USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 829 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 443 GLN : amide:sc= 0.682 K(o=-9.9,f=-8.4) USER MOD Set 1.2: A 475 SER OG : rot 130:sc= 0.665 USER MOD Set 1.3: A 476 ASN : amide:sc= -5.86! C(o=-9.9!,f=-8.4!) USER MOD Set 1.4: A 480 GLN : amide:sc= -5.42! C(o=-9.9!,f=-11!) USER MOD Set 2.1: A 473 MET CE :methyl -140:sc= -11.1! (180deg=-12.7!) USER MOD Set 2.2: A 485 CYS SG : rot -106:sc= -3.69! USER MOD Set 3.1: A 471 GLN : amide:sc= -0.553 K(o=-1.8,f=-0.88) USER MOD Set 3.2: A 474 MET CE :methyl -144:sc= -1.27 (180deg=-1.77!) USER MOD Set 4.1: A 462 CYS SG : rot 100:sc= -2.39! USER MOD Set 4.2: A 503 THR OG1 : rot -138:sc= 0.934 USER MOD Single : A 395 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -7.2! C(o=-7.2!,f=-5.7!) USER MOD Single : A 401 HIS : no HD1:sc= -9.13! C(o=-9.1!,f=-14!) USER MOD Single : A 407 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.4) USER MOD Single : A 415 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0696) USER MOD Single : A 426 THR OG1 : rot 180:sc= 0 USER MOD Single : A 448 HIS : no HD1:sc= -2.99! C(o=-3!,f=-2.9!) USER MOD Single : A 449 SER OG : rot -160:sc= -1.93 USER MOD Single : A 457 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 458 SER OG : rot -28:sc= -0.0826 USER MOD Single : A 459 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.63) USER MOD Single : A 465 SER OG : rot -23:sc= 0.138 USER MOD Single : A 467 HIS : no HD1:sc= -0.012 X(o=-0.012,f=-0.33) USER MOD Single : A 468 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 470 ASN : amide:sc= -3.36 K(o=-3.4,f=-1.4) USER MOD Single : A 478 THR OG1 : rot -30:sc= 0.18 USER MOD Single : A 482 SER OG : rot 19:sc= 0.755 USER MOD Single : A 494 SER OG : rot 70:sc= -0.853! USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 498 GLN : amide:sc= -1.73 K(o=-1.7,f=-3.1!) USER MOD Single : A 500 SER OG : rot 180:sc= 0 USER MOD Single : A 501 SER OG : rot -23:sc= 0.284 USER MOD Single : A 505 SER OG : rot 180:sc= 0 USER MOD Single : A 508 SER OG : rot 180:sc= -0.0008 USER MOD Single : A 516 HIS : no HD1:sc= -6.64! C(o=-6.6!,f=-11!) USER MOD Single : A 517 SER OG : rot 180:sc= -1.37 USER MOD Single : A 518 GLN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 526 ASN : amide:sc= -3.64! C(o=-3.6!,f=-4.1!) USER MOD Single : A 527 THR OG1 : rot -120:sc= -0.0927 USER MOD Single : A 529 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 531 HIS : no HE2:sc= -4.61! C(o=-4.6!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 125 N TYR A 395 3.675 8.885 4.384 1.00 21.23 N ATOM 126 CA TYR A 395 3.214 7.621 3.833 1.00 65.45 C ATOM 127 C TYR A 395 3.906 7.317 2.503 1.00 63.34 C ATOM 128 O TYR A 395 3.990 8.182 1.631 1.00 42.51 O ATOM 129 CB TYR A 395 1.715 7.792 3.586 1.00 55.51 C ATOM 130 CG TYR A 395 0.897 8.029 4.858 1.00 21.24 C ATOM 131 CD1 TYR A 395 1.481 7.854 6.096 1.00 62.21 C ATOM 132 CD2 TYR A 395 -0.423 8.419 4.767 1.00 43.10 C ATOM 133 CE1 TYR A 395 0.712 8.076 7.293 1.00 13.41 C ATOM 134 CE2 TYR A 395 -1.193 8.643 5.964 1.00 32.31 C ATOM 135 CZ TYR A 395 -0.587 8.460 7.167 1.00 54.30 C ATOM 136 OH TYR A 395 -1.313 8.670 8.298 1.00 15.22 O ATOM 0 HA TYR A 395 3.435 6.801 4.516 1.00 65.45 H new ATOM 0 HB2 TYR A 395 1.563 8.631 2.907 1.00 55.51 H new ATOM 0 HB3 TYR A 395 1.336 6.902 3.083 1.00 55.51 H new ATOM 0 HD1 TYR A 395 2.515 7.550 6.167 1.00 62.21 H new ATOM 0 HD2 TYR A 395 -0.880 8.557 3.798 1.00 43.10 H new ATOM 0 HE1 TYR A 395 1.156 7.941 8.268 1.00 13.41 H new ATOM 0 HE2 TYR A 395 -2.227 8.949 5.907 1.00 32.31 H new ATOM 0 HH TYR A 395 -2.223 8.941 8.057 1.00 15.22 H new ATOM 145 N ASN A 396 4.386 6.088 2.390 1.00 61.52 N ATOM 146 CA ASN A 396 5.069 5.660 1.180 1.00 65.40 C ATOM 147 C ASN A 396 4.237 4.581 0.485 1.00 35.52 C ATOM 148 O ASN A 396 4.512 4.220 -0.659 1.00 61.34 O ATOM 149 CB ASN A 396 6.441 5.064 1.504 1.00 63.42 C ATOM 150 CG ASN A 396 7.493 6.164 1.664 1.00 13.11 C ATOM 151 OD1 ASN A 396 7.202 7.348 1.617 1.00 22.54 O ATOM 152 ND2 ASN A 396 8.727 5.707 1.855 1.00 62.53 N ATOM 0 H ASN A 396 4.316 5.375 3.116 1.00 61.52 H new ATOM 0 HA ASN A 396 5.197 6.532 0.538 1.00 65.40 H new ATOM 0 HB2 ASN A 396 6.380 4.478 2.421 1.00 63.42 H new ATOM 0 HB3 ASN A 396 6.742 4.381 0.709 1.00 63.42 H new ATOM 0 HD21 ASN A 396 9.501 6.361 1.973 1.00 62.53 H new ATOM 0 HD22 ASN A 396 8.900 4.702 1.884 1.00 62.53 H new ATOM 158 N PHE A 397 3.236 4.096 1.205 1.00 73.51 N ATOM 159 CA PHE A 397 2.362 3.065 0.670 1.00 62.52 C ATOM 160 C PHE A 397 1.191 2.796 1.617 1.00 31.21 C ATOM 161 O PHE A 397 1.384 2.631 2.820 1.00 34.10 O ATOM 162 CB PHE A 397 3.200 1.791 0.540 1.00 75.22 C ATOM 163 CG PHE A 397 3.837 1.329 1.853 1.00 11.42 C ATOM 164 CD1 PHE A 397 4.865 2.033 2.395 1.00 33.24 C ATOM 165 CD2 PHE A 397 3.373 0.212 2.476 1.00 55.20 C ATOM 166 CE1 PHE A 397 5.455 1.604 3.613 1.00 23.01 C ATOM 167 CE2 PHE A 397 3.964 -0.218 3.694 1.00 41.44 C ATOM 168 CZ PHE A 397 4.991 0.487 4.237 1.00 71.21 C ATOM 0 H PHE A 397 3.011 4.397 2.153 1.00 73.51 H new ATOM 0 HA PHE A 397 1.954 3.383 -0.290 1.00 62.52 H new ATOM 0 HB2 PHE A 397 2.569 0.991 0.153 1.00 75.22 H new ATOM 0 HB3 PHE A 397 3.987 1.960 -0.195 1.00 75.22 H new ATOM 0 HD1 PHE A 397 5.233 2.919 1.899 1.00 33.24 H new ATOM 0 HD2 PHE A 397 2.556 -0.347 2.045 1.00 55.20 H new ATOM 0 HE1 PHE A 397 6.272 2.164 4.044 1.00 23.01 H new ATOM 0 HE2 PHE A 397 3.597 -1.105 4.189 1.00 41.44 H new ATOM 0 HZ PHE A 397 5.439 0.161 5.164 1.00 71.21 H new ATOM 177 N VAL A 398 -0.001 2.760 1.036 1.00 71.43 N ATOM 178 CA VAL A 398 -1.204 2.514 1.813 1.00 31.10 C ATOM 179 C VAL A 398 -1.546 1.024 1.757 1.00 74.42 C ATOM 180 O VAL A 398 -1.894 0.503 0.699 1.00 54.44 O ATOM 181 CB VAL A 398 -2.341 3.408 1.314 1.00 74.14 C ATOM 182 CG1 VAL A 398 -3.008 2.806 0.075 1.00 52.21 C ATOM 183 CG2 VAL A 398 -3.367 3.661 2.422 1.00 74.41 C ATOM 0 H VAL A 398 -0.158 2.897 0.038 1.00 71.43 H new ATOM 0 HA VAL A 398 -1.042 2.771 2.860 1.00 31.10 H new ATOM 0 HB VAL A 398 -1.912 4.369 1.030 1.00 74.14 H new ATOM 0 HG11 VAL A 398 -3.813 3.461 -0.259 1.00 52.21 H new ATOM 0 HG12 VAL A 398 -2.270 2.702 -0.721 1.00 52.21 H new ATOM 0 HG13 VAL A 398 -3.417 1.826 0.322 1.00 52.21 H new ATOM 0 HG21 VAL A 398 -4.164 4.299 2.041 1.00 74.41 H new ATOM 0 HG22 VAL A 398 -3.788 2.711 2.751 1.00 74.41 H new ATOM 0 HG23 VAL A 398 -2.880 4.153 3.264 1.00 74.41 H new ATOM 193 N ILE A 399 -1.434 0.380 2.909 1.00 51.45 N ATOM 194 CA ILE A 399 -1.728 -1.040 3.005 1.00 24.40 C ATOM 195 C ILE A 399 -3.228 -1.232 3.231 1.00 50.03 C ATOM 196 O ILE A 399 -3.723 -1.034 4.341 1.00 73.44 O ATOM 197 CB ILE A 399 -0.854 -1.698 4.075 1.00 52.24 C ATOM 198 CG1 ILE A 399 0.631 -1.448 3.801 1.00 32.44 C ATOM 199 CG2 ILE A 399 -1.172 -3.187 4.203 1.00 21.22 C ATOM 200 CD1 ILE A 399 1.493 -1.931 4.968 1.00 22.41 C ATOM 0 H ILE A 399 -1.144 0.815 3.785 1.00 51.45 H new ATOM 0 HA ILE A 399 -1.480 -1.544 2.071 1.00 24.40 H new ATOM 0 HB ILE A 399 -1.085 -1.237 5.035 1.00 52.24 H new ATOM 0 HG12 ILE A 399 0.928 -1.963 2.888 1.00 32.44 H new ATOM 0 HG13 ILE A 399 0.800 -0.384 3.636 1.00 32.44 H new ATOM 0 HG21 ILE A 399 -0.537 -3.630 4.970 1.00 21.22 H new ATOM 0 HG22 ILE A 399 -2.218 -3.313 4.481 1.00 21.22 H new ATOM 0 HG23 ILE A 399 -0.988 -3.682 3.249 1.00 21.22 H new ATOM 0 HD11 ILE A 399 2.543 -1.741 4.747 1.00 22.41 H new ATOM 0 HD12 ILE A 399 1.210 -1.396 5.875 1.00 22.41 H new ATOM 0 HD13 ILE A 399 1.340 -3.000 5.115 1.00 22.41 H new ATOM 211 N LEU A 400 -3.912 -1.616 2.163 1.00 42.23 N ATOM 212 CA LEU A 400 -5.346 -1.836 2.234 1.00 14.04 C ATOM 213 C LEU A 400 -5.618 -3.202 2.867 1.00 61.30 C ATOM 214 O LEU A 400 -5.049 -4.210 2.448 1.00 43.11 O ATOM 215 CB LEU A 400 -5.983 -1.662 0.853 1.00 1.11 C ATOM 216 CG LEU A 400 -6.422 -0.243 0.490 1.00 1.41 C ATOM 217 CD1 LEU A 400 -6.244 0.022 -1.007 1.00 63.55 C ATOM 218 CD2 LEU A 400 -7.857 0.021 0.950 1.00 51.45 C ATOM 0 H LEU A 400 -3.500 -1.780 1.245 1.00 42.23 H new ATOM 0 HA LEU A 400 -5.814 -1.088 2.874 1.00 14.04 H new ATOM 0 HB2 LEU A 400 -5.272 -2.004 0.101 1.00 1.11 H new ATOM 0 HB3 LEU A 400 -6.852 -2.317 0.791 1.00 1.11 H new ATOM 0 HG LEU A 400 -5.778 0.459 1.020 1.00 1.41 H new ATOM 0 HD11 LEU A 400 -6.564 1.038 -1.237 1.00 63.55 H new ATOM 0 HD12 LEU A 400 -5.194 -0.098 -1.275 1.00 63.55 H new ATOM 0 HD13 LEU A 400 -6.847 -0.686 -1.576 1.00 63.55 H new ATOM 0 HD21 LEU A 400 -8.145 1.037 0.680 1.00 51.45 H new ATOM 0 HD22 LEU A 400 -8.530 -0.687 0.467 1.00 51.45 H new ATOM 0 HD23 LEU A 400 -7.920 -0.098 2.032 1.00 51.45 H new ATOM 229 N HIS A 401 -6.486 -3.192 3.868 1.00 41.32 N ATOM 230 CA HIS A 401 -6.839 -4.417 4.566 1.00 32.33 C ATOM 231 C HIS A 401 -8.088 -4.182 5.416 1.00 12.24 C ATOM 232 O HIS A 401 -8.659 -3.092 5.400 1.00 61.44 O ATOM 233 CB HIS A 401 -5.655 -4.938 5.381 1.00 4.42 C ATOM 234 CG HIS A 401 -5.355 -4.124 6.616 1.00 63.34 C ATOM 235 ND1 HIS A 401 -6.303 -3.858 7.588 1.00 62.03 N ATOM 236 CD2 HIS A 401 -4.202 -3.521 7.028 1.00 40.41 C ATOM 237 CE1 HIS A 401 -5.737 -3.125 8.536 1.00 11.22 C ATOM 238 NE2 HIS A 401 -4.435 -2.918 8.187 1.00 51.13 N ATOM 0 H HIS A 401 -6.956 -2.355 4.213 1.00 41.32 H new ATOM 0 HA HIS A 401 -7.077 -5.197 3.842 1.00 32.33 H new ATOM 0 HB2 HIS A 401 -5.856 -5.968 5.677 1.00 4.42 H new ATOM 0 HB3 HIS A 401 -4.769 -4.956 4.746 1.00 4.42 H new ATOM 0 HD2 HIS A 401 -3.260 -3.533 6.500 1.00 40.41 H new ATOM 0 HE1 HIS A 401 -6.222 -2.756 9.428 1.00 11.22 H new ATOM 0 HE2 HIS A 401 -3.752 -2.387 8.728 1.00 51.13 H new ATOM 246 N ALA A 402 -8.477 -5.222 6.139 1.00 40.53 N ATOM 247 CA ALA A 402 -9.648 -5.141 6.996 1.00 74.13 C ATOM 248 C ALA A 402 -9.207 -4.834 8.428 1.00 23.01 C ATOM 249 O ALA A 402 -8.076 -5.128 8.810 1.00 21.14 O ATOM 250 CB ALA A 402 -10.443 -6.445 6.897 1.00 20.00 C ATOM 0 H ALA A 402 -8.002 -6.125 6.149 1.00 40.53 H new ATOM 0 HA ALA A 402 -10.305 -4.333 6.674 1.00 74.13 H new ATOM 0 HB1 ALA A 402 -11.321 -6.385 7.539 1.00 20.00 H new ATOM 0 HB2 ALA A 402 -10.758 -6.602 5.865 1.00 20.00 H new ATOM 0 HB3 ALA A 402 -9.817 -7.278 7.216 1.00 20.00 H new ATOM 256 N ARG A 403 -10.124 -4.246 9.182 1.00 71.43 N ATOM 257 CA ARG A 403 -9.845 -3.896 10.565 1.00 24.45 C ATOM 258 C ARG A 403 -9.435 -5.141 11.355 1.00 72.13 C ATOM 259 O ARG A 403 -8.882 -5.032 12.449 1.00 52.32 O ATOM 260 CB ARG A 403 -11.065 -3.257 11.229 1.00 23.23 C ATOM 261 CG ARG A 403 -12.094 -4.319 11.621 1.00 43.31 C ATOM 262 CD ARG A 403 -12.144 -4.500 13.141 1.00 51.41 C ATOM 263 NE ARG A 403 -13.072 -3.514 13.737 1.00 21.11 N ATOM 264 CZ ARG A 403 -14.417 -3.587 13.643 1.00 54.53 C ATOM 265 NH1 ARG A 403 -15.002 -4.601 12.973 1.00 43.22 N ATOM 266 NH2 ARG A 403 -15.150 -2.649 14.214 1.00 23.34 N ATOM 0 H ARG A 403 -11.061 -4.003 8.862 1.00 71.43 H new ATOM 0 HA ARG A 403 -9.027 -3.175 10.566 1.00 24.45 H new ATOM 0 HB2 ARG A 403 -10.753 -2.703 12.114 1.00 23.23 H new ATOM 0 HB3 ARG A 403 -11.520 -2.538 10.547 1.00 23.23 H new ATOM 0 HG2 ARG A 403 -13.078 -4.030 11.253 1.00 43.31 H new ATOM 0 HG3 ARG A 403 -11.842 -5.267 11.146 1.00 43.31 H new ATOM 0 HD2 ARG A 403 -12.469 -5.511 13.385 1.00 51.41 H new ATOM 0 HD3 ARG A 403 -11.147 -4.375 13.563 1.00 51.41 H new ATOM 0 HE ARG A 403 -12.671 -2.730 14.251 1.00 21.11 H new ATOM 0 HH11 ARG A 403 -14.428 -5.320 12.533 1.00 43.22 H new ATOM 0 HH12 ARG A 403 -16.019 -4.649 12.907 1.00 43.22 H new ATOM 0 HH21 ARG A 403 -14.699 -1.884 14.716 1.00 23.34 H new ATOM 0 HH22 ARG A 403 -16.167 -2.689 14.153 1.00 23.34 H new ATOM 276 N ALA A 404 -9.721 -6.294 10.771 1.00 11.20 N ATOM 277 CA ALA A 404 -9.390 -7.558 11.406 1.00 61.14 C ATOM 278 C ALA A 404 -8.065 -8.076 10.843 1.00 63.11 C ATOM 279 O ALA A 404 -7.741 -9.253 10.988 1.00 1.03 O ATOM 280 CB ALA A 404 -10.537 -8.550 11.201 1.00 55.10 C ATOM 0 H ALA A 404 -10.179 -6.380 9.864 1.00 11.20 H new ATOM 0 HA ALA A 404 -9.263 -7.424 12.480 1.00 61.14 H new ATOM 0 HB1 ALA A 404 -10.288 -9.498 11.678 1.00 55.10 H new ATOM 0 HB2 ALA A 404 -11.448 -8.149 11.645 1.00 55.10 H new ATOM 0 HB3 ALA A 404 -10.693 -8.710 10.134 1.00 55.10 H new ATOM 286 N ASP A 405 -7.332 -7.168 10.213 1.00 22.13 N ATOM 287 CA ASP A 405 -6.048 -7.518 9.628 1.00 3.04 C ATOM 288 C ASP A 405 -5.046 -6.396 9.900 1.00 33.21 C ATOM 289 O ASP A 405 -4.053 -6.258 9.187 1.00 14.35 O ATOM 290 CB ASP A 405 -6.164 -7.693 8.112 1.00 54.20 C ATOM 291 CG ASP A 405 -7.281 -8.632 7.652 1.00 51.22 C ATOM 292 OD1 ASP A 405 -8.181 -8.233 6.898 1.00 11.11 O ATOM 293 OD2 ASP A 405 -7.201 -9.836 8.106 1.00 72.21 O ATOM 0 H ASP A 405 -7.603 -6.192 10.095 1.00 22.13 H new ATOM 0 HA ASP A 405 -5.717 -8.455 10.075 1.00 3.04 H new ATOM 0 HB2 ASP A 405 -6.324 -6.714 7.660 1.00 54.20 H new ATOM 0 HB3 ASP A 405 -5.214 -8.069 7.731 1.00 54.20 H new ATOM 298 N GLU A 406 -5.340 -5.621 10.934 1.00 60.14 N ATOM 299 CA GLU A 406 -4.476 -4.514 11.309 1.00 62.52 C ATOM 300 C GLU A 406 -3.119 -5.037 11.784 1.00 32.44 C ATOM 301 O GLU A 406 -2.113 -4.881 11.094 1.00 64.32 O ATOM 302 CB GLU A 406 -5.134 -3.644 12.381 1.00 21.31 C ATOM 303 CG GLU A 406 -4.095 -2.784 13.104 1.00 23.53 C ATOM 304 CD GLU A 406 -4.751 -1.925 14.187 1.00 33.14 C ATOM 305 OE1 GLU A 406 -5.115 -0.768 13.925 1.00 22.35 O ATOM 306 OE2 GLU A 406 -4.880 -2.500 15.335 1.00 0.31 O ATOM 0 H GLU A 406 -6.164 -5.738 11.524 1.00 60.14 H new ATOM 0 HA GLU A 406 -4.315 -3.890 10.430 1.00 62.52 H new ATOM 0 HB2 GLU A 406 -5.886 -3.003 11.922 1.00 21.31 H new ATOM 0 HB3 GLU A 406 -5.652 -4.278 13.101 1.00 21.31 H new ATOM 0 HG2 GLU A 406 -3.336 -3.425 13.553 1.00 23.53 H new ATOM 0 HG3 GLU A 406 -3.585 -2.142 12.385 1.00 23.53 H new ATOM 312 N HIS A 407 -3.134 -5.646 12.961 1.00 33.41 N ATOM 313 CA HIS A 407 -1.918 -6.194 13.537 1.00 35.31 C ATOM 314 C HIS A 407 -1.049 -6.790 12.428 1.00 63.43 C ATOM 315 O HIS A 407 0.177 -6.696 12.477 1.00 22.33 O ATOM 316 CB HIS A 407 -2.244 -7.202 14.641 1.00 14.11 C ATOM 317 CG HIS A 407 -2.966 -8.436 14.151 1.00 72.14 C ATOM 318 ND1 HIS A 407 -4.166 -8.379 13.464 1.00 64.31 N ATOM 319 CD2 HIS A 407 -2.643 -9.757 14.256 1.00 0.41 C ATOM 320 CE1 HIS A 407 -4.540 -9.617 13.175 1.00 12.53 C ATOM 321 NE2 HIS A 407 -3.595 -10.469 13.667 1.00 0.52 N ATOM 0 H HIS A 407 -3.970 -5.772 13.532 1.00 33.41 H new ATOM 0 HA HIS A 407 -1.346 -5.397 14.012 1.00 35.31 H new ATOM 0 HB2 HIS A 407 -1.317 -7.505 15.128 1.00 14.11 H new ATOM 0 HB3 HIS A 407 -2.856 -6.712 15.398 1.00 14.11 H new ATOM 0 HD2 HIS A 407 -1.762 -10.156 14.737 1.00 0.41 H new ATOM 0 HE1 HIS A 407 -5.436 -9.902 12.643 1.00 12.53 H new ATOM 0 HE2 HIS A 407 -3.617 -11.486 13.594 1.00 0.52 H new ATOM 328 N ILE A 408 -1.716 -7.389 11.453 1.00 61.11 N ATOM 329 CA ILE A 408 -1.020 -8.001 10.334 1.00 70.22 C ATOM 330 C ILE A 408 -0.199 -6.935 9.606 1.00 62.15 C ATOM 331 O ILE A 408 1.024 -7.036 9.525 1.00 14.30 O ATOM 332 CB ILE A 408 -2.006 -8.741 9.430 1.00 34.43 C ATOM 333 CG1 ILE A 408 -2.737 -9.843 10.200 1.00 51.12 C ATOM 334 CG2 ILE A 408 -1.306 -9.282 8.182 1.00 31.44 C ATOM 335 CD1 ILE A 408 -3.624 -10.668 9.267 1.00 10.30 C ATOM 0 H ILE A 408 -2.733 -7.464 11.415 1.00 61.11 H new ATOM 0 HA ILE A 408 -0.319 -8.757 10.688 1.00 70.22 H new ATOM 0 HB ILE A 408 -2.760 -8.029 9.094 1.00 34.43 H new ATOM 0 HG12 ILE A 408 -2.011 -10.494 10.687 1.00 51.12 H new ATOM 0 HG13 ILE A 408 -3.346 -9.399 10.988 1.00 51.12 H new ATOM 0 HG21 ILE A 408 -2.030 -9.804 7.556 1.00 31.44 H new ATOM 0 HG22 ILE A 408 -0.871 -8.455 7.621 1.00 31.44 H new ATOM 0 HG23 ILE A 408 -0.517 -9.974 8.478 1.00 31.44 H new ATOM 0 HD11 ILE A 408 -4.132 -11.444 9.840 1.00 10.30 H new ATOM 0 HD12 ILE A 408 -4.364 -10.018 8.800 1.00 10.30 H new ATOM 0 HD13 ILE A 408 -3.009 -11.131 8.495 1.00 10.30 H new ATOM 346 N ALA A 409 -0.904 -5.935 9.095 1.00 2.44 N ATOM 347 CA ALA A 409 -0.256 -4.852 8.377 1.00 42.35 C ATOM 348 C ALA A 409 0.771 -4.181 9.292 1.00 3.42 C ATOM 349 O ALA A 409 1.929 -4.016 8.914 1.00 22.22 O ATOM 350 CB ALA A 409 -1.315 -3.871 7.871 1.00 53.35 C ATOM 0 H ALA A 409 -1.918 -5.853 9.165 1.00 2.44 H new ATOM 0 HA ALA A 409 0.278 -5.234 7.507 1.00 42.35 H new ATOM 0 HB1 ALA A 409 -0.829 -3.058 7.332 1.00 53.35 H new ATOM 0 HB2 ALA A 409 -2.002 -4.390 7.203 1.00 53.35 H new ATOM 0 HB3 ALA A 409 -1.869 -3.465 8.717 1.00 53.35 H new ATOM 356 N LEU A 410 0.308 -3.815 10.479 1.00 32.21 N ATOM 357 CA LEU A 410 1.172 -3.165 11.450 1.00 5.32 C ATOM 358 C LEU A 410 2.473 -3.960 11.579 1.00 71.33 C ATOM 359 O LEU A 410 3.518 -3.398 11.905 1.00 33.54 O ATOM 360 CB LEU A 410 0.435 -2.973 12.777 1.00 73.24 C ATOM 361 CG LEU A 410 -0.835 -2.120 12.721 1.00 23.32 C ATOM 362 CD1 LEU A 410 -1.078 -1.411 14.055 1.00 60.22 C ATOM 363 CD2 LEU A 410 -0.784 -1.137 11.550 1.00 25.04 C ATOM 0 H LEU A 410 -0.653 -3.956 10.790 1.00 32.21 H new ATOM 0 HA LEU A 410 1.441 -2.164 11.113 1.00 5.32 H new ATOM 0 HB2 LEU A 410 0.172 -3.955 13.170 1.00 73.24 H new ATOM 0 HB3 LEU A 410 1.123 -2.519 13.490 1.00 73.24 H new ATOM 0 HG LEU A 410 -1.684 -2.782 12.549 1.00 23.32 H new ATOM 0 HD11 LEU A 410 -1.986 -0.812 13.988 1.00 60.22 H new ATOM 0 HD12 LEU A 410 -1.190 -2.152 14.846 1.00 60.22 H new ATOM 0 HD13 LEU A 410 -0.232 -0.763 14.282 1.00 60.22 H new ATOM 0 HD21 LEU A 410 -1.698 -0.543 11.533 1.00 25.04 H new ATOM 0 HD22 LEU A 410 0.075 -0.477 11.666 1.00 25.04 H new ATOM 0 HD23 LEU A 410 -0.693 -1.690 10.615 1.00 25.04 H new ATOM 374 N ARG A 411 2.367 -5.254 11.319 1.00 34.34 N ATOM 375 CA ARG A 411 3.522 -6.132 11.401 1.00 33.42 C ATOM 376 C ARG A 411 4.411 -5.958 10.167 1.00 15.32 C ATOM 377 O ARG A 411 5.633 -6.073 10.256 1.00 52.44 O ATOM 378 CB ARG A 411 3.095 -7.598 11.509 1.00 70.23 C ATOM 379 CG ARG A 411 4.132 -8.415 12.283 1.00 43.43 C ATOM 380 CD ARG A 411 3.668 -9.862 12.461 1.00 73.12 C ATOM 381 NE ARG A 411 3.436 -10.485 11.138 1.00 43.23 N ATOM 382 CZ ARG A 411 2.806 -11.666 10.957 1.00 62.23 C ATOM 383 NH1 ARG A 411 2.340 -12.361 12.016 1.00 14.04 N ATOM 384 NH2 ARG A 411 2.656 -12.128 9.730 1.00 5.41 N ATOM 0 H ARG A 411 1.498 -5.717 11.051 1.00 34.34 H new ATOM 0 HA ARG A 411 4.080 -5.861 12.297 1.00 33.42 H new ATOM 0 HB2 ARG A 411 2.129 -7.663 12.009 1.00 70.23 H new ATOM 0 HB3 ARG A 411 2.967 -8.018 10.511 1.00 70.23 H new ATOM 0 HG2 ARG A 411 5.084 -8.397 11.752 1.00 43.43 H new ATOM 0 HG3 ARG A 411 4.303 -7.961 13.259 1.00 43.43 H new ATOM 0 HD2 ARG A 411 4.419 -10.428 13.012 1.00 73.12 H new ATOM 0 HD3 ARG A 411 2.752 -9.889 13.051 1.00 73.12 H new ATOM 0 HE ARG A 411 3.773 -9.991 10.311 1.00 43.23 H new ATOM 0 HH11 ARG A 411 2.463 -11.995 12.960 1.00 14.04 H new ATOM 0 HH12 ARG A 411 1.865 -13.252 11.872 1.00 14.04 H new ATOM 0 HH21 ARG A 411 3.013 -11.595 8.937 1.00 5.41 H new ATOM 0 HH22 ARG A 411 2.183 -13.018 9.574 1.00 5.41 H new ATOM 394 N VAL A 412 3.764 -5.683 9.045 1.00 74.23 N ATOM 395 CA VAL A 412 4.480 -5.492 7.795 1.00 72.30 C ATOM 396 C VAL A 412 5.162 -4.123 7.808 1.00 73.34 C ATOM 397 O VAL A 412 6.368 -4.024 7.586 1.00 24.00 O ATOM 398 CB VAL A 412 3.526 -5.673 6.612 1.00 11.33 C ATOM 399 CG1 VAL A 412 4.029 -4.916 5.381 1.00 3.30 C ATOM 400 CG2 VAL A 412 3.319 -7.156 6.297 1.00 41.30 C ATOM 0 H VAL A 412 2.751 -5.588 8.975 1.00 74.23 H new ATOM 0 HA VAL A 412 5.261 -6.244 7.683 1.00 72.30 H new ATOM 0 HB VAL A 412 2.561 -5.252 6.893 1.00 11.33 H new ATOM 0 HG11 VAL A 412 3.333 -5.061 4.555 1.00 3.30 H new ATOM 0 HG12 VAL A 412 4.101 -3.853 5.612 1.00 3.30 H new ATOM 0 HG13 VAL A 412 5.012 -5.294 5.098 1.00 3.30 H new ATOM 0 HG21 VAL A 412 2.637 -7.257 5.453 1.00 41.30 H new ATOM 0 HG22 VAL A 412 4.277 -7.612 6.046 1.00 41.30 H new ATOM 0 HG23 VAL A 412 2.895 -7.657 7.167 1.00 41.30 H new ATOM 410 N ARG A 413 4.362 -3.100 8.071 1.00 51.32 N ATOM 411 CA ARG A 413 4.873 -1.740 8.116 1.00 33.23 C ATOM 412 C ARG A 413 6.292 -1.726 8.688 1.00 31.43 C ATOM 413 O ARG A 413 7.190 -1.112 8.114 1.00 31.23 O ATOM 414 CB ARG A 413 3.976 -0.843 8.970 1.00 73.32 C ATOM 415 CG ARG A 413 2.501 -1.048 8.621 1.00 32.53 C ATOM 416 CD ARG A 413 1.695 0.227 8.874 1.00 64.32 C ATOM 417 NE ARG A 413 2.135 0.861 10.136 1.00 44.13 N ATOM 418 CZ ARG A 413 1.355 1.659 10.894 1.00 54.45 C ATOM 419 NH1 ARG A 413 0.084 1.929 10.523 1.00 5.15 N ATOM 420 NH2 ARG A 413 1.850 2.174 12.004 1.00 65.45 N ATOM 0 H ARG A 413 3.362 -3.186 8.255 1.00 51.32 H new ATOM 0 HA ARG A 413 4.885 -1.355 7.096 1.00 33.23 H new ATOM 0 HB2 ARG A 413 4.137 -1.062 10.026 1.00 73.32 H new ATOM 0 HB3 ARG A 413 4.248 0.201 8.816 1.00 73.32 H new ATOM 0 HG2 ARG A 413 2.408 -1.339 7.575 1.00 32.53 H new ATOM 0 HG3 ARG A 413 2.093 -1.865 9.217 1.00 32.53 H new ATOM 0 HD2 ARG A 413 1.826 0.921 8.044 1.00 64.32 H new ATOM 0 HD3 ARG A 413 0.632 -0.009 8.927 1.00 64.32 H new ATOM 0 HE ARG A 413 3.088 0.684 10.453 1.00 44.13 H new ATOM 0 HH11 ARG A 413 -0.293 1.528 9.664 1.00 5.15 H new ATOM 0 HH12 ARG A 413 -0.499 2.533 11.102 1.00 5.15 H new ATOM 0 HH21 ARG A 413 2.810 1.967 12.278 1.00 65.45 H new ATOM 0 HH22 ARG A 413 1.272 2.779 12.587 1.00 65.45 H new ATOM 430 N GLU A 414 6.450 -2.411 9.811 1.00 22.11 N ATOM 431 CA GLU A 414 7.744 -2.485 10.467 1.00 75.42 C ATOM 432 C GLU A 414 8.719 -3.310 9.626 1.00 31.45 C ATOM 433 O GLU A 414 9.763 -2.811 9.211 1.00 34.40 O ATOM 434 CB GLU A 414 7.612 -3.062 11.877 1.00 45.22 C ATOM 435 CG GLU A 414 6.869 -2.092 12.799 1.00 15.14 C ATOM 436 CD GLU A 414 6.572 -2.742 14.152 1.00 40.33 C ATOM 437 OE1 GLU A 414 7.403 -3.502 14.670 1.00 11.34 O ATOM 438 OE2 GLU A 414 5.432 -2.429 14.669 1.00 21.32 O ATOM 0 H GLU A 414 5.703 -2.920 10.283 1.00 22.11 H new ATOM 0 HA GLU A 414 8.140 -1.474 10.560 1.00 75.42 H new ATOM 0 HB2 GLU A 414 7.079 -4.012 11.837 1.00 45.22 H new ATOM 0 HB3 GLU A 414 8.602 -3.269 12.283 1.00 45.22 H new ATOM 0 HG2 GLU A 414 7.468 -1.194 12.947 1.00 15.14 H new ATOM 0 HG3 GLU A 414 5.937 -1.780 12.329 1.00 15.14 H new ATOM 444 N LYS A 415 8.344 -4.560 9.400 1.00 32.22 N ATOM 445 CA LYS A 415 9.171 -5.461 8.615 1.00 65.21 C ATOM 446 C LYS A 415 9.797 -4.688 7.452 1.00 15.33 C ATOM 447 O LYS A 415 11.017 -4.683 7.289 1.00 14.44 O ATOM 448 CB LYS A 415 8.367 -6.687 8.178 1.00 44.22 C ATOM 449 CG LYS A 415 9.163 -7.973 8.399 1.00 3.22 C ATOM 450 CD LYS A 415 10.536 -7.890 7.731 1.00 20.32 C ATOM 451 CE LYS A 415 10.424 -8.104 6.220 1.00 25.25 C ATOM 452 NZ LYS A 415 10.543 -9.543 5.890 1.00 71.21 N ATOM 0 H LYS A 415 7.477 -4.971 9.747 1.00 32.22 H new ATOM 0 HA LYS A 415 9.991 -5.848 9.220 1.00 65.21 H new ATOM 0 HB2 LYS A 415 7.433 -6.732 8.739 1.00 44.22 H new ATOM 0 HB3 LYS A 415 8.102 -6.596 7.125 1.00 44.22 H new ATOM 0 HG2 LYS A 415 9.285 -8.150 9.468 1.00 3.22 H new ATOM 0 HG3 LYS A 415 8.609 -8.821 7.996 1.00 3.22 H new ATOM 0 HD2 LYS A 415 10.984 -6.917 7.932 1.00 20.32 H new ATOM 0 HD3 LYS A 415 11.199 -8.641 8.160 1.00 20.32 H new ATOM 0 HE2 LYS A 415 9.468 -7.721 5.862 1.00 25.25 H new ATOM 0 HE3 LYS A 415 11.205 -7.542 5.708 1.00 25.25 H new ATOM 0 HZ1 LYS A 415 10.618 -9.658 4.859 1.00 71.21 H new ATOM 0 HZ2 LYS A 415 11.392 -9.934 6.345 1.00 71.21 H new ATOM 0 HZ3 LYS A 415 9.702 -10.049 6.234 1.00 71.21 H new ATOM 461 N LEU A 416 8.933 -4.056 6.672 1.00 51.13 N ATOM 462 CA LEU A 416 9.385 -3.283 5.528 1.00 51.44 C ATOM 463 C LEU A 416 10.644 -2.502 5.911 1.00 14.12 C ATOM 464 O LEU A 416 11.683 -2.640 5.268 1.00 75.34 O ATOM 465 CB LEU A 416 8.252 -2.400 4.996 1.00 4.12 C ATOM 466 CG LEU A 416 7.037 -3.138 4.432 1.00 34.40 C ATOM 467 CD1 LEU A 416 5.925 -2.156 4.058 1.00 51.20 C ATOM 468 CD2 LEU A 416 7.436 -4.027 3.251 1.00 11.13 C ATOM 0 H LEU A 416 7.922 -4.063 6.810 1.00 51.13 H new ATOM 0 HA LEU A 416 9.657 -3.944 4.705 1.00 51.44 H new ATOM 0 HB2 LEU A 416 7.915 -1.750 5.803 1.00 4.12 H new ATOM 0 HB3 LEU A 416 8.656 -1.756 4.215 1.00 4.12 H new ATOM 0 HG LEU A 416 6.642 -3.792 5.210 1.00 34.40 H new ATOM 0 HD11 LEU A 416 5.073 -2.706 3.660 1.00 51.20 H new ATOM 0 HD12 LEU A 416 5.617 -1.601 4.944 1.00 51.20 H new ATOM 0 HD13 LEU A 416 6.293 -1.460 3.304 1.00 51.20 H new ATOM 0 HD21 LEU A 416 6.554 -4.541 2.868 1.00 11.13 H new ATOM 0 HD22 LEU A 416 7.869 -3.412 2.462 1.00 11.13 H new ATOM 0 HD23 LEU A 416 8.170 -4.762 3.581 1.00 11.13 H new ATOM 479 N GLU A 417 10.510 -1.700 6.956 1.00 13.30 N ATOM 480 CA GLU A 417 11.623 -0.898 7.433 1.00 25.43 C ATOM 481 C GLU A 417 12.937 -1.667 7.274 1.00 34.02 C ATOM 482 O GLU A 417 13.943 -1.101 6.848 1.00 44.13 O ATOM 483 CB GLU A 417 11.410 -0.472 8.886 1.00 23.41 C ATOM 484 CG GLU A 417 10.116 0.330 9.038 1.00 25.10 C ATOM 485 CD GLU A 417 10.320 1.530 9.965 1.00 32.23 C ATOM 486 OE1 GLU A 417 11.432 1.735 10.477 1.00 74.24 O ATOM 487 OE2 GLU A 417 9.275 2.264 10.145 1.00 71.25 O ATOM 0 H GLU A 417 9.646 -1.588 7.487 1.00 13.30 H new ATOM 0 HA GLU A 417 11.678 0.007 6.829 1.00 25.43 H new ATOM 0 HB2 GLU A 417 11.373 -1.354 9.526 1.00 23.41 H new ATOM 0 HB3 GLU A 417 12.256 0.129 9.220 1.00 23.41 H new ATOM 0 HG2 GLU A 417 9.781 0.675 8.060 1.00 25.10 H new ATOM 0 HG3 GLU A 417 9.331 -0.312 9.436 1.00 25.10 H new ATOM 493 N ALA A 418 12.885 -2.943 7.622 1.00 11.43 N ATOM 494 CA ALA A 418 14.058 -3.795 7.523 1.00 30.11 C ATOM 495 C ALA A 418 14.638 -3.694 6.111 1.00 72.14 C ATOM 496 O ALA A 418 15.820 -3.393 5.942 1.00 12.41 O ATOM 497 CB ALA A 418 13.680 -5.230 7.896 1.00 1.03 C ATOM 0 H ALA A 418 12.048 -3.409 7.973 1.00 11.43 H new ATOM 0 HA ALA A 418 14.829 -3.469 8.221 1.00 30.11 H new ATOM 0 HB1 ALA A 418 14.560 -5.869 7.822 1.00 1.03 H new ATOM 0 HB2 ALA A 418 13.300 -5.252 8.918 1.00 1.03 H new ATOM 0 HB3 ALA A 418 12.910 -5.592 7.215 1.00 1.03 H new ATOM 503 N LEU A 419 13.783 -3.951 5.133 1.00 3.20 N ATOM 504 CA LEU A 419 14.196 -3.892 3.741 1.00 12.23 C ATOM 505 C LEU A 419 14.551 -2.448 3.380 1.00 1.03 C ATOM 506 O LEU A 419 15.579 -2.197 2.753 1.00 61.44 O ATOM 507 CB LEU A 419 13.124 -4.506 2.837 1.00 45.15 C ATOM 508 CG LEU A 419 12.640 -5.904 3.227 1.00 14.40 C ATOM 509 CD1 LEU A 419 11.124 -6.026 3.056 1.00 53.15 C ATOM 510 CD2 LEU A 419 13.393 -6.982 2.447 1.00 60.23 C ATOM 0 H LEU A 419 12.805 -4.201 5.277 1.00 3.20 H new ATOM 0 HA LEU A 419 15.093 -4.491 3.584 1.00 12.23 H new ATOM 0 HB2 LEU A 419 12.264 -3.837 2.820 1.00 45.15 H new ATOM 0 HB3 LEU A 419 13.515 -4.549 1.820 1.00 45.15 H new ATOM 0 HG LEU A 419 12.859 -6.059 4.283 1.00 14.40 H new ATOM 0 HD11 LEU A 419 10.805 -7.029 3.340 1.00 53.15 H new ATOM 0 HD12 LEU A 419 10.626 -5.294 3.692 1.00 53.15 H new ATOM 0 HD13 LEU A 419 10.859 -5.842 2.015 1.00 53.15 H new ATOM 0 HD21 LEU A 419 13.030 -7.966 2.743 1.00 60.23 H new ATOM 0 HD22 LEU A 419 13.228 -6.841 1.379 1.00 60.23 H new ATOM 0 HD23 LEU A 419 14.459 -6.909 2.662 1.00 60.23 H new ATOM 521 N GLY A 420 13.683 -1.537 3.793 1.00 3.13 N ATOM 522 CA GLY A 420 13.893 -0.125 3.520 1.00 30.13 C ATOM 523 C GLY A 420 12.616 0.678 3.776 1.00 52.20 C ATOM 524 O GLY A 420 12.545 1.453 4.729 1.00 74.40 O ATOM 0 H GLY A 420 12.832 -1.749 4.315 1.00 3.13 H new ATOM 0 HA2 GLY A 420 14.698 0.255 4.149 1.00 30.13 H new ATOM 0 HA3 GLY A 420 14.208 0.006 2.485 1.00 30.13 H new ATOM 528 N VAL A 421 11.637 0.466 2.907 1.00 40.01 N ATOM 529 CA VAL A 421 10.367 1.161 3.027 1.00 51.44 C ATOM 530 C VAL A 421 9.980 1.255 4.504 1.00 52.44 C ATOM 531 O VAL A 421 10.132 0.293 5.254 1.00 35.23 O ATOM 532 CB VAL A 421 9.305 0.461 2.174 1.00 64.43 C ATOM 533 CG1 VAL A 421 9.551 -1.049 2.124 1.00 73.43 C ATOM 534 CG2 VAL A 421 7.899 0.771 2.689 1.00 11.12 C ATOM 0 H VAL A 421 11.699 -0.177 2.118 1.00 40.01 H new ATOM 0 HA VAL A 421 10.451 2.179 2.647 1.00 51.44 H new ATOM 0 HB VAL A 421 9.382 0.847 1.157 1.00 64.43 H new ATOM 0 HG11 VAL A 421 8.783 -1.523 1.512 1.00 73.43 H new ATOM 0 HG12 VAL A 421 10.532 -1.244 1.690 1.00 73.43 H new ATOM 0 HG13 VAL A 421 9.513 -1.457 3.134 1.00 73.43 H new ATOM 0 HG21 VAL A 421 7.163 0.262 2.066 1.00 11.12 H new ATOM 0 HG22 VAL A 421 7.804 0.426 3.718 1.00 11.12 H new ATOM 0 HG23 VAL A 421 7.726 1.846 2.650 1.00 11.12 H new ATOM 544 N PRO A 422 9.472 2.457 4.889 1.00 31.11 N ATOM 545 CA PRO A 422 9.063 2.691 6.263 1.00 55.25 C ATOM 546 C PRO A 422 7.734 1.995 6.565 1.00 31.11 C ATOM 547 O PRO A 422 7.296 1.131 5.806 1.00 44.54 O ATOM 548 CB PRO A 422 8.984 4.203 6.399 1.00 43.25 C ATOM 549 CG PRO A 422 8.900 4.746 4.980 1.00 65.42 C ATOM 550 CD PRO A 422 9.277 3.621 4.030 1.00 75.31 C ATOM 0 HA PRO A 422 9.764 2.275 6.987 1.00 55.25 H new ATOM 0 HB2 PRO A 422 8.111 4.498 6.982 1.00 43.25 H new ATOM 0 HB3 PRO A 422 9.860 4.595 6.916 1.00 43.25 H new ATOM 0 HG2 PRO A 422 7.893 5.105 4.767 1.00 65.42 H new ATOM 0 HG3 PRO A 422 9.573 5.594 4.855 1.00 65.42 H new ATOM 0 HD2 PRO A 422 8.491 3.443 3.296 1.00 75.31 H new ATOM 0 HD3 PRO A 422 10.184 3.859 3.475 1.00 75.31 H new ATOM 555 N ASP A 423 7.130 2.397 7.673 1.00 51.35 N ATOM 556 CA ASP A 423 5.859 1.824 8.085 1.00 21.53 C ATOM 557 C ASP A 423 4.822 2.052 6.984 1.00 5.43 C ATOM 558 O ASP A 423 4.069 1.142 6.637 1.00 51.14 O ATOM 559 CB ASP A 423 5.345 2.484 9.364 1.00 64.32 C ATOM 560 CG ASP A 423 5.452 4.010 9.394 1.00 34.43 C ATOM 561 OD1 ASP A 423 6.466 4.571 9.835 1.00 1.33 O ATOM 562 OD2 ASP A 423 4.424 4.637 8.929 1.00 23.21 O ATOM 0 H ASP A 423 7.497 3.113 8.299 1.00 51.35 H new ATOM 0 HA ASP A 423 6.012 0.760 8.266 1.00 21.53 H new ATOM 0 HB2 ASP A 423 4.300 2.206 9.504 1.00 64.32 H new ATOM 0 HB3 ASP A 423 5.899 2.080 10.211 1.00 64.32 H new ATOM 567 N GLY A 424 4.815 3.270 6.466 1.00 55.41 N ATOM 568 CA GLY A 424 3.880 3.630 5.412 1.00 51.15 C ATOM 569 C GLY A 424 2.511 3.993 5.993 1.00 32.04 C ATOM 570 O GLY A 424 2.282 5.135 6.385 1.00 23.13 O ATOM 0 H GLY A 424 5.441 4.021 6.756 1.00 55.41 H new ATOM 0 HA2 GLY A 424 4.273 4.473 4.845 1.00 51.15 H new ATOM 0 HA3 GLY A 424 3.774 2.799 4.715 1.00 51.15 H new ATOM 574 N ALA A 425 1.638 2.996 6.028 1.00 41.55 N ATOM 575 CA ALA A 425 0.298 3.196 6.555 1.00 34.12 C ATOM 576 C ALA A 425 -0.606 2.059 6.077 1.00 3.23 C ATOM 577 O ALA A 425 -0.150 1.139 5.400 1.00 61.20 O ATOM 578 CB ALA A 425 -0.218 4.571 6.127 1.00 5.42 C ATOM 0 H ALA A 425 1.832 2.050 5.701 1.00 41.55 H new ATOM 0 HA ALA A 425 0.306 3.176 7.645 1.00 34.12 H new ATOM 0 HB1 ALA A 425 -1.223 4.722 6.522 1.00 5.42 H new ATOM 0 HB2 ALA A 425 0.444 5.345 6.515 1.00 5.42 H new ATOM 0 HB3 ALA A 425 -0.244 4.627 5.039 1.00 5.42 H new ATOM 584 N THR A 426 -1.874 2.157 6.448 1.00 10.33 N ATOM 585 CA THR A 426 -2.848 1.148 6.067 1.00 31.34 C ATOM 586 C THR A 426 -4.235 1.775 5.919 1.00 12.43 C ATOM 587 O THR A 426 -4.576 2.714 6.636 1.00 10.01 O ATOM 588 CB THR A 426 -2.795 0.024 7.104 1.00 64.42 C ATOM 589 OG1 THR A 426 -3.537 0.534 8.207 1.00 54.25 O ATOM 590 CG2 THR A 426 -1.388 -0.187 7.667 1.00 4.42 C ATOM 0 H THR A 426 -2.250 2.921 7.009 1.00 10.33 H new ATOM 0 HA THR A 426 -2.614 0.720 5.092 1.00 31.34 H new ATOM 0 HB THR A 426 -3.148 -0.903 6.653 1.00 64.42 H new ATOM 0 HG1 THR A 426 -3.555 -0.132 8.925 1.00 54.25 H new ATOM 0 HG21 THR A 426 -1.406 -0.995 8.398 1.00 4.42 H new ATOM 0 HG22 THR A 426 -0.707 -0.446 6.856 1.00 4.42 H new ATOM 0 HG23 THR A 426 -1.047 0.730 8.148 1.00 4.42 H new ATOM 598 N PHE A 427 -4.999 1.228 4.986 1.00 14.15 N ATOM 599 CA PHE A 427 -6.344 1.721 4.735 1.00 61.14 C ATOM 600 C PHE A 427 -7.389 0.648 5.046 1.00 34.40 C ATOM 601 O PHE A 427 -7.726 -0.164 4.185 1.00 61.34 O ATOM 602 CB PHE A 427 -6.420 2.074 3.247 1.00 45.31 C ATOM 603 CG PHE A 427 -7.467 3.140 2.915 1.00 21.52 C ATOM 604 CD1 PHE A 427 -8.421 3.464 3.826 1.00 63.23 C ATOM 605 CD2 PHE A 427 -7.442 3.762 1.705 1.00 61.32 C ATOM 606 CE1 PHE A 427 -9.393 4.453 3.518 1.00 21.53 C ATOM 607 CE2 PHE A 427 -8.412 4.752 1.397 1.00 10.44 C ATOM 608 CZ PHE A 427 -9.367 5.076 2.309 1.00 61.31 C ATOM 0 H PHE A 427 -4.713 0.448 4.394 1.00 14.15 H new ATOM 0 HA PHE A 427 -6.549 2.583 5.370 1.00 61.14 H new ATOM 0 HB2 PHE A 427 -5.442 2.424 2.916 1.00 45.31 H new ATOM 0 HB3 PHE A 427 -6.644 1.170 2.680 1.00 45.31 H new ATOM 0 HD1 PHE A 427 -8.441 2.969 4.786 1.00 63.23 H new ATOM 0 HD2 PHE A 427 -6.685 3.503 0.980 1.00 61.32 H new ATOM 0 HE1 PHE A 427 -10.152 4.710 4.243 1.00 21.53 H new ATOM 0 HE2 PHE A 427 -8.391 5.248 0.438 1.00 10.44 H new ATOM 0 HZ PHE A 427 -10.105 5.828 2.073 1.00 61.31 H new ATOM 823 N GLN A 443 -6.789 7.342 -3.457 1.00 13.11 N ATOM 824 CA GLN A 443 -5.967 7.932 -4.501 1.00 63.23 C ATOM 825 C GLN A 443 -4.920 8.864 -3.889 1.00 70.22 C ATOM 826 O GLN A 443 -3.877 9.113 -4.491 1.00 12.53 O ATOM 827 CB GLN A 443 -6.830 8.675 -5.524 1.00 1.34 C ATOM 828 CG GLN A 443 -7.155 10.091 -5.043 1.00 44.54 C ATOM 829 CD GLN A 443 -7.982 10.848 -6.084 1.00 24.54 C ATOM 830 OE1 GLN A 443 -9.035 11.394 -5.799 1.00 35.42 O ATOM 831 NE2 GLN A 443 -7.446 10.849 -7.302 1.00 43.54 N ATOM 0 HA GLN A 443 -5.449 7.129 -5.025 1.00 63.23 H new ATOM 0 HB2 GLN A 443 -6.307 8.723 -6.479 1.00 1.34 H new ATOM 0 HB3 GLN A 443 -7.755 8.124 -5.694 1.00 1.34 H new ATOM 0 HG2 GLN A 443 -7.704 10.042 -4.103 1.00 44.54 H new ATOM 0 HG3 GLN A 443 -6.230 10.633 -4.844 1.00 44.54 H new ATOM 0 HE21 GLN A 443 -6.561 10.371 -7.470 1.00 43.54 H new ATOM 0 HE22 GLN A 443 -7.921 11.328 -8.068 1.00 43.54 H new ATOM 838 N ASP A 444 -5.234 9.353 -2.698 1.00 64.34 N ATOM 839 CA ASP A 444 -4.332 10.252 -1.998 1.00 41.20 C ATOM 840 C ASP A 444 -3.012 9.529 -1.719 1.00 52.31 C ATOM 841 O ASP A 444 -1.988 10.169 -1.482 1.00 34.23 O ATOM 842 CB ASP A 444 -4.924 10.690 -0.655 1.00 32.53 C ATOM 843 CG ASP A 444 -5.758 11.971 -0.703 1.00 22.44 C ATOM 844 OD1 ASP A 444 -6.821 12.065 -0.070 1.00 73.42 O ATOM 845 OD2 ASP A 444 -5.269 12.913 -1.437 1.00 30.24 O ATOM 0 H ASP A 444 -6.100 9.144 -2.201 1.00 64.34 H new ATOM 0 HA ASP A 444 -4.174 11.128 -2.627 1.00 41.20 H new ATOM 0 HB2 ASP A 444 -5.547 9.883 -0.269 1.00 32.53 H new ATOM 0 HB3 ASP A 444 -4.109 10.831 0.055 1.00 32.53 H new ATOM 850 N ALA A 445 -3.079 8.207 -1.757 1.00 34.22 N ATOM 851 CA ALA A 445 -1.903 7.390 -1.513 1.00 71.41 C ATOM 852 C ALA A 445 -1.119 7.229 -2.817 1.00 40.55 C ATOM 853 O ALA A 445 0.110 7.185 -2.806 1.00 11.33 O ATOM 854 CB ALA A 445 -2.329 6.046 -0.919 1.00 72.01 C ATOM 0 H ALA A 445 -3.930 7.681 -1.953 1.00 34.22 H new ATOM 0 HA ALA A 445 -1.245 7.872 -0.790 1.00 71.41 H new ATOM 0 HB1 ALA A 445 -1.446 5.433 -0.736 1.00 72.01 H new ATOM 0 HB2 ALA A 445 -2.855 6.214 0.021 1.00 72.01 H new ATOM 0 HB3 ALA A 445 -2.989 5.532 -1.618 1.00 72.01 H new ATOM 860 N ILE A 446 -1.863 7.146 -3.911 1.00 71.54 N ATOM 861 CA ILE A 446 -1.252 6.991 -5.221 1.00 2.21 C ATOM 862 C ILE A 446 -0.394 8.220 -5.528 1.00 3.42 C ATOM 863 O ILE A 446 0.538 8.145 -6.326 1.00 54.31 O ATOM 864 CB ILE A 446 -2.321 6.709 -6.279 1.00 24.44 C ATOM 865 CG1 ILE A 446 -2.712 5.229 -6.281 1.00 44.32 C ATOM 866 CG2 ILE A 446 -1.863 7.181 -7.660 1.00 74.53 C ATOM 867 CD1 ILE A 446 -3.520 4.877 -7.531 1.00 1.10 C ATOM 0 H ILE A 446 -2.882 7.183 -3.917 1.00 71.54 H new ATOM 0 HA ILE A 446 -0.588 6.127 -5.232 1.00 2.21 H new ATOM 0 HB ILE A 446 -3.214 7.279 -6.023 1.00 24.44 H new ATOM 0 HG12 ILE A 446 -1.814 4.612 -6.238 1.00 44.32 H new ATOM 0 HG13 ILE A 446 -3.297 5.003 -5.390 1.00 44.32 H new ATOM 0 HG21 ILE A 446 -2.641 6.969 -8.393 1.00 74.53 H new ATOM 0 HG22 ILE A 446 -1.673 8.254 -7.633 1.00 74.53 H new ATOM 0 HG23 ILE A 446 -0.949 6.657 -7.939 1.00 74.53 H new ATOM 0 HD11 ILE A 446 -3.785 3.820 -7.507 1.00 1.10 H new ATOM 0 HD12 ILE A 446 -4.429 5.478 -7.558 1.00 1.10 H new ATOM 0 HD13 ILE A 446 -2.923 5.082 -8.420 1.00 1.10 H new ATOM 878 N ASP A 447 -0.738 9.321 -4.875 1.00 14.21 N ATOM 879 CA ASP A 447 -0.009 10.563 -5.069 1.00 45.33 C ATOM 880 C ASP A 447 0.930 10.789 -3.882 1.00 2.45 C ATOM 881 O ASP A 447 2.141 10.914 -4.059 1.00 75.14 O ATOM 882 CB ASP A 447 -0.965 11.755 -5.147 1.00 4.44 C ATOM 883 CG ASP A 447 -0.415 12.978 -5.883 1.00 51.04 C ATOM 884 OD1 ASP A 447 0.681 12.935 -6.461 1.00 71.41 O ATOM 885 OD2 ASP A 447 -1.171 14.022 -5.846 1.00 2.11 O ATOM 0 H ASP A 447 -1.511 9.379 -4.212 1.00 14.21 H new ATOM 0 HA ASP A 447 0.549 10.485 -6.002 1.00 45.33 H new ATOM 0 HB2 ASP A 447 -1.882 11.434 -5.641 1.00 4.44 H new ATOM 0 HB3 ASP A 447 -1.236 12.051 -4.134 1.00 4.44 H new ATOM 890 N HIS A 448 0.337 10.831 -2.698 1.00 51.10 N ATOM 891 CA HIS A 448 1.106 11.039 -1.483 1.00 22.02 C ATOM 892 C HIS A 448 2.049 9.854 -1.264 1.00 45.10 C ATOM 893 O HIS A 448 3.257 10.035 -1.120 1.00 43.33 O ATOM 894 CB HIS A 448 0.180 11.288 -0.290 1.00 34.43 C ATOM 895 CG HIS A 448 -0.866 12.349 -0.537 1.00 63.41 C ATOM 896 ND1 HIS A 448 -2.026 12.446 0.212 1.00 1.41 N ATOM 897 CD2 HIS A 448 -0.914 13.358 -1.454 1.00 2.31 C ATOM 898 CE1 HIS A 448 -2.734 13.469 -0.244 1.00 23.12 C ATOM 899 NE2 HIS A 448 -2.043 14.032 -1.276 1.00 14.11 N ATOM 0 H HIS A 448 -0.667 10.725 -2.554 1.00 51.10 H new ATOM 0 HA HIS A 448 1.720 11.934 -1.585 1.00 22.02 H new ATOM 0 HB2 HIS A 448 -0.318 10.355 -0.029 1.00 34.43 H new ATOM 0 HB3 HIS A 448 0.783 11.579 0.570 1.00 34.43 H new ATOM 0 HD2 HIS A 448 -0.161 13.572 -2.198 1.00 2.31 H new ATOM 0 HE1 HIS A 448 -3.690 13.799 0.135 1.00 23.12 H new ATOM 0 HE2 HIS A 448 -2.345 14.839 -1.822 1.00 14.11 H new ATOM 906 N SER A 449 1.461 8.666 -1.244 1.00 54.43 N ATOM 907 CA SER A 449 2.233 7.452 -1.045 1.00 3.43 C ATOM 908 C SER A 449 2.902 7.037 -2.356 1.00 74.23 C ATOM 909 O SER A 449 2.417 7.367 -3.437 1.00 64.25 O ATOM 910 CB SER A 449 1.351 6.319 -0.517 1.00 24.14 C ATOM 911 OG SER A 449 0.282 6.805 0.291 1.00 74.45 O ATOM 0 H SER A 449 0.459 8.519 -1.362 1.00 54.43 H new ATOM 0 HA SER A 449 3.003 7.654 -0.300 1.00 3.43 H new ATOM 0 HB2 SER A 449 0.943 5.756 -1.357 1.00 24.14 H new ATOM 0 HB3 SER A 449 1.960 5.627 0.065 1.00 24.14 H new ATOM 0 HG SER A 449 -0.057 6.079 0.855 1.00 74.45 H new ATOM 916 N ALA A 450 4.007 6.318 -2.219 1.00 62.14 N ATOM 917 CA ALA A 450 4.749 5.853 -3.378 1.00 11.44 C ATOM 918 C ALA A 450 3.898 4.844 -4.152 1.00 4.25 C ATOM 919 O ALA A 450 3.352 5.166 -5.206 1.00 22.35 O ATOM 920 CB ALA A 450 6.086 5.263 -2.928 1.00 44.55 C ATOM 0 H ALA A 450 4.407 6.046 -1.321 1.00 62.14 H new ATOM 0 HA ALA A 450 4.969 6.683 -4.049 1.00 11.44 H new ATOM 0 HB1 ALA A 450 6.641 4.915 -3.799 1.00 44.55 H new ATOM 0 HB2 ALA A 450 6.665 6.028 -2.410 1.00 44.55 H new ATOM 0 HB3 ALA A 450 5.906 4.426 -2.254 1.00 44.55 H new ATOM 926 N PHE A 451 3.810 3.644 -3.597 1.00 22.13 N ATOM 927 CA PHE A 451 3.034 2.585 -4.221 1.00 2.44 C ATOM 928 C PHE A 451 1.990 2.028 -3.253 1.00 2.41 C ATOM 929 O PHE A 451 2.281 1.806 -2.078 1.00 73.13 O ATOM 930 CB PHE A 451 4.015 1.471 -4.590 1.00 73.24 C ATOM 931 CG PHE A 451 5.309 1.971 -5.238 1.00 72.41 C ATOM 932 CD1 PHE A 451 6.272 2.551 -4.474 1.00 23.34 C ATOM 933 CD2 PHE A 451 5.495 1.834 -6.578 1.00 31.13 C ATOM 934 CE1 PHE A 451 7.472 3.014 -5.074 1.00 71.51 C ATOM 935 CE2 PHE A 451 6.695 2.298 -7.179 1.00 64.42 C ATOM 936 CZ PHE A 451 7.658 2.879 -6.414 1.00 31.23 C ATOM 0 H PHE A 451 4.263 3.381 -2.722 1.00 22.13 H new ATOM 0 HA PHE A 451 2.510 2.972 -5.095 1.00 2.44 H new ATOM 0 HB2 PHE A 451 4.265 0.908 -3.691 1.00 73.24 H new ATOM 0 HB3 PHE A 451 3.523 0.779 -5.273 1.00 73.24 H new ATOM 0 HD1 PHE A 451 6.124 2.660 -3.410 1.00 23.34 H new ATOM 0 HD2 PHE A 451 4.730 1.372 -7.185 1.00 31.13 H new ATOM 0 HE1 PHE A 451 8.237 3.474 -4.466 1.00 71.51 H new ATOM 0 HE2 PHE A 451 6.843 2.190 -8.243 1.00 64.42 H new ATOM 0 HZ PHE A 451 8.570 3.233 -6.871 1.00 31.23 H new ATOM 945 N ILE A 452 0.792 1.817 -3.781 1.00 52.24 N ATOM 946 CA ILE A 452 -0.298 1.290 -2.979 1.00 62.31 C ATOM 947 C ILE A 452 -0.094 -0.213 -2.774 1.00 51.41 C ATOM 948 O ILE A 452 0.158 -0.944 -3.731 1.00 42.11 O ATOM 949 CB ILE A 452 -1.647 1.647 -3.606 1.00 61.04 C ATOM 950 CG1 ILE A 452 -1.671 3.110 -4.059 1.00 24.34 C ATOM 951 CG2 ILE A 452 -2.798 1.323 -2.652 1.00 12.01 C ATOM 952 CD1 ILE A 452 -1.399 4.051 -2.882 1.00 13.32 C ATOM 0 H ILE A 452 0.553 2.002 -4.755 1.00 52.24 H new ATOM 0 HA ILE A 452 -0.300 1.750 -1.991 1.00 62.31 H new ATOM 0 HB ILE A 452 -1.784 1.032 -4.496 1.00 61.04 H new ATOM 0 HG12 ILE A 452 -0.922 3.267 -4.836 1.00 24.34 H new ATOM 0 HG13 ILE A 452 -2.641 3.343 -4.499 1.00 24.34 H new ATOM 0 HG21 ILE A 452 -3.745 1.586 -3.122 1.00 12.01 H new ATOM 0 HG22 ILE A 452 -2.791 0.258 -2.422 1.00 12.01 H new ATOM 0 HG23 ILE A 452 -2.679 1.894 -1.731 1.00 12.01 H new ATOM 0 HD11 ILE A 452 -1.421 5.084 -3.229 1.00 13.32 H new ATOM 0 HD12 ILE A 452 -2.163 3.908 -2.118 1.00 13.32 H new ATOM 0 HD13 ILE A 452 -0.418 3.831 -2.460 1.00 13.32 H new ATOM 963 N ILE A 453 -0.212 -0.629 -1.522 1.00 71.03 N ATOM 964 CA ILE A 453 -0.044 -2.031 -1.179 1.00 15.11 C ATOM 965 C ILE A 453 -1.409 -2.637 -0.850 1.00 21.44 C ATOM 966 O ILE A 453 -2.104 -2.163 0.046 1.00 42.23 O ATOM 967 CB ILE A 453 0.985 -2.189 -0.058 1.00 33.51 C ATOM 968 CG1 ILE A 453 2.404 -2.278 -0.627 1.00 23.11 C ATOM 969 CG2 ILE A 453 0.648 -3.387 0.831 1.00 73.41 C ATOM 970 CD1 ILE A 453 3.444 -1.914 0.435 1.00 54.22 C ATOM 0 H ILE A 453 -0.422 -0.019 -0.732 1.00 71.03 H new ATOM 0 HA ILE A 453 0.356 -2.586 -2.028 1.00 15.11 H new ATOM 0 HB ILE A 453 0.945 -1.300 0.572 1.00 33.51 H new ATOM 0 HG12 ILE A 453 2.590 -3.288 -0.993 1.00 23.11 H new ATOM 0 HG13 ILE A 453 2.500 -1.607 -1.481 1.00 23.11 H new ATOM 0 HG21 ILE A 453 1.395 -3.477 1.620 1.00 73.41 H new ATOM 0 HG22 ILE A 453 -0.336 -3.243 1.278 1.00 73.41 H new ATOM 0 HG23 ILE A 453 0.644 -4.296 0.230 1.00 73.41 H new ATOM 0 HD11 ILE A 453 4.443 -1.985 0.005 1.00 54.22 H new ATOM 0 HD12 ILE A 453 3.270 -0.895 0.781 1.00 54.22 H new ATOM 0 HD13 ILE A 453 3.361 -2.602 1.276 1.00 54.22 H new ATOM 981 N LEU A 454 -1.752 -3.679 -1.593 1.00 33.13 N ATOM 982 CA LEU A 454 -3.023 -4.357 -1.391 1.00 64.44 C ATOM 983 C LEU A 454 -2.793 -5.624 -0.566 1.00 22.22 C ATOM 984 O LEU A 454 -2.368 -6.649 -1.098 1.00 13.22 O ATOM 985 CB LEU A 454 -3.711 -4.613 -2.733 1.00 14.23 C ATOM 986 CG LEU A 454 -3.483 -3.558 -3.816 1.00 14.43 C ATOM 987 CD1 LEU A 454 -4.335 -3.848 -5.053 1.00 1.42 C ATOM 988 CD2 LEU A 454 -3.726 -2.149 -3.271 1.00 73.21 C ATOM 0 H LEU A 454 -1.173 -4.071 -2.336 1.00 33.13 H new ATOM 0 HA LEU A 454 -3.707 -3.726 -0.823 1.00 64.44 H new ATOM 0 HB2 LEU A 454 -3.372 -5.576 -3.115 1.00 14.23 H new ATOM 0 HB3 LEU A 454 -4.783 -4.699 -2.558 1.00 14.23 H new ATOM 0 HG LEU A 454 -2.439 -3.608 -4.125 1.00 14.43 H new ATOM 0 HD11 LEU A 454 -4.153 -3.083 -5.807 1.00 1.42 H new ATOM 0 HD12 LEU A 454 -4.070 -4.825 -5.456 1.00 1.42 H new ATOM 0 HD13 LEU A 454 -5.390 -3.843 -4.778 1.00 1.42 H new ATOM 0 HD21 LEU A 454 -3.557 -1.419 -4.062 1.00 73.21 H new ATOM 0 HD22 LEU A 454 -4.754 -2.068 -2.916 1.00 73.21 H new ATOM 0 HD23 LEU A 454 -3.041 -1.955 -2.446 1.00 73.21 H new ATOM 999 N LEU A 455 -3.084 -5.515 0.723 1.00 54.34 N ATOM 1000 CA LEU A 455 -2.915 -6.638 1.626 1.00 3.44 C ATOM 1001 C LEU A 455 -3.882 -7.756 1.230 1.00 2.31 C ATOM 1002 O LEU A 455 -4.958 -7.887 1.813 1.00 2.32 O ATOM 1003 CB LEU A 455 -3.065 -6.184 3.080 1.00 23.41 C ATOM 1004 CG LEU A 455 -2.280 -6.990 4.119 1.00 74.00 C ATOM 1005 CD1 LEU A 455 -0.847 -7.240 3.650 1.00 35.44 C ATOM 1006 CD2 LEU A 455 -2.326 -6.311 5.488 1.00 31.31 C ATOM 0 H LEU A 455 -3.436 -4.664 1.162 1.00 54.34 H new ATOM 0 HA LEU A 455 -1.906 -7.043 1.544 1.00 3.44 H new ATOM 0 HB2 LEU A 455 -2.755 -5.141 3.148 1.00 23.41 H new ATOM 0 HB3 LEU A 455 -4.122 -6.220 3.344 1.00 23.41 H new ATOM 0 HG LEU A 455 -2.757 -7.964 4.227 1.00 74.00 H new ATOM 0 HD11 LEU A 455 -0.312 -7.814 4.406 1.00 35.44 H new ATOM 0 HD12 LEU A 455 -0.863 -7.798 2.714 1.00 35.44 H new ATOM 0 HD13 LEU A 455 -0.343 -6.286 3.495 1.00 35.44 H new ATOM 0 HD21 LEU A 455 -1.761 -6.904 6.207 1.00 31.31 H new ATOM 0 HD22 LEU A 455 -1.889 -5.315 5.415 1.00 31.31 H new ATOM 0 HD23 LEU A 455 -3.361 -6.229 5.819 1.00 31.31 H new ATOM 1017 N LEU A 456 -3.466 -8.532 0.241 1.00 24.15 N ATOM 1018 CA LEU A 456 -4.281 -9.634 -0.240 1.00 52.11 C ATOM 1019 C LEU A 456 -4.483 -10.645 0.890 1.00 12.52 C ATOM 1020 O LEU A 456 -3.686 -11.568 1.054 1.00 54.15 O ATOM 1021 CB LEU A 456 -3.671 -10.240 -1.505 1.00 30.22 C ATOM 1022 CG LEU A 456 -3.522 -9.295 -2.698 1.00 51.20 C ATOM 1023 CD1 LEU A 456 -3.436 -10.076 -4.010 1.00 75.10 C ATOM 1024 CD2 LEU A 456 -4.649 -8.260 -2.721 1.00 41.35 C ATOM 0 H LEU A 456 -2.574 -8.419 -0.241 1.00 24.15 H new ATOM 0 HA LEU A 456 -5.269 -9.278 -0.530 1.00 52.11 H new ATOM 0 HB2 LEU A 456 -2.687 -10.636 -1.256 1.00 30.22 H new ATOM 0 HB3 LEU A 456 -4.286 -11.086 -1.812 1.00 30.22 H new ATOM 0 HG LEU A 456 -2.585 -8.750 -2.586 1.00 51.20 H new ATOM 0 HD11 LEU A 456 -3.331 -9.380 -4.842 1.00 75.10 H new ATOM 0 HD12 LEU A 456 -2.573 -10.741 -3.982 1.00 75.10 H new ATOM 0 HD13 LEU A 456 -4.343 -10.665 -4.143 1.00 75.10 H new ATOM 0 HD21 LEU A 456 -4.520 -7.600 -3.579 1.00 41.35 H new ATOM 0 HD22 LEU A 456 -5.610 -8.770 -2.797 1.00 41.35 H new ATOM 0 HD23 LEU A 456 -4.622 -7.672 -1.804 1.00 41.35 H new ATOM 1035 N THR A 457 -5.555 -10.438 1.642 1.00 61.14 N ATOM 1036 CA THR A 457 -5.872 -11.319 2.753 1.00 43.00 C ATOM 1037 C THR A 457 -7.287 -11.882 2.601 1.00 71.53 C ATOM 1038 O THR A 457 -8.148 -11.248 1.992 1.00 11.25 O ATOM 1039 CB THR A 457 -5.665 -10.538 4.051 1.00 51.05 C ATOM 1040 OG1 THR A 457 -6.686 -9.545 4.025 1.00 44.21 O ATOM 1041 CG2 THR A 457 -4.363 -9.735 4.050 1.00 53.32 C ATOM 0 H THR A 457 -6.215 -9.673 1.503 1.00 61.14 H new ATOM 0 HA THR A 457 -5.211 -12.186 2.770 1.00 43.00 H new ATOM 0 HB THR A 457 -5.664 -11.229 4.894 1.00 51.05 H new ATOM 0 HG1 THR A 457 -6.626 -8.993 4.833 1.00 44.21 H new ATOM 0 HG21 THR A 457 -4.265 -9.199 4.994 1.00 53.32 H new ATOM 0 HG22 THR A 457 -3.518 -10.412 3.928 1.00 53.32 H new ATOM 0 HG23 THR A 457 -4.377 -9.020 3.227 1.00 53.32 H new ATOM 1049 N SER A 458 -7.483 -13.064 3.164 1.00 15.42 N ATOM 1050 CA SER A 458 -8.779 -13.719 3.099 1.00 75.32 C ATOM 1051 C SER A 458 -9.834 -12.861 3.798 1.00 45.34 C ATOM 1052 O SER A 458 -11.032 -13.095 3.646 1.00 15.43 O ATOM 1053 CB SER A 458 -8.725 -15.112 3.728 1.00 45.22 C ATOM 1054 OG SER A 458 -9.969 -15.797 3.614 1.00 24.02 O ATOM 0 H SER A 458 -6.766 -13.586 3.668 1.00 15.42 H new ATOM 0 HA SER A 458 -9.051 -13.835 2.050 1.00 75.32 H new ATOM 0 HB2 SER A 458 -7.943 -15.698 3.245 1.00 45.22 H new ATOM 0 HB3 SER A 458 -8.454 -15.025 4.780 1.00 45.22 H new ATOM 0 HG SER A 458 -10.699 -15.145 3.574 1.00 24.02 H new ATOM 1059 N ASN A 459 -9.352 -11.883 4.552 1.00 32.12 N ATOM 1060 CA ASN A 459 -10.238 -10.989 5.277 1.00 53.32 C ATOM 1061 C ASN A 459 -10.511 -9.747 4.424 1.00 25.23 C ATOM 1062 O ASN A 459 -11.515 -9.065 4.619 1.00 75.12 O ATOM 1063 CB ASN A 459 -9.605 -10.530 6.591 1.00 22.42 C ATOM 1064 CG ASN A 459 -9.807 -11.573 7.692 1.00 32.13 C ATOM 1065 OD1 ASN A 459 -9.931 -12.761 7.440 1.00 45.21 O ATOM 1066 ND2 ASN A 459 -9.835 -11.066 8.920 1.00 63.53 N ATOM 0 H ASN A 459 -8.358 -11.691 4.676 1.00 32.12 H new ATOM 0 HA ASN A 459 -11.160 -11.530 5.492 1.00 53.32 H new ATOM 0 HB2 ASN A 459 -8.540 -10.354 6.443 1.00 22.42 H new ATOM 0 HB3 ASN A 459 -10.045 -9.581 6.899 1.00 22.42 H new ATOM 0 HD21 ASN A 459 -9.967 -11.681 9.723 1.00 63.53 H new ATOM 0 HD22 ASN A 459 -9.725 -10.062 9.060 1.00 63.53 H new ATOM 1072 N PHE A 460 -9.597 -9.492 3.498 1.00 1.51 N ATOM 1073 CA PHE A 460 -9.727 -8.346 2.616 1.00 61.14 C ATOM 1074 C PHE A 460 -10.210 -8.773 1.228 1.00 62.33 C ATOM 1075 O PHE A 460 -10.216 -9.959 0.908 1.00 21.14 O ATOM 1076 CB PHE A 460 -8.336 -7.721 2.489 1.00 54.04 C ATOM 1077 CG PHE A 460 -8.299 -6.455 1.630 1.00 34.10 C ATOM 1078 CD1 PHE A 460 -9.088 -5.393 1.949 1.00 21.04 C ATOM 1079 CD2 PHE A 460 -7.477 -6.389 0.549 1.00 24.25 C ATOM 1080 CE1 PHE A 460 -9.054 -4.219 1.152 1.00 55.24 C ATOM 1081 CE2 PHE A 460 -7.442 -5.215 -0.248 1.00 51.13 C ATOM 1082 CZ PHE A 460 -8.231 -4.154 0.070 1.00 4.21 C ATOM 0 H PHE A 460 -8.764 -10.060 3.340 1.00 1.51 H new ATOM 0 HA PHE A 460 -10.454 -7.643 3.023 1.00 61.14 H new ATOM 0 HB2 PHE A 460 -7.964 -7.483 3.485 1.00 54.04 H new ATOM 0 HB3 PHE A 460 -7.655 -8.458 2.062 1.00 54.04 H new ATOM 0 HD1 PHE A 460 -9.740 -5.444 2.809 1.00 21.04 H new ATOM 0 HD2 PHE A 460 -6.850 -7.231 0.296 1.00 24.25 H new ATOM 0 HE1 PHE A 460 -9.681 -3.377 1.404 1.00 55.24 H new ATOM 0 HE2 PHE A 460 -6.789 -5.164 -1.107 1.00 51.13 H new ATOM 0 HZ PHE A 460 -8.205 -3.260 -0.536 1.00 4.21 H new ATOM 1091 N ASP A 461 -10.604 -7.780 0.442 1.00 63.01 N ATOM 1092 CA ASP A 461 -11.087 -8.039 -0.903 1.00 23.45 C ATOM 1093 C ASP A 461 -10.095 -7.464 -1.916 1.00 62.13 C ATOM 1094 O ASP A 461 -9.648 -6.326 -1.775 1.00 42.02 O ATOM 1095 CB ASP A 461 -12.444 -7.372 -1.137 1.00 74.51 C ATOM 1096 CG ASP A 461 -13.238 -7.924 -2.323 1.00 52.31 C ATOM 1097 OD1 ASP A 461 -12.663 -8.387 -3.319 1.00 72.43 O ATOM 1098 OD2 ASP A 461 -14.521 -7.867 -2.193 1.00 75.42 O ATOM 0 H ASP A 461 -10.598 -6.796 0.712 1.00 63.01 H new ATOM 0 HA ASP A 461 -11.189 -9.117 -1.024 1.00 23.45 H new ATOM 0 HB2 ASP A 461 -13.046 -7.479 -0.234 1.00 74.51 H new ATOM 0 HB3 ASP A 461 -12.286 -6.304 -1.290 1.00 74.51 H new ATOM 1103 N CYS A 462 -9.780 -8.275 -2.915 1.00 52.41 N ATOM 1104 CA CYS A 462 -8.849 -7.862 -3.951 1.00 53.44 C ATOM 1105 C CYS A 462 -9.596 -6.956 -4.933 1.00 32.15 C ATOM 1106 O CYS A 462 -9.234 -5.795 -5.110 1.00 73.25 O ATOM 1107 CB CYS A 462 -8.212 -9.063 -4.652 1.00 42.22 C ATOM 1108 SG CYS A 462 -7.857 -10.382 -3.435 1.00 75.11 S ATOM 0 H CYS A 462 -10.154 -9.217 -3.029 1.00 52.41 H new ATOM 0 HA CYS A 462 -8.024 -7.309 -3.503 1.00 53.44 H new ATOM 0 HB2 CYS A 462 -8.881 -9.441 -5.425 1.00 42.22 H new ATOM 0 HB3 CYS A 462 -7.291 -8.758 -5.149 1.00 42.22 H new ATOM 0 HG CYS A 462 -8.790 -11.286 -3.490 1.00 75.11 H new ATOM 1113 N ARG A 463 -10.625 -7.524 -5.546 1.00 73.14 N ATOM 1114 CA ARG A 463 -11.425 -6.783 -6.506 1.00 63.12 C ATOM 1115 C ARG A 463 -11.636 -5.346 -6.024 1.00 61.35 C ATOM 1116 O ARG A 463 -11.748 -4.426 -6.834 1.00 3.45 O ATOM 1117 CB ARG A 463 -12.786 -7.446 -6.718 1.00 5.34 C ATOM 1118 CG ARG A 463 -12.738 -8.436 -7.884 1.00 1.25 C ATOM 1119 CD ARG A 463 -12.591 -7.703 -9.219 1.00 11.25 C ATOM 1120 NE ARG A 463 -13.920 -7.279 -9.711 1.00 75.15 N ATOM 1121 CZ ARG A 463 -14.492 -6.091 -9.421 1.00 43.25 C ATOM 1122 NH1 ARG A 463 -13.853 -5.198 -8.635 1.00 11.22 N ATOM 1123 NH2 ARG A 463 -15.683 -5.815 -9.915 1.00 14.10 N ATOM 0 H ARG A 463 -10.923 -8.488 -5.396 1.00 73.14 H new ATOM 0 HA ARG A 463 -10.885 -6.778 -7.453 1.00 63.12 H new ATOM 0 HB2 ARG A 463 -13.088 -7.965 -5.808 1.00 5.34 H new ATOM 0 HB3 ARG A 463 -13.539 -6.683 -6.915 1.00 5.34 H new ATOM 0 HG2 ARG A 463 -11.903 -9.123 -7.748 1.00 1.25 H new ATOM 0 HG3 ARG A 463 -13.647 -9.037 -7.893 1.00 1.25 H new ATOM 0 HD2 ARG A 463 -11.945 -6.834 -9.097 1.00 11.25 H new ATOM 0 HD3 ARG A 463 -12.114 -8.355 -9.951 1.00 11.25 H new ATOM 0 HE ARG A 463 -14.437 -7.925 -10.307 1.00 75.15 H new ATOM 0 HH11 ARG A 463 -12.932 -5.419 -8.256 1.00 11.22 H new ATOM 0 HH12 ARG A 463 -14.291 -4.302 -8.420 1.00 11.22 H new ATOM 0 HH21 ARG A 463 -16.159 -6.495 -10.507 1.00 14.10 H new ATOM 0 HH22 ARG A 463 -16.128 -4.922 -9.705 1.00 14.10 H new ATOM 1133 N LEU A 464 -11.684 -5.197 -4.709 1.00 44.22 N ATOM 1134 CA LEU A 464 -11.879 -3.888 -4.109 1.00 22.13 C ATOM 1135 C LEU A 464 -10.666 -3.007 -4.411 1.00 34.22 C ATOM 1136 O LEU A 464 -10.756 -2.069 -5.202 1.00 21.13 O ATOM 1137 CB LEU A 464 -12.185 -4.022 -2.616 1.00 43.03 C ATOM 1138 CG LEU A 464 -12.640 -2.745 -1.907 1.00 45.11 C ATOM 1139 CD1 LEU A 464 -11.502 -2.139 -1.085 1.00 72.45 C ATOM 1140 CD2 LEU A 464 -13.225 -1.743 -2.905 1.00 51.25 C ATOM 0 H LEU A 464 -11.591 -5.962 -4.041 1.00 44.22 H new ATOM 0 HA LEU A 464 -12.748 -3.395 -4.546 1.00 22.13 H new ATOM 0 HB2 LEU A 464 -12.959 -4.779 -2.491 1.00 43.03 H new ATOM 0 HB3 LEU A 464 -11.292 -4.394 -2.114 1.00 43.03 H new ATOM 0 HG LEU A 464 -13.436 -3.006 -1.209 1.00 45.11 H new ATOM 0 HD11 LEU A 464 -11.852 -1.232 -0.592 1.00 72.45 H new ATOM 0 HD12 LEU A 464 -11.173 -2.857 -0.334 1.00 72.45 H new ATOM 0 HD13 LEU A 464 -10.668 -1.895 -1.743 1.00 72.45 H new ATOM 0 HD21 LEU A 464 -13.541 -0.844 -2.375 1.00 51.25 H new ATOM 0 HD22 LEU A 464 -12.468 -1.481 -3.644 1.00 51.25 H new ATOM 0 HD23 LEU A 464 -14.084 -2.189 -3.407 1.00 51.25 H new ATOM 1151 N SER A 465 -9.558 -3.340 -3.766 1.00 50.34 N ATOM 1152 CA SER A 465 -8.327 -2.591 -3.955 1.00 55.51 C ATOM 1153 C SER A 465 -8.173 -2.201 -5.427 1.00 73.04 C ATOM 1154 O SER A 465 -8.135 -1.017 -5.759 1.00 13.15 O ATOM 1155 CB SER A 465 -7.114 -3.397 -3.490 1.00 4.32 C ATOM 1156 OG SER A 465 -7.167 -4.748 -3.939 1.00 22.31 O ATOM 0 H SER A 465 -9.487 -4.119 -3.111 1.00 50.34 H new ATOM 0 HA SER A 465 -8.381 -1.686 -3.349 1.00 55.51 H new ATOM 0 HB2 SER A 465 -6.203 -2.927 -3.861 1.00 4.32 H new ATOM 0 HB3 SER A 465 -7.062 -3.379 -2.401 1.00 4.32 H new ATOM 0 HG SER A 465 -8.097 -4.995 -4.125 1.00 22.31 H new ATOM 1161 N LEU A 466 -8.088 -3.221 -6.269 1.00 74.32 N ATOM 1162 CA LEU A 466 -7.939 -3.000 -7.698 1.00 43.11 C ATOM 1163 C LEU A 466 -9.028 -2.037 -8.177 1.00 33.14 C ATOM 1164 O LEU A 466 -8.768 -1.164 -9.005 1.00 73.11 O ATOM 1165 CB LEU A 466 -7.925 -4.333 -8.447 1.00 22.23 C ATOM 1166 CG LEU A 466 -7.304 -4.311 -9.846 1.00 62.22 C ATOM 1167 CD1 LEU A 466 -8.293 -3.760 -10.875 1.00 72.31 C ATOM 1168 CD2 LEU A 466 -5.984 -3.538 -9.847 1.00 60.14 C ATOM 0 H LEU A 466 -8.119 -4.201 -5.990 1.00 74.32 H new ATOM 0 HA LEU A 466 -6.980 -2.530 -7.913 1.00 43.11 H new ATOM 0 HB2 LEU A 466 -7.384 -5.061 -7.842 1.00 22.23 H new ATOM 0 HB3 LEU A 466 -8.951 -4.690 -8.532 1.00 22.23 H new ATOM 0 HG LEU A 466 -7.076 -5.337 -10.136 1.00 62.22 H new ATOM 0 HD11 LEU A 466 -7.828 -3.755 -11.861 1.00 72.31 H new ATOM 0 HD12 LEU A 466 -9.183 -4.389 -10.897 1.00 72.31 H new ATOM 0 HD13 LEU A 466 -8.574 -2.743 -10.601 1.00 72.31 H new ATOM 0 HD21 LEU A 466 -5.563 -3.537 -10.853 1.00 60.14 H new ATOM 0 HD22 LEU A 466 -6.163 -2.511 -9.528 1.00 60.14 H new ATOM 0 HD23 LEU A 466 -5.283 -4.014 -9.161 1.00 60.14 H new ATOM 1179 N HIS A 467 -10.223 -2.228 -7.638 1.00 25.41 N ATOM 1180 CA HIS A 467 -11.350 -1.390 -8.000 1.00 53.54 C ATOM 1181 C HIS A 467 -11.142 0.021 -7.441 1.00 11.44 C ATOM 1182 O HIS A 467 -11.697 0.987 -7.960 1.00 3.32 O ATOM 1183 CB HIS A 467 -12.667 -2.020 -7.542 1.00 64.42 C ATOM 1184 CG HIS A 467 -13.867 -1.113 -7.690 1.00 25.34 C ATOM 1185 ND1 HIS A 467 -14.125 -0.394 -8.843 1.00 73.21 N ATOM 1186 CD2 HIS A 467 -14.875 -0.821 -6.819 1.00 62.12 C ATOM 1187 CE1 HIS A 467 -15.239 0.299 -8.662 1.00 34.31 C ATOM 1188 NE2 HIS A 467 -15.701 0.033 -7.408 1.00 40.40 N ATOM 0 H HIS A 467 -10.434 -2.953 -6.952 1.00 25.41 H new ATOM 0 HA HIS A 467 -11.412 -1.309 -9.085 1.00 53.54 H new ATOM 0 HB2 HIS A 467 -12.840 -2.931 -8.115 1.00 64.42 H new ATOM 0 HB3 HIS A 467 -12.573 -2.314 -6.496 1.00 64.42 H new ATOM 0 HD2 HIS A 467 -14.982 -1.218 -5.820 1.00 62.12 H new ATOM 0 HE1 HIS A 467 -15.700 0.959 -9.382 1.00 34.31 H new ATOM 0 HE2 HIS A 467 -16.544 0.426 -6.991 1.00 40.40 H new ATOM 1195 N GLN A 468 -10.341 0.091 -6.388 1.00 60.32 N ATOM 1196 CA GLN A 468 -10.051 1.366 -5.751 1.00 34.15 C ATOM 1197 C GLN A 468 -8.885 2.059 -6.458 1.00 64.11 C ATOM 1198 O GLN A 468 -9.077 3.061 -7.144 1.00 14.45 O ATOM 1199 CB GLN A 468 -9.759 1.180 -4.262 1.00 40.22 C ATOM 1200 CG GLN A 468 -11.008 0.713 -3.511 1.00 20.42 C ATOM 1201 CD GLN A 468 -11.210 1.520 -2.227 1.00 10.24 C ATOM 1202 OE1 GLN A 468 -11.996 2.451 -2.166 1.00 52.32 O ATOM 1203 NE2 GLN A 468 -10.460 1.111 -1.207 1.00 73.33 N ATOM 0 H GLN A 468 -9.884 -0.714 -5.960 1.00 60.32 H new ATOM 0 HA GLN A 468 -10.931 2.003 -5.837 1.00 34.15 H new ATOM 0 HB2 GLN A 468 -8.959 0.451 -4.133 1.00 40.22 H new ATOM 0 HB3 GLN A 468 -9.405 2.119 -3.837 1.00 40.22 H new ATOM 0 HG2 GLN A 468 -11.883 0.819 -4.152 1.00 20.42 H new ATOM 0 HG3 GLN A 468 -10.916 -0.346 -3.269 1.00 20.42 H new ATOM 0 HE21 GLN A 468 -9.822 0.324 -1.326 1.00 73.33 H new ATOM 0 HE22 GLN A 468 -10.523 1.584 -0.306 1.00 73.33 H new ATOM 1210 N VAL A 469 -7.700 1.498 -6.264 1.00 23.04 N ATOM 1211 CA VAL A 469 -6.502 2.049 -6.874 1.00 2.43 C ATOM 1212 C VAL A 469 -6.822 2.495 -8.302 1.00 51.44 C ATOM 1213 O VAL A 469 -6.343 3.535 -8.751 1.00 34.30 O ATOM 1214 CB VAL A 469 -5.363 1.029 -6.806 1.00 15.35 C ATOM 1215 CG1 VAL A 469 -5.710 -0.232 -7.604 1.00 63.54 C ATOM 1216 CG2 VAL A 469 -4.049 1.642 -7.293 1.00 35.24 C ATOM 0 H VAL A 469 -7.544 0.667 -5.693 1.00 23.04 H new ATOM 0 HA VAL A 469 -6.164 2.929 -6.327 1.00 2.43 H new ATOM 0 HB VAL A 469 -5.231 0.741 -5.763 1.00 15.35 H new ATOM 0 HG11 VAL A 469 -4.885 -0.941 -7.540 1.00 63.54 H new ATOM 0 HG12 VAL A 469 -6.612 -0.686 -7.193 1.00 63.54 H new ATOM 0 HG13 VAL A 469 -5.881 0.033 -8.647 1.00 63.54 H new ATOM 0 HG21 VAL A 469 -3.256 0.896 -7.234 1.00 35.24 H new ATOM 0 HG22 VAL A 469 -4.162 1.971 -8.326 1.00 35.24 H new ATOM 0 HG23 VAL A 469 -3.791 2.496 -6.666 1.00 35.24 H new ATOM 1226 N ASN A 470 -7.629 1.688 -8.974 1.00 73.44 N ATOM 1227 CA ASN A 470 -8.018 1.988 -10.342 1.00 34.12 C ATOM 1228 C ASN A 470 -8.555 3.418 -10.412 1.00 11.20 C ATOM 1229 O ASN A 470 -7.951 4.283 -11.045 1.00 61.45 O ATOM 1230 CB ASN A 470 -9.122 1.043 -10.819 1.00 15.01 C ATOM 1231 CG ASN A 470 -8.539 -0.117 -11.628 1.00 35.44 C ATOM 1232 OD1 ASN A 470 -9.054 -0.507 -12.664 1.00 51.55 O ATOM 1233 ND2 ASN A 470 -7.438 -0.645 -11.102 1.00 64.11 N ATOM 0 H ASN A 470 -8.024 0.827 -8.597 1.00 73.44 H new ATOM 0 HA ASN A 470 -7.141 1.867 -10.978 1.00 34.12 H new ATOM 0 HB2 ASN A 470 -9.668 0.654 -9.960 1.00 15.01 H new ATOM 0 HB3 ASN A 470 -9.838 1.593 -11.430 1.00 15.01 H new ATOM 0 HD21 ASN A 470 -6.973 -1.424 -11.569 1.00 64.11 H new ATOM 0 HD22 ASN A 470 -7.059 -0.271 -10.232 1.00 64.11 H new ATOM 1239 N GLN A 471 -9.688 3.625 -9.755 1.00 32.04 N ATOM 1240 CA GLN A 471 -10.315 4.935 -9.737 1.00 43.41 C ATOM 1241 C GLN A 471 -9.259 6.025 -9.547 1.00 34.13 C ATOM 1242 O GLN A 471 -9.268 7.033 -10.253 1.00 44.32 O ATOM 1243 CB GLN A 471 -11.386 5.014 -8.647 1.00 14.55 C ATOM 1244 CG GLN A 471 -12.480 3.968 -8.878 1.00 42.34 C ATOM 1245 CD GLN A 471 -13.858 4.531 -8.525 1.00 42.14 C ATOM 1246 OE1 GLN A 471 -14.623 3.947 -7.775 1.00 2.52 O ATOM 1247 NE2 GLN A 471 -14.133 5.695 -9.107 1.00 60.24 N ATOM 0 H GLN A 471 -10.187 2.906 -9.231 1.00 32.04 H new ATOM 0 HA GLN A 471 -10.807 5.095 -10.697 1.00 43.41 H new ATOM 0 HB2 GLN A 471 -10.928 4.858 -7.670 1.00 14.55 H new ATOM 0 HB3 GLN A 471 -11.827 6.011 -8.637 1.00 14.55 H new ATOM 0 HG2 GLN A 471 -12.469 3.649 -9.920 1.00 42.34 H new ATOM 0 HG3 GLN A 471 -12.278 3.085 -8.272 1.00 42.34 H new ATOM 0 HE21 GLN A 471 -13.448 6.131 -9.725 1.00 60.24 H new ATOM 0 HE22 GLN A 471 -15.029 6.152 -8.936 1.00 60.24 H new ATOM 1254 N ALA A 472 -8.374 5.787 -8.590 1.00 22.34 N ATOM 1255 CA ALA A 472 -7.313 6.737 -8.299 1.00 61.23 C ATOM 1256 C ALA A 472 -6.470 6.955 -9.558 1.00 23.22 C ATOM 1257 O ALA A 472 -6.123 8.087 -9.888 1.00 75.42 O ATOM 1258 CB ALA A 472 -6.481 6.227 -7.120 1.00 72.41 C ATOM 0 H ALA A 472 -8.370 4.951 -8.006 1.00 22.34 H new ATOM 0 HA ALA A 472 -7.730 7.702 -8.011 1.00 61.23 H new ATOM 0 HB1 ALA A 472 -5.685 6.939 -6.901 1.00 72.41 H new ATOM 0 HB2 ALA A 472 -7.120 6.117 -6.244 1.00 72.41 H new ATOM 0 HB3 ALA A 472 -6.044 5.261 -7.374 1.00 72.41 H new ATOM 1264 N MET A 473 -6.163 5.852 -10.224 1.00 33.12 N ATOM 1265 CA MET A 473 -5.368 5.907 -11.438 1.00 61.15 C ATOM 1266 C MET A 473 -6.107 6.660 -12.545 1.00 61.03 C ATOM 1267 O MET A 473 -5.623 7.679 -13.038 1.00 11.31 O ATOM 1268 CB MET A 473 -5.054 4.486 -11.908 1.00 14.12 C ATOM 1269 CG MET A 473 -3.802 3.942 -11.218 1.00 43.24 C ATOM 1270 SD MET A 473 -3.926 2.171 -11.035 1.00 2.01 S ATOM 1271 CE MET A 473 -2.354 1.828 -10.261 1.00 11.22 C ATOM 0 H MET A 473 -6.451 4.914 -9.945 1.00 33.12 H new ATOM 0 HA MET A 473 -4.442 6.439 -11.219 1.00 61.15 H new ATOM 0 HB2 MET A 473 -5.902 3.834 -11.697 1.00 14.12 H new ATOM 0 HB3 MET A 473 -4.909 4.481 -12.988 1.00 14.12 H new ATOM 0 HG2 MET A 473 -2.917 4.194 -11.801 1.00 43.24 H new ATOM 0 HG3 MET A 473 -3.683 4.409 -10.240 1.00 43.24 H new ATOM 0 HE1 MET A 473 -1.936 0.911 -10.677 1.00 11.22 H new ATOM 0 HE2 MET A 473 -1.669 2.655 -10.446 1.00 11.22 H new ATOM 0 HE3 MET A 473 -2.496 1.708 -9.187 1.00 11.22 H new ATOM 1279 N MET A 474 -7.269 6.132 -12.902 1.00 22.21 N ATOM 1280 CA MET A 474 -8.081 6.742 -13.941 1.00 43.31 C ATOM 1281 C MET A 474 -8.595 8.113 -13.500 1.00 53.55 C ATOM 1282 O MET A 474 -9.161 8.855 -14.302 1.00 74.34 O ATOM 1283 CB MET A 474 -9.266 5.831 -14.264 1.00 43.03 C ATOM 1284 CG MET A 474 -9.963 5.365 -12.984 1.00 21.21 C ATOM 1285 SD MET A 474 -11.730 5.321 -13.233 1.00 52.44 S ATOM 1286 CE MET A 474 -12.220 6.708 -12.222 1.00 2.23 C ATOM 0 H MET A 474 -7.667 5.288 -12.490 1.00 22.21 H new ATOM 0 HA MET A 474 -7.462 6.875 -14.829 1.00 43.31 H new ATOM 0 HB2 MET A 474 -9.977 6.363 -14.896 1.00 43.03 H new ATOM 0 HB3 MET A 474 -8.921 4.966 -14.830 1.00 43.03 H new ATOM 0 HG2 MET A 474 -9.602 4.376 -12.703 1.00 21.21 H new ATOM 0 HG3 MET A 474 -9.720 6.038 -12.162 1.00 21.21 H new ATOM 0 HE1 MET A 474 -13.173 6.489 -11.741 1.00 2.23 H new ATOM 0 HE2 MET A 474 -11.462 6.889 -11.460 1.00 2.23 H new ATOM 0 HE3 MET A 474 -12.325 7.595 -12.847 1.00 2.23 H new ATOM 1294 N SER A 475 -8.382 8.409 -12.226 1.00 54.35 N ATOM 1295 CA SER A 475 -8.818 9.680 -11.671 1.00 3.32 C ATOM 1296 C SER A 475 -7.850 10.790 -12.080 1.00 42.11 C ATOM 1297 O SER A 475 -8.267 11.817 -12.612 1.00 54.41 O ATOM 1298 CB SER A 475 -8.924 9.604 -10.145 1.00 14.25 C ATOM 1299 OG SER A 475 -8.830 10.890 -9.539 1.00 32.31 O ATOM 0 H SER A 475 -7.914 7.792 -11.563 1.00 54.35 H new ATOM 0 HA SER A 475 -9.807 9.906 -12.068 1.00 3.32 H new ATOM 0 HB2 SER A 475 -9.872 9.142 -9.870 1.00 14.25 H new ATOM 0 HB3 SER A 475 -8.133 8.962 -9.758 1.00 14.25 H new ATOM 0 HG SER A 475 -9.571 11.010 -8.909 1.00 32.31 H new ATOM 1304 N ASN A 476 -6.574 10.547 -11.816 1.00 2.10 N ATOM 1305 CA ASN A 476 -5.542 11.514 -12.150 1.00 44.40 C ATOM 1306 C ASN A 476 -4.338 10.783 -12.746 1.00 44.14 C ATOM 1307 O ASN A 476 -3.447 10.351 -12.015 1.00 12.41 O ATOM 1308 CB ASN A 476 -5.070 12.269 -10.905 1.00 35.22 C ATOM 1309 CG ASN A 476 -4.751 11.301 -9.765 1.00 10.10 C ATOM 1310 OD1 ASN A 476 -5.509 10.396 -9.454 1.00 43.13 O ATOM 1311 ND2 ASN A 476 -3.590 11.539 -9.162 1.00 42.43 N ATOM 0 H ASN A 476 -6.232 9.694 -11.374 1.00 2.10 H new ATOM 0 HA ASN A 476 -5.962 12.223 -12.863 1.00 44.40 H new ATOM 0 HB2 ASN A 476 -4.184 12.857 -11.146 1.00 35.22 H new ATOM 0 HB3 ASN A 476 -5.841 12.970 -10.586 1.00 35.22 H new ATOM 0 HD21 ASN A 476 -3.286 10.947 -8.389 1.00 42.43 H new ATOM 0 HD22 ASN A 476 -3.003 12.314 -9.472 1.00 42.43 H new ATOM 1317 N LEU A 477 -4.349 10.669 -14.066 1.00 63.24 N ATOM 1318 CA LEU A 477 -3.267 9.998 -14.767 1.00 1.21 C ATOM 1319 C LEU A 477 -2.162 11.009 -15.077 1.00 62.42 C ATOM 1320 O LEU A 477 -0.978 10.696 -14.956 1.00 32.52 O ATOM 1321 CB LEU A 477 -3.801 9.272 -16.004 1.00 71.54 C ATOM 1322 CG LEU A 477 -4.901 8.238 -15.752 1.00 62.45 C ATOM 1323 CD1 LEU A 477 -5.706 7.974 -17.025 1.00 22.10 C ATOM 1324 CD2 LEU A 477 -4.318 6.950 -15.165 1.00 72.25 C ATOM 0 H LEU A 477 -5.089 11.030 -14.668 1.00 63.24 H new ATOM 0 HA LEU A 477 -2.825 9.226 -14.137 1.00 1.21 H new ATOM 0 HB2 LEU A 477 -4.183 10.017 -16.702 1.00 71.54 H new ATOM 0 HB3 LEU A 477 -2.966 8.773 -16.496 1.00 71.54 H new ATOM 0 HG LEU A 477 -5.591 8.646 -15.013 1.00 62.45 H new ATOM 0 HD11 LEU A 477 -6.481 7.236 -16.819 1.00 22.10 H new ATOM 0 HD12 LEU A 477 -6.169 8.902 -17.362 1.00 22.10 H new ATOM 0 HD13 LEU A 477 -5.043 7.596 -17.803 1.00 22.10 H new ATOM 0 HD21 LEU A 477 -5.120 6.232 -14.995 1.00 72.25 H new ATOM 0 HD22 LEU A 477 -3.594 6.528 -15.862 1.00 72.25 H new ATOM 0 HD23 LEU A 477 -3.824 7.172 -14.219 1.00 72.25 H new ATOM 1335 N THR A 478 -2.585 12.201 -15.469 1.00 15.12 N ATOM 1336 CA THR A 478 -1.647 13.260 -15.796 1.00 62.42 C ATOM 1337 C THR A 478 -0.790 13.608 -14.578 1.00 64.31 C ATOM 1338 O THR A 478 0.227 14.289 -14.703 1.00 0.15 O ATOM 1339 CB THR A 478 -2.442 14.448 -16.339 1.00 73.11 C ATOM 1340 OG1 THR A 478 -1.448 15.321 -16.867 1.00 61.31 O ATOM 1341 CG2 THR A 478 -3.106 15.265 -15.229 1.00 74.53 C ATOM 0 H THR A 478 -3.567 12.457 -15.568 1.00 15.12 H new ATOM 0 HA THR A 478 -0.946 12.942 -16.568 1.00 62.42 H new ATOM 0 HB THR A 478 -3.204 14.088 -17.030 1.00 73.11 H new ATOM 0 HG1 THR A 478 -0.615 15.212 -16.362 1.00 61.31 H new ATOM 0 HG21 THR A 478 -3.657 16.096 -15.669 1.00 74.53 H new ATOM 0 HG22 THR A 478 -3.793 14.629 -14.670 1.00 74.53 H new ATOM 0 HG23 THR A 478 -2.342 15.653 -14.556 1.00 74.53 H new ATOM 1349 N ARG A 479 -1.234 13.128 -13.425 1.00 33.51 N ATOM 1350 CA ARG A 479 -0.520 13.380 -12.185 1.00 14.12 C ATOM 1351 C ARG A 479 0.711 12.477 -12.087 1.00 23.24 C ATOM 1352 O ARG A 479 1.832 12.920 -12.330 1.00 21.13 O ATOM 1353 CB ARG A 479 -1.421 13.137 -10.973 1.00 2.22 C ATOM 1354 CG ARG A 479 -2.088 14.436 -10.515 1.00 12.03 C ATOM 1355 CD ARG A 479 -2.744 15.159 -11.693 1.00 52.31 C ATOM 1356 NE ARG A 479 -3.122 16.534 -11.297 1.00 42.31 N ATOM 1357 CZ ARG A 479 -2.235 17.510 -11.009 1.00 34.13 C ATOM 1358 NH1 ARG A 479 -0.909 17.270 -11.072 1.00 35.00 N ATOM 1359 NH2 ARG A 479 -2.685 18.702 -10.665 1.00 20.33 N ATOM 0 H ARG A 479 -2.079 12.566 -13.324 1.00 33.51 H new ATOM 0 HA ARG A 479 -0.208 14.424 -12.188 1.00 14.12 H new ATOM 0 HB2 ARG A 479 -2.185 12.401 -11.225 1.00 2.22 H new ATOM 0 HB3 ARG A 479 -0.833 12.719 -10.156 1.00 2.22 H new ATOM 0 HG2 ARG A 479 -2.838 14.216 -9.755 1.00 12.03 H new ATOM 0 HG3 ARG A 479 -1.346 15.086 -10.052 1.00 12.03 H new ATOM 0 HD2 ARG A 479 -2.057 15.191 -12.539 1.00 52.31 H new ATOM 0 HD3 ARG A 479 -3.627 14.610 -12.021 1.00 52.31 H new ATOM 0 HE ARG A 479 -4.115 16.758 -11.238 1.00 42.31 H new ATOM 0 HH11 ARG A 479 -0.570 16.346 -11.339 1.00 35.00 H new ATOM 0 HH12 ARG A 479 -0.245 18.013 -10.853 1.00 35.00 H new ATOM 0 HH21 ARG A 479 -3.689 18.874 -10.620 1.00 20.33 H new ATOM 0 HH22 ARG A 479 -2.028 19.451 -10.444 1.00 20.33 H new ATOM 1369 N GLN A 480 0.460 11.225 -11.730 1.00 31.21 N ATOM 1370 CA GLN A 480 1.533 10.255 -11.595 1.00 71.04 C ATOM 1371 C GLN A 480 1.396 9.162 -12.657 1.00 1.31 C ATOM 1372 O GLN A 480 2.392 8.599 -13.106 1.00 60.53 O ATOM 1373 CB GLN A 480 1.558 9.654 -10.189 1.00 44.32 C ATOM 1374 CG GLN A 480 0.166 9.685 -9.556 1.00 43.21 C ATOM 1375 CD GLN A 480 -0.783 8.718 -10.268 1.00 72.41 C ATOM 1376 OE1 GLN A 480 -0.398 7.654 -10.723 1.00 21.43 O ATOM 1377 NE2 GLN A 480 -2.040 9.145 -10.338 1.00 73.23 N ATOM 0 H GLN A 480 -0.472 10.861 -11.530 1.00 31.21 H new ATOM 0 HA GLN A 480 2.482 10.769 -11.750 1.00 71.04 H new ATOM 0 HB2 GLN A 480 1.918 8.626 -10.235 1.00 44.32 H new ATOM 0 HB3 GLN A 480 2.258 10.209 -9.565 1.00 44.32 H new ATOM 0 HG2 GLN A 480 0.237 9.420 -8.501 1.00 43.21 H new ATOM 0 HG3 GLN A 480 -0.237 10.697 -9.604 1.00 43.21 H new ATOM 0 HE21 GLN A 480 -2.295 10.047 -9.936 1.00 73.23 H new ATOM 0 HE22 GLN A 480 -2.749 8.571 -10.794 1.00 73.23 H new ATOM 1384 N GLY A 481 0.152 8.894 -13.026 1.00 3.13 N ATOM 1385 CA GLY A 481 -0.130 7.877 -14.026 1.00 24.50 C ATOM 1386 C GLY A 481 0.826 6.690 -13.885 1.00 5.22 C ATOM 1387 O GLY A 481 1.447 6.268 -14.859 1.00 54.13 O ATOM 0 H GLY A 481 -0.672 9.363 -12.651 1.00 3.13 H new ATOM 0 HA2 GLY A 481 -1.159 7.534 -13.921 1.00 24.50 H new ATOM 0 HA3 GLY A 481 -0.037 8.307 -15.023 1.00 24.50 H new ATOM 1391 N SER A 482 0.913 6.183 -12.663 1.00 52.31 N ATOM 1392 CA SER A 482 1.781 5.054 -12.381 1.00 73.31 C ATOM 1393 C SER A 482 0.942 3.827 -12.014 1.00 64.35 C ATOM 1394 O SER A 482 0.561 3.658 -10.858 1.00 5.51 O ATOM 1395 CB SER A 482 2.765 5.382 -11.255 1.00 32.42 C ATOM 1396 OG SER A 482 3.415 6.632 -11.463 1.00 43.45 O ATOM 0 H SER A 482 0.396 6.535 -11.857 1.00 52.31 H new ATOM 0 HA SER A 482 2.359 4.835 -13.279 1.00 73.31 H new ATOM 0 HB2 SER A 482 2.233 5.403 -10.304 1.00 32.42 H new ATOM 0 HB3 SER A 482 3.512 4.592 -11.185 1.00 32.42 H new ATOM 0 HG SER A 482 2.901 7.165 -12.105 1.00 43.45 H new ATOM 1401 N PRO A 483 0.676 2.984 -13.047 1.00 40.35 N ATOM 1402 CA PRO A 483 -0.111 1.779 -12.843 1.00 42.14 C ATOM 1403 C PRO A 483 0.710 0.703 -12.131 1.00 1.31 C ATOM 1404 O PRO A 483 0.214 -0.394 -11.875 1.00 53.24 O ATOM 1405 CB PRO A 483 -0.557 1.362 -14.235 1.00 12.53 C ATOM 1406 CG PRO A 483 0.373 2.074 -15.202 1.00 62.45 C ATOM 1407 CD PRO A 483 1.112 3.154 -14.429 1.00 31.33 C ATOM 0 HA PRO A 483 -0.972 1.942 -12.195 1.00 42.14 H new ATOM 0 HB2 PRO A 483 -0.494 0.281 -14.358 1.00 12.53 H new ATOM 0 HB3 PRO A 483 -1.595 1.643 -14.413 1.00 12.53 H new ATOM 0 HG2 PRO A 483 1.078 1.369 -15.642 1.00 62.45 H new ATOM 0 HG3 PRO A 483 -0.194 2.513 -16.023 1.00 62.45 H new ATOM 0 HD2 PRO A 483 2.192 3.038 -14.521 1.00 31.33 H new ATOM 0 HD3 PRO A 483 0.865 4.148 -14.803 1.00 31.33 H new ATOM 1412 N ASP A 484 1.952 1.053 -11.830 1.00 31.25 N ATOM 1413 CA ASP A 484 2.845 0.130 -11.150 1.00 35.54 C ATOM 1414 C ASP A 484 2.854 0.442 -9.653 1.00 13.15 C ATOM 1415 O ASP A 484 3.743 0.000 -8.928 1.00 73.44 O ATOM 1416 CB ASP A 484 4.278 0.269 -11.671 1.00 24.51 C ATOM 1417 CG ASP A 484 4.621 -0.622 -12.867 1.00 54.52 C ATOM 1418 OD1 ASP A 484 4.798 -0.135 -13.994 1.00 1.43 O ATOM 1419 OD2 ASP A 484 4.707 -1.881 -12.602 1.00 75.51 O ATOM 0 H ASP A 484 2.361 1.963 -12.044 1.00 31.25 H new ATOM 0 HA ASP A 484 2.488 -0.883 -11.336 1.00 35.54 H new ATOM 0 HB2 ASP A 484 4.447 1.309 -11.951 1.00 24.51 H new ATOM 0 HB3 ASP A 484 4.968 0.042 -10.858 1.00 24.51 H new ATOM 1424 N CYS A 485 1.853 1.203 -9.234 1.00 74.14 N ATOM 1425 CA CYS A 485 1.732 1.579 -7.836 1.00 33.42 C ATOM 1426 C CYS A 485 0.800 0.582 -7.148 1.00 54.41 C ATOM 1427 O CYS A 485 0.142 0.919 -6.165 1.00 42.31 O ATOM 1428 CB CYS A 485 1.244 3.021 -7.679 1.00 72.54 C ATOM 1429 SG CYS A 485 -0.486 3.163 -8.256 1.00 21.41 S ATOM 0 H CYS A 485 1.118 1.569 -9.839 1.00 74.14 H new ATOM 0 HA CYS A 485 2.712 1.543 -7.361 1.00 33.42 H new ATOM 0 HB2 CYS A 485 1.314 3.325 -6.635 1.00 72.54 H new ATOM 0 HB3 CYS A 485 1.883 3.694 -8.251 1.00 72.54 H new ATOM 0 HG CYS A 485 -0.512 3.777 -9.402 1.00 21.41 H new ATOM 1434 N VAL A 486 0.768 -0.625 -7.694 1.00 22.33 N ATOM 1435 CA VAL A 486 -0.074 -1.674 -7.144 1.00 21.22 C ATOM 1436 C VAL A 486 0.803 -2.843 -6.695 1.00 2.13 C ATOM 1437 O VAL A 486 1.404 -3.528 -7.521 1.00 52.43 O ATOM 1438 CB VAL A 486 -1.137 -2.080 -8.168 1.00 22.54 C ATOM 1439 CG1 VAL A 486 -2.330 -2.749 -7.483 1.00 63.35 C ATOM 1440 CG2 VAL A 486 -1.583 -0.879 -9.002 1.00 13.52 C ATOM 0 H VAL A 486 1.312 -0.900 -8.512 1.00 22.33 H new ATOM 0 HA VAL A 486 -0.609 -1.315 -6.265 1.00 21.22 H new ATOM 0 HB VAL A 486 -0.690 -2.808 -8.845 1.00 22.54 H new ATOM 0 HG11 VAL A 486 -3.071 -3.028 -8.233 1.00 63.35 H new ATOM 0 HG12 VAL A 486 -1.993 -3.642 -6.956 1.00 63.35 H new ATOM 0 HG13 VAL A 486 -2.777 -2.055 -6.772 1.00 63.35 H new ATOM 0 HG21 VAL A 486 -2.338 -1.196 -9.721 1.00 13.52 H new ATOM 0 HG22 VAL A 486 -2.004 -0.117 -8.346 1.00 13.52 H new ATOM 0 HG23 VAL A 486 -0.726 -0.467 -9.534 1.00 13.52 H new ATOM 1450 N ILE A 487 0.847 -3.038 -5.384 1.00 32.32 N ATOM 1451 CA ILE A 487 1.641 -4.113 -4.815 1.00 21.33 C ATOM 1452 C ILE A 487 0.760 -4.957 -3.891 1.00 63.24 C ATOM 1453 O ILE A 487 0.574 -4.618 -2.723 1.00 34.33 O ATOM 1454 CB ILE A 487 2.889 -3.554 -4.130 1.00 22.01 C ATOM 1455 CG1 ILE A 487 3.415 -2.322 -4.870 1.00 40.41 C ATOM 1456 CG2 ILE A 487 3.964 -4.633 -3.980 1.00 0.25 C ATOM 1457 CD1 ILE A 487 4.009 -2.709 -6.227 1.00 3.12 C ATOM 0 H ILE A 487 0.346 -2.470 -4.701 1.00 32.32 H new ATOM 0 HA ILE A 487 2.006 -4.773 -5.602 1.00 21.33 H new ATOM 0 HB ILE A 487 2.612 -3.234 -3.126 1.00 22.01 H new ATOM 0 HG12 ILE A 487 2.605 -1.607 -5.014 1.00 40.41 H new ATOM 0 HG13 ILE A 487 4.174 -1.826 -4.265 1.00 40.41 H new ATOM 0 HG21 ILE A 487 4.840 -4.208 -3.490 1.00 0.25 H new ATOM 0 HG22 ILE A 487 3.574 -5.454 -3.378 1.00 0.25 H new ATOM 0 HG23 ILE A 487 4.245 -5.006 -4.965 1.00 0.25 H new ATOM 0 HD11 ILE A 487 4.375 -1.815 -6.732 1.00 3.12 H new ATOM 0 HD12 ILE A 487 4.834 -3.405 -6.078 1.00 3.12 H new ATOM 0 HD13 ILE A 487 3.241 -3.182 -6.839 1.00 3.12 H new ATOM 1468 N PRO A 488 0.227 -6.069 -4.464 1.00 2.33 N ATOM 1469 CA PRO A 488 -0.631 -6.964 -3.705 1.00 42.23 C ATOM 1470 C PRO A 488 0.189 -7.815 -2.732 1.00 23.54 C ATOM 1471 O PRO A 488 0.822 -8.791 -3.136 1.00 42.33 O ATOM 1472 CB PRO A 488 -1.358 -7.793 -4.751 1.00 52.34 C ATOM 1473 CG PRO A 488 -0.548 -7.658 -6.028 1.00 54.05 C ATOM 1474 CD PRO A 488 0.425 -6.504 -5.843 1.00 63.51 C ATOM 0 HA PRO A 488 -1.342 -6.431 -3.074 1.00 42.23 H new ATOM 0 HB2 PRO A 488 -1.429 -8.836 -4.442 1.00 52.34 H new ATOM 0 HB3 PRO A 488 -2.377 -7.433 -4.895 1.00 52.34 H new ATOM 0 HG2 PRO A 488 -0.009 -8.582 -6.238 1.00 54.05 H new ATOM 0 HG3 PRO A 488 -1.204 -7.472 -6.878 1.00 54.05 H new ATOM 0 HD2 PRO A 488 1.453 -6.822 -6.014 1.00 63.51 H new ATOM 0 HD3 PRO A 488 0.220 -5.697 -6.546 1.00 63.51 H new ATOM 1479 N PHE A 489 0.152 -7.415 -1.470 1.00 22.54 N ATOM 1480 CA PHE A 489 0.883 -8.130 -0.436 1.00 15.01 C ATOM 1481 C PHE A 489 0.145 -9.404 -0.024 1.00 44.50 C ATOM 1482 O PHE A 489 -1.057 -9.532 -0.252 1.00 22.43 O ATOM 1483 CB PHE A 489 0.977 -7.195 0.772 1.00 35.14 C ATOM 1484 CG PHE A 489 2.194 -7.451 1.662 1.00 71.45 C ATOM 1485 CD1 PHE A 489 2.108 -8.330 2.696 1.00 33.42 C ATOM 1486 CD2 PHE A 489 3.363 -6.798 1.421 1.00 23.12 C ATOM 1487 CE1 PHE A 489 3.238 -8.568 3.523 1.00 12.11 C ATOM 1488 CE2 PHE A 489 4.493 -7.035 2.248 1.00 14.41 C ATOM 1489 CZ PHE A 489 4.406 -7.915 3.281 1.00 43.42 C ATOM 0 H PHE A 489 -0.372 -6.605 -1.139 1.00 22.54 H new ATOM 0 HA PHE A 489 1.867 -8.417 -0.806 1.00 15.01 H new ATOM 0 HB2 PHE A 489 1.008 -6.164 0.419 1.00 35.14 H new ATOM 0 HB3 PHE A 489 0.073 -7.300 1.371 1.00 35.14 H new ATOM 0 HD1 PHE A 489 1.180 -8.848 2.889 1.00 33.42 H new ATOM 0 HD2 PHE A 489 3.432 -6.099 0.600 1.00 23.12 H new ATOM 0 HE1 PHE A 489 3.170 -9.267 4.343 1.00 12.11 H new ATOM 0 HE2 PHE A 489 5.421 -6.517 2.057 1.00 14.41 H new ATOM 0 HZ PHE A 489 5.265 -8.095 3.910 1.00 43.42 H new ATOM 1498 N LEU A 490 0.896 -10.317 0.576 1.00 55.21 N ATOM 1499 CA LEU A 490 0.327 -11.577 1.022 1.00 22.44 C ATOM 1500 C LEU A 490 0.913 -11.939 2.389 1.00 11.43 C ATOM 1501 O LEU A 490 2.009 -12.489 2.474 1.00 53.12 O ATOM 1502 CB LEU A 490 0.529 -12.661 -0.039 1.00 50.20 C ATOM 1503 CG LEU A 490 -0.355 -13.902 0.093 1.00 5.23 C ATOM 1504 CD1 LEU A 490 0.318 -14.965 0.964 1.00 64.10 C ATOM 1505 CD2 LEU A 490 -1.746 -13.532 0.613 1.00 65.11 C ATOM 0 H LEU A 490 1.893 -10.209 0.763 1.00 55.21 H new ATOM 0 HA LEU A 490 -0.752 -11.485 1.150 1.00 22.44 H new ATOM 0 HB2 LEU A 490 0.355 -12.218 -1.020 1.00 50.20 H new ATOM 0 HB3 LEU A 490 1.572 -12.978 -0.012 1.00 50.20 H new ATOM 0 HG LEU A 490 -0.486 -14.334 -0.899 1.00 5.23 H new ATOM 0 HD11 LEU A 490 -0.332 -15.837 1.041 1.00 64.10 H new ATOM 0 HD12 LEU A 490 1.266 -15.258 0.513 1.00 64.10 H new ATOM 0 HD13 LEU A 490 0.500 -14.558 1.959 1.00 64.10 H new ATOM 0 HD21 LEU A 490 -2.354 -14.433 0.698 1.00 65.11 H new ATOM 0 HD22 LEU A 490 -1.655 -13.062 1.592 1.00 65.11 H new ATOM 0 HD23 LEU A 490 -2.221 -12.837 -0.080 1.00 65.11 H new ATOM 1516 N PRO A 491 0.132 -11.608 3.453 1.00 21.23 N ATOM 1517 CA PRO A 491 0.561 -11.892 4.813 1.00 32.12 C ATOM 1518 C PRO A 491 0.422 -13.382 5.131 1.00 72.11 C ATOM 1519 O PRO A 491 -0.496 -14.042 4.645 1.00 62.21 O ATOM 1520 CB PRO A 491 -0.313 -11.013 5.692 1.00 23.42 C ATOM 1521 CG PRO A 491 -1.506 -10.621 4.835 1.00 71.24 C ATOM 1522 CD PRO A 491 -1.173 -10.957 3.391 1.00 54.01 C ATOM 0 HA PRO A 491 1.616 -11.672 4.977 1.00 32.12 H new ATOM 0 HB2 PRO A 491 -0.633 -11.550 6.585 1.00 23.42 H new ATOM 0 HB3 PRO A 491 0.233 -10.131 6.028 1.00 23.42 H new ATOM 0 HG2 PRO A 491 -2.399 -11.158 5.156 1.00 71.24 H new ATOM 0 HG3 PRO A 491 -1.718 -9.557 4.940 1.00 71.24 H new ATOM 0 HD2 PRO A 491 -1.924 -11.616 2.955 1.00 54.01 H new ATOM 0 HD3 PRO A 491 -1.139 -10.059 2.773 1.00 54.01 H new ATOM 1527 N LEU A 492 1.348 -13.870 5.943 1.00 43.04 N ATOM 1528 CA LEU A 492 1.340 -15.270 6.333 1.00 72.10 C ATOM 1529 C LEU A 492 0.012 -15.596 7.019 1.00 4.41 C ATOM 1530 O LEU A 492 -0.352 -16.764 7.151 1.00 35.12 O ATOM 1531 CB LEU A 492 2.569 -15.595 7.185 1.00 34.34 C ATOM 1532 CG LEU A 492 3.871 -14.904 6.776 1.00 42.43 C ATOM 1533 CD1 LEU A 492 5.079 -15.577 7.429 1.00 2.35 C ATOM 1534 CD2 LEU A 492 4.004 -14.841 5.253 1.00 43.20 C ATOM 0 H LEU A 492 2.109 -13.321 6.342 1.00 43.04 H new ATOM 0 HA LEU A 492 1.411 -15.911 5.454 1.00 72.10 H new ATOM 0 HB2 LEU A 492 2.350 -15.330 8.219 1.00 34.34 H new ATOM 0 HB3 LEU A 492 2.729 -16.673 7.159 1.00 34.34 H new ATOM 0 HG LEU A 492 3.840 -13.877 7.139 1.00 42.43 H new ATOM 0 HD11 LEU A 492 5.991 -15.066 7.121 1.00 2.35 H new ATOM 0 HD12 LEU A 492 4.982 -15.525 8.513 1.00 2.35 H new ATOM 0 HD13 LEU A 492 5.126 -16.621 7.119 1.00 2.35 H new ATOM 0 HD21 LEU A 492 4.938 -14.345 4.990 1.00 43.20 H new ATOM 0 HD22 LEU A 492 4.002 -15.852 4.846 1.00 43.20 H new ATOM 0 HD23 LEU A 492 3.166 -14.281 4.837 1.00 43.20 H new ATOM 1545 N GLU A 493 -0.676 -14.545 7.438 1.00 63.21 N ATOM 1546 CA GLU A 493 -1.956 -14.705 8.108 1.00 21.31 C ATOM 1547 C GLU A 493 -3.023 -15.156 7.110 1.00 3.43 C ATOM 1548 O GLU A 493 -3.984 -15.826 7.484 1.00 10.51 O ATOM 1549 CB GLU A 493 -2.373 -13.412 8.810 1.00 62.21 C ATOM 1550 CG GLU A 493 -1.950 -13.426 10.281 1.00 42.44 C ATOM 1551 CD GLU A 493 -3.120 -13.820 11.183 1.00 4.32 C ATOM 1552 OE1 GLU A 493 -4.286 -13.618 10.812 1.00 42.11 O ATOM 1553 OE2 GLU A 493 -2.785 -14.357 12.308 1.00 21.23 O ATOM 0 H GLU A 493 -0.371 -13.578 7.327 1.00 63.21 H new ATOM 0 HA GLU A 493 -1.851 -15.476 8.872 1.00 21.31 H new ATOM 0 HB2 GLU A 493 -1.921 -12.558 8.306 1.00 62.21 H new ATOM 0 HB3 GLU A 493 -3.454 -13.288 8.740 1.00 62.21 H new ATOM 0 HG2 GLU A 493 -1.127 -14.127 10.420 1.00 42.44 H new ATOM 0 HG3 GLU A 493 -1.581 -12.441 10.567 1.00 42.44 H new ATOM 1559 N SER A 494 -2.818 -14.771 5.859 1.00 15.40 N ATOM 1560 CA SER A 494 -3.753 -15.127 4.804 1.00 63.02 C ATOM 1561 C SER A 494 -3.028 -15.907 3.706 1.00 33.54 C ATOM 1562 O SER A 494 -1.841 -16.205 3.830 1.00 43.52 O ATOM 1563 CB SER A 494 -4.422 -13.882 4.218 1.00 33.13 C ATOM 1564 OG SER A 494 -5.445 -13.375 5.070 1.00 55.32 O ATOM 0 H SER A 494 -2.019 -14.216 5.552 1.00 15.40 H new ATOM 0 HA SER A 494 -4.532 -15.756 5.234 1.00 63.02 H new ATOM 0 HB2 SER A 494 -3.671 -13.110 4.054 1.00 33.13 H new ATOM 0 HB3 SER A 494 -4.848 -14.124 3.244 1.00 33.13 H new ATOM 0 HG SER A 494 -5.039 -12.990 5.875 1.00 55.32 H new ATOM 1569 N SER A 495 -3.773 -16.217 2.654 1.00 23.32 N ATOM 1570 CA SER A 495 -3.216 -16.958 1.535 1.00 41.00 C ATOM 1571 C SER A 495 -3.880 -16.511 0.230 1.00 61.13 C ATOM 1572 O SER A 495 -4.938 -15.886 0.251 1.00 54.55 O ATOM 1573 CB SER A 495 -3.391 -18.465 1.730 1.00 33.23 C ATOM 1574 OG SER A 495 -2.237 -19.066 2.309 1.00 43.31 O ATOM 0 H SER A 495 -4.757 -15.968 2.553 1.00 23.32 H new ATOM 0 HA SER A 495 -2.148 -16.748 1.483 1.00 41.00 H new ATOM 0 HB2 SER A 495 -4.255 -18.650 2.368 1.00 33.23 H new ATOM 0 HB3 SER A 495 -3.599 -18.933 0.768 1.00 33.23 H new ATOM 0 HG SER A 495 -2.389 -20.028 2.419 1.00 43.31 H new ATOM 1579 N PRO A 496 -3.211 -16.857 -0.901 1.00 32.24 N ATOM 1580 CA PRO A 496 -3.724 -16.499 -2.213 1.00 73.11 C ATOM 1581 C PRO A 496 -4.909 -17.385 -2.600 1.00 11.15 C ATOM 1582 O PRO A 496 -5.801 -16.953 -3.329 1.00 14.21 O ATOM 1583 CB PRO A 496 -2.539 -16.648 -3.154 1.00 63.43 C ATOM 1584 CG PRO A 496 -1.537 -17.527 -2.424 1.00 61.35 C ATOM 1585 CD PRO A 496 -1.954 -17.598 -0.964 1.00 60.31 C ATOM 0 HA PRO A 496 -4.117 -15.483 -2.247 1.00 73.11 H new ATOM 0 HB2 PRO A 496 -2.843 -17.102 -4.097 1.00 63.43 H new ATOM 0 HB3 PRO A 496 -2.106 -15.677 -3.393 1.00 63.43 H new ATOM 0 HG2 PRO A 496 -1.514 -18.524 -2.863 1.00 61.35 H new ATOM 0 HG3 PRO A 496 -0.532 -17.115 -2.514 1.00 61.35 H new ATOM 0 HD2 PRO A 496 -2.086 -18.630 -0.640 1.00 60.31 H new ATOM 0 HD3 PRO A 496 -1.200 -17.154 -0.315 1.00 60.31 H new ATOM 1590 N ALA A 497 -4.882 -18.609 -2.094 1.00 1.44 N ATOM 1591 CA ALA A 497 -5.944 -19.560 -2.376 1.00 62.11 C ATOM 1592 C ALA A 497 -7.255 -19.047 -1.778 1.00 42.44 C ATOM 1593 O ALA A 497 -8.335 -19.355 -2.282 1.00 64.30 O ATOM 1594 CB ALA A 497 -5.555 -20.937 -1.833 1.00 62.23 C ATOM 0 H ALA A 497 -4.141 -18.964 -1.490 1.00 1.44 H new ATOM 0 HA ALA A 497 -6.090 -19.663 -3.451 1.00 62.11 H new ATOM 0 HB1 ALA A 497 -6.352 -21.650 -2.045 1.00 62.23 H new ATOM 0 HB2 ALA A 497 -4.634 -21.270 -2.311 1.00 62.23 H new ATOM 0 HB3 ALA A 497 -5.402 -20.873 -0.756 1.00 62.23 H new ATOM 1600 N GLN A 498 -7.120 -18.272 -0.711 1.00 32.33 N ATOM 1601 CA GLN A 498 -8.280 -17.712 -0.039 1.00 32.32 C ATOM 1602 C GLN A 498 -8.943 -16.651 -0.919 1.00 72.52 C ATOM 1603 O GLN A 498 -10.042 -16.189 -0.618 1.00 33.32 O ATOM 1604 CB GLN A 498 -7.897 -17.135 1.324 1.00 74.04 C ATOM 1605 CG GLN A 498 -6.783 -17.955 1.975 1.00 25.01 C ATOM 1606 CD GLN A 498 -6.934 -17.973 3.498 1.00 24.51 C ATOM 1607 OE1 GLN A 498 -6.508 -17.070 4.201 1.00 53.10 O ATOM 1608 NE2 GLN A 498 -7.559 -19.048 3.967 1.00 5.54 N ATOM 0 H GLN A 498 -6.224 -18.019 -0.295 1.00 32.33 H new ATOM 0 HA GLN A 498 -8.999 -18.513 0.132 1.00 32.32 H new ATOM 0 HB2 GLN A 498 -7.571 -16.102 1.206 1.00 74.04 H new ATOM 0 HB3 GLN A 498 -8.771 -17.121 1.975 1.00 74.04 H new ATOM 0 HG2 GLN A 498 -6.806 -18.975 1.592 1.00 25.01 H new ATOM 0 HG3 GLN A 498 -5.813 -17.535 1.707 1.00 25.01 H new ATOM 0 HE21 GLN A 498 -7.890 -19.767 3.323 1.00 5.54 H new ATOM 0 HE22 GLN A 498 -7.707 -19.154 4.971 1.00 5.54 H new ATOM 1615 N LEU A 499 -8.246 -16.296 -1.989 1.00 53.24 N ATOM 1616 CA LEU A 499 -8.754 -15.298 -2.915 1.00 42.42 C ATOM 1617 C LEU A 499 -9.345 -15.998 -4.139 1.00 43.51 C ATOM 1618 O LEU A 499 -9.136 -17.193 -4.337 1.00 11.13 O ATOM 1619 CB LEU A 499 -7.663 -14.280 -3.255 1.00 21.34 C ATOM 1620 CG LEU A 499 -6.693 -13.932 -2.126 1.00 44.33 C ATOM 1621 CD1 LEU A 499 -5.665 -12.896 -2.583 1.00 11.22 C ATOM 1622 CD2 LEU A 499 -7.448 -13.475 -0.875 1.00 54.11 C ATOM 0 H LEU A 499 -7.334 -16.682 -2.235 1.00 53.24 H new ATOM 0 HA LEU A 499 -9.560 -14.726 -2.455 1.00 42.42 H new ATOM 0 HB2 LEU A 499 -7.086 -14.663 -4.097 1.00 21.34 H new ATOM 0 HB3 LEU A 499 -8.144 -13.361 -3.590 1.00 21.34 H new ATOM 0 HG LEU A 499 -6.143 -14.835 -1.860 1.00 44.33 H new ATOM 0 HD11 LEU A 499 -4.988 -12.667 -1.760 1.00 11.22 H new ATOM 0 HD12 LEU A 499 -5.095 -13.295 -3.422 1.00 11.22 H new ATOM 0 HD13 LEU A 499 -6.179 -11.986 -2.894 1.00 11.22 H new ATOM 0 HD21 LEU A 499 -6.734 -13.234 -0.087 1.00 54.11 H new ATOM 0 HD22 LEU A 499 -8.041 -12.591 -1.111 1.00 54.11 H new ATOM 0 HD23 LEU A 499 -8.107 -14.274 -0.535 1.00 54.11 H new ATOM 1633 N SER A 500 -10.074 -15.223 -4.930 1.00 62.21 N ATOM 1634 CA SER A 500 -10.697 -15.754 -6.129 1.00 14.33 C ATOM 1635 C SER A 500 -9.629 -16.104 -7.164 1.00 75.55 C ATOM 1636 O SER A 500 -8.510 -15.591 -7.106 1.00 4.33 O ATOM 1637 CB SER A 500 -11.700 -14.757 -6.716 1.00 44.33 C ATOM 1638 OG SER A 500 -12.690 -14.373 -5.766 1.00 11.14 O ATOM 0 H SER A 500 -10.246 -14.232 -4.763 1.00 62.21 H new ATOM 0 HA SER A 500 -11.241 -16.659 -5.859 1.00 14.33 H new ATOM 0 HB2 SER A 500 -11.169 -13.871 -7.064 1.00 44.33 H new ATOM 0 HB3 SER A 500 -12.185 -15.200 -7.586 1.00 44.33 H new ATOM 0 HG SER A 500 -13.309 -13.735 -6.179 1.00 11.14 H new ATOM 1643 N SER A 501 -10.007 -16.972 -8.091 1.00 31.12 N ATOM 1644 CA SER A 501 -9.094 -17.396 -9.137 1.00 34.40 C ATOM 1645 C SER A 501 -8.833 -16.241 -10.104 1.00 51.11 C ATOM 1646 O SER A 501 -7.925 -16.310 -10.933 1.00 52.44 O ATOM 1647 CB SER A 501 -9.647 -18.606 -9.895 1.00 64.33 C ATOM 1648 OG SER A 501 -8.791 -19.005 -10.962 1.00 71.04 O ATOM 0 H SER A 501 -10.935 -17.393 -8.139 1.00 31.12 H new ATOM 0 HA SER A 501 -8.154 -17.691 -8.670 1.00 34.40 H new ATOM 0 HB2 SER A 501 -9.776 -19.439 -9.204 1.00 64.33 H new ATOM 0 HB3 SER A 501 -10.633 -18.365 -10.292 1.00 64.33 H new ATOM 0 HG SER A 501 -8.239 -18.245 -11.240 1.00 71.04 H new ATOM 1653 N ASP A 502 -9.645 -15.202 -9.968 1.00 52.30 N ATOM 1654 CA ASP A 502 -9.514 -14.032 -10.820 1.00 24.30 C ATOM 1655 C ASP A 502 -8.418 -13.122 -10.262 1.00 52.45 C ATOM 1656 O ASP A 502 -7.685 -12.492 -11.022 1.00 64.43 O ATOM 1657 CB ASP A 502 -10.818 -13.231 -10.859 1.00 13.14 C ATOM 1658 CG ASP A 502 -12.051 -14.027 -11.290 1.00 13.33 C ATOM 1659 OD1 ASP A 502 -12.339 -14.161 -12.488 1.00 54.33 O ATOM 1660 OD2 ASP A 502 -12.741 -14.530 -10.323 1.00 42.42 O ATOM 0 H ASP A 502 -10.396 -15.146 -9.280 1.00 52.30 H new ATOM 0 HA ASP A 502 -9.269 -14.372 -11.826 1.00 24.30 H new ATOM 0 HB2 ASP A 502 -11.001 -12.814 -9.869 1.00 13.14 H new ATOM 0 HB3 ASP A 502 -10.690 -12.390 -11.540 1.00 13.14 H new ATOM 1665 N THR A 503 -8.342 -13.082 -8.939 1.00 30.54 N ATOM 1666 CA THR A 503 -7.347 -12.259 -8.272 1.00 62.31 C ATOM 1667 C THR A 503 -5.987 -12.403 -8.960 1.00 1.11 C ATOM 1668 O THR A 503 -5.160 -11.495 -8.903 1.00 4.41 O ATOM 1669 CB THR A 503 -7.325 -12.652 -6.793 1.00 71.54 C ATOM 1670 OG1 THR A 503 -8.434 -11.954 -6.233 1.00 2.11 O ATOM 1671 CG2 THR A 503 -6.113 -12.079 -6.054 1.00 53.30 C ATOM 0 H THR A 503 -8.953 -13.606 -8.312 1.00 30.54 H new ATOM 0 HA THR A 503 -7.599 -11.201 -8.339 1.00 62.31 H new ATOM 0 HB THR A 503 -7.324 -13.738 -6.705 1.00 71.54 H new ATOM 0 HG1 THR A 503 -8.177 -11.573 -5.367 1.00 2.11 H new ATOM 0 HG21 THR A 503 -6.145 -12.387 -5.009 1.00 53.30 H new ATOM 0 HG22 THR A 503 -5.197 -12.451 -6.514 1.00 53.30 H new ATOM 0 HG23 THR A 503 -6.133 -10.991 -6.112 1.00 53.30 H new ATOM 1679 N ALA A 504 -5.799 -13.552 -9.592 1.00 22.02 N ATOM 1680 CA ALA A 504 -4.554 -13.826 -10.290 1.00 24.00 C ATOM 1681 C ALA A 504 -4.468 -12.944 -11.536 1.00 34.12 C ATOM 1682 O ALA A 504 -3.438 -12.317 -11.788 1.00 0.44 O ATOM 1683 CB ALA A 504 -4.474 -15.317 -10.624 1.00 21.34 C ATOM 0 H ALA A 504 -6.487 -14.304 -9.635 1.00 22.02 H new ATOM 0 HA ALA A 504 -3.699 -13.587 -9.658 1.00 24.00 H new ATOM 0 HB1 ALA A 504 -3.540 -15.523 -11.148 1.00 21.34 H new ATOM 0 HB2 ALA A 504 -4.509 -15.899 -9.703 1.00 21.34 H new ATOM 0 HB3 ALA A 504 -5.315 -15.593 -11.260 1.00 21.34 H new ATOM 1689 N SER A 505 -5.561 -12.922 -12.284 1.00 20.12 N ATOM 1690 CA SER A 505 -5.621 -12.126 -13.498 1.00 73.32 C ATOM 1691 C SER A 505 -5.771 -10.645 -13.147 1.00 3.11 C ATOM 1692 O SER A 505 -5.430 -9.775 -13.947 1.00 52.10 O ATOM 1693 CB SER A 505 -6.775 -12.578 -14.396 1.00 31.25 C ATOM 1694 OG SER A 505 -7.027 -11.652 -15.448 1.00 35.12 O ATOM 0 H SER A 505 -6.412 -13.443 -12.073 1.00 20.12 H new ATOM 0 HA SER A 505 -4.690 -12.270 -14.047 1.00 73.32 H new ATOM 0 HB2 SER A 505 -6.543 -13.555 -14.821 1.00 31.25 H new ATOM 0 HB3 SER A 505 -7.676 -12.698 -13.795 1.00 31.25 H new ATOM 0 HG SER A 505 -7.769 -11.977 -15.999 1.00 35.12 H new ATOM 1699 N LEU A 506 -6.284 -10.403 -11.949 1.00 24.22 N ATOM 1700 CA LEU A 506 -6.484 -9.042 -11.481 1.00 54.43 C ATOM 1701 C LEU A 506 -5.123 -8.391 -11.223 1.00 12.20 C ATOM 1702 O LEU A 506 -4.947 -7.198 -11.460 1.00 52.24 O ATOM 1703 CB LEU A 506 -7.414 -9.023 -10.266 1.00 24.44 C ATOM 1704 CG LEU A 506 -8.815 -9.597 -10.487 1.00 52.51 C ATOM 1705 CD1 LEU A 506 -9.499 -9.902 -9.153 1.00 22.31 C ATOM 1706 CD2 LEU A 506 -9.656 -8.667 -11.363 1.00 12.52 C ATOM 0 H LEU A 506 -6.567 -11.127 -11.289 1.00 24.22 H new ATOM 0 HA LEU A 506 -6.984 -8.447 -12.245 1.00 54.43 H new ATOM 0 HB2 LEU A 506 -6.937 -9.580 -9.459 1.00 24.44 H new ATOM 0 HB3 LEU A 506 -7.514 -7.992 -9.926 1.00 24.44 H new ATOM 0 HG LEU A 506 -8.717 -10.542 -11.022 1.00 52.51 H new ATOM 0 HD11 LEU A 506 -10.493 -10.309 -9.338 1.00 22.31 H new ATOM 0 HD12 LEU A 506 -8.907 -10.630 -8.598 1.00 22.31 H new ATOM 0 HD13 LEU A 506 -9.585 -8.985 -8.570 1.00 22.31 H new ATOM 0 HD21 LEU A 506 -10.647 -9.098 -11.505 1.00 12.52 H new ATOM 0 HD22 LEU A 506 -9.749 -7.695 -10.878 1.00 12.52 H new ATOM 0 HD23 LEU A 506 -9.172 -8.544 -12.332 1.00 12.52 H new ATOM 1717 N LEU A 507 -4.195 -9.204 -10.740 1.00 14.24 N ATOM 1718 CA LEU A 507 -2.855 -8.723 -10.448 1.00 4.54 C ATOM 1719 C LEU A 507 -1.872 -9.322 -11.454 1.00 31.21 C ATOM 1720 O LEU A 507 -0.667 -9.350 -11.209 1.00 3.31 O ATOM 1721 CB LEU A 507 -2.492 -9.007 -8.988 1.00 15.24 C ATOM 1722 CG LEU A 507 -2.294 -10.479 -8.621 1.00 72.02 C ATOM 1723 CD1 LEU A 507 -0.833 -10.897 -8.797 1.00 2.31 C ATOM 1724 CD2 LEU A 507 -2.807 -10.765 -7.208 1.00 21.53 C ATOM 0 H LEU A 507 -4.345 -10.194 -10.543 1.00 14.24 H new ATOM 0 HA LEU A 507 -2.805 -7.640 -10.561 1.00 4.54 H new ATOM 0 HB2 LEU A 507 -1.575 -8.467 -8.751 1.00 15.24 H new ATOM 0 HB3 LEU A 507 -3.277 -8.597 -8.353 1.00 15.24 H new ATOM 0 HG LEU A 507 -2.886 -11.085 -9.307 1.00 72.02 H new ATOM 0 HD11 LEU A 507 -0.720 -11.948 -8.529 1.00 2.31 H new ATOM 0 HD12 LEU A 507 -0.536 -10.753 -9.836 1.00 2.31 H new ATOM 0 HD13 LEU A 507 -0.200 -10.288 -8.151 1.00 2.31 H new ATOM 0 HD21 LEU A 507 -2.655 -11.818 -6.972 1.00 21.53 H new ATOM 0 HD22 LEU A 507 -2.262 -10.150 -6.492 1.00 21.53 H new ATOM 0 HD23 LEU A 507 -3.870 -10.531 -7.153 1.00 21.53 H new ATOM 1735 N SER A 508 -2.423 -9.783 -12.568 1.00 73.04 N ATOM 1736 CA SER A 508 -1.608 -10.379 -13.615 1.00 53.33 C ATOM 1737 C SER A 508 -0.578 -9.364 -14.116 1.00 0.02 C ATOM 1738 O SER A 508 -0.915 -8.452 -14.870 1.00 44.03 O ATOM 1739 CB SER A 508 -2.476 -10.872 -14.773 1.00 32.22 C ATOM 1740 OG SER A 508 -1.786 -10.812 -16.019 1.00 11.00 O ATOM 0 H SER A 508 -3.423 -9.756 -12.769 1.00 73.04 H new ATOM 0 HA SER A 508 -1.086 -11.240 -13.196 1.00 53.33 H new ATOM 0 HB2 SER A 508 -2.789 -11.898 -14.581 1.00 32.22 H new ATOM 0 HB3 SER A 508 -3.382 -10.268 -14.830 1.00 32.22 H new ATOM 0 HG SER A 508 -2.373 -11.136 -16.734 1.00 11.00 H new ATOM 1745 N GLY A 509 0.657 -9.558 -13.677 1.00 33.41 N ATOM 1746 CA GLY A 509 1.738 -8.672 -14.073 1.00 61.22 C ATOM 1747 C GLY A 509 2.302 -7.922 -12.864 1.00 42.22 C ATOM 1748 O GLY A 509 3.451 -7.483 -12.881 1.00 33.41 O ATOM 0 H GLY A 509 0.933 -10.315 -13.052 1.00 33.41 H new ATOM 0 HA2 GLY A 509 2.530 -9.249 -14.550 1.00 61.22 H new ATOM 0 HA3 GLY A 509 1.375 -7.958 -14.812 1.00 61.22 H new ATOM 1752 N LEU A 510 1.466 -7.795 -11.844 1.00 51.00 N ATOM 1753 CA LEU A 510 1.865 -7.104 -10.631 1.00 62.31 C ATOM 1754 C LEU A 510 2.918 -7.940 -9.897 1.00 51.45 C ATOM 1755 O LEU A 510 3.354 -8.974 -10.398 1.00 34.10 O ATOM 1756 CB LEU A 510 0.641 -6.770 -9.775 1.00 74.21 C ATOM 1757 CG LEU A 510 -0.344 -5.767 -10.379 1.00 72.43 C ATOM 1758 CD1 LEU A 510 -1.417 -5.373 -9.364 1.00 41.52 C ATOM 1759 CD2 LEU A 510 0.391 -4.546 -10.940 1.00 1.54 C ATOM 0 H LEU A 510 0.513 -8.159 -11.833 1.00 51.00 H new ATOM 0 HA LEU A 510 2.326 -6.147 -10.873 1.00 62.31 H new ATOM 0 HB2 LEU A 510 0.105 -7.696 -9.566 1.00 74.21 H new ATOM 0 HB3 LEU A 510 0.987 -6.379 -8.818 1.00 74.21 H new ATOM 0 HG LEU A 510 -0.853 -6.249 -11.214 1.00 72.43 H new ATOM 0 HD11 LEU A 510 -2.104 -4.659 -9.819 1.00 41.52 H new ATOM 0 HD12 LEU A 510 -1.969 -6.261 -9.054 1.00 41.52 H new ATOM 0 HD13 LEU A 510 -0.945 -4.917 -8.494 1.00 41.52 H new ATOM 0 HD21 LEU A 510 -0.332 -3.849 -11.363 1.00 1.54 H new ATOM 0 HD22 LEU A 510 0.943 -4.054 -10.139 1.00 1.54 H new ATOM 0 HD23 LEU A 510 1.086 -4.865 -11.717 1.00 1.54 H new ATOM 1770 N VAL A 511 3.295 -7.458 -8.721 1.00 13.44 N ATOM 1771 CA VAL A 511 4.287 -8.147 -7.914 1.00 2.54 C ATOM 1772 C VAL A 511 3.691 -8.462 -6.539 1.00 14.33 C ATOM 1773 O VAL A 511 3.516 -7.566 -5.715 1.00 11.12 O ATOM 1774 CB VAL A 511 5.567 -7.313 -7.834 1.00 44.53 C ATOM 1775 CG1 VAL A 511 6.408 -7.715 -6.620 1.00 4.34 C ATOM 1776 CG2 VAL A 511 6.376 -7.426 -9.126 1.00 61.44 C ATOM 0 H VAL A 511 2.931 -6.599 -8.308 1.00 13.44 H new ATOM 0 HA VAL A 511 4.562 -9.096 -8.374 1.00 2.54 H new ATOM 0 HB VAL A 511 5.280 -6.269 -7.710 1.00 44.53 H new ATOM 0 HG11 VAL A 511 7.312 -7.107 -6.586 1.00 4.34 H new ATOM 0 HG12 VAL A 511 5.831 -7.557 -5.709 1.00 4.34 H new ATOM 0 HG13 VAL A 511 6.681 -8.767 -6.699 1.00 4.34 H new ATOM 0 HG21 VAL A 511 7.281 -6.824 -9.043 1.00 61.44 H new ATOM 0 HG22 VAL A 511 6.648 -8.468 -9.295 1.00 61.44 H new ATOM 0 HG23 VAL A 511 5.777 -7.067 -9.963 1.00 61.44 H new ATOM 1786 N ARG A 512 3.396 -9.738 -6.337 1.00 32.30 N ATOM 1787 CA ARG A 512 2.823 -10.182 -5.077 1.00 31.14 C ATOM 1788 C ARG A 512 3.913 -10.294 -4.010 1.00 5.30 C ATOM 1789 O ARG A 512 4.968 -10.879 -4.253 1.00 54.54 O ATOM 1790 CB ARG A 512 2.131 -11.538 -5.236 1.00 1.15 C ATOM 1791 CG ARG A 512 1.053 -11.730 -4.167 1.00 3.24 C ATOM 1792 CD ARG A 512 0.151 -12.920 -4.507 1.00 43.34 C ATOM 1793 NE ARG A 512 0.814 -14.184 -4.121 1.00 2.02 N ATOM 1794 CZ ARG A 512 1.676 -14.859 -4.910 1.00 31.35 C ATOM 1795 NH1 ARG A 512 1.988 -14.395 -6.140 1.00 4.55 N ATOM 1796 NH2 ARG A 512 2.211 -15.981 -4.463 1.00 5.11 N ATOM 0 H ARG A 512 3.543 -10.478 -7.024 1.00 32.30 H new ATOM 0 HA ARG A 512 2.083 -9.443 -4.769 1.00 31.14 H new ATOM 0 HB2 ARG A 512 1.683 -11.608 -6.227 1.00 1.15 H new ATOM 0 HB3 ARG A 512 2.868 -12.338 -5.163 1.00 1.15 H new ATOM 0 HG2 ARG A 512 1.522 -11.890 -3.196 1.00 3.24 H new ATOM 0 HG3 ARG A 512 0.452 -10.825 -4.085 1.00 3.24 H new ATOM 0 HD2 ARG A 512 -0.802 -12.825 -3.986 1.00 43.34 H new ATOM 0 HD3 ARG A 512 -0.069 -12.927 -5.574 1.00 43.34 H new ATOM 0 HE ARG A 512 0.607 -14.570 -3.200 1.00 2.02 H new ATOM 0 HH11 ARG A 512 1.571 -13.528 -6.479 1.00 4.55 H new ATOM 0 HH12 ARG A 512 2.641 -14.912 -6.730 1.00 4.55 H new ATOM 0 HH21 ARG A 512 1.971 -16.326 -3.534 1.00 5.11 H new ATOM 0 HH22 ARG A 512 2.864 -16.503 -5.047 1.00 5.11 H new ATOM 1806 N LEU A 513 3.620 -9.726 -2.850 1.00 51.40 N ATOM 1807 CA LEU A 513 4.561 -9.755 -1.744 1.00 41.45 C ATOM 1808 C LEU A 513 4.146 -10.847 -0.754 1.00 61.43 C ATOM 1809 O LEU A 513 2.958 -11.107 -0.574 1.00 2.00 O ATOM 1810 CB LEU A 513 4.687 -8.367 -1.110 1.00 14.14 C ATOM 1811 CG LEU A 513 5.789 -7.470 -1.676 1.00 75.42 C ATOM 1812 CD1 LEU A 513 6.116 -7.848 -3.123 1.00 3.41 C ATOM 1813 CD2 LEU A 513 5.416 -5.992 -1.541 1.00 14.40 C ATOM 0 H LEU A 513 2.744 -9.243 -2.652 1.00 51.40 H new ATOM 0 HA LEU A 513 5.559 -10.010 -2.101 1.00 41.45 H new ATOM 0 HB2 LEU A 513 3.733 -7.851 -1.220 1.00 14.14 H new ATOM 0 HB3 LEU A 513 4.860 -8.492 -0.041 1.00 14.14 H new ATOM 0 HG LEU A 513 6.694 -7.630 -1.089 1.00 75.42 H new ATOM 0 HD11 LEU A 513 6.902 -7.195 -3.501 1.00 3.41 H new ATOM 0 HD12 LEU A 513 6.455 -8.883 -3.161 1.00 3.41 H new ATOM 0 HD13 LEU A 513 5.224 -7.736 -3.739 1.00 3.41 H new ATOM 0 HD21 LEU A 513 6.216 -5.376 -1.951 1.00 14.40 H new ATOM 0 HD22 LEU A 513 4.493 -5.798 -2.087 1.00 14.40 H new ATOM 0 HD23 LEU A 513 5.273 -5.748 -0.488 1.00 14.40 H new ATOM 1824 N ASP A 514 5.150 -11.456 -0.139 1.00 51.14 N ATOM 1825 CA ASP A 514 4.904 -12.512 0.826 1.00 33.11 C ATOM 1826 C ASP A 514 5.961 -12.445 1.930 1.00 2.20 C ATOM 1827 O ASP A 514 7.155 -12.357 1.647 1.00 1.11 O ATOM 1828 CB ASP A 514 4.995 -13.891 0.170 1.00 54.21 C ATOM 1829 CG ASP A 514 3.764 -14.303 -0.642 1.00 5.41 C ATOM 1830 OD1 ASP A 514 3.235 -13.520 -1.444 1.00 60.44 O ATOM 1831 OD2 ASP A 514 3.342 -15.502 -0.420 1.00 2.33 O ATOM 0 H ASP A 514 6.135 -11.238 -0.291 1.00 51.14 H new ATOM 0 HA ASP A 514 3.902 -12.370 1.231 1.00 33.11 H new ATOM 0 HB2 ASP A 514 5.866 -13.909 -0.485 1.00 54.21 H new ATOM 0 HB3 ASP A 514 5.165 -14.636 0.947 1.00 54.21 H new ATOM 1836 N GLU A 515 5.484 -12.489 3.165 1.00 71.03 N ATOM 1837 CA GLU A 515 6.374 -12.433 4.313 1.00 20.35 C ATOM 1838 C GLU A 515 7.113 -13.763 4.476 1.00 33.02 C ATOM 1839 O GLU A 515 7.964 -13.901 5.354 1.00 65.23 O ATOM 1840 CB GLU A 515 5.605 -12.075 5.587 1.00 15.02 C ATOM 1841 CG GLU A 515 4.417 -11.164 5.271 1.00 25.14 C ATOM 1842 CD GLU A 515 4.276 -10.063 6.323 1.00 44.24 C ATOM 1843 OE1 GLU A 515 5.285 -9.492 6.763 1.00 54.52 O ATOM 1844 OE2 GLU A 515 3.063 -9.805 6.683 1.00 65.51 O ATOM 0 H GLU A 515 4.493 -12.563 3.396 1.00 71.03 H new ATOM 0 HA GLU A 515 7.110 -11.648 4.139 1.00 20.35 H new ATOM 0 HB2 GLU A 515 5.251 -12.985 6.071 1.00 15.02 H new ATOM 0 HB3 GLU A 515 6.272 -11.578 6.291 1.00 15.02 H new ATOM 0 HG2 GLU A 515 4.549 -10.716 4.286 1.00 25.14 H new ATOM 0 HG3 GLU A 515 3.502 -11.754 5.232 1.00 25.14 H new ATOM 1850 N HIS A 516 6.763 -14.708 3.616 1.00 12.22 N ATOM 1851 CA HIS A 516 7.383 -16.023 3.654 1.00 62.35 C ATOM 1852 C HIS A 516 8.058 -16.309 2.310 1.00 62.30 C ATOM 1853 O HIS A 516 7.920 -17.400 1.762 1.00 1.15 O ATOM 1854 CB HIS A 516 6.364 -17.094 4.045 1.00 54.40 C ATOM 1855 CG HIS A 516 5.147 -17.140 3.151 1.00 32.30 C ATOM 1856 ND1 HIS A 516 3.884 -17.457 3.618 1.00 55.00 N ATOM 1857 CD2 HIS A 516 5.015 -16.905 1.814 1.00 4.15 C ATOM 1858 CE1 HIS A 516 3.037 -17.414 2.600 1.00 71.13 C ATOM 1859 NE2 HIS A 516 3.741 -17.072 1.482 1.00 23.15 N ATOM 0 H HIS A 516 6.058 -14.590 2.888 1.00 12.22 H new ATOM 0 HA HIS A 516 8.156 -16.043 4.423 1.00 62.35 H new ATOM 0 HB2 HIS A 516 6.852 -18.069 4.028 1.00 54.40 H new ATOM 0 HB3 HIS A 516 6.042 -16.917 5.071 1.00 54.40 H new ATOM 0 HD2 HIS A 516 5.812 -16.630 1.140 1.00 4.15 H new ATOM 0 HE1 HIS A 516 1.977 -17.614 2.647 1.00 71.13 H new ATOM 0 HE2 HIS A 516 3.352 -16.963 0.545 1.00 23.15 H new ATOM 1866 N SER A 517 8.776 -15.308 1.820 1.00 23.44 N ATOM 1867 CA SER A 517 9.474 -15.440 0.552 1.00 41.11 C ATOM 1868 C SER A 517 10.883 -14.856 0.668 1.00 60.24 C ATOM 1869 O SER A 517 11.051 -13.705 1.067 1.00 60.41 O ATOM 1870 CB SER A 517 8.703 -14.748 -0.574 1.00 70.01 C ATOM 1871 OG SER A 517 9.006 -15.307 -1.850 1.00 61.53 O ATOM 0 H SER A 517 8.889 -14.403 2.278 1.00 23.44 H new ATOM 0 HA SER A 517 9.546 -16.500 0.309 1.00 41.11 H new ATOM 0 HB2 SER A 517 7.633 -14.833 -0.386 1.00 70.01 H new ATOM 0 HB3 SER A 517 8.943 -13.685 -0.578 1.00 70.01 H new ATOM 0 HG SER A 517 8.493 -14.840 -2.542 1.00 61.53 H new ATOM 1876 N GLN A 518 11.860 -15.676 0.311 1.00 23.04 N ATOM 1877 CA GLN A 518 13.250 -15.256 0.370 1.00 64.32 C ATOM 1878 C GLN A 518 13.564 -14.299 -0.781 1.00 34.42 C ATOM 1879 O GLN A 518 14.682 -13.798 -0.890 1.00 24.33 O ATOM 1880 CB GLN A 518 14.189 -16.463 0.353 1.00 34.43 C ATOM 1881 CG GLN A 518 14.139 -17.177 -1.001 1.00 13.40 C ATOM 1882 CD GLN A 518 15.423 -17.969 -1.251 1.00 24.54 C ATOM 1883 OE1 GLN A 518 15.892 -18.722 -0.412 1.00 23.34 O ATOM 1884 NE2 GLN A 518 15.965 -17.760 -2.447 1.00 12.02 N ATOM 0 H GLN A 518 11.717 -16.630 -0.020 1.00 23.04 H new ATOM 0 HA GLN A 518 13.410 -14.727 1.310 1.00 64.32 H new ATOM 0 HB2 GLN A 518 15.209 -16.138 0.560 1.00 34.43 H new ATOM 0 HB3 GLN A 518 13.909 -17.157 1.145 1.00 34.43 H new ATOM 0 HG2 GLN A 518 13.281 -17.849 -1.030 1.00 13.40 H new ATOM 0 HG3 GLN A 518 13.998 -16.446 -1.797 1.00 13.40 H new ATOM 0 HE21 GLN A 518 15.521 -17.117 -3.103 1.00 12.02 H new ATOM 0 HE22 GLN A 518 16.824 -18.243 -2.709 1.00 12.02 H new ATOM 1891 N ILE A 519 12.557 -14.074 -1.612 1.00 51.15 N ATOM 1892 CA ILE A 519 12.712 -13.186 -2.753 1.00 23.01 C ATOM 1893 C ILE A 519 11.908 -11.907 -2.509 1.00 21.40 C ATOM 1894 O ILE A 519 12.260 -10.843 -3.019 1.00 13.34 O ATOM 1895 CB ILE A 519 12.341 -13.909 -4.049 1.00 20.01 C ATOM 1896 CG1 ILE A 519 11.561 -12.986 -4.987 1.00 73.33 C ATOM 1897 CG2 ILE A 519 11.579 -15.204 -3.756 1.00 55.05 C ATOM 1898 CD1 ILE A 519 12.461 -11.879 -5.541 1.00 64.30 C ATOM 0 H ILE A 519 11.631 -14.491 -1.519 1.00 51.15 H new ATOM 0 HA ILE A 519 13.755 -12.891 -2.869 1.00 23.01 H new ATOM 0 HB ILE A 519 13.262 -14.186 -4.561 1.00 20.01 H new ATOM 0 HG12 ILE A 519 11.144 -13.566 -5.810 1.00 73.33 H new ATOM 0 HG13 ILE A 519 10.721 -12.543 -4.452 1.00 73.33 H new ATOM 0 HG21 ILE A 519 11.327 -15.698 -4.694 1.00 55.05 H new ATOM 0 HG22 ILE A 519 12.203 -15.865 -3.154 1.00 55.05 H new ATOM 0 HG23 ILE A 519 10.664 -14.972 -3.211 1.00 55.05 H new ATOM 0 HD11 ILE A 519 11.882 -11.237 -6.205 1.00 64.30 H new ATOM 0 HD12 ILE A 519 12.857 -11.286 -4.717 1.00 64.30 H new ATOM 0 HD13 ILE A 519 13.286 -12.325 -6.096 1.00 64.30 H new ATOM 1909 N PHE A 520 10.846 -12.052 -1.731 1.00 31.52 N ATOM 1910 CA PHE A 520 9.991 -10.921 -1.415 1.00 1.43 C ATOM 1911 C PHE A 520 10.818 -9.655 -1.184 1.00 45.12 C ATOM 1912 O PHE A 520 10.402 -8.560 -1.558 1.00 15.43 O ATOM 1913 CB PHE A 520 9.244 -11.271 -0.126 1.00 23.41 C ATOM 1914 CG PHE A 520 8.898 -10.061 0.742 1.00 54.25 C ATOM 1915 CD1 PHE A 520 8.381 -8.940 0.170 1.00 35.34 C ATOM 1916 CD2 PHE A 520 9.106 -10.104 2.085 1.00 34.33 C ATOM 1917 CE1 PHE A 520 8.059 -7.814 0.974 1.00 21.51 C ATOM 1918 CE2 PHE A 520 8.784 -8.980 2.890 1.00 42.40 C ATOM 1919 CZ PHE A 520 8.268 -7.859 2.317 1.00 61.02 C ATOM 0 H PHE A 520 10.558 -12.935 -1.310 1.00 31.52 H new ATOM 0 HA PHE A 520 9.307 -10.729 -2.242 1.00 1.43 H new ATOM 0 HB2 PHE A 520 8.324 -11.796 -0.383 1.00 23.41 H new ATOM 0 HB3 PHE A 520 9.852 -11.962 0.458 1.00 23.41 H new ATOM 0 HD1 PHE A 520 8.215 -8.906 -0.897 1.00 35.34 H new ATOM 0 HD2 PHE A 520 9.516 -10.994 2.539 1.00 34.33 H new ATOM 0 HE1 PHE A 520 7.649 -6.924 0.520 1.00 21.51 H new ATOM 0 HE2 PHE A 520 8.949 -9.015 3.957 1.00 42.40 H new ATOM 0 HZ PHE A 520 8.024 -7.004 2.930 1.00 61.02 H new ATOM 1928 N ALA A 521 11.975 -9.848 -0.567 1.00 62.11 N ATOM 1929 CA ALA A 521 12.864 -8.735 -0.281 1.00 62.52 C ATOM 1930 C ALA A 521 13.173 -7.987 -1.579 1.00 34.14 C ATOM 1931 O ALA A 521 13.092 -6.761 -1.629 1.00 72.11 O ATOM 1932 CB ALA A 521 14.128 -9.256 0.407 1.00 53.44 C ATOM 0 H ALA A 521 12.317 -10.758 -0.258 1.00 62.11 H new ATOM 0 HA ALA A 521 12.389 -8.029 0.400 1.00 62.52 H new ATOM 0 HB1 ALA A 521 14.796 -8.422 0.622 1.00 53.44 H new ATOM 0 HB2 ALA A 521 13.857 -9.753 1.338 1.00 53.44 H new ATOM 0 HB3 ALA A 521 14.633 -9.965 -0.249 1.00 53.44 H new ATOM 1938 N ARG A 522 13.521 -8.758 -2.600 1.00 5.25 N ATOM 1939 CA ARG A 522 13.842 -8.184 -3.896 1.00 11.41 C ATOM 1940 C ARG A 522 12.571 -7.677 -4.582 1.00 43.01 C ATOM 1941 O ARG A 522 12.635 -6.807 -5.450 1.00 12.21 O ATOM 1942 CB ARG A 522 14.527 -9.212 -4.799 1.00 11.10 C ATOM 1943 CG ARG A 522 15.938 -9.526 -4.300 1.00 31.41 C ATOM 1944 CD ARG A 522 15.900 -10.524 -3.140 1.00 34.35 C ATOM 1945 NE ARG A 522 17.265 -11.023 -2.858 1.00 41.04 N ATOM 1946 CZ ARG A 522 17.601 -11.721 -1.753 1.00 61.31 C ATOM 1947 NH1 ARG A 522 16.673 -12.011 -0.816 1.00 63.14 N ATOM 1948 NH2 ARG A 522 18.852 -12.117 -1.602 1.00 0.20 N ATOM 0 H ARG A 522 13.588 -9.775 -2.556 1.00 5.25 H new ATOM 0 HA ARG A 522 14.525 -7.351 -3.730 1.00 11.41 H new ATOM 0 HB2 ARG A 522 13.936 -10.127 -4.828 1.00 11.10 H new ATOM 0 HB3 ARG A 522 14.575 -8.831 -5.819 1.00 11.10 H new ATOM 0 HG2 ARG A 522 16.534 -9.934 -5.116 1.00 31.41 H new ATOM 0 HG3 ARG A 522 16.427 -8.607 -3.978 1.00 31.41 H new ATOM 0 HD2 ARG A 522 15.488 -10.046 -2.251 1.00 34.35 H new ATOM 0 HD3 ARG A 522 15.243 -11.358 -3.388 1.00 34.35 H new ATOM 0 HE ARG A 522 17.997 -10.827 -3.541 1.00 41.04 H new ATOM 0 HH11 ARG A 522 15.709 -11.702 -0.940 1.00 63.14 H new ATOM 0 HH12 ARG A 522 16.936 -12.539 0.016 1.00 63.14 H new ATOM 0 HH21 ARG A 522 19.547 -11.894 -2.315 1.00 0.20 H new ATOM 0 HH22 ARG A 522 19.123 -12.645 -0.773 1.00 0.20 H new ATOM 1958 N LYS A 523 11.447 -8.242 -4.166 1.00 72.21 N ATOM 1959 CA LYS A 523 10.165 -7.859 -4.730 1.00 73.10 C ATOM 1960 C LYS A 523 9.805 -6.450 -4.256 1.00 71.12 C ATOM 1961 O LYS A 523 9.362 -5.618 -5.048 1.00 12.32 O ATOM 1962 CB LYS A 523 9.100 -8.908 -4.402 1.00 5.23 C ATOM 1963 CG LYS A 523 9.573 -10.310 -4.794 1.00 52.42 C ATOM 1964 CD LYS A 523 9.985 -10.357 -6.266 1.00 13.15 C ATOM 1965 CE LYS A 523 8.858 -9.846 -7.167 1.00 73.11 C ATOM 1966 NZ LYS A 523 9.047 -10.324 -8.555 1.00 73.45 N ATOM 0 H LYS A 523 11.398 -8.962 -3.445 1.00 72.21 H new ATOM 0 HA LYS A 523 10.223 -7.826 -5.818 1.00 73.10 H new ATOM 0 HB2 LYS A 523 8.874 -8.881 -3.336 1.00 5.23 H new ATOM 0 HB3 LYS A 523 8.176 -8.671 -4.930 1.00 5.23 H new ATOM 0 HG2 LYS A 523 10.416 -10.602 -4.167 1.00 52.42 H new ATOM 0 HG3 LYS A 523 8.776 -11.031 -4.612 1.00 52.42 H new ATOM 0 HD2 LYS A 523 10.879 -9.752 -6.417 1.00 13.15 H new ATOM 0 HD3 LYS A 523 10.242 -11.379 -6.543 1.00 13.15 H new ATOM 0 HE2 LYS A 523 7.896 -10.189 -6.786 1.00 73.11 H new ATOM 0 HE3 LYS A 523 8.837 -8.756 -7.151 1.00 73.11 H new ATOM 0 HZ1 LYS A 523 8.274 -9.968 -9.153 1.00 73.45 H new ATOM 0 HZ2 LYS A 523 9.956 -9.976 -8.921 1.00 73.45 H new ATOM 0 HZ3 LYS A 523 9.044 -11.364 -8.567 1.00 73.45 H new ATOM 1975 N VAL A 524 10.009 -6.222 -2.967 1.00 5.24 N ATOM 1976 CA VAL A 524 9.713 -4.927 -2.379 1.00 13.54 C ATOM 1977 C VAL A 524 10.809 -3.934 -2.765 1.00 50.32 C ATOM 1978 O VAL A 524 10.520 -2.791 -3.116 1.00 61.51 O ATOM 1979 CB VAL A 524 9.538 -5.068 -0.865 1.00 32.00 C ATOM 1980 CG1 VAL A 524 10.894 -5.061 -0.155 1.00 1.23 C ATOM 1981 CG2 VAL A 524 8.624 -3.971 -0.314 1.00 33.14 C ATOM 0 H VAL A 524 10.376 -6.913 -2.313 1.00 5.24 H new ATOM 0 HA VAL A 524 8.772 -4.537 -2.766 1.00 13.54 H new ATOM 0 HB VAL A 524 9.062 -6.029 -0.670 1.00 32.00 H new ATOM 0 HG11 VAL A 524 10.743 -5.162 0.920 1.00 1.23 H new ATOM 0 HG12 VAL A 524 11.498 -5.893 -0.516 1.00 1.23 H new ATOM 0 HG13 VAL A 524 11.408 -4.122 -0.362 1.00 1.23 H new ATOM 0 HG21 VAL A 524 8.516 -4.094 0.764 1.00 33.14 H new ATOM 0 HG22 VAL A 524 9.059 -2.994 -0.526 1.00 33.14 H new ATOM 0 HG23 VAL A 524 7.644 -4.042 -0.787 1.00 33.14 H new ATOM 1991 N ALA A 525 12.045 -4.405 -2.687 1.00 74.42 N ATOM 1992 CA ALA A 525 13.186 -3.571 -3.024 1.00 22.21 C ATOM 1993 C ALA A 525 13.172 -3.276 -4.526 1.00 5.44 C ATOM 1994 O ALA A 525 13.940 -2.445 -5.006 1.00 61.14 O ATOM 1995 CB ALA A 525 14.474 -4.266 -2.578 1.00 72.34 C ATOM 0 H ALA A 525 12.281 -5.353 -2.395 1.00 74.42 H new ATOM 0 HA ALA A 525 13.132 -2.616 -2.501 1.00 22.21 H new ATOM 0 HB1 ALA A 525 15.331 -3.641 -2.830 1.00 72.34 H new ATOM 0 HB2 ALA A 525 14.447 -4.426 -1.500 1.00 72.34 H new ATOM 0 HB3 ALA A 525 14.564 -5.227 -3.085 1.00 72.34 H new ATOM 2001 N ASN A 526 12.289 -3.976 -5.225 1.00 23.41 N ATOM 2002 CA ASN A 526 12.166 -3.800 -6.662 1.00 52.40 C ATOM 2003 C ASN A 526 11.229 -2.624 -6.948 1.00 14.02 C ATOM 2004 O ASN A 526 11.593 -1.698 -7.671 1.00 32.14 O ATOM 2005 CB ASN A 526 11.572 -5.047 -7.320 1.00 63.31 C ATOM 2006 CG ASN A 526 12.672 -5.928 -7.916 1.00 31.41 C ATOM 2007 OD1 ASN A 526 13.706 -5.459 -8.360 1.00 25.44 O ATOM 2008 ND2 ASN A 526 12.392 -7.228 -7.900 1.00 5.35 N ATOM 0 H ASN A 526 11.653 -4.665 -4.823 1.00 23.41 H new ATOM 0 HA ASN A 526 13.162 -3.618 -7.067 1.00 52.40 H new ATOM 0 HB2 ASN A 526 11.004 -5.616 -6.584 1.00 63.31 H new ATOM 0 HB3 ASN A 526 10.873 -4.752 -8.103 1.00 63.31 H new ATOM 0 HD21 ASN A 526 13.063 -7.899 -8.275 1.00 5.35 H new ATOM 0 HD22 ASN A 526 11.506 -7.554 -7.513 1.00 5.35 H new ATOM 2014 N THR A 527 10.042 -2.699 -6.366 1.00 5.15 N ATOM 2015 CA THR A 527 9.050 -1.653 -6.549 1.00 61.54 C ATOM 2016 C THR A 527 9.367 -0.455 -5.650 1.00 12.05 C ATOM 2017 O THR A 527 9.465 0.674 -6.128 1.00 61.13 O ATOM 2018 CB THR A 527 7.670 -2.259 -6.290 1.00 55.33 C ATOM 2019 OG1 THR A 527 6.764 -1.206 -6.609 1.00 31.22 O ATOM 2020 CG2 THR A 527 7.418 -2.529 -4.805 1.00 11.34 C ATOM 0 H THR A 527 9.744 -3.469 -5.767 1.00 5.15 H new ATOM 0 HA THR A 527 9.065 -1.268 -7.569 1.00 61.54 H new ATOM 0 HB THR A 527 7.571 -3.189 -6.850 1.00 55.33 H new ATOM 0 HG1 THR A 527 6.229 -0.984 -5.818 1.00 31.22 H new ATOM 0 HG21 THR A 527 6.425 -2.959 -4.677 1.00 11.34 H new ATOM 0 HG22 THR A 527 8.166 -3.227 -4.430 1.00 11.34 H new ATOM 0 HG23 THR A 527 7.483 -1.594 -4.249 1.00 11.34 H new ATOM 2028 N PHE A 528 9.517 -0.743 -4.367 1.00 5.52 N ATOM 2029 CA PHE A 528 9.820 0.296 -3.397 1.00 40.32 C ATOM 2030 C PHE A 528 11.327 0.534 -3.302 1.00 23.41 C ATOM 2031 O PHE A 528 11.917 0.389 -2.232 1.00 61.42 O ATOM 2032 CB PHE A 528 9.306 -0.193 -2.041 1.00 32.41 C ATOM 2033 CG PHE A 528 7.781 -0.200 -1.918 1.00 61.52 C ATOM 2034 CD1 PHE A 528 7.093 0.973 -1.932 1.00 63.11 C ATOM 2035 CD2 PHE A 528 7.114 -1.379 -1.797 1.00 63.02 C ATOM 2036 CE1 PHE A 528 5.678 0.967 -1.818 1.00 74.14 C ATOM 2037 CE2 PHE A 528 5.698 -1.384 -1.682 1.00 34.13 C ATOM 2038 CZ PHE A 528 5.011 -0.212 -1.696 1.00 52.35 C ATOM 0 H PHE A 528 9.435 -1.681 -3.975 1.00 5.52 H new ATOM 0 HA PHE A 528 9.349 1.233 -3.696 1.00 40.32 H new ATOM 0 HB2 PHE A 528 9.679 -1.202 -1.865 1.00 32.41 H new ATOM 0 HB3 PHE A 528 9.720 0.441 -1.257 1.00 32.41 H new ATOM 0 HD1 PHE A 528 7.623 1.909 -2.030 1.00 63.11 H new ATOM 0 HD2 PHE A 528 7.660 -2.311 -1.788 1.00 63.02 H new ATOM 0 HE1 PHE A 528 5.131 1.898 -1.828 1.00 74.14 H new ATOM 0 HE2 PHE A 528 5.168 -2.320 -1.583 1.00 34.13 H new ATOM 0 HZ PHE A 528 3.934 -0.217 -1.610 1.00 52.35 H new ATOM 2047 N LYS A 529 11.910 0.896 -4.435 1.00 30.42 N ATOM 2048 CA LYS A 529 13.339 1.156 -4.493 1.00 32.43 C ATOM 2049 C LYS A 529 13.652 2.439 -3.722 1.00 13.22 C ATOM 2050 O LYS A 529 12.796 3.313 -3.590 1.00 20.25 O ATOM 2051 CB LYS A 529 13.821 1.178 -5.946 1.00 23.43 C ATOM 2052 CG LYS A 529 13.858 -0.234 -6.534 1.00 1.35 C ATOM 2053 CD LYS A 529 13.806 -0.192 -8.063 1.00 23.43 C ATOM 2054 CE LYS A 529 14.289 -1.514 -8.663 1.00 2.00 C ATOM 2055 NZ LYS A 529 14.499 -1.376 -10.121 1.00 1.32 N ATOM 0 H LYS A 529 11.419 1.016 -5.321 1.00 30.42 H new ATOM 0 HA LYS A 529 13.892 0.351 -4.010 1.00 32.43 H new ATOM 0 HB2 LYS A 529 13.160 1.807 -6.542 1.00 23.43 H new ATOM 0 HB3 LYS A 529 14.815 1.623 -5.996 1.00 23.43 H new ATOM 0 HG2 LYS A 529 14.766 -0.743 -6.211 1.00 1.35 H new ATOM 0 HG3 LYS A 529 13.016 -0.813 -6.154 1.00 1.35 H new ATOM 0 HD2 LYS A 529 12.786 0.009 -8.391 1.00 23.43 H new ATOM 0 HD3 LYS A 529 14.426 0.626 -8.429 1.00 23.43 H new ATOM 0 HE2 LYS A 529 15.219 -1.820 -8.183 1.00 2.00 H new ATOM 0 HE3 LYS A 529 13.557 -2.298 -8.468 1.00 2.00 H new ATOM 0 HZ1 LYS A 529 14.827 -2.282 -10.512 1.00 1.32 H new ATOM 0 HZ2 LYS A 529 13.604 -1.106 -10.577 1.00 1.32 H new ATOM 0 HZ3 LYS A 529 15.214 -0.643 -10.301 1.00 1.32 H new ATOM 2064 N PRO A 530 14.914 2.514 -3.219 1.00 42.52 N ATOM 2065 CA PRO A 530 15.349 3.676 -2.463 1.00 34.53 C ATOM 2066 C PRO A 530 15.610 4.866 -3.389 1.00 71.11 C ATOM 2067 O PRO A 530 15.482 6.018 -2.977 1.00 4.14 O ATOM 2068 CB PRO A 530 16.592 3.218 -1.721 1.00 24.52 C ATOM 2069 CG PRO A 530 17.073 1.968 -2.441 1.00 73.02 C ATOM 2070 CD PRO A 530 15.952 1.499 -3.355 1.00 60.51 C ATOM 0 HA PRO A 530 14.592 4.031 -1.764 1.00 34.53 H new ATOM 0 HB2 PRO A 530 17.359 3.993 -1.729 1.00 24.52 H new ATOM 0 HB3 PRO A 530 16.366 3.004 -0.676 1.00 24.52 H new ATOM 0 HG2 PRO A 530 17.973 2.182 -3.018 1.00 73.02 H new ATOM 0 HG3 PRO A 530 17.332 1.189 -1.723 1.00 73.02 H new ATOM 0 HD2 PRO A 530 16.292 1.416 -4.387 1.00 60.51 H new ATOM 0 HD3 PRO A 530 15.586 0.516 -3.060 1.00 60.51 H new ATOM 2075 N HIS A 531 15.971 4.546 -4.623 1.00 71.03 N ATOM 2076 CA HIS A 531 16.250 5.574 -5.612 1.00 71.44 C ATOM 2077 C HIS A 531 14.945 6.250 -6.033 1.00 1.32 C ATOM 2078 O HIS A 531 14.964 7.281 -6.705 1.00 43.32 O ATOM 2079 CB HIS A 531 17.026 4.992 -6.795 1.00 73.35 C ATOM 2080 CG HIS A 531 16.149 4.471 -7.908 1.00 55.40 C ATOM 2081 ND1 HIS A 531 16.065 3.127 -8.229 1.00 61.53 N ATOM 2082 CD2 HIS A 531 15.318 5.125 -8.768 1.00 53.51 C ATOM 2083 CE1 HIS A 531 15.220 2.991 -9.240 1.00 42.20 C ATOM 2084 NE2 HIS A 531 14.757 4.231 -9.573 1.00 63.40 N ATOM 0 H HIS A 531 16.077 3.589 -4.961 1.00 71.03 H new ATOM 0 HA HIS A 531 16.889 6.341 -5.175 1.00 71.44 H new ATOM 0 HB2 HIS A 531 17.687 5.760 -7.196 1.00 73.35 H new ATOM 0 HB3 HIS A 531 17.661 4.181 -6.437 1.00 73.35 H new ATOM 0 HD1 HIS A 531 16.568 2.370 -7.766 1.00 61.53 H new ATOM 0 HD2 HIS A 531 15.145 6.191 -8.791 1.00 53.51 H new ATOM 0 HE1 HIS A 531 14.946 2.062 -9.717 1.00 42.20 H new ATOM 2091 N ARG A 532 13.842 5.643 -5.621 1.00 54.32 N ATOM 2092 CA ARG A 532 12.530 6.173 -5.947 1.00 53.44 C ATOM 2093 C ARG A 532 11.939 6.909 -4.742 1.00 20.44 C ATOM 2094 O ARG A 532 11.525 8.062 -4.857 1.00 1.40 O ATOM 2095 CB ARG A 532 11.573 5.056 -6.370 1.00 14.23 C ATOM 2096 CG ARG A 532 12.224 4.142 -7.411 1.00 74.24 C ATOM 2097 CD ARG A 532 11.942 4.640 -8.831 1.00 71.22 C ATOM 2098 NE ARG A 532 12.031 3.515 -9.789 1.00 4.22 N ATOM 2099 CZ ARG A 532 11.796 3.628 -11.112 1.00 34.13 C ATOM 2100 NH1 ARG A 532 11.456 4.820 -11.648 1.00 35.33 N ATOM 2101 NH2 ARG A 532 11.904 2.557 -11.876 1.00 30.33 N ATOM 0 H ARG A 532 13.830 4.789 -5.064 1.00 54.32 H new ATOM 0 HA ARG A 532 12.652 6.867 -6.778 1.00 53.44 H new ATOM 0 HB2 ARG A 532 11.283 4.471 -5.497 1.00 14.23 H new ATOM 0 HB3 ARG A 532 10.661 5.489 -6.781 1.00 14.23 H new ATOM 0 HG2 ARG A 532 13.300 4.102 -7.243 1.00 74.24 H new ATOM 0 HG3 ARG A 532 11.845 3.126 -7.296 1.00 74.24 H new ATOM 0 HD2 ARG A 532 10.950 5.090 -8.877 1.00 71.22 H new ATOM 0 HD3 ARG A 532 12.657 5.416 -9.102 1.00 71.22 H new ATOM 0 HE ARG A 532 12.286 2.597 -9.426 1.00 4.22 H new ATOM 0 HH11 ARG A 532 11.375 5.643 -11.051 1.00 35.33 H new ATOM 0 HH12 ARG A 532 11.280 4.897 -12.650 1.00 35.33 H new ATOM 0 HH21 ARG A 532 12.162 1.660 -11.464 1.00 30.33 H new ATOM 0 HH22 ARG A 532 11.729 2.626 -12.879 1.00 30.33 H new ATOM 2111 N LEU A 533 11.921 6.213 -3.614 1.00 33.20 N ATOM 2112 CA LEU A 533 11.389 6.786 -2.391 1.00 71.14 C ATOM 2113 C LEU A 533 11.869 8.232 -2.259 1.00 43.24 C ATOM 2114 O LEU A 533 11.140 9.091 -1.763 1.00 34.34 O ATOM 2115 CB LEU A 533 11.745 5.908 -1.189 1.00 33.14 C ATOM 2116 CG LEU A 533 10.738 4.809 -0.840 1.00 62.34 C ATOM 2117 CD1 LEU A 533 9.317 5.371 -0.767 1.00 14.12 C ATOM 2118 CD2 LEU A 533 10.844 3.639 -1.818 1.00 33.02 C ATOM 0 H LEU A 533 12.267 5.258 -3.523 1.00 33.20 H new ATOM 0 HA LEU A 533 10.300 6.813 -2.426 1.00 71.14 H new ATOM 0 HB2 LEU A 533 12.711 5.441 -1.379 1.00 33.14 H new ATOM 0 HB3 LEU A 533 11.867 6.551 -0.318 1.00 33.14 H new ATOM 0 HG LEU A 533 10.981 4.423 0.150 1.00 62.34 H new ATOM 0 HD11 LEU A 533 8.621 4.570 -0.518 1.00 14.12 H new ATOM 0 HD12 LEU A 533 9.270 6.144 0.000 1.00 14.12 H new ATOM 0 HD13 LEU A 533 9.045 5.800 -1.731 1.00 14.12 H new ATOM 0 HD21 LEU A 533 10.118 2.872 -1.548 1.00 33.02 H new ATOM 0 HD22 LEU A 533 10.641 3.991 -2.829 1.00 33.02 H new ATOM 0 HD23 LEU A 533 11.849 3.219 -1.775 1.00 33.02 H new