2.519 1.00 72.14 H new ATOM 0 HD12 LEU A 52 2.319 10.555 -4.012 1.00 72.14 H new ATOM 0 HD13 LEU A 52 1.620 9.770 -2.576 1.00 72.14 H new ATOM 0 HD21 LEU A 52 3.543 11.151 -0.540 1.00 73.12 H new ATOM 0 HD22 LEU A 52 3.210 9.405 -0.469 1.00 73.12 H new ATOM 0 HD23 LEU A 52 4.887 9.986 -0.603 1.00 73.12 H new ATOM 842 N TYR A 53 2.784 6.086 -4.221 1.00 74.33 N ATOM 843 CA TYR A 53 1.864 5.335 -5.085 1.00 74.41 C ATOM 844 C TYR A 53 1.122 4.253 -4.264 1.00 53.11 C ATOM 845 O TYR A 53 -0.056 3.988 -4.489 1.00 12.21 O ATOM 846 CB TYR A 53 2.640 4.666 -6.248 1.00 23.13 C ATOM 847 CG TYR A 53 3.325 5.629 -7.225 1.00 54.13 C ATOM 848 CD1 TYR A 53 4.618 6.097 -6.991 1.00 14.21 C ATOM 849 CD2 TYR A 53 2.683 6.051 -8.393 1.00 42.41 C ATOM 850 CE1 TYR A 53 5.245 6.951 -7.878 1.00 2.42 C ATOM 851 CE2 TYR A 53 3.310 6.900 -9.284 1.00 54.14 C ATOM 852 CZ TYR A 53 4.589 7.348 -9.021 1.00 41.11 C ATOM 853 OH TYR A 53 5.213 8.191 -9.915 1.00 71.11 O ATOM 0 H TYR A 53 3.768 5.916 -4.430 1.00 74.33 H new ATOM 0 HA TYR A 53 1.135 6.032 -5.499 1.00 74.41 H new ATOM 0 HB2 TYR A 53 3.397 4.006 -5.824 1.00 23.13 H new ATOM 0 HB3 TYR A 53 1.948 4.038 -6.809 1.00 23.13 H new ATOM 0 HD1 TYR A 53 5.140 5.785 -6.098 1.00 14.21 H new ATOM 0 HD2 TYR A 53 1.681 5.708 -8.602 1.00 42.41 H new ATOM 0 HE1 TYR A 53 6.245 7.305 -7.675 1.00 2.42 H new ATOM 0 HE2 TYR A 53 2.801 7.212 -10.184 1.00 54.14 H new ATOM 0 HH TYR A 53 6.179 8.183 -9.753 1.00 71.11 H new ATOM 863 N SER A 54 1.842 3.647 -3.302 1.00 12.22 N ATOM 864 CA SER A 54 1.312 2.568 -2.447 1.00 24.20 C ATOM 865 C SER A 54 0.295 3.089 -1.411 1.00 4.52 C ATOM 866 O SER A 54 -0.587 2.335 -0.984 1.00 44.33 O ATOM 867 CB SER A 54 2.478 1.850 -1.754 1.00 73.02 C ATOM 868 OG SER A 54 3.377 1.294 -2.705 1.00 34.35 O ATOM 0 H SER A 54 2.810 3.892 -3.095 1.00 12.22 H new ATOM 0 HA SER A 54 0.774 1.865 -3.083 1.00 24.20 H new ATOM 0 HB2 SER A 54 3.011 2.552 -1.113 1.00 73.02 H new ATOM 0 HB3 SER A 54 2.091 1.060 -1.110 1.00 73.02 H new ATOM 0 HG SER A 54 3.684 0.418 -2.391 1.00 34.35 H new ATOM 874 N ASN A 55 0.435 4.369 -1.006 1.00 4.11 N ATOM 875 CA ASN A 55 -0.544 5.052 -0.121 1.00 33.45 C ATOM 876 C ASN A 55 -1.889 5.216 -0.852 1.00 74.10 C ATOM 877 O ASN A 55 -2.961 5.134 -0.244 1.00 51.13 O ATOM 878 CB ASN A 55 -0.011 6.444 0.327 1.00 5.14 C ATOM 879 CG ASN A 55 1.232 6.375 1.217 1.00 72.14 C ATOM 880 OD1 ASN A 55 1.412 5.438 2.000 1.00 43.43 O ATOM 881 ND2 ASN A 55 2.102 7.370 1.097 1.00 23.15 N ATOM 0 H ASN A 55 1.222 4.958 -1.278 1.00 4.11 H new ATOM 0 HA ASN A 55 -0.689 4.437 0.767 1.00 33.45 H new ATOM 0 HB2 ASN A 55 0.221 7.036 -0.559 1.00 5.14 H new ATOM 0 HB3 ASN A 55 -0.801 6.969 0.863 1.00 5.14 H new ATOM 0 HD21 ASN A 55 2.951 7.376 1.662 1.00 23.15 H new ATOM 0 HD22 ASN A 55 1.922 8.129 0.440 1.00 23.15 H new ATOM 888 N ARG A 56 -1.791 5.428 -2.170 1.00 52.44 N ATOM 889 CA ARG A 56 -2.942 5.530 -3.069 1.00 44.34 C ATOM 890 C ARG A 56 -3.637 4.159 -3.204 1.00 70.04 C ATOM 891 O ARG A 56 -4.863 4.077 -3.174 1.00 44.32 O ATOM 892 CB ARG A 56 -2.458 6.034 -4.443 1.00 21.10 C ATOM 893 CG ARG A 56 -3.554 6.171 -5.510 1.00 65.01 C ATOM 894 CD ARG A 56 -2.967 6.507 -6.888 1.00 51.44 C ATOM 895 NE ARG A 56 -2.131 7.712 -6.829 1.00 22.43 N ATOM 896 CZ ARG A 56 -2.581 8.952 -6.994 1.00 20.40 C ATOM 897 NH1 ARG A 56 -3.861 9.198 -7.247 1.00 43.45 N ATOM 898 NH2 ARG A 56 -1.767 9.964 -6.825 1.00 74.14 N ATOM 0 H ARG A 56 -0.896 5.535 -2.647 1.00 52.44 H new ATOM 0 HA ARG A 56 -3.667 6.235 -2.662 1.00 44.34 H new ATOM 0 HB2 ARG A 56 -1.980 7.004 -4.309 1.00 21.10 H new ATOM 0 HB3 ARG A 56 -1.694 5.351 -4.815 1.00 21.10 H new ATOM 0 HG2 ARG A 56 -4.119 5.241 -5.572 1.00 65.01 H new ATOM 0 HG3 ARG A 56 -4.255 6.951 -5.213 1.00 65.01 H new ATOM 0 HD2 ARG A 56 -2.374 5.667 -7.248 1.00 51.44 H new ATOM 0 HD3 ARG A 56 -3.775 6.657 -7.604 1.00 51.44 H new ATOM 0 HE ARG A 56 -1.135 7.589 -6.649 1.00 22.43 H new ATOM 0 HH11 ARG A 56 -4.524 8.426 -7.319 1.00 43.45 H new ATOM 0 HH12 ARG A 56 -4.181 10.159 -7.370 1.00 43.45 H new ATOM 0 HH21 ARG A 56 -0.794 9.798 -6.568 1.00 74.14 H new ATOM 0 HH22 ARG A 56 -2.106 10.918 -6.950 1.00 74.14 H new ATOM 912 N ALA A 57 -2.824 3.089 -3.344 1.00 64.21 N ATOM 913 CA ALA A 57 -3.312 1.693 -3.412 1.00 53.21 C ATOM 914 C ALA A 57 -3.960 1.263 -2.081 1.00 3.32 C ATOM 915 O ALA A 57 -4.899 0.453 -2.065 1.00 65.43 O ATOM 916 CB ALA A 57 -2.163 0.748 -3.771 1.00 15.04 C ATOM 0 H ALA A 57 -1.809 3.169 -3.413 1.00 64.21 H new ATOM 0 HA ALA A 57 -4.073 1.639 -4.190 1.00 53.21 H new ATOM 0 HB1 ALA A 57 -2.535 -0.276 -3.818 1.00 15.04 H new ATOM 0 HB2 ALA A 57 -1.750 1.029 -4.740 1.00 15.04 H new ATOM 0 HB3 ALA A 57 -1.384 0.817 -3.011 1.00 15.04 H new ATOM 922 N ALA A 58 -3.438 1.828 -0.982 1.00 70.20 N ATOM 923 CA ALA A 58 -3.961 1.619 0.374 1.00 72.51 C ATOM 924 C ALA A 58 -5.378 2.207 0.514 1.00 74.34 C ATOM 925 O ALA A 58 -6.210 1.671 1.249 1.00 54.40 O ATOM 926 CB ALA A 58 -3.002 2.244 1.400 1.00 75.34 C ATOM 0 H ALA A 58 -2.631 2.451 -1.012 1.00 70.20 H new ATOM 0 HA ALA A 58 -4.030 0.548 0.564 1.00 72.51 H new ATOM 0 HB1 ALA A 58 -3.393 2.087 2.406 1.00 75.34 H new ATOM 0 HB2 ALA A 58 -2.022 1.775 1.314 1.00 75.34 H new ATOM 0 HB3 ALA A 58 -2.911 3.313 1.209 1.00 75.34 H new ATOM 932 N CYS A 59 -5.628 3.319 -0.203 1.00 63.14 N ATOM 933 CA CYS A 59 -6.963 3.934 -0.291 1.00 33.13 C ATOM 934 C CYS A 59 -7.854 3.150 -1.288 1.00 32.41 C ATOM 935 O CYS A 59 -9.048 2.950 -1.041 1.00 61.12 O ATOM 936 CB CYS A 59 -6.826 5.409 -0.724 1.00 53.44 C ATOM 937 SG CYS A 59 -5.729 6.384 0.328 1.00 40.23 S ATOM 0 H CYS A 59 -4.912 3.814 -0.735 1.00 63.14 H new ATOM 0 HA CYS A 59 -7.440 3.897 0.689 1.00 33.13 H new ATOM 0 HB2 CYS A 59 -6.455 5.443 -1.748 1.00 53.44 H new ATOM 0 HB3 CYS A 59 -7.814 5.869 -0.727 1.00 53.44 H new ATOM 0 HG CYS A 59 -6.332 6.660 1.446 1.00 40.23 H new ATOM 943 N TYR A 60 -7.233 2.670 -2.396 1.00 31.44 N ATOM 944 CA TYR A 60 -7.932 1.949 -3.484 1.00 64.33 C ATOM 945 C TYR A 60 -8.664 0.697 -2.983 1.00 34.01 C ATOM 946 O TYR A 60 -9.733 0.378 -3.493 1.00 74.22 O ATOM 947 CB TYR A 60 -6.957 1.583 -4.646 1.00 60.35 C ATOM 948 CG TYR A 60 -6.702 2.711 -5.663 1.00 71.34 C ATOM 949 CD1 TYR A 60 -7.674 3.688 -5.929 1.00 73.15 C ATOM 950 CD2 TYR A 60 -5.515 2.768 -6.393 1.00 23.22 C ATOM 951 CE1 TYR A 60 -7.460 4.672 -6.874 1.00 33.41 C ATOM 952 CE2 TYR A 60 -5.302 3.756 -7.335 1.00 74.51 C ATOM 953 CZ TYR A 60 -6.280 4.705 -7.571 1.00 71.20 C ATOM 954 OH TYR A 60 -6.069 5.697 -8.508 1.00 74.11 O ATOM 0 H TYR A 60 -6.231 2.774 -2.557 1.00 31.44 H new ATOM 0 HA TYR A 60 -8.686 2.635 -3.869 1.00 64.33 H new ATOM 0 HB2 TYR A 60 -6.002 1.279 -4.217 1.00 60.35 H new ATOM 0 HB3 TYR A 60 -7.357 0.719 -5.177 1.00 60.35 H new ATOM 0 HD1 TYR A 60 -8.607 3.670 -5.385 1.00 73.15 H new ATOM 0 HD2 TYR A 60 -4.749 2.027 -6.219 1.00 23.22 H new ATOM 0 HE1 TYR A 60 -8.221 5.414 -7.064 1.00 33.41 H new ATOM 0 HE2 TYR A 60 -4.374 3.787 -7.886 1.00 74.51 H new ATOM 0 HH TYR A 60 -5.184 5.581 -8.913 1.00 74.11 H new ATOM 964 N THR A 61 -8.097 0.015 -1.976 1.00 34.33 N ATOM 965 CA THR A 61 -8.755 -1.144 -1.340 1.00 52.50 C ATOM 966 C THR A 61 -10.144 -0.754 -0.787 1.00 3.20 C ATOM 967 O THR A 61 -11.141 -1.455 -1.010 1.00 44.24 O ATOM 968 CB THR A 61 -7.892 -1.749 -0.182 1.00 71.23 C ATOM 969 OG1 THR A 61 -7.663 -0.766 0.842 1.00 62.13 O ATOM 970 CG2 THR A 61 -6.544 -2.282 -0.688 1.00 31.30 C ATOM 0 H THR A 61 -7.184 0.244 -1.582 1.00 34.33 H new ATOM 0 HA THR A 61 -8.869 -1.901 -2.116 1.00 52.50 H new ATOM 0 HB THR A 61 -8.455 -2.586 0.231 1.00 71.23 H new ATOM 0 HG1 THR A 61 -7.072 -0.065 0.496 1.00 62.13 H new ATOM 0 HG21 THR A 61 -5.978 -2.692 0.148 1.00 31.30 H new ATOM 0 HG22 THR A 61 -6.716 -3.064 -1.428 1.00 31.30 H new ATOM 0 HG23 THR A 61 -5.979 -1.469 -1.144 1.00 31.30 H new ATOM 978 N LYS A 62 -10.198 0.441 -0.164 1.00 75.51 N ATOM 979 CA LYS A 62 -11.401 0.958 0.512 1.00 43.00 C ATOM 980 C LYS A 62 -12.479 1.328 -0.525 1.00 74.31 C ATOM 981 O LYS A 62 -13.681 1.282 -0.251 1.00 4.25 O ATOM 982 CB LYS A 62 -11.015 2.200 1.367 1.00 51.33 C ATOM 983 CG LYS A 62 -9.818 1.981 2.328 1.00 45.42 C ATOM 984 CD LYS A 62 -10.069 0.922 3.435 1.00 50.14 C ATOM 985 CE LYS A 62 -10.987 1.425 4.577 1.00 3.04 C ATOM 986 NZ LYS A 62 -12.400 1.666 4.153 1.00 74.23 N ATOM 0 H LYS A 62 -9.402 1.077 -0.117 1.00 75.51 H new ATOM 0 HA LYS A 62 -11.810 0.187 1.165 1.00 43.00 H new ATOM 0 HB2 LYS A 62 -10.778 3.026 0.696 1.00 51.33 H new ATOM 0 HB3 LYS A 62 -11.882 2.504 1.953 1.00 51.33 H new ATOM 0 HG2 LYS A 62 -8.949 1.679 1.743 1.00 45.42 H new ATOM 0 HG3 LYS A 62 -9.569 2.931 2.801 1.00 45.42 H new ATOM 0 HD2 LYS A 62 -10.516 0.036 2.984 1.00 50.14 H new ATOM 0 HD3 LYS A 62 -9.112 0.616 3.857 1.00 50.14 H new ATOM 0 HE2 LYS A 62 -10.980 0.694 5.385 1.00 3.04 H new ATOM 0 HE3 LYS A 62 -10.576 2.350 4.980 1.00 3.04 H new ATOM 0 HZ1 LYS A 62 -13.043 1.418 4.932 1.00 74.23 H new ATOM 0 HZ2 LYS A 62 -12.523 2.669 3.908 1.00 74.23 H new ATOM 0 HZ3 LYS A 62 -12.619 1.078 3.323 1.00 74.23 H new ATOM 1000 N LEU A 63 -12.008 1.683 -1.730 1.00 12.24 N ATOM 1001 CA LEU A 63 -12.854 2.066 -2.868 1.00 24.12 C ATOM 1002 C LEU A 63 -13.092 0.867 -3.810 1.00 42.12 C ATOM 1003 O LEU A 63 -13.598 1.054 -4.922 1.00 43.42 O ATOM 1004 CB LEU A 63 -12.175 3.240 -3.625 1.00 53.52 C ATOM 1005 CG LEU A 63 -11.810 4.487 -2.755 1.00 41.32 C ATOM 1006 CD1 LEU A 63 -11.092 5.558 -3.595 1.00 44.33 C ATOM 1007 CD2 LEU A 63 -13.054 5.067 -2.047 1.00 34.15 C ATOM 0 H LEU A 63 -11.011 1.712 -1.944 1.00 12.24 H new ATOM 0 HA LEU A 63 -13.829 2.386 -2.501 1.00 24.12 H new ATOM 0 HB2 LEU A 63 -11.264 2.867 -4.093 1.00 53.52 H new ATOM 0 HB3 LEU A 63 -12.838 3.562 -4.428 1.00 53.52 H new ATOM 0 HG LEU A 63 -11.120 4.157 -1.979 1.00 41.32 H new ATOM 0 HD11 LEU A 63 -10.850 6.413 -2.964 1.00 44.33 H new ATOM 0 HD12 LEU A 63 -10.174 5.141 -4.008 1.00 44.33 H new ATOM 0 HD13 LEU A 63 -11.743 5.879 -4.408 1.00 44.33 H new ATOM 0 HD21 LEU A 63 -12.763 5.932 -1.451 1.00 34.15 H new ATOM 0 HD22 LEU A 63 -13.789 5.370 -2.793 1.00 34.15 H new ATOM 0 HD23 LEU A 63 -13.489 4.308 -1.396 1.00 34.15 H new ATOM 1019 N LEU A 64 -12.704 -0.362 -3.352 1.00 3.13 N ATOM 1020 CA LEU A 64 -12.899 -1.632 -4.104 1.00 32.13 C ATOM 1021 C LEU A 64 -12.051 -1.694 -5.402 1.00 54.43 C ATOM 1022 O LEU A 64 -12.199 -2.626 -6.200 1.00 34.33 O ATOM 1023 CB LEU A 64 -14.420 -1.925 -4.398 1.00 3.21 C ATOM 1024 CG LEU A 64 -15.326 -2.344 -3.180 1.00 55.24 C ATOM 1025 CD1 LEU A 64 -14.788 -3.615 -2.480 1.00 30.05 C ATOM 1026 CD2 LEU A 64 -15.531 -1.192 -2.166 1.00 72.21 C ATOM 0 H LEU A 64 -12.247 -0.495 -2.450 1.00 3.13 H new ATOM 0 HA LEU A 64 -12.536 -2.425 -3.450 1.00 32.13 H new ATOM 0 HB2 LEU A 64 -14.854 -1.033 -4.849 1.00 3.21 H new ATOM 0 HB3 LEU A 64 -14.472 -2.717 -5.145 1.00 3.21 H new ATOM 0 HG LEU A 64 -16.307 -2.578 -3.594 1.00 55.24 H new ATOM 0 HD11 LEU A 64 -15.439 -3.874 -1.645 1.00 30.05 H new ATOM 0 HD12 LEU A 64 -14.766 -4.440 -3.192 1.00 30.05 H new ATOM 0 HD13 LEU A 64 -13.780 -3.428 -2.110 1.00 30.05 H new ATOM 0 HD21 LEU A 64 -16.163 -1.536 -1.347 1.00 72.21 H new ATOM 0 HD22 LEU A 64 -14.565 -0.878 -1.771 1.00 72.21 H new ATOM 0 HD23 LEU A 64 -16.010 -0.349 -2.665 1.00 72.21 H new ATOM 1038 N GLU A 65 -11.129 -0.730 -5.569 1.00 23.15 N ATOM 1039 CA GLU A 65 -10.228 -0.623 -6.736 1.00 75.42 C ATOM 1040 C GLU A 65 -8.963 -1.501 -6.568 1.00 43.40 C ATOM 1041 O GLU A 65 -7.845 -1.077 -6.908 1.00 11.25 O ATOM 1042 CB GLU A 65 -9.828 0.868 -6.924 1.00 3.00 C ATOM 1043 CG GLU A 65 -10.994 1.853 -7.125 1.00 32.32 C ATOM 1044 CD GLU A 65 -11.850 1.523 -8.358 1.00 2.01 C ATOM 1045 OE1 GLU A 65 -11.340 1.635 -9.492 1.00 74.32 O ATOM 1046 OE2 GLU A 65 -13.028 1.141 -8.202 1.00 62.40 O ATOM 0 H GLU A 65 -10.984 0.012 -4.885 1.00 23.15 H new ATOM 0 HA GLU A 65 -10.755 -0.986 -7.618 1.00 75.42 H new ATOM 0 HB2 GLU A 65 -9.256 1.184 -6.052 1.00 3.00 H new ATOM 0 HB3 GLU A 65 -9.163 0.941 -7.785 1.00 3.00 H new ATOM 0 HG2 GLU A 65 -11.626 1.845 -6.237 1.00 32.32 H new ATOM 0 HG3 GLU A 65 -10.597 2.863 -7.225 1.00 32.32 H new ATOM 1053 N PHE A 66 -9.161 -2.753 -6.106 1.00 61.42 N ATOM 1054 CA PHE A 66 -8.068 -3.707 -5.841 1.00 73.21 C ATOM 1055 C PHE A 66 -7.251 -4.021 -7.123 1.00 53.02 C ATOM 1056 O PHE A 66 -6.059 -4.331 -7.034 1.00 53.54 O ATOM 1057 CB PHE A 66 -8.629 -5.010 -5.229 1.00 54.43 C ATOM 1058 CG PHE A 66 -9.311 -4.871 -3.863 1.00 72.22 C ATOM 1059 CD1 PHE A 66 -8.568 -4.951 -2.694 1.00 33.14 C ATOM 1060 CD2 PHE A 66 -10.688 -4.706 -3.746 1.00 75.54 C ATOM 1061 CE1 PHE A 66 -9.166 -4.873 -1.453 1.00 51.22 C ATOM 1062 CE2 PHE A 66 -11.286 -4.618 -2.498 1.00 35.43 C ATOM 1063 CZ PHE A 66 -10.524 -4.702 -1.356 1.00 22.33 C ATOM 0 H PHE A 66 -10.087 -3.130 -5.906 1.00 61.42 H new ATOM 0 HA PHE A 66 -7.390 -3.240 -5.127 1.00 73.21 H new ATOM 0 HB2 PHE A 66 -9.346 -5.438 -5.929 1.00 54.43 H new ATOM 0 HB3 PHE A 66 -7.812 -5.725 -5.134 1.00 54.43 H new ATOM 0 HD1 PHE A 66 -7.497 -5.077 -2.757 1.00 33.14 H new ATOM 0 HD2 PHE A 66 -11.297 -4.646 -4.636 1.00 75.54 H new ATOM 0 HE1 PHE A 66 -8.565 -4.947 -0.558 1.00 51.22 H new ATOM 0 HE2 PHE A 66 -12.355 -4.483 -2.422 1.00 35.43 H new ATOM 0 HZ PHE A 66 -10.993 -4.634 -0.386 1.00 22.33 H new ATOM 1073 N GLN A 67 -7.904 -3.910 -8.308 1.00 52.23 N ATOM 1074 CA GLN A 67 -7.236 -4.046 -9.628 1.00 15.41 C ATOM 1075 C GLN A 67 -6.081 -3.042 -9.763 1.00 65.14 C ATOM 1076 O GLN A 67 -5.002 -3.377 -10.269 1.00 5.41 O ATOM 1077 CB GLN A 67 -8.238 -3.810 -10.796 1.00 43.40 C ATOM 1078 CG GLN A 67 -9.411 -4.800 -10.872 1.00 11.04 C ATOM 1079 CD GLN A 67 -8.964 -6.256 -11.043 1.00 14.03 C ATOM 1080 OE1 GLN A 67 -8.782 -6.742 -12.156 1.00 73.31 O ATOM 1081 NE2 GLN A 67 -8.802 -6.963 -9.943 1.00 13.32 N ATOM 0 H GLN A 67 -8.905 -3.724 -8.375 1.00 52.23 H new ATOM 0 HA GLN A 67 -6.849 -5.063 -9.685 1.00 15.41 H new ATOM 0 HB2 GLN A 67 -8.642 -2.801 -10.707 1.00 43.40 H new ATOM 0 HB3 GLN A 67 -7.689 -3.852 -11.737 1.00 43.40 H new ATOM 0 HG2 GLN A 67 -10.009 -4.715 -9.965 1.00 11.04 H new ATOM 0 HG3 GLN A 67 -10.056 -4.525 -11.706 1.00 11.04 H new ATOM 0 HE21 GLN A 67 -8.960 -6.532 -9.032 1.00 13.32 H new ATOM 0 HE22 GLN A 67 -8.518 -7.941 -10.002 1.00 13.32 H new ATOM 1090 N LEU A 68 -6.325 -1.813 -9.275 1.00 64.05 N ATOM 1091 CA LEU A 68 -5.360 -0.713 -9.362 1.00 33.31 C ATOM 1092 C LEU A 68 -4.261 -0.899 -8.303 1.00 21.11 C ATOM 1093 O LEU A 68 -3.119 -0.490 -8.513 1.00 55.32 O ATOM 1094 CB LEU A 68 -6.079 0.649 -9.206 1.00 73.34 C ATOM 1095 CG LEU A 68 -7.294 0.903 -10.156 1.00 13.13 C ATOM 1096 CD1 LEU A 68 -7.843 2.331 -9.979 1.00 54.13 C ATOM 1097 CD2 LEU A 68 -6.945 0.610 -11.633 1.00 33.32 C ATOM 0 H LEU A 68 -7.197 -1.559 -8.811 1.00 64.05 H new ATOM 0 HA LEU A 68 -4.888 -0.723 -10.344 1.00 33.31 H new ATOM 0 HB2 LEU A 68 -6.425 0.737 -8.176 1.00 73.34 H new ATOM 0 HB3 LEU A 68 -5.348 1.442 -9.365 1.00 73.34 H new ATOM 0 HG LEU A 68 -8.080 0.203 -9.873 1.00 13.13 H new ATOM 0 HD11 LEU A 68 -8.688 2.482 -10.651 1.00 54.13 H new ATOM 0 HD12 LEU A 68 -8.170 2.470 -8.949 1.00 54.13 H new ATOM 0 HD13 LEU A 68 -7.060 3.053 -10.212 1.00 54.13 H new ATOM 0 HD21 LEU A 68 -7.818 0.800 -12.258 1.00 33.32 H new ATOM 0 HD22 LEU A 68 -6.126 1.256 -11.948 1.00 33.32 H new ATOM 0 HD23 LEU A 68 -6.645 -0.433 -11.736 1.00 33.32 H new ATOM 1109 N ALA A 69 -4.628 -1.554 -7.184 1.00 31.04 N ATOM 1110 CA ALA A 69 -3.692 -1.901 -6.101 1.00 32.05 C ATOM 1111 C ALA A 69 -2.690 -2.993 -6.543 1.00 33.14 C ATOM 1112 O ALA A 69 -1.534 -2.998 -6.102 1.00 43.12 O ATOM 1113 CB ALA A 69 -4.468 -2.342 -4.844 1.00 41.24 C ATOM 0 H ALA A 69 -5.586 -1.857 -7.007 1.00 31.04 H new ATOM 0 HA ALA A 69 -3.114 -1.010 -5.859 1.00 32.05 H new ATOM 0 HB1 ALA A 69 -3.764 -2.595 -4.052 1.00 41.24 H new ATOM 0 HB2 ALA A 69 -5.112 -1.529 -4.510 1.00 41.24 H new ATOM 0 HB3 ALA A 69 -5.078 -3.214 -5.080 1.00 41.24 H new ATOM 1119 N LEU A 70 -3.156 -3.921 -7.409 1.00 55.44 N ATOM 1120 CA LEU A 70 -2.298 -4.983 -7.990 1.00 72.13 C ATOM 1121 C LEU A 70 -1.260 -4.396 -8.968 1.00 44.41 C ATOM 1122 O LEU A 70 -0.045 -4.663 -8.855 1.00 4.35 O ATOM 1123 CB LEU A 70 -3.152 -6.048 -8.730 1.00 55.11 C ATOM 1124 CG LEU A 70 -4.205 -6.830 -7.893 1.00 73.11 C ATOM 1125 CD1 LEU A 70 -4.837 -7.953 -8.749 1.00 73.55 C ATOM 1126 CD2 LEU A 70 -3.604 -7.371 -6.572 1.00 43.44 C ATOM 0 H LEU A 70 -4.126 -3.957 -7.723 1.00 55.44 H new ATOM 0 HA LEU A 70 -1.773 -5.457 -7.160 1.00 72.13 H new ATOM 0 HB2 LEU A 70 -3.674 -5.552 -9.549 1.00 55.11 H new ATOM 0 HB3 LEU A 70 -2.472 -6.773 -9.178 1.00 55.11 H new ATOM 0 HG LEU A 70 -4.997 -6.139 -7.605 1.00 73.11 H new ATOM 0 HD11 LEU A 70 -5.572 -8.494 -8.154 1.00 73.55 H new ATOM 0 HD12 LEU A 70 -5.326 -7.516 -9.620 1.00 73.55 H new ATOM 0 HD13 LEU A 70 -4.059 -8.642 -9.078 1.00 73.55 H new ATOM 0 HD21 LEU A 70 -4.372 -7.911 -6.017 1.00 43.44 H new ATOM 0 HD22 LEU A 70 -2.778 -8.045 -6.797 1.00 43.44 H new ATOM 0 HD23 LEU A 70 -3.239 -6.538 -5.970 1.00 43.44 H new ATOM 1138 N LYS A 71 -1.754 -3.602 -9.942 1.00 14.54 N ATOM 1139 CA LYS A 71 -0.884 -2.985 -10.956 1.00 41.44 C ATOM 1140 C LYS A 71 0.059 -1.961 -10.308 1.00 50.12 C ATOM 1141 O LYS A 71 1.170 -1.744 -10.800 1.00 3.41 O ATOM 1142 CB LYS A 71 -1.687 -2.350 -12.108 1.00 53.45 C ATOM 1143 CG LYS A 71 -2.555 -1.134 -11.724 1.00 20.11 C ATOM 1144 CD LYS A 71 -3.402 -0.618 -12.909 1.00 24.43 C ATOM 1145 CE LYS A 71 -4.406 -1.668 -13.421 1.00 35.32 C ATOM 1146 NZ LYS A 71 -5.099 -1.216 -14.656 1.00 43.14 N ATOM 0 H LYS A 71 -2.744 -3.377 -10.044 1.00 14.54 H new ATOM 0 HA LYS A 71 -0.283 -3.781 -11.395 1.00 41.44 H new ATOM 0 HB2 LYS A 71 -0.990 -2.044 -12.888 1.00 53.45 H new ATOM 0 HB3 LYS A 71 -2.334 -3.113 -12.540 1.00 53.45 H new ATOM 0 HG2 LYS A 71 -3.215 -1.408 -10.901 1.00 20.11 H new ATOM 0 HG3 LYS A 71 -1.912 -0.331 -11.364 1.00 20.11 H new ATOM 0 HD2 LYS A 71 -3.943 0.277 -12.602 1.00 24.43 H new ATOM 0 HD3 LYS A 71 -2.740 -0.326 -13.724 1.00 24.43 H new ATOM 0 HE2 LYS A 71 -3.883 -2.604 -13.620 1.00 35.32 H new ATOM 0 HE3 LYS A 71 -5.144 -1.874 -12.645 1.00 35.32 H new ATOM 0 HZ1 LYS A 71 -5.766 -1.950 -14.968 1.00 43.14 H new ATOM 0 HZ2 LYS A 71 -5.619 -0.337 -14.460 1.00 43.14 H new ATOM 0 HZ3 LYS A 71 -4.398 -1.044 -15.405 1.00 43.14 H new ATOM 1160 N ASP A 72 -0.396 -1.366 -9.181 1.00 73.43 N ATOM 1161 CA ASP A 72 0.460 -0.551 -8.321 1.00 24.33 C ATOM 1162 C ASP A 72 1.608 -1.391 -7.751 1.00 5.40 C ATOM 1163 O ASP A 72 2.737 -0.953 -7.762 1.00 40.11 O ATOM 1164 CB ASP A 72 -0.339 0.083 -7.165 1.00 71.23 C ATOM 1165 CG ASP A 72 0.558 0.918 -6.242 1.00 1.44 C ATOM 1166 OD1 ASP A 72 0.993 1.990 -6.675 1.00 71.41 O ATOM 1167 OD2 ASP A 72 0.863 0.482 -5.109 1.00 23.12 O ATOM 0 H ASP A 72 -1.359 -1.443 -8.854 1.00 73.43 H new ATOM 0 HA ASP A 72 0.869 0.250 -8.936 1.00 24.33 H new ATOM 0 HB2 ASP A 72 -1.129 0.714 -7.572 1.00 71.23 H new ATOM 0 HB3 ASP A 72 -0.825 -0.702 -6.586 1.00 71.23 H new ATOM 1172 N CYS A 73 1.292 -2.605 -7.263 1.00 51.31 N ATOM 1173 CA CYS A 73 2.285 -3.509 -6.649 1.00 52.45 C ATOM 1174 C CYS A 73 3.405 -3.864 -7.636 1.00 11.10 C ATOM 1175 O CYS A 73 4.589 -3.685 -7.331 1.00 71.53 O ATOM 1176 CB CYS A 73 1.616 -4.803 -6.156 1.00 4.04 C ATOM 1177 SG CYS A 73 2.738 -5.923 -5.281 1.00 71.00 S ATOM 0 H CYS A 73 0.346 -2.986 -7.282 1.00 51.31 H new ATOM 0 HA CYS A 73 2.719 -2.980 -5.801 1.00 52.45 H new ATOM 0 HB2 CYS A 73 0.789 -4.544 -5.495 1.00 4.04 H new ATOM 0 HB3 CYS A 73 1.188 -5.328 -7.011 1.00 4.04 H new ATOM 0 HG CYS A 73 2.086 -6.982 -4.903 1.00 71.00 H new ATOM 1183 N GLU A 74 3.004 -4.336 -8.836 1.00 34.44 N ATOM 1184 CA GLU A 74 3.962 -4.843 -9.844 1.00 44.12 C ATOM 1185 C GLU A 74 4.840 -3.722 -10.453 1.00 33.10 C ATOM 1186 O GLU A 74 5.920 -4.008 -10.976 1.00 42.21 O ATOM 1187 CB GLU A 74 3.229 -5.644 -10.953 1.00 62.11 C ATOM 1188 CG GLU A 74 2.143 -4.860 -11.699 1.00 61.14 C ATOM 1189 CD GLU A 74 1.390 -5.697 -12.742 1.00 0.54 C ATOM 1190 OE1 GLU A 74 0.658 -6.630 -12.349 1.00 64.34 O ATOM 1191 OE2 GLU A 74 1.530 -5.439 -13.958 1.00 1.15 O ATOM 0 H GLU A 74 2.028 -4.377 -9.130 1.00 34.44 H new ATOM 0 HA GLU A 74 4.640 -5.518 -9.321 1.00 44.12 H new ATOM 0 HB2 GLU A 74 3.966 -5.995 -11.676 1.00 62.11 H new ATOM 0 HB3 GLU A 74 2.776 -6.528 -10.504 1.00 62.11 H new ATOM 0 HG2 GLU A 74 1.428 -4.467 -10.976 1.00 61.14 H new ATOM 0 HG3 GLU A 74 2.600 -4.003 -12.194 1.00 61.14 H new ATOM 1198 N GLU A 75 4.389 -2.455 -10.404 1.00 71.23 N ATOM 1199 CA GLU A 75 5.229 -1.313 -10.846 1.00 60.21 C ATOM 1200 C GLU A 75 6.089 -0.779 -9.675 1.00 23.55 C ATOM 1201 O GLU A 75 7.290 -0.528 -9.839 1.00 51.12 O ATOM 1202 CB GLU A 75 4.362 -0.192 -11.493 1.00 70.32 C ATOM 1203 CG GLU A 75 3.412 0.569 -10.545 1.00 74.10 C ATOM 1204 CD GLU A 75 2.542 1.611 -11.261 1.00 74.15 C ATOM 1205 OE1 GLU A 75 3.074 2.680 -11.633 1.00 15.44 O ATOM 1206 OE2 GLU A 75 1.330 1.367 -11.470 1.00 5.35 O ATOM 0 H GLU A 75 3.462 -2.192 -10.069 1.00 71.23 H new ATOM 0 HA GLU A 75 5.912 -1.669 -11.617 1.00 60.21 H new ATOM 0 HB2 GLU A 75 5.031 0.531 -11.960 1.00 70.32 H new ATOM 0 HB3 GLU A 75 3.766 -0.637 -12.290 1.00 70.32 H new ATOM 0 HG2 GLU A 75 2.765 -0.148 -10.039 1.00 74.10 H new ATOM 0 HG3 GLU A 75 4.001 1.066 -9.774 1.00 74.10 H new ATOM 1213 N CYS A 76 5.478 -0.680 -8.479 1.00 2.21 N ATOM 1214 CA CYS A 76 6.125 -0.106 -7.275 1.00 70.12 C ATOM 1215 C CYS A 76 7.298 -0.968 -6.801 1.00 14.24 C ATOM 1216 O CYS A 76 8.257 -0.445 -6.244 1.00 33.11 O ATOM 1217 CB CYS A 76 5.100 0.068 -6.136 1.00 13.13 C ATOM 1218 SG CYS A 76 5.770 0.770 -4.612 1.00 13.20 S ATOM 0 H CYS A 76 4.522 -0.995 -8.316 1.00 2.21 H new ATOM 0 HA CYS A 76 6.517 0.873 -7.551 1.00 70.12 H new ATOM 0 HB2 CYS A 76 4.291 0.708 -6.489 1.00 13.13 H new ATOM 0 HB3 CYS A 76 4.662 -0.904 -5.909 1.00 13.13 H new ATOM 0 HG CYS A 76 4.799 1.008 -3.781 1.00 13.20 H new ATOM 1224 N ILE A 77 7.227 -2.287 -7.072 1.00 60.44 N ATOM 1225 CA ILE A 77 8.307 -3.242 -6.740 1.00 5.34 C ATOM 1226 C ILE A 77 9.608 -2.877 -7.505 1.00 20.13 C ATOM 1227 O ILE A 77 10.717 -3.143 -7.022 1.00 24.14 O ATOM 1228 CB ILE A 77 7.838 -4.739 -7.026 1.00 21.33 C ATOM 1229 CG1 ILE A 77 8.753 -5.831 -6.349 1.00 53.41 C ATOM 1230 CG2 ILE A 77 7.702 -5.019 -8.539 1.00 11.23 C ATOM 1231 CD1 ILE A 77 10.050 -6.197 -7.074 1.00 42.03 C ATOM 0 H ILE A 77 6.423 -2.720 -7.526 1.00 60.44 H new ATOM 0 HA ILE A 77 8.528 -3.173 -5.675 1.00 5.34 H new ATOM 0 HB ILE A 77 6.855 -4.821 -6.562 1.00 21.33 H new ATOM 0 HG12 ILE A 77 9.011 -5.484 -5.348 1.00 53.41 H new ATOM 0 HG13 ILE A 77 8.164 -6.740 -6.229 1.00 53.41 H new ATOM 0 HG21 ILE A 77 7.381 -6.049 -8.691 1.00 11.23 H new ATOM 0 HG22 ILE A 77 6.964 -4.342 -8.970 1.00 11.23 H new ATOM 0 HG23 ILE A 77 8.665 -4.864 -9.026 1.00 11.23 H new ATOM 0 HD11 ILE A 77 10.584 -6.957 -6.503 1.00 42.03 H new ATOM 0 HD12 ILE A 77 9.816 -6.585 -8.065 1.00 42.03 H new ATOM 0 HD13 ILE A 77 10.676 -5.310 -7.170 1.00 42.03 H new ATOM 1243 N GLN A 78 9.461 -2.219 -8.674 1.00 75.34 N ATOM 1244 CA GLN A 78 10.600 -1.820 -9.515 1.00 22.03 C ATOM 1245 C GLN A 78 11.361 -0.643 -8.877 1.00 71.25 C ATOM 1246 O GLN A 78 12.592 -0.616 -8.888 1.00 61.20 O ATOM 1247 CB GLN A 78 10.109 -1.459 -10.946 1.00 24.24 C ATOM 1248 CG GLN A 78 9.367 -2.610 -11.661 1.00 30.11 C ATOM 1249 CD GLN A 78 10.272 -3.806 -11.977 1.00 33.12 C ATOM 1250 OE1 GLN A 78 10.841 -3.892 -13.062 1.00 25.13 O ATOM 1251 NE2 GLN A 78 10.432 -4.705 -11.024 1.00 20.14 N ATOM 0 H GLN A 78 8.554 -1.952 -9.056 1.00 75.34 H new ATOM 0 HA GLN A 78 11.290 -2.660 -9.591 1.00 22.03 H new ATOM 0 HB2 GLN A 78 9.447 -0.595 -10.885 1.00 24.24 H new ATOM 0 HB3 GLN A 78 10.966 -1.162 -11.550 1.00 24.24 H new ATOM 0 HG2 GLN A 78 8.539 -2.944 -11.036 1.00 30.11 H new ATOM 0 HG3 GLN A 78 8.935 -2.234 -12.588 1.00 30.11 H new ATOM 0 HE21 GLN A 78 9.942 -4.599 -10.136 1.00 20.14 H new ATOM 0 HE22 GLN A 78 11.046 -5.506 -11.176 1.00 20.14 H new ATOM 1260 N LEU A 79 10.612 0.317 -8.310 1.00 53.14 N ATOM 1261 CA LEU A 79 11.199 1.519 -7.686 1.00 52.41 C ATOM 1262 C LEU A 79 11.649 1.223 -6.243 1.00 2.31 C ATOM 1263 O LEU A 79 12.823 1.402 -5.899 1.00 2.23 O ATOM 1264 CB LEU A 79 10.190 2.696 -7.720 1.00 21.30 C ATOM 1265 CG LEU A 79 9.686 3.132 -9.131 1.00 71.25 C ATOM 1266 CD1 LEU A 79 8.758 4.368 -9.040 1.00 5.14 C ATOM 1267 CD2 LEU A 79 10.872 3.378 -10.089 1.00 22.24 C ATOM 0 H LEU A 79 9.593 0.285 -8.270 1.00 53.14 H new ATOM 0 HA LEU A 79 12.080 1.807 -8.259 1.00 52.41 H new ATOM 0 HB2 LEU A 79 9.324 2.423 -7.117 1.00 21.30 H new ATOM 0 HB3 LEU A 79 10.653 3.558 -7.240 1.00 21.30 H new ATOM 0 HG LEU A 79 9.094 2.315 -9.544 1.00 71.25 H new ATOM 0 HD11 LEU A 79 8.424 4.647 -10.039 1.00 5.14 H new ATOM 0 HD12 LEU A 79 7.893 4.129 -8.422 1.00 5.14 H new ATOM 0 HD13 LEU A 79 9.303 5.200 -8.595 1.00 5.14 H new ATOM 0 HD21 LEU A 79 10.494 3.681 -11.066 1.00 22.24 H new ATOM 0 HD22 LEU A 79 11.508 4.166 -9.686 1.00 22.24 H new ATOM 0 HD23 LEU A 79 11.452 2.461 -10.193 1.00 22.24 H new ATOM 1279 N GLU A 80 10.696 0.771 -5.415 1.00 41.12 N ATOM 1280 CA GLU A 80 10.933 0.432 -4.004 1.00 74.10 C ATOM 1281 C GLU A 80 9.936 -0.656 -3.550 1.00 62.51 C ATOM 1282 O GLU A 80 8.752 -0.357 -3.380 1.00 61.11 O ATOM 1283 CB GLU A 80 10.792 1.675 -3.090 1.00 25.25 C ATOM 1284 CG GLU A 80 11.030 1.383 -1.596 1.00 42.55 C ATOM 1285 CD GLU A 80 10.668 2.550 -0.678 1.00 14.32 C ATOM 1286 OE1 GLU A 80 11.492 3.485 -0.530 1.00 33.41 O ATOM 1287 OE2 GLU A 80 9.561 2.548 -0.100 1.00 23.12 O ATOM 0 H GLU A 80 9.730 0.629 -5.709 1.00 41.12 H new ATOM 0 HA GLU A 80 11.954 0.059 -3.918 1.00 74.10 H new ATOM 0 HB2 GLU A 80 11.499 2.437 -3.418 1.00 25.25 H new ATOM 0 HB3 GLU A 80 9.793 2.093 -3.214 1.00 25.25 H new ATOM 0 HG2 GLU A 80 10.445 0.510 -1.308 1.00 42.55 H new ATOM 0 HG3 GLU A 80 12.079 1.127 -1.447 1.00 42.55 H new ATOM 1294 N PRO A 81 10.382 -1.941 -3.381 1.00 21.25 N ATOM 1295 CA PRO A 81 9.544 -2.997 -2.764 1.00 25.03 C ATOM 1296 C PRO A 81 9.538 -2.926 -1.220 1.00 74.21 C ATOM 1297 O PRO A 81 8.760 -3.623 -0.573 1.00 34.21 O ATOM 1298 CB PRO A 81 10.218 -4.293 -3.255 1.00 43.44 C ATOM 1299 CG PRO A 81 11.669 -3.939 -3.385 1.00 42.45 C ATOM 1300 CD PRO A 81 11.713 -2.475 -3.792 1.00 0.24 C ATOM 0 HA PRO A 81 8.494 -2.910 -3.042 1.00 25.03 H new ATOM 0 HB2 PRO A 81 10.071 -5.109 -2.547 1.00 43.44 H new ATOM 0 HB3 PRO A 81 9.803 -4.619 -4.208 1.00 43.44 H new ATOM 0 HG2 PRO A 81 12.194 -4.097 -2.443 1.00 42.45 H new ATOM 0 HG3 PRO A 81 12.157 -4.566 -4.131 1.00 42.45 H new ATOM 0 HD2 PRO A 81 12.525 -1.947 -3.293 1.00 0.24 H new ATOM 0 HD3 PRO A 81 11.873 -2.364 -4.865 1.00 0.24 H new ATOM 1308 N THR A 82 10.407 -2.072 -0.644 1.00 62.44 N ATOM 1309 CA THR A 82 10.615 -2.005 0.809 1.00 23.40 C ATOM 1310 C THR A 82 9.601 -1.075 1.518 1.00 14.30 C ATOM 1311 O THR A 82 9.826 -0.672 2.671 1.00 32.31 O ATOM 1312 CB THR A 82 12.089 -1.588 1.137 1.00 73.11 C ATOM 1313 OG1 THR A 82 12.376 -0.297 0.596 1.00 35.34 O ATOM 1314 CG2 THR A 82 13.109 -2.603 0.579 1.00 21.23 C ATOM 0 H THR A 82 10.980 -1.414 -1.173 1.00 62.44 H new ATOM 0 HA THR A 82 10.439 -3.007 1.201 1.00 23.40 H new ATOM 0 HB THR A 82 12.180 -1.565 2.223 1.00 73.11 H new ATOM 0 HG1 THR A 82 13.300 -0.050 0.811 1.00 35.34 H new ATOM 0 HG21 THR A 82 14.119 -2.278 0.828 1.00 21.23 H new ATOM 0 HG22 THR A 82 12.925 -3.583 1.019 1.00 21.23 H new ATOM 0 HG23 THR A 82 13.004 -2.666 -0.504 1.00 21.23 H new ATOM 1322 N PHE A 83 8.488 -0.748 0.834 1.00 24.44 N ATOM 1323 CA PHE A 83 7.358 -0.036 1.453 1.00 53.34 C ATOM 1324 C PHE A 83 6.587 -1.009 2.375 1.00 51.21 C ATOM 1325 O PHE A 83 6.129 -2.067 1.937 1.00 44.23 O ATOM 1326 CB PHE A 83 6.430 0.596 0.364 1.00 61.14 C ATOM 1327 CG PHE A 83 5.678 -0.397 -0.536 1.00 71.10 C ATOM 1328 CD1 PHE A 83 6.285 -0.964 -1.653 1.00 20.44 C ATOM 1329 CD2 PHE A 83 4.349 -0.752 -0.267 1.00 74.24 C ATOM 1330 CE1 PHE A 83 5.602 -1.845 -2.473 1.00 11.23 C ATOM 1331 CE2 PHE A 83 3.666 -1.633 -1.085 1.00 42.32 C ATOM 1332 CZ PHE A 83 4.293 -2.177 -2.187 1.00 62.23 C ATOM 0 H PHE A 83 8.349 -0.968 -0.152 1.00 24.44 H new ATOM 0 HA PHE A 83 7.735 0.788 2.058 1.00 53.34 H new ATOM 0 HB2 PHE A 83 5.698 1.231 0.863 1.00 61.14 H new ATOM 0 HB3 PHE A 83 7.035 1.244 -0.270 1.00 61.14 H new ATOM 0 HD1 PHE A 83 7.309 -0.711 -1.884 1.00 20.44 H new ATOM 0 HD2 PHE A 83 3.850 -0.330 0.593 1.00 74.24 H new ATOM 0 HE1 PHE A 83 6.092 -2.272 -3.335 1.00 11.23 H new ATOM 0 HE2 PHE A 83 2.642 -1.895 -0.861 1.00 42.32 H new ATOM 0 HZ PHE A 83 3.759 -2.864 -2.827 1.00 62.23 H new ATOM 1342 N ILE A 84 6.520 -0.681 3.669 1.00 43.52 N ATOM 1343 CA ILE A 84 5.816 -1.509 4.672 1.00 14.11 C ATOM 1344 C ILE A 84 4.340 -1.101 4.778 1.00 41.13 C ATOM 1345 O ILE A 84 3.441 -1.954 4.758 1.00 13.41 O ATOM 1346 CB ILE A 84 6.507 -1.394 6.075 1.00 55.33 C ATOM 1347 CG1 ILE A 84 8.009 -1.800 5.963 1.00 15.24 C ATOM 1348 CG2 ILE A 84 5.772 -2.247 7.137 1.00 44.33 C ATOM 1349 CD1 ILE A 84 8.798 -1.683 7.247 1.00 3.25 C ATOM 0 H ILE A 84 6.948 0.160 4.056 1.00 43.52 H new ATOM 0 HA ILE A 84 5.868 -2.547 4.342 1.00 14.11 H new ATOM 0 HB ILE A 84 6.451 -0.356 6.404 1.00 55.33 H new ATOM 0 HG12 ILE A 84 8.066 -2.830 5.611 1.00 15.24 H new ATOM 0 HG13 ILE A 84 8.483 -1.177 5.204 1.00 15.24 H new ATOM 0 HG21 ILE A 84 6.276 -2.145 8.098 1.00 44.33 H new ATOM 0 HG22 ILE A 84 4.742 -1.904 7.230 1.00 44.33 H new ATOM 0 HG23 ILE A 84 5.780 -3.293 6.832 1.00 44.33 H new ATOM 0 HD11 ILE A 84 9.830 -1.987 7.069 1.00 3.25 H new ATOM 0 HD12 ILE A 84 8.779 -0.650 7.593 1.00 3.25 H new ATOM 0 HD13 ILE A 84 8.356 -2.328 8.006 1.00 3.25 H new ATOM 1361 N LYS A 85 4.109 0.213 4.914 1.00 22.01 N ATOM 1362 CA LYS A 85 2.761 0.770 5.082 1.00 71.20 C ATOM 1363 C LYS A 85 2.053 0.817 3.713 1.00 20.33 C ATOM 1364 O LYS A 85 2.106 1.804 2.975 1.00 2.03 O ATOM 1365 CB LYS A 85 2.834 2.148 5.790 1.00 52.01 C ATOM 1366 CG LYS A 85 3.479 2.083 7.201 1.00 35.32 C ATOM 1367 CD LYS A 85 2.742 1.103 8.158 1.00 72.14 C ATOM 1368 CE LYS A 85 3.425 0.989 9.535 1.00 65.34 C ATOM 1369 NZ LYS A 85 2.706 0.048 10.441 1.00 3.20 N ATOM 0 H LYS A 85 4.848 0.916 4.911 1.00 22.01 H new ATOM 0 HA LYS A 85 2.161 0.130 5.729 1.00 71.20 H new ATOM 0 HB2 LYS A 85 3.406 2.838 5.169 1.00 52.01 H new ATOM 0 HB3 LYS A 85 1.827 2.557 5.877 1.00 52.01 H new ATOM 0 HG2 LYS A 85 4.520 1.775 7.105 1.00 35.32 H new ATOM 0 HG3 LYS A 85 3.480 3.080 7.641 1.00 35.32 H new ATOM 0 HD2 LYS A 85 1.714 1.439 8.294 1.00 72.14 H new ATOM 0 HD3 LYS A 85 2.697 0.116 7.697 1.00 72.14 H new ATOM 0 HE2 LYS A 85 4.453 0.650 9.403 1.00 65.34 H new ATOM 0 HE3 LYS A 85 3.471 1.974 9.999 1.00 65.34 H new ATOM 0 HZ1 LYS A 85 2.573 0.495 11.371 1.00 3.20 H new ATOM 0 HZ2 LYS A 85 1.778 -0.186 10.033 1.00 3.20 H new ATOM 0 HZ3 LYS A 85 3.265 -0.822 10.552 1.00 3.20 H new ATOM 1383 N GLY A 86 1.443 -0.329 3.397 1.00 65.53 N ATOM 1384 CA GLY A 86 0.819 -0.599 2.113 1.00 51.21 C ATOM 1385 C GLY A 86 0.722 -2.103 1.896 1.00 65.44 C ATOM 1386 O GLY A 86 -0.232 -2.579 1.284 1.00 52.43 O ATOM 0 H GLY A 86 1.372 -1.110 4.049 1.00 65.53 H new ATOM 0 HA2 GLY A 86 -0.175 -0.152 2.080 1.00 51.21 H new ATOM 0 HA3 GLY A 86 1.401 -0.143 1.312 1.00 51.21 H new ATOM 1390 N TYR A 87 1.726 -2.841 2.433 1.00 60.04 N ATOM 1391 CA TYR A 87 1.859 -4.305 2.306 1.00 52.42 C ATOM 1392 C TYR A 87 0.647 -5.063 2.889 1.00 32.02 C ATOM 1393 O TYR A 87 0.060 -5.884 2.194 1.00 45.54 O ATOM 1394 CB TYR A 87 3.201 -4.782 2.984 1.00 53.15 C ATOM 1395 CG TYR A 87 4.338 -5.148 2.012 1.00 22.41 C ATOM 1396 CD1 TYR A 87 4.505 -4.499 0.787 1.00 32.01 C ATOM 1397 CD2 TYR A 87 5.235 -6.159 2.321 1.00 32.52 C ATOM 1398 CE1 TYR A 87 5.527 -4.854 -0.079 1.00 3.31 C ATOM 1399 CE2 TYR A 87 6.250 -6.515 1.466 1.00 32.34 C ATOM 1400 CZ TYR A 87 6.397 -5.864 0.267 1.00 41.44 C ATOM 1401 OH TYR A 87 7.416 -6.231 -0.587 1.00 22.51 O ATOM 0 H TYR A 87 2.479 -2.421 2.977 1.00 60.04 H new ATOM 0 HA TYR A 87 1.888 -4.542 1.242 1.00 52.42 H new ATOM 0 HB2 TYR A 87 3.553 -3.993 3.648 1.00 53.15 H new ATOM 0 HB3 TYR A 87 2.985 -5.650 3.607 1.00 53.15 H new ATOM 0 HD1 TYR A 87 3.826 -3.706 0.510 1.00 32.01 H new ATOM 0 HD2 TYR A 87 5.133 -6.682 3.261 1.00 32.52 H new ATOM 0 HE1 TYR A 87 5.641 -4.340 -1.022 1.00 3.31 H new ATOM 0 HE2 TYR A 87 6.932 -7.307 1.738 1.00 32.34 H new ATOM 0 HH TYR A 87 8.023 -5.473 -0.716 1.00 22.51 H new ATOM 1411 N THR A 88 0.280 -4.769 4.151 1.00 13.13 N ATOM 1412 CA THR A 88 -0.812 -5.483 4.866 1.00 73.02 C ATOM 1413 C THR A 88 -2.167 -5.359 4.125 1.00 41.25 C ATOM 1414 O THR A 88 -2.946 -6.326 4.042 1.00 50.25 O ATOM 1415 CB THR A 88 -0.947 -4.938 6.326 1.00 41.34 C ATOM 1416 OG1 THR A 88 0.335 -5.007 6.961 1.00 74.20 O ATOM 1417 CG2 THR A 88 -1.980 -5.717 7.170 1.00 12.03 C ATOM 0 H THR A 88 0.724 -4.037 4.706 1.00 13.13 H new ATOM 0 HA THR A 88 -0.548 -6.540 4.896 1.00 73.02 H new ATOM 0 HB THR A 88 -1.304 -3.910 6.262 1.00 41.34 H new ATOM 0 HG1 THR A 88 0.708 -4.105 7.043 1.00 74.20 H new ATOM 0 HG21 THR A 88 -2.027 -5.291 8.172 1.00 12.03 H new ATOM 0 HG22 THR A 88 -2.961 -5.647 6.700 1.00 12.03 H new ATOM 0 HG23 THR A 88 -1.682 -6.764 7.235 1.00 12.03 H new ATOM 1425 N ARG A 89 -2.414 -4.168 3.562 1.00 43.42 N ATOM 1426 CA ARG A 89 -3.644 -3.865 2.803 1.00 20.14 C ATOM 1427 C ARG A 89 -3.605 -4.510 1.401 1.00 3.42 C ATOM 1428 O ARG A 89 -4.644 -4.812 0.816 1.00 63.31 O ATOM 1429 CB ARG A 89 -3.817 -2.334 2.684 1.00 5.10 C ATOM 1430 CG ARG A 89 -3.842 -1.600 4.041 1.00 21.24 C ATOM 1431 CD ARG A 89 -4.168 -0.110 3.887 1.00 61.34 C ATOM 1432 NE ARG A 89 -4.204 0.603 5.172 1.00 15.13 N ATOM 1433 CZ ARG A 89 -5.307 0.768 5.928 1.00 32.22 C ATOM 1434 NH1 ARG A 89 -6.474 0.267 5.554 1.00 4.41 N ATOM 1435 NH2 ARG A 89 -5.211 1.462 7.044 1.00 5.15 N ATOM 0 H ARG A 89 -1.766 -3.382 3.618 1.00 43.42 H new ATOM 0 HA ARG A 89 -4.495 -4.284 3.340 1.00 20.14 H new ATOM 0 HB2 ARG A 89 -3.004 -1.932 2.080 1.00 5.10 H new ATOM 0 HB3 ARG A 89 -4.744 -2.123 2.151 1.00 5.10 H new ATOM 0 HG2 ARG A 89 -4.582 -2.067 4.691 1.00 21.24 H new ATOM 0 HG3 ARG A 89 -2.874 -1.710 4.530 1.00 21.24 H new ATOM 0 HD2 ARG A 89 -3.424 0.355 3.240 1.00 61.34 H new ATOM 0 HD3 ARG A 89 -5.133 -0.004 3.391 1.00 61.34 H new ATOM 0 HE ARG A 89 -3.331 1.002 5.516 1.00 15.13 H new ATOM 0 HH11 ARG A 89 -6.549 -0.254 4.680 1.00 4.41 H new ATOM 0 HH12 ARG A 89 -7.298 0.402 6.140 1.00 4.41 H new ATOM 0 HH21 ARG A 89 -4.314 1.862 7.320 1.00 5.15 H new ATOM 0 HH22 ARG A 89 -6.033 1.599 7.632 1.00 5.15 H new ATOM 1449 N LYS A 90 -2.390 -4.700 0.885 1.00 74.03 N ATOM 1450 CA LYS A 90 -2.131 -5.294 -0.430 1.00 23.32 C ATOM 1451 C LYS A 90 -2.186 -6.838 -0.354 1.00 23.31 C ATOM 1452 O LYS A 90 -2.486 -7.510 -1.345 1.00 71.41 O ATOM 1453 CB LYS A 90 -0.762 -4.763 -0.880 1.00 52.02 C ATOM 1454 CG LYS A 90 -0.322 -5.087 -2.315 1.00 42.33 C ATOM 1455 CD LYS A 90 0.775 -4.100 -2.775 1.00 33.34 C ATOM 1456 CE LYS A 90 0.201 -2.711 -3.130 1.00 21.33 C ATOM 1457 NZ LYS A 90 1.261 -1.746 -3.525 1.00 62.12 N ATOM 0 H LYS A 90 -1.537 -4.439 1.381 1.00 74.03 H new ATOM 0 HA LYS A 90 -2.891 -5.017 -1.161 1.00 23.32 H new ATOM 0 HB2 LYS A 90 -0.765 -3.679 -0.764 1.00 52.02 H new ATOM 0 HB3 LYS A 90 -0.007 -5.154 -0.198 1.00 52.02 H new ATOM 0 HG2 LYS A 90 0.054 -6.109 -2.365 1.00 42.33 H new ATOM 0 HG3 LYS A 90 -1.178 -5.029 -2.987 1.00 42.33 H new ATOM 0 HD2 LYS A 90 1.519 -3.993 -1.985 1.00 33.34 H new ATOM 0 HD3 LYS A 90 1.290 -4.511 -3.644 1.00 33.34 H new ATOM 0 HE2 LYS A 90 -0.515 -2.814 -3.945 1.00 21.33 H new ATOM 0 HE3 LYS A 90 -0.345 -2.316 -2.273 1.00 21.33 H new ATOM 0 HZ1 LYS A 90 0.881 -1.081 -4.229 1.00 62.12 H new ATOM 0 HZ2 LYS A 90 1.580 -1.218 -2.687 1.00 62.12 H new ATOM 0 HZ3 LYS A 90 2.065 -2.262 -3.936 1.00 62.12 H new ATOM 1471 N ALA A 91 -1.926 -7.381 0.850 1.00 61.11 N ATOM 1472 CA ALA A 91 -2.161 -8.801 1.163 1.00 11.10 C ATOM 1473 C ALA A 91 -3.680 -9.058 1.229 1.00 64.55 C ATOM 1474 O ALA A 91 -4.161 -10.117 0.823 1.00 30.54 O ATOM 1475 CB ALA A 91 -1.480 -9.177 2.490 1.00 43.35 C ATOM 0 H ALA A 91 -1.547 -6.847 1.632 1.00 61.11 H new ATOM 0 HA ALA A 91 -1.729 -9.425 0.381 1.00 11.10 H new ATOM 0 HB1 ALA A 91 -1.663 -10.229 2.707 1.00 43.35 H new ATOM 0 HB2 ALA A 91 -0.407 -9.004 2.410 1.00 43.35 H new ATOM 0 HB3 ALA A 91 -1.887 -8.564 3.294 1.00 43.35 H new ATOM 1481 N ALA A 92 -4.414 -8.042 1.735 1.00 4.42 N ATOM 1482 CA ALA A 92 -5.891 -8.022 1.757 1.00 34.52 C ATOM 1483 C ALA A 92 -6.461 -7.841 0.335 1.00 11.31 C ATOM 1484 O ALA A 92 -7.589 -8.258 0.057 1.00 63.24 O ATOM 1485 CB ALA A 92 -6.383 -6.906 2.693 1.00 71.24 C ATOM 0 H ALA A 92 -3.993 -7.207 2.142 1.00 4.42 H new ATOM 0 HA ALA A 92 -6.249 -8.979 2.135 1.00 34.52 H new ATOM 0 HB1 ALA A 92 -7.473 -6.896 2.705 1.00 71.24 H new ATOM 0 HB2 ALA A 92 -6.010 -7.086 3.701 1.00 71.24 H new ATOM 0 HB3 ALA A 92 -6.015 -5.944 2.337 1.00 71.24 H new ATOM 1491 N ALA A 93 -5.671 -7.209 -0.554 1.00 52.13 N ATOM 1492 CA ALA A 93 -5.995 -7.128 -1.989 1.00 54.24 C ATOM 1493 C ALA A 93 -5.906 -8.518 -2.615 1.00 4.43 C ATOM 1494 O ALA A 93 -6.852 -8.983 -3.257 1.00 35.24 O ATOM 1495 CB ALA A 93 -5.069 -6.130 -2.711 1.00 12.14 C ATOM 0 H ALA A 93 -4.799 -6.745 -0.300 1.00 52.13 H new ATOM 0 HA ALA A 93 -7.015 -6.760 -2.100 1.00 54.24 H new ATOM 0 HB1 ALA A 93 -5.331 -6.090 -3.768 1.00 12.14 H new ATOM 0 HB2 ALA A 93 -5.187 -5.140 -2.271 1.00 12.14 H new ATOM 0 HB3 ALA A 93 -4.033 -6.453 -2.605 1.00 12.14 H new ATOM 1501 N LEU A 94 -4.774 -9.192 -2.358 1.00 23.13 N ATOM 1502 CA LEU A 94 -4.530 -10.562 -2.832 1.00 25.14 C ATOM 1503 C LEU A 94 -5.562 -11.555 -2.271 1.00 11.41 C ATOM 1504 O LEU A 94 -5.962 -12.477 -2.973 1.00 32.23 O ATOM 1505 CB LEU A 94 -3.080 -10.978 -2.496 1.00 21.24 C ATOM 1506 CG LEU A 94 -1.999 -10.145 -3.252 1.00 63.14 C ATOM 1507 CD1 LEU A 94 -0.579 -10.469 -2.771 1.00 71.54 C ATOM 1508 CD2 LEU A 94 -2.132 -10.330 -4.777 1.00 63.13 C ATOM 0 H LEU A 94 -4.003 -8.802 -1.816 1.00 23.13 H new ATOM 0 HA LEU A 94 -4.651 -10.583 -3.915 1.00 25.14 H new ATOM 0 HB2 LEU A 94 -2.921 -10.875 -1.423 1.00 21.24 H new ATOM 0 HB3 LEU A 94 -2.948 -12.033 -2.738 1.00 21.24 H new ATOM 0 HG LEU A 94 -2.177 -9.095 -3.020 1.00 63.14 H new ATOM 0 HD11 LEU A 94 0.140 -9.865 -3.325 1.00 71.54 H new ATOM 0 HD12 LEU A 94 -0.496 -10.246 -1.707 1.00 71.54 H new ATOM 0 HD13 LEU A 94 -0.371 -11.526 -2.938 1.00 71.54 H new ATOM 0 HD21 LEU A 94 -1.368 -9.740 -5.283 1.00 63.13 H new ATOM 0 HD22 LEU A 94 -2.003 -11.383 -5.028 1.00 63.13 H new ATOM 0 HD23 LEU A 94 -3.119 -9.998 -5.099 1.00 63.13 H new ATOM 1520 N GLU A 95 -6.027 -11.312 -1.035 1.00 42.30 N ATOM 1521 CA GLU A 95 -7.147 -12.060 -0.421 1.00 21.34 C ATOM 1522 C GLU A 95 -8.403 -12.016 -1.325 1.00 32.41 C ATOM 1523 O GLU A 95 -9.099 -13.032 -1.493 1.00 10.31 O ATOM 1524 CB GLU A 95 -7.488 -11.459 0.964 1.00 11.33 C ATOM 1525 CG GLU A 95 -8.691 -12.125 1.683 1.00 64.10 C ATOM 1526 CD GLU A 95 -9.366 -11.187 2.690 1.00 34.01 C ATOM 1527 OE1 GLU A 95 -10.297 -10.458 2.291 1.00 11.21 O ATOM 1528 OE2 GLU A 95 -8.963 -11.152 3.864 1.00 15.51 O ATOM 0 H GLU A 95 -5.639 -10.590 -0.428 1.00 42.30 H new ATOM 0 HA GLU A 95 -6.837 -13.099 -0.304 1.00 21.34 H new ATOM 0 HB2 GLU A 95 -6.610 -11.538 1.605 1.00 11.33 H new ATOM 0 HB3 GLU A 95 -7.698 -10.397 0.842 1.00 11.33 H new ATOM 0 HG2 GLU A 95 -9.423 -12.443 0.941 1.00 64.10 H new ATOM 0 HG3 GLU A 95 -8.350 -13.022 2.199 1.00 64.10 H new ATOM 1535 N ALA A 96 -8.644 -10.839 -1.948 1.00 4.53 N ATOM 1536 CA ALA A 96 -9.791 -10.624 -2.847 1.00 1.42 C ATOM 1537 C ALA A 96 -9.577 -11.374 -4.176 1.00 25.32 C ATOM 1538 O ALA A 96 -10.533 -11.716 -4.866 1.00 63.10 O ATOM 1539 CB ALA A 96 -10.010 -9.117 -3.097 1.00 22.52 C ATOM 0 H ALA A 96 -8.049 -10.018 -1.839 1.00 4.53 H new ATOM 0 HA ALA A 96 -10.686 -11.021 -2.369 1.00 1.42 H new ATOM 0 HB1 ALA A 96 -10.861 -8.979 -3.763 1.00 22.52 H new ATOM 0 HB2 ALA A 96 -10.206 -8.616 -2.149 1.00 22.52 H new ATOM 0 HB3 ALA A 96 -9.118 -8.691 -3.555 1.00 22.52 H new ATOM 1545 N MET A 97 -8.296 -11.652 -4.499 1.00 61.44 N ATOM 1546 CA MET A 97 -7.893 -12.358 -5.730 1.00 33.01 C ATOM 1547 C MET A 97 -7.758 -13.866 -5.453 1.00 1.45 C ATOM 1548 O MET A 97 -7.355 -14.625 -6.333 1.00 3.30 O ATOM 1549 CB MET A 97 -6.545 -11.779 -6.241 1.00 13.14 C ATOM 1550 CG MET A 97 -6.557 -10.259 -6.374 1.00 53.21 C ATOM 1551 SD MET A 97 -7.870 -9.686 -7.469 1.00 61.24 S ATOM 1552 CE MET A 97 -8.058 -7.988 -6.943 1.00 71.32 C ATOM 0 H MET A 97 -7.508 -11.390 -3.907 1.00 61.44 H new ATOM 0 HA MET A 97 -8.655 -12.214 -6.496 1.00 33.01 H new ATOM 0 HB2 MET A 97 -5.748 -12.071 -5.557 1.00 13.14 H new ATOM 0 HB3 MET A 97 -6.311 -12.220 -7.210 1.00 13.14 H new ATOM 0 HG2 MET A 97 -6.685 -9.810 -5.389 1.00 53.21 H new ATOM 0 HG3 MET A 97 -5.594 -9.921 -6.756 1.00 53.21 H new ATOM 0 HE1 MET A 97 -9.112 -7.711 -6.978 1.00 71.32 H new ATOM 0 HE2 MET A 97 -7.688 -7.880 -5.923 1.00 71.32 H new ATOM 0 HE3 MET A 97 -7.489 -7.337 -7.606 1.00 71.32 H new ATOM 1562 N LYS A 98 -8.092 -14.271 -4.196 1.00 34.33 N ATOM 1563 CA LYS A 98 -8.006 -15.663 -3.688 1.00 51.20 C ATOM 1564 C LYS A 98 -6.535 -16.133 -3.605 1.00 54.42 C ATOM 1565 O LYS A 98 -6.259 -17.317 -3.399 1.00 52.03 O ATOM 1566 CB LYS A 98 -8.886 -16.638 -4.539 1.00 64.34 C ATOM 1567 CG LYS A 98 -10.325 -16.129 -4.832 1.00 34.14 C ATOM 1568 CD LYS A 98 -11.185 -15.863 -3.565 1.00 73.53 C ATOM 1569 CE LYS A 98 -11.937 -17.111 -3.053 1.00 11.43 C ATOM 1570 NZ LYS A 98 -11.039 -18.232 -2.666 1.00 73.33 N ATOM 0 H LYS A 98 -8.437 -13.618 -3.492 1.00 34.33 H new ATOM 0 HA LYS A 98 -8.409 -15.676 -2.675 1.00 51.20 H new ATOM 0 HB2 LYS A 98 -8.382 -16.826 -5.487 1.00 64.34 H new ATOM 0 HB3 LYS A 98 -8.953 -17.593 -4.018 1.00 64.34 H new ATOM 0 HG2 LYS A 98 -10.260 -15.208 -5.411 1.00 34.14 H new ATOM 0 HG3 LYS A 98 -10.836 -16.863 -5.455 1.00 34.14 H new ATOM 0 HD2 LYS A 98 -10.540 -15.487 -2.771 1.00 73.53 H new ATOM 0 HD3 LYS A 98 -11.909 -15.079 -3.786 1.00 73.53 H new ATOM 0 HE2 LYS A 98 -12.545 -16.831 -2.193 1.00 11.43 H new ATOM 0 HE3 LYS A 98 -12.621 -17.456 -3.828 1.00 11.43 H new ATOM 0 HZ1 LYS A 98 -11.605 -19.009 -2.269 1.00 73.33 H new ATOM 0 HZ2 LYS A 98 -10.525 -18.571 -3.504 1.00 73.33 H new ATOM 0 HZ3 LYS A 98 -10.358 -17.901 -1.953 1.00 73.33 H new ATOM 1584 N ASP A 99 -5.600 -15.168 -3.720 1.00 25.34 N ATOM 1585 CA ASP A 99 -4.151 -15.405 -3.673 1.00 62.31 C ATOM 1586 C ASP A 99 -3.646 -15.313 -2.235 1.00 12.30 C ATOM 1587 O ASP A 99 -2.717 -14.560 -1.937 1.00 11.45 O ATOM 1588 CB ASP A 99 -3.401 -14.373 -4.572 1.00 32.01 C ATOM 1589 CG ASP A 99 -3.692 -14.498 -6.066 1.00 21.32 C ATOM 1590 OD1 ASP A 99 -3.884 -15.628 -6.559 1.00 62.11 O ATOM 1591 OD2 ASP A 99 -3.689 -13.464 -6.770 1.00 62.14 O ATOM 0 H ASP A 99 -5.840 -14.185 -3.850 1.00 25.34 H new ATOM 0 HA ASP A 99 -3.952 -16.407 -4.052 1.00 62.31 H new ATOM 0 HB2 ASP A 99 -3.667 -13.367 -4.247 1.00 32.01 H new ATOM 0 HB3 ASP A 99 -2.328 -14.486 -4.414 1.00 32.01 H new ATOM 1596 N TYR A 100 -4.267 -16.104 -1.344 1.00 72.33 N ATOM 1597 CA TYR A 100 -3.858 -16.229 0.070 1.00 11.13 C ATOM 1598 C TYR A 100 -2.380 -16.639 0.175 1.00 34.44 C ATOM 1599 O TYR A 100 -1.641 -16.186 1.064 1.00 34.41 O ATOM 1600 CB TYR A 100 -4.740 -17.282 0.773 1.00 13.30 C ATOM 1601 CG TYR A 100 -6.242 -17.124 0.497 1.00 11.31 C ATOM 1602 CD1 TYR A 100 -6.895 -15.913 0.720 1.00 42.15 C ATOM 1603 CD2 TYR A 100 -7.000 -18.185 -0.008 1.00 21.01 C ATOM 1604 CE1 TYR A 100 -8.242 -15.770 0.454 1.00 10.04 C ATOM 1605 CE2 TYR A 100 -8.341 -18.042 -0.273 1.00 53.34 C ATOM 1606 CZ TYR A 100 -8.957 -16.836 -0.039 1.00 62.14 C ATOM 1607 OH TYR A 100 -10.295 -16.699 -0.307 1.00 62.44 O ATOM 0 H TYR A 100 -5.074 -16.680 -1.584 1.00 72.33 H new ATOM 0 HA TYR A 100 -3.984 -15.261 0.555 1.00 11.13 H new ATOM 0 HB2 TYR A 100 -4.425 -18.276 0.454 1.00 13.30 H new ATOM 0 HB3 TYR A 100 -4.571 -17.223 1.848 1.00 13.30 H new ATOM 0 HD1 TYR A 100 -6.338 -15.073 1.107 1.00 42.15 H new ATOM 0 HD2 TYR A 100 -6.522 -19.136 -0.193 1.00 21.01 H new ATOM 0 HE1 TYR A 100 -8.732 -14.824 0.632 1.00 10.04 H new ATOM 0 HE2 TYR A 100 -8.908 -18.874 -0.664 1.00 53.34 H new ATOM 0 HH TYR A 100 -10.485 -15.771 -0.560 1.00 62.44 H new ATOM 1617 N THR A 101 -1.984 -17.482 -0.793 1.00 33.43 N ATOM 1618 CA THR A 101 -0.617 -17.946 -0.976 1.00 2.53 C ATOM 1619 C THR A 101 0.341 -16.772 -1.231 1.00 42.44 C ATOM 1620 O THR A 101 1.444 -16.760 -0.719 1.00 55.43 O ATOM 1621 CB THR A 101 -0.543 -18.946 -2.172 1.00 43.32 C ATOM 1622 OG1 THR A 101 -1.038 -18.310 -3.367 1.00 73.32 O ATOM 1623 CG2 THR A 101 -1.363 -20.216 -1.892 1.00 61.10 C ATOM 0 H THR A 101 -2.630 -17.864 -1.483 1.00 33.43 H new ATOM 0 HA THR A 101 -0.312 -18.449 -0.059 1.00 2.53 H new ATOM 0 HB THR A 101 0.499 -19.235 -2.307 1.00 43.32 H new ATOM 0 HG1 THR A 101 -0.989 -18.939 -4.117 1.00 73.32 H new ATOM 0 HG21 THR A 101 -1.290 -20.891 -2.744 1.00 61.10 H new ATOM 0 HG22 THR A 101 -0.974 -20.711 -1.002 1.00 61.10 H new ATOM 0 HG23 THR A 101 -2.407 -19.947 -1.730 1.00 61.10 H new ATOM 1631 N LYS A 102 -0.105 -15.771 -2.005 1.00 3.13 N ATOM 1632 CA LYS A 102 0.732 -14.606 -2.347 1.00 0.05 C ATOM 1633 C LYS A 102 0.615 -13.528 -1.276 1.00 23.21 C ATOM 1634 O LYS A 102 1.503 -12.688 -1.150 1.00 43.11 O ATOM 1635 CB LYS A 102 0.365 -14.059 -3.750 1.00 64.40 C ATOM 1636 CG LYS A 102 0.645 -15.024 -4.931 1.00 11.11 C ATOM 1637 CD LYS A 102 2.158 -15.371 -5.119 1.00 60.32 C ATOM 1638 CE LYS A 102 2.614 -16.637 -4.360 1.00 44.55 C ATOM 1639 NZ LYS A 102 4.091 -16.841 -4.426 1.00 23.34 N ATOM 0 H LYS A 102 -1.042 -15.743 -2.408 1.00 3.13 H new ATOM 0 HA LYS A 102 1.774 -14.925 -2.382 1.00 0.05 H new ATOM 0 HB2 LYS A 102 -0.694 -13.802 -3.756 1.00 64.40 H new ATOM 0 HB3 LYS A 102 0.919 -13.135 -3.918 1.00 64.40 H new ATOM 0 HG2 LYS A 102 0.087 -15.947 -4.773 1.00 11.11 H new ATOM 0 HG3 LYS A 102 0.268 -14.577 -5.851 1.00 11.11 H new ATOM 0 HD2 LYS A 102 2.360 -15.505 -6.182 1.00 60.32 H new ATOM 0 HD3 LYS A 102 2.758 -14.524 -4.785 1.00 60.32 H new ATOM 0 HE2 LYS A 102 2.307 -16.562 -3.317 1.00 44.55 H new ATOM 0 HE3 LYS A 102 2.111 -17.509 -4.778 1.00 44.55 H new ATOM 0 HZ1 LYS A 102 4.318 -17.822 -4.165 1.00 23.34 H new ATOM 0 HZ2 LYS A 102 4.424 -16.654 -5.393 1.00 23.34 H new ATOM 0 HZ3 LYS A 102 4.561 -16.189 -3.766 1.00 23.34 H new ATOM 1653 N ALA A 103 -0.487 -13.570 -0.515 1.00 3.22 N ATOM 1654 CA ALA A 103 -0.706 -12.678 0.619 1.00 1.24 C ATOM 1655 C ALA A 103 0.308 -12.996 1.725 1.00 33.54 C ATOM 1656 O ALA A 103 0.946 -12.099 2.267 1.00 12.13 O ATOM 1657 CB ALA A 103 -2.149 -12.805 1.123 1.00 13.55 C ATOM 0 H ALA A 103 -1.251 -14.227 -0.674 1.00 3.22 H new ATOM 0 HA ALA A 103 -0.557 -11.644 0.306 1.00 1.24 H new ATOM 0 HB1 ALA A 103 -2.299 -12.134 1.969 1.00 13.55 H new ATOM 0 HB2 ALA A 103 -2.839 -12.539 0.322 1.00 13.55 H new ATOM 0 HB3 ALA A 103 -2.336 -13.832 1.437 1.00 13.55 H new ATOM 1663 N MET A 104 0.498 -14.300 1.999 1.00 3.53 N ATOM 1664 CA MET A 104 1.468 -14.775 3.010 1.00 4.22 C ATOM 1665 C MET A 104 2.929 -14.563 2.552 1.00 41.44 C ATOM 1666 O MET A 104 3.836 -14.505 3.387 1.00 63.44 O ATOM 1667 CB MET A 104 1.201 -16.251 3.386 1.00 34.44 C ATOM 1668 CG MET A 104 1.494 -17.280 2.305 1.00 60.53 C ATOM 1669 SD MET A 104 0.983 -18.945 2.772 1.00 11.32 S ATOM 1670 CE MET A 104 -0.756 -18.702 3.134 1.00 34.42 C ATOM 0 H MET A 104 -0.011 -15.050 1.532 1.00 3.53 H new ATOM 0 HA MET A 104 1.326 -14.171 3.906 1.00 4.22 H new ATOM 0 HB2 MET A 104 1.800 -16.495 4.264 1.00 34.44 H new ATOM 0 HB3 MET A 104 0.155 -16.347 3.677 1.00 34.44 H new ATOM 0 HG2 MET A 104 0.983 -16.992 1.387 1.00 60.53 H new ATOM 0 HG3 MET A 104 2.562 -17.280 2.089 1.00 60.53 H new ATOM 0 HE1 MET A 104 -1.192 -19.642 3.471 1.00 34.42 H new ATOM 0 HE2 MET A 104 -0.863 -17.951 3.917 1.00 34.42 H new ATOM 0 HE3 MET A 104 -1.271 -18.364 2.235 1.00 34.42 H new ATOM 1680 N ASP A 105 3.140 -14.463 1.219 1.00 54.11 N ATOM 1681 CA ASP A 105 4.426 -13.987 0.652 1.00 15.21 C ATOM 1682 C ASP A 105 4.648 -12.510 1.031 1.00 15.00 C ATOM 1683 O ASP A 105 5.772 -12.116 1.322 1.00 71.42 O ATOM 1684 CB ASP A 105 4.477 -14.150 -0.903 1.00 24.34 C ATOM 1685 CG ASP A 105 4.802 -15.576 -1.380 1.00 30.01 C ATOM 1686 OD1 ASP A 105 4.151 -16.529 -0.935 1.00 64.40 O ATOM 1687 OD2 ASP A 105 5.698 -15.746 -2.239 1.00 52.52 O ATOM 0 H ASP A 105 2.440 -14.704 0.517 1.00 54.11 H new ATOM 0 HA ASP A 105 5.221 -14.602 1.074 1.00 15.21 H new ATOM 0 HB2 ASP A 105 3.515 -13.850 -1.320 1.00 24.34 H new ATOM 0 HB3 ASP A 105 5.225 -13.466 -1.304 1.00 24.34 H new ATOM 1692 N VAL A 106 3.552 -11.718 1.064 1.00 25.22 N ATOM 1693 CA VAL A 106 3.611 -10.282 1.385 1.00 41.12 C ATOM 1694 C VAL A 106 3.827 -10.099 2.902 1.00 34.12 C ATOM 1695 O VAL A 106 4.522 -9.187 3.328 1.00 3.31 O ATOM 1696 CB VAL A 106 2.306 -9.542 0.894 1.00 12.42 C ATOM 1697 CG1 VAL A 106 2.242 -8.082 1.377 1.00 44.54 C ATOM 1698 CG2 VAL A 106 2.198 -9.603 -0.649 1.00 23.12 C ATOM 0 H VAL A 106 2.610 -12.058 0.870 1.00 25.22 H new ATOM 0 HA VAL A 106 4.453 -9.833 0.859 1.00 41.12 H new ATOM 0 HB VAL A 106 1.457 -10.064 1.335 1.00 12.42 H new ATOM 0 HG11 VAL A 106 1.326 -7.618 1.012 1.00 44.54 H new ATOM 0 HG12 VAL A 106 2.252 -8.058 2.467 1.00 44.54 H new ATOM 0 HG13 VAL A 106 3.103 -7.534 0.994 1.00 44.54 H new ATOM 0 HG21 VAL A 106 1.293 -9.088 -0.971 1.00 23.12 H new ATOM 0 HG22 VAL A 106 3.068 -9.120 -1.094 1.00 23.12 H new ATOM 0 HG23 VAL A 106 2.157 -10.644 -0.970 1.00 23.12 H new ATOM 1708 N TYR A 107 3.239 -11.020 3.688 1.00 53.13 N ATOM 1709 CA TYR A 107 3.434 -11.122 5.152 1.00 24.45 C ATOM 1710 C TYR A 107 4.920 -11.374 5.489 1.00 3.30 C ATOM 1711 O TYR A 107 5.514 -10.664 6.322 1.00 72.14 O ATOM 1712 CB TYR A 107 2.516 -12.271 5.700 1.00 25.41 C ATOM 1713 CG TYR A 107 3.053 -13.049 6.918 1.00 73.05 C ATOM 1714 CD1 TYR A 107 2.970 -12.533 8.209 1.00 20.03 C ATOM 1715 CD2 TYR A 107 3.629 -14.320 6.767 1.00 3.14 C ATOM 1716 CE1 TYR A 107 3.438 -13.244 9.292 1.00 30.24 C ATOM 1717 CE2 TYR A 107 4.094 -15.030 7.854 1.00 5.44 C ATOM 1718 CZ TYR A 107 3.998 -14.485 9.114 1.00 60.12 C ATOM 1719 OH TYR A 107 4.454 -15.190 10.208 1.00 12.00 O ATOM 0 H TYR A 107 2.603 -11.728 3.320 1.00 53.13 H new ATOM 0 HA TYR A 107 3.155 -10.183 5.631 1.00 24.45 H new ATOM 0 HB2 TYR A 107 1.551 -11.841 5.967 1.00 25.41 H new ATOM 0 HB3 TYR A 107 2.336 -12.981 4.892 1.00 25.41 H new ATOM 0 HD1 TYR A 107 2.531 -11.558 8.364 1.00 20.03 H new ATOM 0 HD2 TYR A 107 3.710 -14.751 5.780 1.00 3.14 H new ATOM 0 HE1 TYR A 107 3.364 -12.824 10.284 1.00 30.24 H new ATOM 0 HE2 TYR A 107 4.531 -16.008 7.717 1.00 5.44 H new ATOM 0 HH TYR A 107 4.821 -16.050 9.913 1.00 12.00 H new ATOM 1729 N GLN A 108 5.489 -12.402 4.825 1.00 13.32 N ATOM 1730 CA GLN A 108 6.867 -12.858 5.048 1.00 53.25 C ATOM 1731 C GLN A 108 7.825 -11.707 4.715 1.00 41.11 C ATOM 1732 O GLN A 108 8.661 -11.320 5.540 1.00 44.24 O ATOM 1733 CB GLN A 108 7.151 -14.121 4.169 1.00 24.41 C ATOM 1734 CG GLN A 108 8.365 -14.990 4.593 1.00 72.44 C ATOM 1735 CD GLN A 108 9.732 -14.388 4.249 1.00 55.31 C ATOM 1736 OE1 GLN A 108 10.276 -14.624 3.171 1.00 75.51 O ATOM 1737 NE2 GLN A 108 10.264 -13.572 5.140 1.00 51.53 N ATOM 0 H GLN A 108 4.995 -12.941 4.113 1.00 13.32 H new ATOM 0 HA GLN A 108 7.015 -13.142 6.090 1.00 53.25 H new ATOM 0 HB2 GLN A 108 6.261 -14.750 4.174 1.00 24.41 H new ATOM 0 HB3 GLN A 108 7.305 -13.795 3.140 1.00 24.41 H new ATOM 0 HG2 GLN A 108 8.317 -15.158 5.669 1.00 72.44 H new ATOM 0 HG3 GLN A 108 8.282 -15.966 4.114 1.00 72.44 H new ATOM 0 HE21 GLN A 108 9.785 -13.400 6.024 1.00 51.53 H new ATOM 0 HE22 GLN A 108 11.154 -13.114 4.945 1.00 51.53 H new ATOM 1746 N LYS A 109 7.652 -11.155 3.501 1.00 3.45 N ATOM 1747 CA LYS A 109 8.409 -10.002 3.020 1.00 32.12 C ATOM 1748 C LYS A 109 8.248 -8.780 3.926 1.00 31.20 C ATOM 1749 O LYS A 109 9.218 -8.063 4.137 1.00 72.53 O ATOM 1750 CB LYS A 109 8.008 -9.661 1.560 1.00 34.15 C ATOM 1751 CG LYS A 109 8.513 -10.676 0.525 1.00 45.20 C ATOM 1752 CD LYS A 109 10.049 -10.813 0.530 1.00 62.11 C ATOM 1753 CE LYS A 109 10.770 -9.476 0.275 1.00 72.04 C ATOM 1754 NZ LYS A 109 12.249 -9.624 0.277 1.00 42.34 N ATOM 0 H LYS A 109 6.974 -11.506 2.825 1.00 3.45 H new ATOM 0 HA LYS A 109 9.464 -10.276 3.043 1.00 32.12 H new ATOM 0 HB2 LYS A 109 6.922 -9.601 1.496 1.00 34.15 H new ATOM 0 HB3 LYS A 109 8.397 -8.675 1.307 1.00 34.15 H new ATOM 0 HG2 LYS A 109 8.064 -11.649 0.727 1.00 45.20 H new ATOM 0 HG3 LYS A 109 8.182 -10.372 -0.468 1.00 45.20 H new ATOM 0 HD2 LYS A 109 10.370 -11.216 1.491 1.00 62.11 H new ATOM 0 HD3 LYS A 109 10.347 -11.532 -0.233 1.00 62.11 H new ATOM 0 HE2 LYS A 109 10.449 -9.070 -0.684 1.00 72.04 H new ATOM 0 HE3 LYS A 109 10.478 -8.756 1.040 1.00 72.04 H new ATOM 0 HZ1 LYS A 109 12.672 -8.894 -0.331 1.00 42.34 H new ATOM 0 HZ2 LYS A 109 12.607 -9.517 1.247 1.00 42.34 H new ATOM 0 HZ3 LYS A 109 12.504 -10.565 -0.084 1.00 42.34 H new ATOM 1768 N ALA A 110 7.037 -8.572 4.477 1.00 71.52 N ATOM 1769 CA ALA A 110 6.762 -7.442 5.383 1.00 31.22 C ATOM 1770 C ALA A 110 7.642 -7.533 6.636 1.00 4.30 C ATOM 1771 O ALA A 110 8.304 -6.552 7.009 1.00 3.13 O ATOM 1772 CB ALA A 110 5.269 -7.384 5.756 1.00 45.12 C ATOM 0 H ALA A 110 6.231 -9.175 4.309 1.00 71.52 H new ATOM 0 HA ALA A 110 7.008 -6.517 4.861 1.00 31.22 H new ATOM 0 HB1 ALA A 110 5.094 -6.542 6.425 1.00 45.12 H new ATOM 0 HB2 ALA A 110 4.673 -7.260 4.852 1.00 45.12 H new ATOM 0 HB3 ALA A 110 4.983 -8.310 6.255 1.00 45.12 H new ATOM 1778 N LEU A 111 7.661 -8.732 7.267 1.00 4.30 N ATOM 1779 CA LEU A 111 8.520 -9.006 8.449 1.00 72.41 C ATOM 1780 C LEU A 111 10.012 -8.912 8.078 1.00 53.10 C ATOM 1781 O LEU A 111 10.833 -8.466 8.884 1.00 42.10 O ATOM 1782 CB LEU A 111 8.203 -10.392 9.054 1.00 71.45 C ATOM 1783 CG LEU A 111 6.764 -10.580 9.629 1.00 3.54 C ATOM 1784 CD1 LEU A 111 6.513 -12.050 9.993 1.00 32.41 C ATOM 1785 CD2 LEU A 111 6.504 -9.667 10.852 1.00 30.43 C ATOM 0 H LEU A 111 7.091 -9.527 6.978 1.00 4.30 H new ATOM 0 HA LEU A 111 8.304 -8.246 9.200 1.00 72.41 H new ATOM 0 HB2 LEU A 111 8.366 -11.147 8.285 1.00 71.45 H new ATOM 0 HB3 LEU A 111 8.919 -10.590 9.852 1.00 71.45 H new ATOM 0 HG LEU A 111 6.063 -10.286 8.847 1.00 3.54 H new ATOM 0 HD11 LEU A 111 5.504 -12.159 10.392 1.00 32.41 H new ATOM 0 HD12 LEU A 111 6.620 -12.669 9.102 1.00 32.41 H new ATOM 0 HD13 LEU A 111 7.236 -12.368 10.744 1.00 32.41 H new ATOM 0 HD21 LEU A 111 5.491 -9.831 11.220 1.00 30.43 H new ATOM 0 HD22 LEU A 111 7.219 -9.903 11.641 1.00 30.43 H new ATOM 0 HD23 LEU A 111 6.619 -8.624 10.558 1.00 30.43 H new ATOM 1797 N ASP A 112 10.326 -9.321 6.839 1.00 54.54 N ATOM 1798 CA ASP A 112 11.685 -9.258 6.277 1.00 52.22 C ATOM 1799 C ASP A 112 12.169 -7.794 6.142 1.00 55.02 C ATOM 1800 O ASP A 112 13.370 -7.533 6.204 1.00 55.35 O ATOM 1801 CB ASP A 112 11.713 -10.001 4.910 1.00 15.11 C ATOM 1802 CG ASP A 112 13.052 -9.902 4.161 1.00 51.13 C ATOM 1803 OD1 ASP A 112 14.070 -10.419 4.672 1.00 12.20 O ATOM 1804 OD2 ASP A 112 13.098 -9.310 3.058 1.00 71.21 O ATOM 0 H ASP A 112 9.638 -9.708 6.193 1.00 54.54 H new ATOM 0 HA ASP A 112 12.376 -9.754 6.958 1.00 52.22 H new ATOM 0 HB2 ASP A 112 11.481 -11.053 5.077 1.00 15.11 H new ATOM 0 HB3 ASP A 112 10.924 -9.598 4.275 1.00 15.11 H new ATOM 1809 N LEU A 113 11.219 -6.850 5.975 1.00 62.44 N ATOM 1810 CA LEU A 113 11.518 -5.406 5.932 1.00 53.01 C ATOM 1811 C LEU A 113 11.794 -4.878 7.365 1.00 13.14 C ATOM 1812 O LEU A 113 12.950 -4.582 7.702 1.00 32.30 O ATOM 1813 CB LEU A 113 10.361 -4.627 5.248 1.00 52.03 C ATOM 1814 CG LEU A 113 9.974 -5.091 3.809 1.00 44.25 C ATOM 1815 CD1 LEU A 113 8.803 -4.265 3.239 1.00 15.41 C ATOM 1816 CD2 LEU A 113 11.197 -5.095 2.868 1.00 24.14 C ATOM 0 H LEU A 113 10.228 -7.067 5.867 1.00 62.44 H new ATOM 0 HA LEU A 113 12.416 -5.246 5.335 1.00 53.01 H new ATOM 0 HB2 LEU A 113 9.477 -4.701 5.881 1.00 52.03 H new ATOM 0 HB3 LEU A 113 10.636 -3.573 5.206 1.00 52.03 H new ATOM 0 HG LEU A 113 9.625 -6.121 3.880 1.00 44.25 H new ATOM 0 HD11 LEU A 113 8.563 -4.618 2.236 1.00 15.41 H new ATOM 0 HD12 LEU A 113 7.930 -4.379 3.882 1.00 15.41 H new ATOM 0 HD13 LEU A 113 9.087 -3.213 3.195 1.00 15.41 H new ATOM 0 HD21 LEU A 113 10.891 -5.423 1.875 1.00 24.14 H new ATOM 0 HD22 LEU A 113 11.612 -4.089 2.806 1.00 24.14 H new ATOM 0 HD23 LEU A 113 11.954 -5.776 3.258 1.00 24.14 H new ATOM 1828 N ASP A 114 10.734 -4.794 8.206 1.00 33.34 N ATOM 1829 CA ASP A 114 10.852 -4.331 9.616 1.00 73.33 C ATOM 1830 C ASP A 114 9.583 -4.663 10.428 1.00 2.51 C ATOM 1831 O ASP A 114 8.473 -4.622 9.895 1.00 24.35 O ATOM 1832 CB ASP A 114 11.155 -2.804 9.691 1.00 13.30 C ATOM 1833 CG ASP A 114 11.309 -2.272 11.127 1.00 63.34 C ATOM 1834 OD1 ASP A 114 12.402 -2.415 11.708 1.00 2.02 O ATOM 1835 OD2 ASP A 114 10.337 -1.711 11.688 1.00 1.24 O ATOM 0 H ASP A 114 9.783 -5.041 7.933 1.00 33.34 H new ATOM 0 HA ASP A 114 11.691 -4.869 10.058 1.00 73.33 H new ATOM 0 HB2 ASP A 114 12.070 -2.597 9.136 1.00 13.30 H new ATOM 0 HB3 ASP A 114 10.352 -2.259 9.195 1.00 13.30 H new ATOM 1840 N SER A 115 9.789 -4.890 11.746 1.00 72.33 N ATOM 1841 CA SER A 115 8.764 -5.341 12.718 1.00 63.32 C ATOM 1842 C SER A 115 7.525 -4.423 12.813 1.00 5.03 C ATOM 1843 O SER A 115 6.494 -4.848 13.316 1.00 72.32 O ATOM 1844 CB SER A 115 9.428 -5.499 14.103 1.00 72.25 C ATOM 1845 OG SER A 115 10.187 -4.351 14.453 1.00 2.22 O ATOM 0 H SER A 115 10.704 -4.760 12.177 1.00 72.33 H new ATOM 0 HA SER A 115 8.381 -6.295 12.355 1.00 63.32 H new ATOM 0 HB2 SER A 115 8.661 -5.672 14.857 1.00 72.25 H new ATOM 0 HB3 SER A 115 10.075 -6.376 14.099 1.00 72.25 H new ATOM 0 HG SER A 115 10.592 -4.483 15.335 1.00 2.22 H new ATOM 1851 N SER A 116 7.603 -3.181 12.283 1.00 5.21 N ATOM 1852 CA SER A 116 6.426 -2.274 12.202 1.00 62.52 C ATOM 1853 C SER A 116 5.337 -2.825 11.240 1.00 24.14 C ATOM 1854 O SER A 116 4.288 -2.201 11.044 1.00 25.23 O ATOM 1855 CB SER A 116 6.881 -0.864 11.783 1.00 13.41 C ATOM 1856 OG SER A 116 7.824 -0.341 12.709 1.00 50.41 O ATOM 0 H SER A 116 8.462 -2.782 11.906 1.00 5.21 H new ATOM 0 HA SER A 116 5.970 -2.217 13.191 1.00 62.52 H new ATOM 0 HB2 SER A 116 7.324 -0.901 10.788 1.00 13.41 H new ATOM 0 HB3 SER A 116 6.018 -0.201 11.723 1.00 13.41 H new ATOM 0 HG SER A 116 8.713 -0.701 12.509 1.00 50.41 H new ATOM 1862 N CYS A 117 5.619 -3.990 10.639 1.00 62.32 N ATOM 1863 CA CYS A 117 4.675 -4.763 9.841 1.00 43.12 C ATOM 1864 C CYS A 117 3.939 -5.852 10.663 1.00 32.13 C ATOM 1865 O CYS A 117 3.368 -6.757 10.051 1.00 54.23 O ATOM 1866 CB CYS A 117 5.462 -5.461 8.755 1.00 31.13 C ATOM 1867 SG CYS A 117 6.599 -6.658 9.455 1.00 13.31 S ATOM 0 H CYS A 117 6.538 -4.427 10.701 1.00 62.32 H new ATOM 0 HA CYS A 117 3.924 -4.076 9.452 1.00 43.12 H new ATOM 0 HB2 CYS A 117 4.778 -5.961 8.069 1.00 31.13 H new ATOM 0 HB3 CYS A 117 6.016 -4.725 8.172 1.00 31.13 H new ATOM 0 HG CYS A 117 7.752 -6.093 9.659 1.00 13.31 H new ATOM 1873 N LYS A 118 4.011 -5.830 12.023 1.00 12.01 N ATOM 1874 CA LYS A 118 3.275 -6.817 12.882 1.00 72.13 C ATOM 1875 C LYS A 118 1.781 -6.977 12.486 1.00 41.24 C ATOM 1876 O LYS A 118 1.210 -8.063 12.618 1.00 15.20 O ATOM 1877 CB LYS A 118 3.369 -6.449 14.394 1.00 24.32 C ATOM 1878 CG LYS A 118 4.749 -6.703 15.047 1.00 41.23 C ATOM 1879 CD LYS A 118 5.210 -8.179 14.979 1.00 22.34 C ATOM 1880 CE LYS A 118 4.246 -9.140 15.697 1.00 4.14 C ATOM 1881 NZ LYS A 118 4.057 -8.790 17.128 1.00 73.02 N ATOM 0 H LYS A 118 4.562 -5.151 12.548 1.00 12.01 H new ATOM 0 HA LYS A 118 3.771 -7.772 12.709 1.00 72.13 H new ATOM 0 HB2 LYS A 118 3.117 -5.395 14.512 1.00 24.32 H new ATOM 0 HB3 LYS A 118 2.616 -7.019 14.938 1.00 24.32 H new ATOM 0 HG2 LYS A 118 5.494 -6.077 14.556 1.00 41.23 H new ATOM 0 HG3 LYS A 118 4.709 -6.392 16.091 1.00 41.23 H new ATOM 0 HD2 LYS A 118 5.303 -8.478 13.935 1.00 22.34 H new ATOM 0 HD3 LYS A 118 6.201 -8.266 15.425 1.00 22.34 H new ATOM 0 HE2 LYS A 118 3.280 -9.126 15.192 1.00 4.14 H new ATOM 0 HE3 LYS A 118 4.630 -10.158 15.622 1.00 4.14 H new ATOM 0 HZ1 LYS A 118 3.482 -9.522 17.592 1.00 73.02 H new ATOM 0 HZ2 LYS A 118 4.984 -8.730 17.596 1.00 73.02 H new ATOM 0 HZ3 LYS A 118 3.572 -7.873 17.200 1.00 73.02 H new ATOM 1895 N GLU A 119 1.188 -5.884 11.988 1.00 11.43 N ATOM 1896 CA GLU A 119 -0.171 -5.858 11.406 1.00 65.44 C ATOM 1897 C GLU A 119 -0.372 -6.953 10.317 1.00 1.22 C ATOM 1898 O GLU A 119 -1.428 -7.599 10.259 1.00 70.04 O ATOM 1899 CB GLU A 119 -0.452 -4.434 10.849 1.00 41.35 C ATOM 1900 CG GLU A 119 0.695 -3.856 9.984 1.00 33.03 C ATOM 1901 CD GLU A 119 0.468 -2.410 9.514 1.00 73.32 C ATOM 1902 OE1 GLU A 119 0.371 -1.518 10.379 1.00 64.31 O ATOM 1903 OE2 GLU A 119 0.425 -2.157 8.291 1.00 71.42 O ATOM 0 H GLU A 119 1.644 -4.972 11.976 1.00 11.43 H new ATOM 0 HA GLU A 119 -0.891 -6.089 12.191 1.00 65.44 H new ATOM 0 HB2 GLU A 119 -1.364 -4.462 10.252 1.00 41.35 H new ATOM 0 HB3 GLU A 119 -0.638 -3.759 11.684 1.00 41.35 H new ATOM 0 HG2 GLU A 119 1.622 -3.898 10.556 1.00 33.03 H new ATOM 0 HG3 GLU A 119 0.831 -4.492 9.110 1.00 33.03 H new ATOM 1910 N ALA A 120 0.663 -7.164 9.481 1.00 52.12 N ATOM 1911 CA ALA A 120 0.679 -8.227 8.454 1.00 62.20 C ATOM 1912 C ALA A 120 0.680 -9.632 9.090 1.00 45.35 C ATOM 1913 O ALA A 120 0.171 -10.579 8.474 1.00 21.54 O ATOM 1914 CB ALA A 120 1.889 -8.060 7.522 1.00 14.12 C ATOM 0 H ALA A 120 1.514 -6.602 9.498 1.00 52.12 H new ATOM 0 HA ALA A 120 -0.234 -8.129 7.866 1.00 62.20 H new ATOM 0 HB1 ALA A 120 1.883 -8.852 6.773 1.00 14.12 H new ATOM 0 HB2 ALA A 120 1.835 -7.091 7.026 1.00 14.12 H new ATOM 0 HB3 ALA A 120 2.808 -8.119 8.105 1.00 14.12 H new ATOM 1920 N ALA A 121 1.256 -9.764 10.316 1.00 2.22 N ATOM 1921 CA ALA A 121 1.250 -11.038 11.052 1.00 45.25 C ATOM 1922 C ALA A 121 -0.184 -11.443 11.408 1.00 65.34 C ATOM 1923 O ALA A 121 -0.568 -12.584 11.176 1.00 4.43 O ATOM 1924 CB ALA A 121 2.153 -10.974 12.293 1.00 21.41 C ATOM 0 H ALA A 121 1.726 -9.002 10.805 1.00 2.22 H new ATOM 0 HA ALA A 121 1.663 -11.810 10.403 1.00 45.25 H new ATOM 0 HB1 ALA A 121 2.125 -11.932 12.813 1.00 21.41 H new ATOM 0 HB2 ALA A 121 3.176 -10.757 11.987 1.00 21.41 H new ATOM 0 HB3 ALA A 121 1.799 -10.188 12.960 1.00 21.41 H new ATOM 1930 N ASP A 122 -0.983 -10.474 11.892 1.00 53.40 N ATOM 1931 CA ASP A 122 -2.417 -10.694 12.194 1.00 62.00 C ATOM 1932 C ASP A 122 -3.185 -11.038 10.904 1.00 0.40 C ATOM 1933 O ASP A 122 -4.057 -11.918 10.895 1.00 54.14 O ATOM 1934 CB ASP A 122 -3.045 -9.440 12.854 1.00 51.14 C ATOM 1935 CG ASP A 122 -2.262 -8.945 14.076 1.00 64.11 C ATOM 1936 OD1 ASP A 122 -2.409 -9.525 15.172 1.00 72.52 O ATOM 1937 OD2 ASP A 122 -1.483 -7.982 13.943 1.00 34.03 O ATOM 0 H ASP A 122 -0.661 -9.525 12.084 1.00 53.40 H new ATOM 0 HA ASP A 122 -2.490 -11.527 12.893 1.00 62.00 H new ATOM 0 HB2 ASP A 122 -3.101 -8.639 12.117 1.00 51.14 H new ATOM 0 HB3 ASP A 122 -4.068 -9.669 13.154 1.00 51.14 H new ATOM 1942 N GLY A 123 -2.811 -10.344 9.806 1.00 61.14 N ATOM 1943 CA GLY A 123 -3.410 -10.559 8.486 1.00 5.33 C ATOM 1944 C GLY A 123 -3.086 -11.923 7.891 1.00 44.40 C ATOM 1945 O GLY A 123 -3.863 -12.458 7.098 1.00 11.21 O ATOM 0 H GLY A 123 -2.088 -9.624 9.818 1.00 61.14 H new ATOM 0 HA2 GLY A 123 -4.492 -10.452 8.564 1.00 5.33 H new ATOM 0 HA3 GLY A 123 -3.061 -9.782 7.806 1.00 5.33 H new ATOM 1949 N TYR A 124 -1.924 -12.480 8.284 1.00 22.21 N ATOM 1950 CA TYR A 124 -1.493 -13.827 7.872 1.00 73.31 C ATOM 1951 C TYR A 124 -2.472 -14.899 8.338 1.00 43.50 C ATOM 1952 O TYR A 124 -2.845 -15.756 7.541 1.00 13.43 O ATOM 1953 CB TYR A 124 -0.088 -14.133 8.420 1.00 53.12 C ATOM 1954 CG TYR A 124 0.411 -15.570 8.184 1.00 61.12 C ATOM 1955 CD1 TYR A 124 0.418 -16.127 6.903 1.00 21.00 C ATOM 1956 CD2 TYR A 124 0.886 -16.360 9.235 1.00 4.44 C ATOM 1957 CE1 TYR A 124 0.872 -17.414 6.684 1.00 62.21 C ATOM 1958 CE2 TYR A 124 1.342 -17.647 9.014 1.00 0.14 C ATOM 1959 CZ TYR A 124 1.330 -18.166 7.738 1.00 53.34 C ATOM 1960 OH TYR A 124 1.784 -19.448 7.514 1.00 52.21 O ATOM 0 H TYR A 124 -1.259 -12.007 8.896 1.00 22.21 H new ATOM 0 HA TYR A 124 -1.468 -13.841 6.782 1.00 73.31 H new ATOM 0 HB2 TYR A 124 0.620 -13.441 7.965 1.00 53.12 H new ATOM 0 HB3 TYR A 124 -0.083 -13.936 9.492 1.00 53.12 H new ATOM 0 HD1 TYR A 124 0.062 -15.541 6.068 1.00 21.00 H new ATOM 0 HD2 TYR A 124 0.897 -15.958 10.237 1.00 4.44 H new ATOM 0 HE1 TYR A 124 0.867 -17.827 5.686 1.00 62.21 H new ATOM 0 HE2 TYR A 124 1.706 -18.242 9.838 1.00 0.14 H new ATOM 0 HH TYR A 124 2.074 -19.845 8.362 1.00 52.21 H new ATOM 1970 N GLN A 125 -2.865 -14.845 9.629 1.00 64.22 N ATOM 1971 CA GLN A 125 -3.836 -15.794 10.222 1.00 61.30 C ATOM 1972 C GLN A 125 -5.100 -15.919 9.351 1.00 40.44 C ATOM 1973 O GLN A 125 -5.609 -17.023 9.151 1.00 3.44 O ATOM 1974 CB GLN A 125 -4.201 -15.378 11.680 1.00 1.22 C ATOM 1975 CG GLN A 125 -3.223 -15.886 12.766 1.00 1.04 C ATOM 1976 CD GLN A 125 -1.753 -15.559 12.482 1.00 21.35 C ATOM 1977 OE1 GLN A 125 -1.036 -16.335 11.859 1.00 75.21 O ATOM 1978 NE2 GLN A 125 -1.311 -14.396 12.896 1.00 53.31 N ATOM 0 H GLN A 125 -2.521 -14.146 10.288 1.00 64.22 H new ATOM 0 HA GLN A 125 -3.362 -16.775 10.259 1.00 61.30 H new ATOM 0 HB2 GLN A 125 -4.245 -14.290 11.732 1.00 1.22 H new ATOM 0 HB3 GLN A 125 -5.200 -15.749 11.909 1.00 1.22 H new ATOM 0 HG2 GLN A 125 -3.503 -15.450 13.725 1.00 1.04 H new ATOM 0 HG3 GLN A 125 -3.332 -16.966 12.863 1.00 1.04 H new ATOM 0 HE21 GLN A 125 -1.929 -13.770 13.412 1.00 53.31 H new ATOM 0 HE22 GLN A 125 -0.349 -14.117 12.702 1.00 53.31 H new ATOM 1987 N ARG A 126 -5.539 -14.782 8.793 1.00 23.44 N ATOM 1988 CA ARG A 126 -6.641 -14.729 7.825 1.00 70.42 C ATOM 1989 C ARG A 126 -6.270 -15.461 6.508 1.00 12.43 C ATOM 1990 O ARG A 126 -7.069 -16.261 6.006 1.00 10.24 O ATOM 1991 CB ARG A 126 -7.009 -13.239 7.550 1.00 54.21 C ATOM 1992 CG ARG A 126 -7.955 -13.003 6.350 1.00 45.52 C ATOM 1993 CD ARG A 126 -9.315 -13.701 6.488 1.00 74.31 C ATOM 1994 NE ARG A 126 -10.130 -13.560 5.266 1.00 23.32 N ATOM 1995 CZ ARG A 126 -10.942 -14.501 4.762 1.00 52.21 C ATOM 1996 NH1 ARG A 126 -11.087 -15.676 5.367 1.00 41.14 N ATOM 1997 NH2 ARG A 126 -11.629 -14.251 3.649 1.00 51.55 N ATOM 0 H ARG A 126 -5.136 -13.869 9.003 1.00 23.44 H new ATOM 0 HA ARG A 126 -7.506 -15.243 8.244 1.00 70.42 H new ATOM 0 HB2 ARG A 126 -7.474 -12.826 8.445 1.00 54.21 H new ATOM 0 HB3 ARG A 126 -6.089 -12.680 7.382 1.00 54.21 H new ATOM 0 HG2 ARG A 126 -8.117 -11.932 6.232 1.00 45.52 H new ATOM 0 HG3 ARG A 126 -7.468 -13.354 5.440 1.00 45.52 H new ATOM 0 HD2 ARG A 126 -9.161 -14.759 6.702 1.00 74.31 H new ATOM 0 HD3 ARG A 126 -9.855 -13.280 7.336 1.00 74.31 H new ATOM 0 HE ARG A 126 -10.071 -12.674 4.763 1.00 23.32 H new ATOM 0 HH11 ARG A 126 -10.577 -15.873 6.228 1.00 41.14 H new ATOM 0 HH12 ARG A 126 -11.709 -16.381 4.970 1.00 41.14 H new ATOM 0 HH21 ARG A 126 -11.536 -13.348 3.184 1.00 51.55 H new ATOM 0 HH22 ARG A 126 -12.248 -14.963 3.261 1.00 51.55 H new ATOM 2011 N CYS A 127 -5.053 -15.203 5.992 1.00 54.52 N ATOM 2012 CA CYS A 127 -4.624 -15.690 4.667 1.00 43.04 C ATOM 2013 C CYS A 127 -4.511 -17.228 4.657 1.00 54.02 C ATOM 2014 O CYS A 127 -5.174 -17.906 3.857 1.00 23.43 O ATOM 2015 CB CYS A 127 -3.275 -15.041 4.285 1.00 64.22 C ATOM 2016 SG CYS A 127 -3.310 -13.234 4.283 1.00 24.25 S ATOM 0 H CYS A 127 -4.344 -14.655 6.478 1.00 54.52 H new ATOM 0 HA CYS A 127 -5.375 -15.407 3.929 1.00 43.04 H new ATOM 0 HB2 CYS A 127 -2.509 -15.380 4.983 1.00 64.22 H new ATOM 0 HB3 CYS A 127 -2.982 -15.391 3.295 1.00 64.22 H new ATOM 0 HG CYS A 127 -3.231 -12.797 5.505 1.00 24.25 H new ATOM 2022 N MET A 128 -3.696 -17.761 5.589 1.00 52.44 N ATOM 2023 CA MET A 128 -3.452 -19.211 5.703 1.00 63.53 C ATOM 2024 C MET A 128 -4.760 -19.998 5.950 1.00 14.44 C ATOM 2025 O MET A 128 -4.993 -21.021 5.305 1.00 64.13 O ATOM 2026 CB MET A 128 -2.412 -19.521 6.817 1.00 72.13 C ATOM 2027 CG MET A 128 -2.760 -18.976 8.213 1.00 55.11 C ATOM 2028 SD MET A 128 -1.765 -19.713 9.524 1.00 4.13 S ATOM 2029 CE MET A 128 -2.350 -21.413 9.491 1.00 20.33 C ATOM 0 H MET A 128 -3.192 -17.203 6.278 1.00 52.44 H new ATOM 0 HA MET A 128 -3.042 -19.540 4.748 1.00 63.53 H new ATOM 0 HB2 MET A 128 -2.291 -20.602 6.887 1.00 72.13 H new ATOM 0 HB3 MET A 128 -1.448 -19.111 6.515 1.00 72.13 H new ATOM 0 HG2 MET A 128 -2.619 -17.895 8.221 1.00 55.11 H new ATOM 0 HG3 MET A 128 -3.815 -19.161 8.417 1.00 55.11 H new ATOM 0 HE1 MET A 128 -2.176 -21.876 10.462 1.00 20.33 H new ATOM 0 HE2 MET A 128 -3.417 -21.426 9.268 1.00 20.33 H new ATOM 0 HE3 MET A 128 -1.812 -21.968 8.723 1.00 20.33 H new ATOM 2039 N MET A 129 -5.632 -19.487 6.850 1.00 11.41 N ATOM 2040 CA MET A 129 -6.841 -20.225 7.270 1.00 34.54 C ATOM 2041 C MET A 129 -7.921 -20.216 6.178 1.00 21.44 C ATOM 2042 O MET A 129 -8.670 -21.173 6.069 1.00 41.24 O ATOM 2043 CB MET A 129 -7.431 -19.682 8.606 1.00 73.14 C ATOM 2044 CG MET A 129 -8.303 -18.417 8.497 1.00 60.01 C ATOM 2045 SD MET A 129 -9.137 -17.997 10.043 1.00 30.11 S ATOM 2046 CE MET A 129 -10.164 -19.449 10.289 1.00 43.00 C ATOM 0 H MET A 129 -5.521 -18.576 7.294 1.00 11.41 H new ATOM 0 HA MET A 129 -6.523 -21.254 7.436 1.00 34.54 H new ATOM 0 HB2 MET A 129 -8.027 -20.471 9.064 1.00 73.14 H new ATOM 0 HB3 MET A 129 -6.605 -19.472 9.286 1.00 73.14 H new ATOM 0 HG2 MET A 129 -7.679 -17.578 8.188 1.00 60.01 H new ATOM 0 HG3 MET A 129 -9.050 -18.564 7.716 1.00 60.01 H new ATOM 0 HE1 MET A 129 -10.997 -19.198 10.946 1.00 43.00 H new ATOM 0 HE2 MET A 129 -10.549 -19.789 9.328 1.00 43.00 H new ATOM 0 HE3 MET A 129 -9.570 -20.242 10.743 1.00 43.00 H new ATOM 2056 N ALA A 130 -7.970 -19.134 5.367 1.00 71.03 N ATOM 2057 CA ALA A 130 -9.044 -18.905 4.370 1.00 75.32 C ATOM 2058 C ALA A 130 -9.133 -20.044 3.335 1.00 14.31 C ATOM 2059 O ALA A 130 -10.228 -20.521 3.005 1.00 12.13 O ATOM 2060 CB ALA A 130 -8.839 -17.554 3.674 1.00 30.11 C ATOM 0 H ALA A 130 -7.267 -18.395 5.385 1.00 71.03 H new ATOM 0 HA ALA A 130 -9.992 -18.890 4.907 1.00 75.32 H new ATOM 0 HB1 ALA A 130 -9.633 -17.396 2.944 1.00 30.11 H new ATOM 0 HB2 ALA A 130 -8.864 -16.755 4.415 1.00 30.11 H new ATOM 0 HB3 ALA A 130 -7.874 -17.549 3.167 1.00 30.11 H new ATOM 2066 N GLN A 131 -7.958 -20.475 2.851 1.00 71.51 N ATOM 2067 CA GLN A 131 -7.845 -21.635 1.948 1.00 12.43 C ATOM 2068 C GLN A 131 -8.046 -22.955 2.720 1.00 23.53 C ATOM 2069 O GLN A 131 -8.571 -23.917 2.167 1.00 14.13 O ATOM 2070 CB GLN A 131 -6.481 -21.630 1.197 1.00 21.04 C ATOM 2071 CG GLN A 131 -5.252 -21.393 2.090 1.00 24.42 C ATOM 2072 CD GLN A 131 -3.919 -21.547 1.356 1.00 31.11 C ATOM 2073 OE1 GLN A 131 -3.809 -22.278 0.375 1.00 22.15 O ATOM 2074 NE2 GLN A 131 -2.890 -20.899 1.853 1.00 40.51 N ATOM 0 H GLN A 131 -7.065 -20.034 3.071 1.00 71.51 H new ATOM 0 HA GLN A 131 -8.636 -21.557 1.202 1.00 12.43 H new ATOM 0 HB2 GLN A 131 -6.361 -22.585 0.685 1.00 21.04 H new ATOM 0 HB3 GLN A 131 -6.508 -20.857 0.429 1.00 21.04 H new ATOM 0 HG2 GLN A 131 -5.310 -20.390 2.513 1.00 24.42 H new ATOM 0 HG3 GLN A 131 -5.280 -22.093 2.925 1.00 24.42 H new ATOM 0 HE21 GLN A 131 -3.011 -20.299 2.669 1.00 40.51 H new ATOM 0 HE22 GLN A 131 -1.970 -20.996 1.423 1.00 40.51 H new ATOM 2083 N TYR A 132 -7.660 -22.985 4.011 1.00 65.10 N ATOM 2084 CA TYR A 132 -7.732 -24.209 4.848 1.00 1.22 C ATOM 2085 C TYR A 132 -9.051 -24.252 5.662 1.00 12.14 C ATOM 2086 O TYR A 132 -9.062 -24.687 6.818 1.00 42.11 O ATOM 2087 CB TYR A 132 -6.494 -24.267 5.802 1.00 75.50 C ATOM 2088 CG TYR A 132 -5.109 -24.253 5.123 1.00 2.53 C ATOM 2089 CD1 TYR A 132 -4.936 -24.564 3.769 1.00 21.15 C ATOM 2090 CD2 TYR A 132 -3.966 -23.917 5.856 1.00 12.14 C ATOM 2091 CE1 TYR A 132 -3.685 -24.538 3.181 1.00 35.12 C ATOM 2092 CE2 TYR A 132 -2.716 -23.890 5.269 1.00 74.11 C ATOM 2093 CZ TYR A 132 -2.582 -24.203 3.935 1.00 63.24 C ATOM 2094 OH TYR A 132 -1.337 -24.184 3.347 1.00 63.32 O ATOM 0 H TYR A 132 -7.292 -22.171 4.504 1.00 65.10 H new ATOM 0 HA TYR A 132 -7.720 -25.080 4.193 1.00 1.22 H new ATOM 0 HB2 TYR A 132 -6.549 -23.420 6.486 1.00 75.50 H new ATOM 0 HB3 TYR A 132 -6.570 -25.171 6.407 1.00 75.50 H new ATOM 0 HD1 TYR A 132 -5.796 -24.829 3.172 1.00 21.15 H new ATOM 0 HD2 TYR A 132 -4.063 -23.673 6.904 1.00 12.14 H new ATOM 0 HE1 TYR A 132 -3.573 -24.779 2.134 1.00 35.12 H new ATOM 0 HE2 TYR A 132 -1.848 -23.625 5.854 1.00 74.11 H new ATOM 0 HH TYR A 132 -0.665 -23.927 4.012 1.00 63.32 H new ATOM 2104 N ASN A 133 -10.159 -23.816 5.037 1.00 24.10 N ATOM 2105 CA ASN A 133 -11.512 -23.905 5.636 1.00 61.23 C ATOM 2106 C ASN A 133 -12.054 -25.346 5.461 1.00 2.34 C ATOM 2107 O ASN A 133 -12.507 -25.683 4.351 1.00 32.22 O ATOM 2108 CB ASN A 133 -12.484 -22.853 5.005 1.00 54.42 C ATOM 2109 CG ASN A 133 -12.463 -21.463 5.659 1.00 3.14 C ATOM 2110 OD1 ASN A 133 -13.461 -20.745 5.632 1.00 13.00 O ATOM 2111 ND2 ASN A 133 -11.351 -21.069 6.263 1.00 34.53 N ATOM 2112 OXT ASN A 133 -11.997 -26.140 6.427 1.00 37.99 O ATOM 0 H ASN A 133 -10.148 -23.394 4.108 1.00 24.10 H new ATOM 0 HA ASN A 133 -11.445 -23.676 6.700 1.00 61.23 H new ATOM 0 HB2 ASN A 133 -12.238 -22.743 3.949 1.00 54.42 H new ATOM 0 HB3 ASN A 133 -13.500 -23.245 5.056 1.00 54.42 H new ATOM 0 HD21 ASN A 133 -11.313 -20.156 6.716 1.00 34.53 H new ATOM 0 HD22 ASN A 133 -10.533 -21.679 6.275 1.00 34.53 H new