USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=26 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 458 SER OG : rot -127:sc= 0.78 USER MOD Set 1.2: A 494 SER OG : rot 75:sc= -1.12 USER MOD Set 1.3: A 498 GLN : amide:sc= 0.616 K(o=0.28,f=-2.7) USER MOD Set 2.1: A 476 ASN : amide:sc= -7! C(o=-14!,f=-21!) USER MOD Set 2.2: A 480 GLN : amide:sc= -7.25! C(o=-14!,f=-14!) USER MOD Set 3.1: A 473 MET CE :methyl -147:sc= -13.4! (180deg=-14.9!) USER MOD Set 3.2: A 485 CYS SG : rot 180:sc= -2.57 USER MOD Set 4.1: A 471 GLN : amide:sc= -0.233 K(o=-3.7,f=-4.8) USER MOD Set 4.2: A 474 MET CE :methyl -167:sc= -3.42! (180deg=-3.72!) USER MOD Set 5.1: A 448 HIS : no HE2:sc= -9.97! C(o=-12!,f=-13!) USER MOD Set 5.2: A 449 SER OG : rot 180:sc= -1.74 USER MOD Set 6.1: A 443 GLN : amide:sc= -1.36 K(o=-0.83,f=1.5) USER MOD Set 6.2: A 475 SER OG : rot 100:sc= 0.539 USER MOD Set 7.1: A 401 HIS : no HE2:sc= -7.16! C(o=-7.2!,f=-12!) USER MOD Set 7.2: A 426 THR OG1 : rot 137:sc= 0 USER MOD Single : A 395 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -7.38! C(o=-7.4!,f=-9.2!) USER MOD Single : A 407 HIS : no HD1:sc= -2.04! X(o=-2!,f=-1.8) USER MOD Single : A 415 LYS NZ :NH3+ 178:sc= 0.0415 (180deg=-0.0338) USER MOD Single : A 457 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 459 ASN : amide:sc= -0.0155 X(o=-0.015,f=0) USER MOD Single : A 462 CYS SG : rot 180:sc= -0.0101 USER MOD Single : A 465 SER OG : rot -94:sc= 0.436 USER MOD Single : A 467 HIS : no HD1:sc=-0.00201 X(o=-0.002,f=-0.11) USER MOD Single : A 468 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 470 ASN : amide:sc= -7.62! C(o=-7.6!,f=-3.9!) USER MOD Single : A 478 THR OG1 : rot -30:sc= 0.468 USER MOD Single : A 482 SER OG : rot 49:sc= 1.07 USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 500 SER OG : rot 140:sc= -2.36! USER MOD Single : A 501 SER OG : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot -160:sc= 0 USER MOD Single : A 505 SER OG : rot 180:sc= 0 USER MOD Single : A 508 SER OG : rot 180:sc= 0 USER MOD Single : A 516 HIS : no HD1:sc= -4.9! C(o=-4.9!,f=-10!) USER MOD Single : A 517 SER OG : rot 140:sc= -0.579 USER MOD Single : A 518 GLN : amide:sc= -2.08 K(o=-2.1,f=-4.7!) USER MOD Single : A 523 LYS NZ :NH3+ -137:sc= -0.0021 (180deg=-0.587) USER MOD Single : A 526 ASN : amide:sc= -3.32! C(o=-3.3!,f=-4.6!) USER MOD Single : A 527 THR OG1 : rot -59:sc= 0.0598 USER MOD Single : A 529 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 531 HIS : no HD1:sc= -6.71! C(o=-6.7!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 125 N TYR A 395 4.451 8.582 4.278 1.00 2.14 N ATOM 126 CA TYR A 395 3.827 7.407 3.693 1.00 73.43 C ATOM 127 C TYR A 395 4.344 7.163 2.273 1.00 23.32 C ATOM 128 O TYR A 395 4.405 8.086 1.463 1.00 13.40 O ATOM 129 CB TYR A 395 2.329 7.710 3.632 1.00 72.24 C ATOM 130 CG TYR A 395 1.686 7.940 5.001 1.00 14.31 C ATOM 131 CD1 TYR A 395 2.424 7.749 6.152 1.00 51.45 C ATOM 132 CD2 TYR A 395 0.366 8.337 5.086 1.00 72.21 C ATOM 133 CE1 TYR A 395 1.817 7.964 7.441 1.00 53.12 C ATOM 134 CE2 TYR A 395 -0.239 8.553 6.374 1.00 34.52 C ATOM 135 CZ TYR A 395 0.516 8.357 7.487 1.00 4.22 C ATOM 136 OH TYR A 395 -0.056 8.560 8.704 1.00 3.41 O ATOM 0 HA TYR A 395 4.049 6.519 4.285 1.00 73.43 H new ATOM 0 HB2 TYR A 395 2.172 8.595 3.015 1.00 72.24 H new ATOM 0 HB3 TYR A 395 1.821 6.882 3.137 1.00 72.24 H new ATOM 0 HD1 TYR A 395 3.456 7.438 6.086 1.00 51.45 H new ATOM 0 HD2 TYR A 395 -0.212 8.485 4.186 1.00 72.21 H new ATOM 0 HE1 TYR A 395 2.382 7.816 8.349 1.00 53.12 H new ATOM 0 HE2 TYR A 395 -1.270 8.864 6.454 1.00 34.52 H new ATOM 0 HH TYR A 395 -0.988 8.839 8.585 1.00 3.41 H new ATOM 145 N ASN A 396 4.702 5.913 2.015 1.00 22.40 N ATOM 146 CA ASN A 396 5.210 5.534 0.708 1.00 75.24 C ATOM 147 C ASN A 396 4.245 4.542 0.057 1.00 33.53 C ATOM 148 O ASN A 396 4.461 4.114 -1.076 1.00 2.32 O ATOM 149 CB ASN A 396 6.579 4.858 0.823 1.00 50.40 C ATOM 150 CG ASN A 396 7.698 5.896 0.911 1.00 73.51 C ATOM 151 OD1 ASN A 396 8.277 6.307 -0.081 1.00 31.12 O ATOM 152 ND2 ASN A 396 7.970 6.294 2.149 1.00 24.41 N ATOM 0 H ASN A 396 4.650 5.150 2.690 1.00 22.40 H new ATOM 0 HA ASN A 396 5.305 6.439 0.108 1.00 75.24 H new ATOM 0 HB2 ASN A 396 6.600 4.220 1.706 1.00 50.40 H new ATOM 0 HB3 ASN A 396 6.744 4.213 -0.040 1.00 50.40 H new ATOM 0 HD21 ASN A 396 8.702 6.985 2.313 1.00 24.41 H new ATOM 0 HD22 ASN A 396 7.446 5.909 2.935 1.00 24.41 H new ATOM 158 N PHE A 397 3.202 4.207 0.800 1.00 40.23 N ATOM 159 CA PHE A 397 2.202 3.275 0.309 1.00 5.45 C ATOM 160 C PHE A 397 1.077 3.089 1.329 1.00 42.43 C ATOM 161 O PHE A 397 1.245 3.397 2.508 1.00 21.24 O ATOM 162 CB PHE A 397 2.908 1.932 0.099 1.00 51.24 C ATOM 163 CG PHE A 397 3.547 1.360 1.367 1.00 74.00 C ATOM 164 CD1 PHE A 397 4.733 1.855 1.811 1.00 51.01 C ATOM 165 CD2 PHE A 397 2.929 0.358 2.047 1.00 70.35 C ATOM 166 CE1 PHE A 397 5.327 1.323 2.987 1.00 44.33 C ATOM 167 CE2 PHE A 397 3.523 -0.172 3.223 1.00 34.13 C ATOM 168 CZ PHE A 397 4.709 0.321 3.667 1.00 31.12 C ATOM 0 H PHE A 397 3.027 4.564 1.739 1.00 40.23 H new ATOM 0 HA PHE A 397 1.762 3.654 -0.613 1.00 5.45 H new ATOM 0 HB2 PHE A 397 2.188 1.212 -0.290 1.00 51.24 H new ATOM 0 HB3 PHE A 397 3.680 2.054 -0.661 1.00 51.24 H new ATOM 0 HD1 PHE A 397 5.223 2.651 1.271 1.00 51.01 H new ATOM 0 HD2 PHE A 397 1.987 -0.035 1.693 1.00 70.35 H new ATOM 0 HE1 PHE A 397 6.269 1.715 3.341 1.00 44.33 H new ATOM 0 HE2 PHE A 397 3.032 -0.967 3.765 1.00 34.13 H new ATOM 0 HZ PHE A 397 5.161 -0.083 4.561 1.00 31.12 H new ATOM 177 N VAL A 398 -0.048 2.590 0.838 1.00 3.31 N ATOM 178 CA VAL A 398 -1.201 2.361 1.691 1.00 1.52 C ATOM 179 C VAL A 398 -1.609 0.889 1.608 1.00 60.41 C ATOM 180 O VAL A 398 -2.185 0.457 0.612 1.00 13.14 O ATOM 181 CB VAL A 398 -2.334 3.317 1.310 1.00 53.02 C ATOM 182 CG1 VAL A 398 -3.698 2.705 1.626 1.00 10.44 C ATOM 183 CG2 VAL A 398 -2.165 4.671 2.003 1.00 60.13 C ATOM 0 H VAL A 398 -0.185 2.338 -0.141 1.00 3.31 H new ATOM 0 HA VAL A 398 -0.952 2.571 2.731 1.00 1.52 H new ATOM 0 HB VAL A 398 -2.284 3.483 0.234 1.00 53.02 H new ATOM 0 HG11 VAL A 398 -4.485 3.405 1.345 1.00 10.44 H new ATOM 0 HG12 VAL A 398 -3.820 1.778 1.065 1.00 10.44 H new ATOM 0 HG13 VAL A 398 -3.764 2.494 2.693 1.00 10.44 H new ATOM 0 HG21 VAL A 398 -2.983 5.332 1.715 1.00 60.13 H new ATOM 0 HG22 VAL A 398 -2.175 4.530 3.084 1.00 60.13 H new ATOM 0 HG23 VAL A 398 -1.216 5.117 1.704 1.00 60.13 H new ATOM 193 N ILE A 399 -1.292 0.159 2.668 1.00 42.22 N ATOM 194 CA ILE A 399 -1.618 -1.256 2.727 1.00 71.14 C ATOM 195 C ILE A 399 -3.128 -1.420 2.909 1.00 52.34 C ATOM 196 O ILE A 399 -3.621 -1.448 4.037 1.00 10.25 O ATOM 197 CB ILE A 399 -0.789 -1.952 3.806 1.00 12.13 C ATOM 198 CG1 ILE A 399 0.702 -1.907 3.467 1.00 74.31 C ATOM 199 CG2 ILE A 399 -1.281 -3.383 4.038 1.00 0.50 C ATOM 200 CD1 ILE A 399 1.524 -2.681 4.499 1.00 50.31 C ATOM 0 H ILE A 399 -0.813 0.521 3.493 1.00 42.22 H new ATOM 0 HA ILE A 399 -1.355 -1.747 1.790 1.00 71.14 H new ATOM 0 HB ILE A 399 -0.923 -1.409 4.742 1.00 12.13 H new ATOM 0 HG12 ILE A 399 0.866 -2.330 2.476 1.00 74.31 H new ATOM 0 HG13 ILE A 399 1.039 -0.871 3.432 1.00 74.31 H new ATOM 0 HG21 ILE A 399 -0.674 -3.856 4.810 1.00 0.50 H new ATOM 0 HG22 ILE A 399 -2.323 -3.362 4.357 1.00 0.50 H new ATOM 0 HG23 ILE A 399 -1.197 -3.951 3.112 1.00 0.50 H new ATOM 0 HD11 ILE A 399 2.580 -2.633 4.233 1.00 50.31 H new ATOM 0 HD12 ILE A 399 1.377 -2.241 5.485 1.00 50.31 H new ATOM 0 HD13 ILE A 399 1.201 -3.722 4.515 1.00 50.31 H new ATOM 211 N LEU A 400 -3.821 -1.522 1.785 1.00 42.34 N ATOM 212 CA LEU A 400 -5.266 -1.682 1.808 1.00 73.53 C ATOM 213 C LEU A 400 -5.612 -3.073 2.343 1.00 42.14 C ATOM 214 O LEU A 400 -5.488 -4.066 1.628 1.00 44.34 O ATOM 215 CB LEU A 400 -5.860 -1.389 0.428 1.00 22.34 C ATOM 216 CG LEU A 400 -7.176 -0.611 0.416 1.00 12.30 C ATOM 217 CD1 LEU A 400 -8.089 -1.060 1.559 1.00 12.43 C ATOM 218 CD2 LEU A 400 -6.923 0.898 0.443 1.00 24.31 C ATOM 0 H LEU A 400 -3.409 -1.497 0.852 1.00 42.34 H new ATOM 0 HA LEU A 400 -5.719 -0.957 2.485 1.00 73.53 H new ATOM 0 HB2 LEU A 400 -5.125 -0.830 -0.151 1.00 22.34 H new ATOM 0 HB3 LEU A 400 -6.017 -2.337 -0.087 1.00 22.34 H new ATOM 0 HG LEU A 400 -7.695 -0.833 -0.517 1.00 12.30 H new ATOM 0 HD11 LEU A 400 -9.018 -0.491 1.528 1.00 12.43 H new ATOM 0 HD12 LEU A 400 -8.310 -2.122 1.452 1.00 12.43 H new ATOM 0 HD13 LEU A 400 -7.590 -0.887 2.513 1.00 12.43 H new ATOM 0 HD21 LEU A 400 -7.876 1.427 0.434 1.00 24.31 H new ATOM 0 HD22 LEU A 400 -6.372 1.158 1.347 1.00 24.31 H new ATOM 0 HD23 LEU A 400 -6.340 1.185 -0.432 1.00 24.31 H new ATOM 229 N HIS A 401 -6.039 -3.099 3.597 1.00 15.32 N ATOM 230 CA HIS A 401 -6.405 -4.352 4.237 1.00 54.14 C ATOM 231 C HIS A 401 -7.684 -4.156 5.052 1.00 4.21 C ATOM 232 O HIS A 401 -8.350 -3.130 4.935 1.00 73.01 O ATOM 233 CB HIS A 401 -5.244 -4.893 5.074 1.00 44.43 C ATOM 234 CG HIS A 401 -4.997 -4.122 6.350 1.00 71.12 C ATOM 235 ND1 HIS A 401 -5.655 -4.401 7.534 1.00 5.01 N ATOM 236 CD2 HIS A 401 -4.155 -3.082 6.613 1.00 13.14 C ATOM 237 CE1 HIS A 401 -5.224 -3.560 8.462 1.00 33.11 C ATOM 238 NE2 HIS A 401 -4.294 -2.743 7.889 1.00 72.01 N ATOM 0 H HIS A 401 -6.140 -2.273 4.187 1.00 15.32 H new ATOM 0 HA HIS A 401 -6.612 -5.107 3.478 1.00 54.14 H new ATOM 0 HB2 HIS A 401 -5.444 -5.935 5.324 1.00 44.43 H new ATOM 0 HB3 HIS A 401 -4.336 -4.878 4.471 1.00 44.43 H new ATOM 0 HD1 HIS A 401 -6.354 -5.131 7.670 1.00 5.01 H new ATOM 0 HD2 HIS A 401 -3.488 -2.614 5.904 1.00 13.14 H new ATOM 0 HE1 HIS A 401 -5.551 -3.527 9.491 1.00 33.11 H new ATOM 246 N ALA A 402 -7.991 -5.160 5.862 1.00 32.13 N ATOM 247 CA ALA A 402 -9.178 -5.113 6.697 1.00 1.50 C ATOM 248 C ALA A 402 -8.792 -4.637 8.099 1.00 4.14 C ATOM 249 O ALA A 402 -7.735 -5.002 8.613 1.00 51.43 O ATOM 250 CB ALA A 402 -9.848 -6.488 6.713 1.00 32.50 C ATOM 0 H ALA A 402 -7.437 -6.011 5.957 1.00 32.13 H new ATOM 0 HA ALA A 402 -9.901 -4.403 6.295 1.00 1.50 H new ATOM 0 HB1 ALA A 402 -10.739 -6.451 7.340 1.00 32.50 H new ATOM 0 HB2 ALA A 402 -10.130 -6.767 5.698 1.00 32.50 H new ATOM 0 HB3 ALA A 402 -9.153 -7.227 7.113 1.00 32.50 H new ATOM 256 N ARG A 403 -9.668 -3.830 8.678 1.00 13.33 N ATOM 257 CA ARG A 403 -9.433 -3.299 10.010 1.00 21.41 C ATOM 258 C ARG A 403 -9.173 -4.440 10.997 1.00 34.42 C ATOM 259 O ARG A 403 -8.671 -4.212 12.096 1.00 22.23 O ATOM 260 CB ARG A 403 -10.628 -2.478 10.496 1.00 54.34 C ATOM 261 CG ARG A 403 -10.258 -1.644 11.723 1.00 43.04 C ATOM 262 CD ARG A 403 -11.285 -1.826 12.842 1.00 33.32 C ATOM 263 NE ARG A 403 -10.823 -1.143 14.071 1.00 33.33 N ATOM 264 CZ ARG A 403 -11.645 -0.699 15.045 1.00 24.24 C ATOM 265 NH1 ARG A 403 -12.981 -0.865 14.942 1.00 23.05 N ATOM 266 NH2 ARG A 403 -11.123 -0.103 16.101 1.00 21.10 N ATOM 0 H ARG A 403 -10.543 -3.530 8.248 1.00 13.33 H new ATOM 0 HA ARG A 403 -8.559 -2.650 9.958 1.00 21.41 H new ATOM 0 HB2 ARG A 403 -10.972 -1.822 9.696 1.00 54.34 H new ATOM 0 HB3 ARG A 403 -11.456 -3.144 10.741 1.00 54.34 H new ATOM 0 HG2 ARG A 403 -9.270 -1.936 12.080 1.00 43.04 H new ATOM 0 HG3 ARG A 403 -10.199 -0.591 11.447 1.00 43.04 H new ATOM 0 HD2 ARG A 403 -12.248 -1.421 12.532 1.00 33.32 H new ATOM 0 HD3 ARG A 403 -11.434 -2.887 13.040 1.00 33.32 H new ATOM 0 HE ARG A 403 -9.820 -0.999 14.189 1.00 33.33 H new ATOM 0 HH11 ARG A 403 -13.376 -1.329 14.124 1.00 23.05 H new ATOM 0 HH12 ARG A 403 -13.596 -0.527 15.682 1.00 23.05 H new ATOM 0 HH21 ARG A 403 -10.112 0.016 16.172 1.00 21.10 H new ATOM 0 HH22 ARG A 403 -11.730 0.238 16.846 1.00 21.10 H new ATOM 276 N ALA A 404 -9.525 -5.643 10.567 1.00 22.42 N ATOM 277 CA ALA A 404 -9.336 -6.820 11.399 1.00 53.34 C ATOM 278 C ALA A 404 -8.001 -7.479 11.046 1.00 31.41 C ATOM 279 O ALA A 404 -7.771 -8.640 11.378 1.00 23.41 O ATOM 280 CB ALA A 404 -10.521 -7.770 11.216 1.00 2.00 C ATOM 0 H ALA A 404 -9.940 -5.828 9.654 1.00 22.42 H new ATOM 0 HA ALA A 404 -9.299 -6.544 12.453 1.00 53.34 H new ATOM 0 HB1 ALA A 404 -10.379 -8.653 11.840 1.00 2.00 H new ATOM 0 HB2 ALA A 404 -11.441 -7.264 11.507 1.00 2.00 H new ATOM 0 HB3 ALA A 404 -10.588 -8.071 10.171 1.00 2.00 H new ATOM 286 N ASP A 405 -7.155 -6.708 10.378 1.00 35.13 N ATOM 287 CA ASP A 405 -5.849 -7.202 9.976 1.00 52.14 C ATOM 288 C ASP A 405 -4.805 -6.103 10.187 1.00 4.54 C ATOM 289 O ASP A 405 -3.872 -5.968 9.398 1.00 10.04 O ATOM 290 CB ASP A 405 -5.837 -7.589 8.496 1.00 64.15 C ATOM 291 CG ASP A 405 -7.208 -7.922 7.903 1.00 45.43 C ATOM 292 OD1 ASP A 405 -7.497 -7.596 6.743 1.00 12.44 O ATOM 293 OD2 ASP A 405 -8.005 -8.550 8.698 1.00 14.55 O ATOM 0 H ASP A 405 -7.349 -5.744 10.105 1.00 35.13 H new ATOM 0 HA ASP A 405 -5.621 -8.081 10.579 1.00 52.14 H new ATOM 0 HB2 ASP A 405 -5.400 -6.769 7.925 1.00 64.15 H new ATOM 0 HB3 ASP A 405 -5.183 -8.451 8.367 1.00 64.15 H new ATOM 298 N GLU A 406 -5.000 -5.345 11.257 1.00 21.41 N ATOM 299 CA GLU A 406 -4.087 -4.261 11.580 1.00 41.42 C ATOM 300 C GLU A 406 -2.702 -4.817 11.917 1.00 73.00 C ATOM 301 O GLU A 406 -1.763 -4.670 11.134 1.00 64.00 O ATOM 302 CB GLU A 406 -4.631 -3.412 12.731 1.00 40.20 C ATOM 303 CG GLU A 406 -3.520 -2.573 13.366 1.00 22.11 C ATOM 304 CD GLU A 406 -4.052 -1.772 14.556 1.00 44.22 C ATOM 305 OE1 GLU A 406 -3.963 -2.233 15.704 1.00 54.13 O ATOM 306 OE2 GLU A 406 -4.570 -0.629 14.257 1.00 15.13 O ATOM 0 H GLU A 406 -5.775 -5.460 11.910 1.00 21.41 H new ATOM 0 HA GLU A 406 -3.996 -3.616 10.706 1.00 41.42 H new ATOM 0 HB2 GLU A 406 -5.421 -2.757 12.363 1.00 40.20 H new ATOM 0 HB3 GLU A 406 -5.079 -4.059 13.485 1.00 40.20 H new ATOM 0 HG2 GLU A 406 -2.710 -3.224 13.694 1.00 22.11 H new ATOM 0 HG3 GLU A 406 -3.102 -1.894 12.623 1.00 22.11 H new ATOM 312 N HIS A 407 -2.617 -5.444 13.081 1.00 63.12 N ATOM 313 CA HIS A 407 -1.362 -6.022 13.530 1.00 72.35 C ATOM 314 C HIS A 407 -0.610 -6.610 12.334 1.00 43.12 C ATOM 315 O HIS A 407 0.610 -6.488 12.243 1.00 52.13 O ATOM 316 CB HIS A 407 -1.602 -7.046 14.642 1.00 15.43 C ATOM 317 CG HIS A 407 -2.261 -8.321 14.169 1.00 62.22 C ATOM 318 ND1 HIS A 407 -3.545 -8.354 13.654 1.00 11.33 N ATOM 319 CD2 HIS A 407 -1.800 -9.603 14.138 1.00 63.11 C ATOM 320 CE1 HIS A 407 -3.835 -9.606 13.332 1.00 21.54 C ATOM 321 NE2 HIS A 407 -2.751 -10.379 13.633 1.00 22.01 N ATOM 0 H HIS A 407 -3.397 -5.564 13.727 1.00 63.12 H new ATOM 0 HA HIS A 407 -0.733 -5.244 13.962 1.00 72.35 H new ATOM 0 HB2 HIS A 407 -0.648 -7.293 15.107 1.00 15.43 H new ATOM 0 HB3 HIS A 407 -2.224 -6.591 15.413 1.00 15.43 H new ATOM 0 HD2 HIS A 407 -0.826 -9.932 14.468 1.00 63.11 H new ATOM 0 HE1 HIS A 407 -4.765 -9.954 12.907 1.00 21.54 H new ATOM 0 HE2 HIS A 407 -2.683 -11.387 13.493 1.00 22.01 H new ATOM 328 N ILE A 408 -1.371 -7.233 11.447 1.00 1.25 N ATOM 329 CA ILE A 408 -0.793 -7.841 10.260 1.00 21.33 C ATOM 330 C ILE A 408 -0.050 -6.772 9.457 1.00 32.43 C ATOM 331 O ILE A 408 1.158 -6.876 9.247 1.00 10.22 O ATOM 332 CB ILE A 408 -1.867 -8.579 9.458 1.00 53.20 C ATOM 333 CG1 ILE A 408 -2.348 -9.826 10.202 1.00 24.20 C ATOM 334 CG2 ILE A 408 -1.369 -8.907 8.049 1.00 41.40 C ATOM 335 CD1 ILE A 408 -3.477 -10.519 9.436 1.00 5.31 C ATOM 0 H ILE A 408 -2.383 -7.330 11.526 1.00 1.25 H new ATOM 0 HA ILE A 408 -0.060 -8.599 10.537 1.00 21.33 H new ATOM 0 HB ILE A 408 -2.727 -7.919 9.350 1.00 53.20 H new ATOM 0 HG12 ILE A 408 -1.516 -10.518 10.336 1.00 24.20 H new ATOM 0 HG13 ILE A 408 -2.695 -9.549 11.197 1.00 24.20 H new ATOM 0 HG21 ILE A 408 -2.151 -9.431 7.500 1.00 41.40 H new ATOM 0 HG22 ILE A 408 -1.117 -7.983 7.528 1.00 41.40 H new ATOM 0 HG23 ILE A 408 -0.484 -9.540 8.114 1.00 41.40 H new ATOM 0 HD11 ILE A 408 -3.801 -11.403 9.986 1.00 5.31 H new ATOM 0 HD12 ILE A 408 -4.316 -9.832 9.325 1.00 5.31 H new ATOM 0 HD13 ILE A 408 -3.119 -10.816 8.450 1.00 5.31 H new ATOM 346 N ALA A 409 -0.801 -5.769 9.029 1.00 11.45 N ATOM 347 CA ALA A 409 -0.230 -4.683 8.253 1.00 31.11 C ATOM 348 C ALA A 409 0.952 -4.081 9.018 1.00 45.52 C ATOM 349 O ALA A 409 2.031 -3.903 8.460 1.00 73.14 O ATOM 350 CB ALA A 409 -1.314 -3.647 7.946 1.00 64.30 C ATOM 0 H ALA A 409 -1.802 -5.686 9.205 1.00 11.45 H new ATOM 0 HA ALA A 409 0.147 -5.051 7.299 1.00 31.11 H new ATOM 0 HB1 ALA A 409 -0.884 -2.832 7.363 1.00 64.30 H new ATOM 0 HB2 ALA A 409 -2.116 -4.117 7.376 1.00 64.30 H new ATOM 0 HB3 ALA A 409 -1.716 -3.253 8.880 1.00 64.30 H new ATOM 356 N LEU A 410 0.704 -3.786 10.286 1.00 25.43 N ATOM 357 CA LEU A 410 1.733 -3.209 11.135 1.00 40.03 C ATOM 358 C LEU A 410 2.912 -4.180 11.231 1.00 55.24 C ATOM 359 O LEU A 410 3.999 -3.799 11.660 1.00 63.45 O ATOM 360 CB LEU A 410 1.148 -2.815 12.493 1.00 60.31 C ATOM 361 CG LEU A 410 0.342 -1.515 12.524 1.00 12.12 C ATOM 362 CD1 LEU A 410 -0.913 -1.628 11.656 1.00 73.43 C ATOM 363 CD2 LEU A 410 0.008 -1.111 13.962 1.00 44.21 C ATOM 0 H LEU A 410 -0.194 -3.936 10.746 1.00 25.43 H new ATOM 0 HA LEU A 410 2.114 -2.286 10.698 1.00 40.03 H new ATOM 0 HB2 LEU A 410 0.506 -3.625 12.839 1.00 60.31 H new ATOM 0 HB3 LEU A 410 1.966 -2.729 13.208 1.00 60.31 H new ATOM 0 HG LEU A 410 0.958 -0.721 12.101 1.00 12.12 H new ATOM 0 HD11 LEU A 410 -1.468 -0.691 11.695 1.00 73.43 H new ATOM 0 HD12 LEU A 410 -0.625 -1.836 10.626 1.00 73.43 H new ATOM 0 HD13 LEU A 410 -1.541 -2.438 12.028 1.00 73.43 H new ATOM 0 HD21 LEU A 410 -0.565 -0.184 13.956 1.00 44.21 H new ATOM 0 HD22 LEU A 410 -0.580 -1.898 14.434 1.00 44.21 H new ATOM 0 HD23 LEU A 410 0.931 -0.963 14.522 1.00 44.21 H new ATOM 374 N ARG A 411 2.656 -5.414 10.825 1.00 34.32 N ATOM 375 CA ARG A 411 3.683 -6.442 10.859 1.00 42.02 C ATOM 376 C ARG A 411 4.605 -6.313 9.645 1.00 11.53 C ATOM 377 O ARG A 411 5.736 -6.793 9.667 1.00 34.11 O ATOM 378 CB ARG A 411 3.062 -7.840 10.874 1.00 64.24 C ATOM 379 CG ARG A 411 4.005 -8.852 11.527 1.00 40.25 C ATOM 380 CD ARG A 411 3.222 -10.008 12.153 1.00 42.24 C ATOM 381 NE ARG A 411 2.952 -11.046 11.135 1.00 31.32 N ATOM 382 CZ ARG A 411 2.436 -12.262 11.411 1.00 31.22 C ATOM 383 NH1 ARG A 411 2.127 -12.601 12.681 1.00 4.12 N ATOM 384 NH2 ARG A 411 2.235 -13.114 10.423 1.00 73.52 N ATOM 0 H ARG A 411 1.752 -5.726 10.470 1.00 34.32 H new ATOM 0 HA ARG A 411 4.260 -6.304 11.773 1.00 42.02 H new ATOM 0 HB2 ARG A 411 2.117 -7.816 11.416 1.00 64.24 H new ATOM 0 HB3 ARG A 411 2.837 -8.153 9.854 1.00 64.24 H new ATOM 0 HG2 ARG A 411 4.700 -9.240 10.782 1.00 40.25 H new ATOM 0 HG3 ARG A 411 4.602 -8.356 12.292 1.00 40.25 H new ATOM 0 HD2 ARG A 411 3.789 -10.436 12.980 1.00 42.24 H new ATOM 0 HD3 ARG A 411 2.283 -9.640 12.567 1.00 42.24 H new ATOM 0 HE ARG A 411 3.170 -10.829 10.162 1.00 31.32 H new ATOM 0 HH11 ARG A 411 2.283 -11.936 13.439 1.00 4.12 H new ATOM 0 HH12 ARG A 411 1.737 -13.522 12.883 1.00 4.12 H new ATOM 0 HH21 ARG A 411 2.469 -12.850 9.466 1.00 73.52 H new ATOM 0 HH22 ARG A 411 1.846 -14.037 10.617 1.00 73.52 H new ATOM 394 N VAL A 412 4.085 -5.661 8.614 1.00 51.42 N ATOM 395 CA VAL A 412 4.846 -5.464 7.394 1.00 72.34 C ATOM 396 C VAL A 412 5.496 -4.078 7.421 1.00 62.13 C ATOM 397 O VAL A 412 6.701 -3.950 7.211 1.00 24.43 O ATOM 398 CB VAL A 412 3.947 -5.677 6.175 1.00 74.11 C ATOM 399 CG1 VAL A 412 4.502 -4.948 4.949 1.00 72.21 C ATOM 400 CG2 VAL A 412 3.757 -7.168 5.887 1.00 0.41 C ATOM 0 H VAL A 412 3.146 -5.263 8.600 1.00 51.42 H new ATOM 0 HA VAL A 412 5.648 -6.199 7.323 1.00 72.34 H new ATOM 0 HB VAL A 412 2.969 -5.252 6.403 1.00 74.11 H new ATOM 0 HG11 VAL A 412 3.844 -5.116 4.097 1.00 72.21 H new ATOM 0 HG12 VAL A 412 4.561 -3.880 5.157 1.00 72.21 H new ATOM 0 HG13 VAL A 412 5.497 -5.328 4.719 1.00 72.21 H new ATOM 0 HG21 VAL A 412 3.114 -7.291 5.016 1.00 0.41 H new ATOM 0 HG22 VAL A 412 4.726 -7.627 5.691 1.00 0.41 H new ATOM 0 HG23 VAL A 412 3.296 -7.649 6.749 1.00 0.41 H new ATOM 410 N ARG A 413 4.669 -3.077 7.683 1.00 21.41 N ATOM 411 CA ARG A 413 5.147 -1.707 7.742 1.00 63.14 C ATOM 412 C ARG A 413 6.597 -1.671 8.233 1.00 42.31 C ATOM 413 O ARG A 413 7.479 -1.168 7.539 1.00 54.51 O ATOM 414 CB ARG A 413 4.280 -0.859 8.675 1.00 11.25 C ATOM 415 CG ARG A 413 2.807 -0.932 8.269 1.00 70.22 C ATOM 416 CD ARG A 413 2.073 0.360 8.634 1.00 12.40 C ATOM 417 NE ARG A 413 2.574 0.879 9.926 1.00 73.43 N ATOM 418 CZ ARG A 413 1.848 1.645 10.768 1.00 50.11 C ATOM 419 NH1 ARG A 413 0.579 1.986 10.460 1.00 74.05 N ATOM 420 NH2 ARG A 413 2.398 2.054 11.896 1.00 15.21 N ATOM 0 H ARG A 413 3.670 -3.188 7.857 1.00 21.41 H new ATOM 0 HA ARG A 413 5.089 -1.293 6.735 1.00 63.14 H new ATOM 0 HB2 ARG A 413 4.396 -1.207 9.702 1.00 11.25 H new ATOM 0 HB3 ARG A 413 4.617 0.177 8.649 1.00 11.25 H new ATOM 0 HG2 ARG A 413 2.730 -1.107 7.196 1.00 70.22 H new ATOM 0 HG3 ARG A 413 2.331 -1.778 8.765 1.00 70.22 H new ATOM 0 HD2 ARG A 413 2.220 1.105 7.852 1.00 12.40 H new ATOM 0 HD3 ARG A 413 1.001 0.173 8.699 1.00 12.40 H new ATOM 0 HE ARG A 413 3.528 0.643 10.198 1.00 73.43 H new ATOM 0 HH11 ARG A 413 0.162 1.665 9.586 1.00 74.05 H new ATOM 0 HH12 ARG A 413 0.037 2.565 11.101 1.00 74.05 H new ATOM 0 HH21 ARG A 413 3.358 1.791 12.120 1.00 15.21 H new ATOM 0 HH22 ARG A 413 1.863 2.633 12.543 1.00 15.21 H new ATOM 430 N GLU A 414 6.798 -2.211 9.426 1.00 33.00 N ATOM 431 CA GLU A 414 8.124 -2.248 10.018 1.00 40.34 C ATOM 432 C GLU A 414 9.042 -3.162 9.205 1.00 22.12 C ATOM 433 O GLU A 414 10.131 -2.754 8.801 1.00 13.05 O ATOM 434 CB GLU A 414 8.060 -2.694 11.479 1.00 63.32 C ATOM 435 CG GLU A 414 7.504 -1.580 12.370 1.00 22.24 C ATOM 436 CD GLU A 414 8.022 -1.714 13.803 1.00 55.24 C ATOM 437 OE1 GLU A 414 7.223 -1.854 14.740 1.00 41.33 O ATOM 438 OE2 GLU A 414 9.306 -1.668 13.925 1.00 53.12 O ATOM 0 H GLU A 414 6.064 -2.627 9.999 1.00 33.00 H new ATOM 0 HA GLU A 414 8.538 -1.240 9.999 1.00 40.34 H new ATOM 0 HB2 GLU A 414 7.432 -3.581 11.565 1.00 63.32 H new ATOM 0 HB3 GLU A 414 9.056 -2.975 11.821 1.00 63.32 H new ATOM 0 HG2 GLU A 414 7.790 -0.609 11.965 1.00 22.24 H new ATOM 0 HG3 GLU A 414 6.415 -1.618 12.368 1.00 22.24 H new ATOM 444 N LYS A 415 8.571 -4.382 8.991 1.00 35.01 N ATOM 445 CA LYS A 415 9.336 -5.357 8.233 1.00 72.35 C ATOM 446 C LYS A 415 9.984 -4.669 7.029 1.00 51.50 C ATOM 447 O LYS A 415 11.086 -5.031 6.621 1.00 74.05 O ATOM 448 CB LYS A 415 8.460 -6.554 7.859 1.00 40.25 C ATOM 449 CG LYS A 415 9.210 -7.871 8.073 1.00 43.13 C ATOM 450 CD LYS A 415 10.565 -7.852 7.365 1.00 70.50 C ATOM 451 CE LYS A 415 10.390 -7.858 5.846 1.00 33.02 C ATOM 452 NZ LYS A 415 10.485 -9.238 5.319 1.00 62.23 N ATOM 0 H LYS A 415 7.669 -4.717 9.329 1.00 35.01 H new ATOM 0 HA LYS A 415 10.144 -5.761 8.842 1.00 72.35 H new ATOM 0 HB2 LYS A 415 7.552 -6.547 8.461 1.00 40.25 H new ATOM 0 HB3 LYS A 415 8.152 -6.472 6.817 1.00 40.25 H new ATOM 0 HG2 LYS A 415 9.356 -8.041 9.140 1.00 43.13 H new ATOM 0 HG3 LYS A 415 8.611 -8.700 7.697 1.00 43.13 H new ATOM 0 HD2 LYS A 415 11.124 -6.966 7.667 1.00 70.50 H new ATOM 0 HD3 LYS A 415 11.151 -8.719 7.671 1.00 70.50 H new ATOM 0 HE2 LYS A 415 9.423 -7.428 5.584 1.00 33.02 H new ATOM 0 HE3 LYS A 415 11.153 -7.232 5.384 1.00 33.02 H new ATOM 0 HZ1 LYS A 415 10.330 -9.228 4.291 1.00 62.23 H new ATOM 0 HZ2 LYS A 415 11.429 -9.623 5.524 1.00 62.23 H new ATOM 0 HZ3 LYS A 415 9.762 -9.833 5.772 1.00 62.23 H new ATOM 461 N LEU A 416 9.268 -3.690 6.493 1.00 62.31 N ATOM 462 CA LEU A 416 9.758 -2.948 5.344 1.00 5.22 C ATOM 463 C LEU A 416 10.942 -2.080 5.770 1.00 70.11 C ATOM 464 O LEU A 416 11.999 -2.111 5.142 1.00 20.24 O ATOM 465 CB LEU A 416 8.620 -2.160 4.691 1.00 71.13 C ATOM 466 CG LEU A 416 7.410 -2.979 4.240 1.00 70.20 C ATOM 467 CD1 LEU A 416 6.268 -2.065 3.786 1.00 24.03 C ATOM 468 CD2 LEU A 416 7.801 -3.987 3.158 1.00 62.42 C ATOM 0 H LEU A 416 8.353 -3.394 6.833 1.00 62.31 H new ATOM 0 HA LEU A 416 10.124 -3.631 4.577 1.00 5.22 H new ATOM 0 HB2 LEU A 416 8.278 -1.402 5.396 1.00 71.13 H new ATOM 0 HB3 LEU A 416 9.020 -1.633 3.825 1.00 71.13 H new ATOM 0 HG LEU A 416 7.047 -3.550 5.095 1.00 70.20 H new ATOM 0 HD11 LEU A 416 5.420 -2.672 3.470 1.00 24.03 H new ATOM 0 HD12 LEU A 416 5.966 -1.422 4.613 1.00 24.03 H new ATOM 0 HD13 LEU A 416 6.604 -1.450 2.951 1.00 24.03 H new ATOM 0 HD21 LEU A 416 6.922 -4.556 2.856 1.00 62.42 H new ATOM 0 HD22 LEU A 416 8.204 -3.457 2.295 1.00 62.42 H new ATOM 0 HD23 LEU A 416 8.556 -4.668 3.551 1.00 62.42 H new ATOM 479 N GLU A 417 10.728 -1.324 6.837 1.00 41.31 N ATOM 480 CA GLU A 417 11.765 -0.447 7.355 1.00 51.32 C ATOM 481 C GLU A 417 13.127 -1.141 7.290 1.00 60.15 C ATOM 482 O GLU A 417 14.158 -0.480 7.172 1.00 24.41 O ATOM 483 CB GLU A 417 11.443 -0.003 8.783 1.00 50.23 C ATOM 484 CG GLU A 417 10.237 0.938 8.808 1.00 12.04 C ATOM 485 CD GLU A 417 9.553 0.916 10.176 1.00 34.11 C ATOM 486 OE1 GLU A 417 8.459 1.478 10.330 1.00 42.12 O ATOM 487 OE2 GLU A 417 10.197 0.286 11.098 1.00 23.25 O ATOM 0 H GLU A 417 9.851 -1.301 7.357 1.00 41.31 H new ATOM 0 HA GLU A 417 11.804 0.446 6.732 1.00 51.32 H new ATOM 0 HB2 GLU A 417 11.239 -0.877 9.402 1.00 50.23 H new ATOM 0 HB3 GLU A 417 12.309 0.499 9.215 1.00 50.23 H new ATOM 0 HG2 GLU A 417 10.558 1.953 8.574 1.00 12.04 H new ATOM 0 HG3 GLU A 417 9.525 0.643 8.037 1.00 12.04 H new ATOM 493 N ALA A 418 13.086 -2.462 7.368 1.00 30.14 N ATOM 494 CA ALA A 418 14.305 -3.252 7.319 1.00 33.32 C ATOM 495 C ALA A 418 14.826 -3.290 5.880 1.00 30.32 C ATOM 496 O ALA A 418 15.997 -3.006 5.632 1.00 63.20 O ATOM 497 CB ALA A 418 14.030 -4.650 7.875 1.00 65.21 C ATOM 0 H ALA A 418 12.229 -3.006 7.465 1.00 30.14 H new ATOM 0 HA ALA A 418 15.080 -2.800 7.939 1.00 33.32 H new ATOM 0 HB1 ALA A 418 14.944 -5.242 7.838 1.00 65.21 H new ATOM 0 HB2 ALA A 418 13.690 -4.571 8.908 1.00 65.21 H new ATOM 0 HB3 ALA A 418 13.259 -5.135 7.276 1.00 65.21 H new ATOM 503 N LEU A 419 13.931 -3.641 4.969 1.00 4.14 N ATOM 504 CA LEU A 419 14.285 -3.720 3.563 1.00 64.40 C ATOM 505 C LEU A 419 14.737 -2.341 3.078 1.00 2.12 C ATOM 506 O LEU A 419 15.757 -2.221 2.401 1.00 15.32 O ATOM 507 CB LEU A 419 13.129 -4.309 2.751 1.00 53.43 C ATOM 508 CG LEU A 419 12.602 -5.665 3.223 1.00 14.31 C ATOM 509 CD1 LEU A 419 11.071 -5.702 3.182 1.00 24.20 C ATOM 510 CD2 LEU A 419 13.223 -6.807 2.415 1.00 73.34 C ATOM 0 H LEU A 419 12.960 -3.874 5.178 1.00 4.14 H new ATOM 0 HA LEU A 419 15.124 -4.401 3.419 1.00 64.40 H new ATOM 0 HB2 LEU A 419 12.304 -3.597 2.761 1.00 53.43 H new ATOM 0 HB3 LEU A 419 13.452 -4.408 1.715 1.00 53.43 H new ATOM 0 HG LEU A 419 12.902 -5.805 4.262 1.00 14.31 H new ATOM 0 HD11 LEU A 419 10.721 -6.677 3.522 1.00 24.20 H new ATOM 0 HD12 LEU A 419 10.671 -4.925 3.833 1.00 24.20 H new ATOM 0 HD13 LEU A 419 10.730 -5.530 2.161 1.00 24.20 H new ATOM 0 HD21 LEU A 419 12.831 -7.760 2.771 1.00 73.34 H new ATOM 0 HD22 LEU A 419 12.975 -6.684 1.361 1.00 73.34 H new ATOM 0 HD23 LEU A 419 14.306 -6.792 2.537 1.00 73.34 H new ATOM 521 N GLY A 420 13.956 -1.334 3.443 1.00 25.12 N ATOM 522 CA GLY A 420 14.264 0.030 3.054 1.00 24.21 C ATOM 523 C GLY A 420 13.082 0.960 3.336 1.00 73.44 C ATOM 524 O GLY A 420 13.175 1.848 4.182 1.00 52.02 O ATOM 0 H GLY A 420 13.110 -1.437 4.004 1.00 25.12 H new ATOM 0 HA2 GLY A 420 15.143 0.377 3.597 1.00 24.21 H new ATOM 0 HA3 GLY A 420 14.512 0.062 1.993 1.00 24.21 H new ATOM 528 N VAL A 421 11.999 0.724 2.611 1.00 51.32 N ATOM 529 CA VAL A 421 10.800 1.530 2.773 1.00 13.31 C ATOM 530 C VAL A 421 10.369 1.508 4.241 1.00 23.35 C ATOM 531 O VAL A 421 10.509 0.489 4.917 1.00 2.24 O ATOM 532 CB VAL A 421 9.707 1.038 1.822 1.00 12.41 C ATOM 533 CG1 VAL A 421 9.623 -0.490 1.825 1.00 72.53 C ATOM 534 CG2 VAL A 421 8.354 1.661 2.171 1.00 42.35 C ATOM 0 H VAL A 421 11.926 -0.013 1.910 1.00 51.32 H new ATOM 0 HA VAL A 421 11.000 2.568 2.509 1.00 13.31 H new ATOM 0 HB VAL A 421 9.973 1.357 0.814 1.00 12.41 H new ATOM 0 HG11 VAL A 421 8.838 -0.813 1.141 1.00 72.53 H new ATOM 0 HG12 VAL A 421 10.578 -0.908 1.505 1.00 72.53 H new ATOM 0 HG13 VAL A 421 9.393 -0.840 2.831 1.00 72.53 H new ATOM 0 HG21 VAL A 421 7.595 1.294 1.480 1.00 42.35 H new ATOM 0 HG22 VAL A 421 8.079 1.387 3.190 1.00 42.35 H new ATOM 0 HG23 VAL A 421 8.422 2.746 2.093 1.00 42.35 H new ATOM 544 N PRO A 422 9.841 2.672 4.704 1.00 33.44 N ATOM 545 CA PRO A 422 9.389 2.794 6.079 1.00 54.04 C ATOM 546 C PRO A 422 8.058 2.069 6.286 1.00 23.35 C ATOM 547 O PRO A 422 7.646 1.269 5.446 1.00 32.10 O ATOM 548 CB PRO A 422 9.295 4.291 6.329 1.00 41.01 C ATOM 549 CG PRO A 422 9.247 4.941 4.956 1.00 71.24 C ATOM 550 CD PRO A 422 9.661 3.898 3.931 1.00 41.43 C ATOM 0 HA PRO A 422 10.070 2.326 6.789 1.00 54.04 H new ATOM 0 HB2 PRO A 422 8.404 4.535 6.908 1.00 41.01 H new ATOM 0 HB3 PRO A 422 10.153 4.646 6.899 1.00 41.01 H new ATOM 0 HG2 PRO A 422 8.243 5.308 4.743 1.00 71.24 H new ATOM 0 HG3 PRO A 422 9.916 5.801 4.917 1.00 71.24 H new ATOM 0 HD2 PRO A 422 8.898 3.773 3.162 1.00 41.43 H new ATOM 0 HD3 PRO A 422 10.582 4.185 3.423 1.00 41.43 H new ATOM 555 N ASP A 423 7.424 2.373 7.409 1.00 12.34 N ATOM 556 CA ASP A 423 6.147 1.759 7.736 1.00 61.52 C ATOM 557 C ASP A 423 5.151 2.032 6.609 1.00 53.13 C ATOM 558 O ASP A 423 4.399 1.144 6.210 1.00 44.01 O ATOM 559 CB ASP A 423 5.572 2.342 9.028 1.00 33.12 C ATOM 560 CG ASP A 423 5.813 3.839 9.225 1.00 63.31 C ATOM 561 OD1 ASP A 423 6.839 4.252 9.787 1.00 41.44 O ATOM 562 OD2 ASP A 423 4.883 4.606 8.768 1.00 44.43 O ATOM 0 H ASP A 423 7.770 3.035 8.103 1.00 12.34 H new ATOM 0 HA ASP A 423 6.310 0.689 7.864 1.00 61.52 H new ATOM 0 HB2 ASP A 423 4.498 2.157 9.046 1.00 33.12 H new ATOM 0 HB3 ASP A 423 6.002 1.806 9.874 1.00 33.12 H new ATOM 567 N GLY A 424 5.176 3.266 6.125 1.00 5.23 N ATOM 568 CA GLY A 424 4.283 3.668 5.052 1.00 21.13 C ATOM 569 C GLY A 424 2.911 4.065 5.600 1.00 11.14 C ATOM 570 O GLY A 424 2.686 5.225 5.942 1.00 61.52 O ATOM 0 H GLY A 424 5.801 4.000 6.457 1.00 5.23 H new ATOM 0 HA2 GLY A 424 4.717 4.506 4.507 1.00 21.13 H new ATOM 0 HA3 GLY A 424 4.172 2.849 4.341 1.00 21.13 H new ATOM 574 N ALA A 425 2.027 3.079 5.667 1.00 32.50 N ATOM 575 CA ALA A 425 0.683 3.311 6.167 1.00 31.45 C ATOM 576 C ALA A 425 -0.230 2.171 5.712 1.00 24.02 C ATOM 577 O ALA A 425 0.213 1.254 5.022 1.00 2.12 O ATOM 578 CB ALA A 425 0.190 4.679 5.692 1.00 11.34 C ATOM 0 H ALA A 425 2.216 2.118 5.383 1.00 32.50 H new ATOM 0 HA ALA A 425 0.676 3.323 7.257 1.00 31.45 H new ATOM 0 HB1 ALA A 425 -0.818 4.853 6.067 1.00 11.34 H new ATOM 0 HB2 ALA A 425 0.856 5.456 6.067 1.00 11.34 H new ATOM 0 HB3 ALA A 425 0.181 4.704 4.602 1.00 11.34 H new ATOM 584 N THR A 426 -1.487 2.264 6.115 1.00 41.45 N ATOM 585 CA THR A 426 -2.467 1.253 5.759 1.00 75.44 C ATOM 586 C THR A 426 -3.870 1.860 5.719 1.00 1.44 C ATOM 587 O THR A 426 -4.110 2.919 6.298 1.00 72.40 O ATOM 588 CB THR A 426 -2.332 0.095 6.747 1.00 5.04 C ATOM 589 OG1 THR A 426 -3.076 0.522 7.886 1.00 41.12 O ATOM 590 CG2 THR A 426 -0.904 -0.063 7.275 1.00 12.01 C ATOM 0 H THR A 426 -1.851 3.026 6.687 1.00 41.45 H new ATOM 0 HA THR A 426 -2.288 0.865 4.756 1.00 75.44 H new ATOM 0 HB THR A 426 -2.645 -0.831 6.264 1.00 5.04 H new ATOM 0 HG1 THR A 426 -3.620 -0.222 8.219 1.00 41.12 H new ATOM 0 HG21 THR A 426 -0.865 -0.900 7.973 1.00 12.01 H new ATOM 0 HG22 THR A 426 -0.227 -0.253 6.442 1.00 12.01 H new ATOM 0 HG23 THR A 426 -0.602 0.851 7.787 1.00 12.01 H new ATOM 598 N PHE A 427 -4.763 1.161 5.032 1.00 64.53 N ATOM 599 CA PHE A 427 -6.137 1.618 4.911 1.00 32.14 C ATOM 600 C PHE A 427 -7.117 0.532 5.358 1.00 0.31 C ATOM 601 O PHE A 427 -6.896 -0.652 5.105 1.00 51.32 O ATOM 602 CB PHE A 427 -6.377 1.925 3.431 1.00 54.33 C ATOM 603 CG PHE A 427 -7.746 2.544 3.138 1.00 35.40 C ATOM 604 CD1 PHE A 427 -8.876 1.811 3.321 1.00 11.22 C ATOM 605 CD2 PHE A 427 -7.830 3.826 2.693 1.00 5.31 C ATOM 606 CE1 PHE A 427 -10.145 2.385 3.048 1.00 3.41 C ATOM 607 CE2 PHE A 427 -9.100 4.401 2.422 1.00 11.41 C ATOM 608 CZ PHE A 427 -10.232 3.668 2.605 1.00 2.12 C ATOM 0 H PHE A 427 -4.562 0.283 4.554 1.00 64.53 H new ATOM 0 HA PHE A 427 -6.294 2.494 5.540 1.00 32.14 H new ATOM 0 HB2 PHE A 427 -5.600 2.604 3.081 1.00 54.33 H new ATOM 0 HB3 PHE A 427 -6.276 1.003 2.858 1.00 54.33 H new ATOM 0 HD1 PHE A 427 -8.808 0.793 3.674 1.00 11.22 H new ATOM 0 HD2 PHE A 427 -6.931 4.407 2.546 1.00 5.31 H new ATOM 0 HE1 PHE A 427 -11.043 1.802 3.192 1.00 3.41 H new ATOM 0 HE2 PHE A 427 -9.167 5.420 2.071 1.00 11.41 H new ATOM 0 HZ PHE A 427 -11.198 4.104 2.399 1.00 2.12 H new ATOM 823 N GLN A 443 -8.331 7.733 -3.133 1.00 24.42 N ATOM 824 CA GLN A 443 -7.470 8.014 -4.269 1.00 22.21 C ATOM 825 C GLN A 443 -6.310 8.918 -3.845 1.00 30.14 C ATOM 826 O GLN A 443 -5.241 8.886 -4.452 1.00 52.33 O ATOM 827 CB GLN A 443 -8.265 8.645 -5.415 1.00 1.22 C ATOM 828 CG GLN A 443 -9.714 8.154 -5.413 1.00 5.21 C ATOM 829 CD GLN A 443 -10.317 8.215 -6.817 1.00 75.42 C ATOM 830 OE1 GLN A 443 -11.134 7.398 -7.207 1.00 61.11 O ATOM 831 NE2 GLN A 443 -9.869 9.229 -7.554 1.00 11.34 N ATOM 0 HA GLN A 443 -7.058 7.072 -4.630 1.00 22.21 H new ATOM 0 HB2 GLN A 443 -8.245 9.731 -5.321 1.00 1.22 H new ATOM 0 HB3 GLN A 443 -7.795 8.399 -6.367 1.00 1.22 H new ATOM 0 HG2 GLN A 443 -9.754 7.130 -5.041 1.00 5.21 H new ATOM 0 HG3 GLN A 443 -10.307 8.764 -4.732 1.00 5.21 H new ATOM 0 HE21 GLN A 443 -9.184 9.878 -7.166 1.00 11.34 H new ATOM 0 HE22 GLN A 443 -10.211 9.357 -8.506 1.00 11.34 H new ATOM 838 N ASP A 444 -6.560 9.700 -2.806 1.00 34.21 N ATOM 839 CA ASP A 444 -5.550 10.611 -2.295 1.00 43.32 C ATOM 840 C ASP A 444 -4.423 9.803 -1.647 1.00 45.42 C ATOM 841 O ASP A 444 -3.385 10.355 -1.289 1.00 72.03 O ATOM 842 CB ASP A 444 -6.136 11.543 -1.232 1.00 23.15 C ATOM 843 CG ASP A 444 -6.522 12.935 -1.735 1.00 45.13 C ATOM 844 OD1 ASP A 444 -6.616 13.893 -0.953 1.00 2.13 O ATOM 845 OD2 ASP A 444 -6.733 13.017 -3.005 1.00 1.11 O ATOM 0 H ASP A 444 -7.447 9.722 -2.304 1.00 34.21 H new ATOM 0 HA ASP A 444 -5.178 11.205 -3.129 1.00 43.32 H new ATOM 0 HB2 ASP A 444 -7.019 11.070 -0.803 1.00 23.15 H new ATOM 0 HB3 ASP A 444 -5.410 11.653 -0.426 1.00 23.15 H new ATOM 850 N ALA A 445 -4.668 8.508 -1.515 1.00 12.02 N ATOM 851 CA ALA A 445 -3.687 7.618 -0.916 1.00 21.13 C ATOM 852 C ALA A 445 -2.644 7.235 -1.967 1.00 32.32 C ATOM 853 O ALA A 445 -1.623 6.631 -1.643 1.00 1.01 O ATOM 854 CB ALA A 445 -4.397 6.397 -0.328 1.00 43.30 C ATOM 0 H ALA A 445 -5.531 8.053 -1.812 1.00 12.02 H new ATOM 0 HA ALA A 445 -3.165 8.116 -0.099 1.00 21.13 H new ATOM 0 HB1 ALA A 445 -3.661 5.730 0.121 1.00 43.30 H new ATOM 0 HB2 ALA A 445 -5.106 6.720 0.434 1.00 43.30 H new ATOM 0 HB3 ALA A 445 -4.930 5.870 -1.119 1.00 43.30 H new ATOM 860 N ILE A 446 -2.937 7.602 -3.206 1.00 32.11 N ATOM 861 CA ILE A 446 -2.036 7.304 -4.307 1.00 74.12 C ATOM 862 C ILE A 446 -1.087 8.485 -4.519 1.00 62.20 C ATOM 863 O ILE A 446 -0.059 8.349 -5.180 1.00 53.33 O ATOM 864 CB ILE A 446 -2.829 6.921 -5.559 1.00 4.54 C ATOM 865 CG1 ILE A 446 -2.140 5.783 -6.316 1.00 54.11 C ATOM 866 CG2 ILE A 446 -3.069 8.141 -6.451 1.00 12.53 C ATOM 867 CD1 ILE A 446 -3.154 4.969 -7.122 1.00 4.44 C ATOM 0 H ILE A 446 -3.785 8.103 -3.472 1.00 32.11 H new ATOM 0 HA ILE A 446 -1.419 6.437 -4.070 1.00 74.12 H new ATOM 0 HB ILE A 446 -3.807 6.555 -5.246 1.00 4.54 H new ATOM 0 HG12 ILE A 446 -1.383 6.192 -6.985 1.00 54.11 H new ATOM 0 HG13 ILE A 446 -1.624 5.132 -5.610 1.00 54.11 H new ATOM 0 HG21 ILE A 446 -3.634 7.841 -7.333 1.00 12.53 H new ATOM 0 HG22 ILE A 446 -3.632 8.892 -5.897 1.00 12.53 H new ATOM 0 HG23 ILE A 446 -2.111 8.561 -6.759 1.00 12.53 H new ATOM 0 HD11 ILE A 446 -2.639 4.167 -7.650 1.00 4.44 H new ATOM 0 HD12 ILE A 446 -3.896 4.541 -6.447 1.00 4.44 H new ATOM 0 HD13 ILE A 446 -3.651 5.618 -7.843 1.00 4.44 H new ATOM 878 N ASP A 447 -1.466 9.617 -3.943 1.00 13.25 N ATOM 879 CA ASP A 447 -0.661 10.822 -4.061 1.00 51.44 C ATOM 880 C ASP A 447 0.086 11.059 -2.747 1.00 41.24 C ATOM 881 O ASP A 447 1.209 11.562 -2.750 1.00 41.23 O ATOM 882 CB ASP A 447 -1.539 12.046 -4.333 1.00 31.55 C ATOM 883 CG ASP A 447 -2.225 12.638 -3.101 1.00 0.24 C ATOM 884 OD1 ASP A 447 -3.458 12.592 -2.973 1.00 24.12 O ATOM 885 OD2 ASP A 447 -1.429 13.172 -2.237 1.00 23.21 O ATOM 0 H ASP A 447 -2.319 9.725 -3.394 1.00 13.25 H new ATOM 0 HA ASP A 447 0.034 10.685 -4.890 1.00 51.44 H new ATOM 0 HB2 ASP A 447 -0.925 12.819 -4.795 1.00 31.55 H new ATOM 0 HB3 ASP A 447 -2.304 11.771 -5.059 1.00 31.55 H new ATOM 890 N HIS A 448 -0.567 10.688 -1.656 1.00 12.20 N ATOM 891 CA HIS A 448 0.023 10.855 -0.338 1.00 54.40 C ATOM 892 C HIS A 448 1.036 9.738 -0.084 1.00 44.02 C ATOM 893 O HIS A 448 1.644 9.677 0.984 1.00 53.50 O ATOM 894 CB HIS A 448 -1.064 10.926 0.737 1.00 70.11 C ATOM 895 CG HIS A 448 -1.378 9.597 1.381 1.00 51.31 C ATOM 896 ND1 HIS A 448 -2.024 9.489 2.600 1.00 23.15 N ATOM 897 CD2 HIS A 448 -1.131 8.323 0.962 1.00 51.32 C ATOM 898 CE1 HIS A 448 -2.153 8.203 2.893 1.00 64.32 C ATOM 899 NE2 HIS A 448 -1.598 7.482 1.875 1.00 4.24 N ATOM 0 H HIS A 448 -1.499 10.272 -1.657 1.00 12.20 H new ATOM 0 HA HIS A 448 0.561 11.802 -0.293 1.00 54.40 H new ATOM 0 HB2 HIS A 448 -0.751 11.628 1.510 1.00 70.11 H new ATOM 0 HB3 HIS A 448 -1.975 11.327 0.292 1.00 70.11 H new ATOM 0 HD1 HIS A 448 -2.346 10.267 3.175 1.00 23.15 H new ATOM 0 HD2 HIS A 448 -0.638 8.046 0.042 1.00 51.32 H new ATOM 0 HE1 HIS A 448 -2.616 7.797 3.780 1.00 64.32 H new ATOM 906 N SER A 449 1.188 8.882 -1.084 1.00 21.51 N ATOM 907 CA SER A 449 2.118 7.770 -0.982 1.00 33.35 C ATOM 908 C SER A 449 2.687 7.436 -2.364 1.00 41.42 C ATOM 909 O SER A 449 2.107 7.805 -3.383 1.00 34.31 O ATOM 910 CB SER A 449 1.441 6.539 -0.375 1.00 14.12 C ATOM 911 OG SER A 449 1.233 6.682 1.027 1.00 24.15 O ATOM 0 H SER A 449 0.683 8.936 -1.969 1.00 21.51 H new ATOM 0 HA SER A 449 2.933 8.065 -0.321 1.00 33.35 H new ATOM 0 HB2 SER A 449 0.484 6.371 -0.868 1.00 14.12 H new ATOM 0 HB3 SER A 449 2.055 5.658 -0.563 1.00 14.12 H new ATOM 0 HG SER A 449 0.797 5.877 1.377 1.00 24.15 H new ATOM 916 N ALA A 450 3.816 6.741 -2.350 1.00 54.43 N ATOM 917 CA ALA A 450 4.469 6.354 -3.588 1.00 32.22 C ATOM 918 C ALA A 450 3.573 5.375 -4.348 1.00 12.53 C ATOM 919 O ALA A 450 2.890 5.760 -5.296 1.00 3.11 O ATOM 920 CB ALA A 450 5.845 5.763 -3.275 1.00 31.04 C ATOM 0 H ALA A 450 4.294 6.437 -1.502 1.00 54.43 H new ATOM 0 HA ALA A 450 4.625 7.222 -4.228 1.00 32.22 H new ATOM 0 HB1 ALA A 450 6.336 5.472 -4.204 1.00 31.04 H new ATOM 0 HB2 ALA A 450 6.453 6.508 -2.761 1.00 31.04 H new ATOM 0 HB3 ALA A 450 5.728 4.887 -2.637 1.00 31.04 H new ATOM 926 N PHE A 451 3.605 4.126 -3.906 1.00 44.14 N ATOM 927 CA PHE A 451 2.804 3.089 -4.532 1.00 44.12 C ATOM 928 C PHE A 451 1.812 2.485 -3.535 1.00 24.54 C ATOM 929 O PHE A 451 2.106 2.387 -2.345 1.00 3.43 O ATOM 930 CB PHE A 451 3.770 1.997 -4.998 1.00 45.23 C ATOM 931 CG PHE A 451 4.853 2.495 -5.957 1.00 15.01 C ATOM 932 CD1 PHE A 451 4.655 3.634 -6.674 1.00 62.52 C ATOM 933 CD2 PHE A 451 6.012 1.798 -6.093 1.00 32.44 C ATOM 934 CE1 PHE A 451 5.661 4.094 -7.565 1.00 73.14 C ATOM 935 CE2 PHE A 451 7.018 2.259 -6.984 1.00 22.02 C ATOM 936 CZ PHE A 451 6.821 3.397 -7.701 1.00 51.51 C ATOM 0 H PHE A 451 4.174 3.809 -3.121 1.00 44.14 H new ATOM 0 HA PHE A 451 2.234 3.509 -5.361 1.00 44.12 H new ATOM 0 HB2 PHE A 451 4.248 1.552 -4.125 1.00 45.23 H new ATOM 0 HB3 PHE A 451 3.201 1.207 -5.487 1.00 45.23 H new ATOM 0 HD1 PHE A 451 3.734 4.188 -6.566 1.00 62.52 H new ATOM 0 HD2 PHE A 451 6.168 0.894 -5.524 1.00 32.44 H new ATOM 0 HE1 PHE A 451 5.505 4.998 -8.135 1.00 73.14 H new ATOM 0 HE2 PHE A 451 7.939 1.705 -7.092 1.00 22.02 H new ATOM 0 HZ PHE A 451 7.585 3.748 -8.379 1.00 51.51 H new ATOM 945 N ILE A 452 0.660 2.093 -4.058 1.00 4.22 N ATOM 946 CA ILE A 452 -0.376 1.501 -3.228 1.00 20.52 C ATOM 947 C ILE A 452 -0.117 -0.001 -3.092 1.00 22.32 C ATOM 948 O ILE A 452 0.280 -0.657 -4.053 1.00 15.35 O ATOM 949 CB ILE A 452 -1.762 1.837 -3.782 1.00 33.05 C ATOM 950 CG1 ILE A 452 -1.898 3.337 -4.049 1.00 65.20 C ATOM 951 CG2 ILE A 452 -2.862 1.319 -2.853 1.00 53.01 C ATOM 952 CD1 ILE A 452 -2.474 4.061 -2.830 1.00 61.31 C ATOM 0 H ILE A 452 0.421 2.174 -5.046 1.00 4.22 H new ATOM 0 HA ILE A 452 -0.348 1.923 -2.223 1.00 20.52 H new ATOM 0 HB ILE A 452 -1.880 1.328 -4.739 1.00 33.05 H new ATOM 0 HG12 ILE A 452 -0.923 3.756 -4.298 1.00 65.20 H new ATOM 0 HG13 ILE A 452 -2.544 3.499 -4.912 1.00 65.20 H new ATOM 0 HG21 ILE A 452 -3.838 1.570 -3.269 1.00 53.01 H new ATOM 0 HG22 ILE A 452 -2.777 0.237 -2.756 1.00 53.01 H new ATOM 0 HG23 ILE A 452 -2.756 1.780 -1.871 1.00 53.01 H new ATOM 0 HD11 ILE A 452 -2.560 5.126 -3.046 1.00 61.31 H new ATOM 0 HD12 ILE A 452 -3.459 3.657 -2.599 1.00 61.31 H new ATOM 0 HD13 ILE A 452 -1.813 3.917 -1.975 1.00 61.31 H new ATOM 963 N ILE A 453 -0.350 -0.501 -1.887 1.00 3.00 N ATOM 964 CA ILE A 453 -0.145 -1.914 -1.611 1.00 54.45 C ATOM 965 C ILE A 453 -1.501 -2.586 -1.384 1.00 62.02 C ATOM 966 O ILE A 453 -2.303 -2.117 -0.576 1.00 44.01 O ATOM 967 CB ILE A 453 0.834 -2.097 -0.450 1.00 33.44 C ATOM 968 CG1 ILE A 453 2.282 -2.066 -0.946 1.00 53.10 C ATOM 969 CG2 ILE A 453 0.523 -3.374 0.333 1.00 4.11 C ATOM 970 CD1 ILE A 453 3.244 -1.723 0.193 1.00 65.04 C ATOM 0 H ILE A 453 -0.678 0.046 -1.091 1.00 3.00 H new ATOM 0 HA ILE A 453 0.317 -2.406 -2.467 1.00 54.45 H new ATOM 0 HB ILE A 453 0.711 -1.260 0.238 1.00 33.44 H new ATOM 0 HG12 ILE A 453 2.546 -3.035 -1.370 1.00 53.10 H new ATOM 0 HG13 ILE A 453 2.381 -1.331 -1.744 1.00 53.10 H new ATOM 0 HG21 ILE A 453 1.234 -3.480 1.153 1.00 4.11 H new ATOM 0 HG22 ILE A 453 -0.489 -3.317 0.735 1.00 4.11 H new ATOM 0 HG23 ILE A 453 0.602 -4.236 -0.330 1.00 4.11 H new ATOM 0 HD11 ILE A 453 4.266 -1.708 -0.186 1.00 65.04 H new ATOM 0 HD12 ILE A 453 2.993 -0.743 0.599 1.00 65.04 H new ATOM 0 HD13 ILE A 453 3.160 -2.474 0.979 1.00 65.04 H new ATOM 981 N LEU A 454 -1.717 -3.672 -2.110 1.00 71.23 N ATOM 982 CA LEU A 454 -2.962 -4.413 -1.996 1.00 53.10 C ATOM 983 C LEU A 454 -2.737 -5.651 -1.126 1.00 64.44 C ATOM 984 O LEU A 454 -2.228 -6.665 -1.602 1.00 22.23 O ATOM 985 CB LEU A 454 -3.523 -4.730 -3.384 1.00 2.43 C ATOM 986 CG LEU A 454 -3.569 -3.564 -4.373 1.00 70.14 C ATOM 987 CD1 LEU A 454 -4.567 -3.839 -5.500 1.00 73.02 C ATOM 988 CD2 LEU A 454 -3.864 -2.247 -3.653 1.00 53.43 C ATOM 0 H LEU A 454 -1.051 -4.057 -2.780 1.00 71.23 H new ATOM 0 HA LEU A 454 -3.721 -3.809 -1.499 1.00 53.10 H new ATOM 0 HB2 LEU A 454 -2.924 -5.528 -3.822 1.00 2.43 H new ATOM 0 HB3 LEU A 454 -4.534 -5.119 -3.265 1.00 2.43 H new ATOM 0 HG LEU A 454 -2.585 -3.466 -4.833 1.00 70.14 H new ATOM 0 HD11 LEU A 454 -4.580 -2.994 -6.189 1.00 73.02 H new ATOM 0 HD12 LEU A 454 -4.271 -4.740 -6.037 1.00 73.02 H new ATOM 0 HD13 LEU A 454 -5.562 -3.979 -5.078 1.00 73.02 H new ATOM 0 HD21 LEU A 454 -3.891 -1.434 -4.378 1.00 53.43 H new ATOM 0 HD22 LEU A 454 -4.828 -2.316 -3.149 1.00 53.43 H new ATOM 0 HD23 LEU A 454 -3.083 -2.051 -2.918 1.00 53.43 H new ATOM 999 N LEU A 455 -3.125 -5.527 0.135 1.00 23.31 N ATOM 1000 CA LEU A 455 -2.973 -6.624 1.076 1.00 52.12 C ATOM 1001 C LEU A 455 -4.054 -7.671 0.812 1.00 4.51 C ATOM 1002 O LEU A 455 -5.140 -7.605 1.385 1.00 42.33 O ATOM 1003 CB LEU A 455 -2.962 -6.098 2.513 1.00 63.11 C ATOM 1004 CG LEU A 455 -2.355 -7.031 3.564 1.00 11.44 C ATOM 1005 CD1 LEU A 455 -0.869 -7.265 3.297 1.00 23.31 C ATOM 1006 CD2 LEU A 455 -2.609 -6.503 4.978 1.00 13.34 C ATOM 0 H LEU A 455 -3.544 -4.684 0.527 1.00 23.31 H new ATOM 0 HA LEU A 455 -2.012 -7.118 0.934 1.00 52.12 H new ATOM 0 HB2 LEU A 455 -2.412 -5.157 2.530 1.00 63.11 H new ATOM 0 HB3 LEU A 455 -3.988 -5.873 2.805 1.00 63.11 H new ATOM 0 HG LEU A 455 -2.850 -7.999 3.488 1.00 11.44 H new ATOM 0 HD11 LEU A 455 -0.463 -7.931 4.058 1.00 23.31 H new ATOM 0 HD12 LEU A 455 -0.743 -7.718 2.314 1.00 23.31 H new ATOM 0 HD13 LEU A 455 -0.339 -6.313 3.328 1.00 23.31 H new ATOM 0 HD21 LEU A 455 -2.168 -7.184 5.705 1.00 13.34 H new ATOM 0 HD22 LEU A 455 -2.158 -5.516 5.084 1.00 13.34 H new ATOM 0 HD23 LEU A 455 -3.683 -6.432 5.152 1.00 13.34 H new ATOM 1017 N LEU A 456 -3.721 -8.615 -0.056 1.00 11.32 N ATOM 1018 CA LEU A 456 -4.652 -9.676 -0.403 1.00 14.34 C ATOM 1019 C LEU A 456 -4.799 -10.628 0.786 1.00 24.12 C ATOM 1020 O LEU A 456 -3.953 -11.495 0.999 1.00 62.04 O ATOM 1021 CB LEU A 456 -4.217 -10.369 -1.696 1.00 22.20 C ATOM 1022 CG LEU A 456 -3.780 -9.446 -2.836 1.00 21.53 C ATOM 1023 CD1 LEU A 456 -3.761 -10.196 -4.170 1.00 61.31 C ATOM 1024 CD2 LEU A 456 -4.656 -8.194 -2.896 1.00 0.13 C ATOM 0 H LEU A 456 -2.819 -8.667 -0.530 1.00 11.32 H new ATOM 0 HA LEU A 456 -5.641 -9.264 -0.607 1.00 14.34 H new ATOM 0 HB2 LEU A 456 -3.392 -11.043 -1.464 1.00 22.20 H new ATOM 0 HB3 LEU A 456 -5.043 -10.986 -2.050 1.00 22.20 H new ATOM 0 HG LEU A 456 -2.761 -9.115 -2.636 1.00 21.53 H new ATOM 0 HD11 LEU A 456 -3.447 -9.518 -4.964 1.00 61.31 H new ATOM 0 HD12 LEU A 456 -3.063 -11.031 -4.108 1.00 61.31 H new ATOM 0 HD13 LEU A 456 -4.760 -10.574 -4.389 1.00 61.31 H new ATOM 0 HD21 LEU A 456 -4.323 -7.556 -3.715 1.00 0.13 H new ATOM 0 HD22 LEU A 456 -5.694 -8.484 -3.060 1.00 0.13 H new ATOM 0 HD23 LEU A 456 -4.576 -7.649 -1.956 1.00 0.13 H new ATOM 1035 N THR A 457 -5.880 -10.435 1.528 1.00 52.31 N ATOM 1036 CA THR A 457 -6.149 -11.266 2.689 1.00 64.54 C ATOM 1037 C THR A 457 -7.596 -11.761 2.667 1.00 63.23 C ATOM 1038 O THR A 457 -8.481 -11.078 2.155 1.00 44.34 O ATOM 1039 CB THR A 457 -5.802 -10.456 3.940 1.00 14.15 C ATOM 1040 OG1 THR A 457 -6.759 -9.400 3.946 1.00 43.00 O ATOM 1041 CG2 THR A 457 -4.456 -9.738 3.818 1.00 2.22 C ATOM 0 H THR A 457 -6.580 -9.715 1.347 1.00 52.31 H new ATOM 0 HA THR A 457 -5.532 -12.164 2.684 1.00 64.54 H new ATOM 0 HB THR A 457 -5.784 -11.117 4.807 1.00 14.15 H new ATOM 0 HG1 THR A 457 -6.608 -8.826 4.726 1.00 43.00 H new ATOM 0 HG21 THR A 457 -4.258 -9.178 4.732 1.00 2.22 H new ATOM 0 HG22 THR A 457 -3.665 -10.472 3.663 1.00 2.22 H new ATOM 0 HG23 THR A 457 -4.485 -9.052 2.972 1.00 2.22 H new ATOM 1049 N SER A 458 -7.791 -12.944 3.229 1.00 42.12 N ATOM 1050 CA SER A 458 -9.116 -13.539 3.281 1.00 53.21 C ATOM 1051 C SER A 458 -10.078 -12.610 4.025 1.00 33.31 C ATOM 1052 O SER A 458 -11.295 -12.766 3.931 1.00 21.34 O ATOM 1053 CB SER A 458 -9.077 -14.912 3.954 1.00 14.01 C ATOM 1054 OG SER A 458 -8.408 -14.871 5.211 1.00 23.12 O ATOM 0 H SER A 458 -7.054 -13.507 3.653 1.00 42.12 H new ATOM 0 HA SER A 458 -9.470 -13.675 2.259 1.00 53.21 H new ATOM 0 HB2 SER A 458 -10.095 -15.275 4.097 1.00 14.01 H new ATOM 0 HB3 SER A 458 -8.574 -15.623 3.299 1.00 14.01 H new ATOM 0 HG SER A 458 -7.702 -15.550 5.228 1.00 23.12 H new ATOM 1059 N ASN A 459 -9.496 -11.664 4.746 1.00 3.22 N ATOM 1060 CA ASN A 459 -10.286 -10.709 5.505 1.00 21.13 C ATOM 1061 C ASN A 459 -10.577 -9.487 4.634 1.00 60.01 C ATOM 1062 O ASN A 459 -11.556 -8.775 4.860 1.00 31.45 O ATOM 1063 CB ASN A 459 -9.532 -10.235 6.749 1.00 31.01 C ATOM 1064 CG ASN A 459 -9.660 -11.249 7.888 1.00 51.50 C ATOM 1065 OD1 ASN A 459 -8.730 -11.959 8.230 1.00 21.21 O ATOM 1066 ND2 ASN A 459 -10.865 -11.276 8.454 1.00 74.40 N ATOM 0 H ASN A 459 -8.487 -11.538 4.821 1.00 3.22 H new ATOM 0 HA ASN A 459 -11.209 -11.202 5.809 1.00 21.13 H new ATOM 0 HB2 ASN A 459 -8.480 -10.087 6.506 1.00 31.01 H new ATOM 0 HB3 ASN A 459 -9.924 -9.270 7.071 1.00 31.01 H new ATOM 0 HD21 ASN A 459 -11.053 -11.919 9.223 1.00 74.40 H new ATOM 0 HD22 ASN A 459 -11.600 -10.654 8.118 1.00 74.40 H new ATOM 1072 N PHE A 460 -9.708 -9.278 3.654 1.00 42.44 N ATOM 1073 CA PHE A 460 -9.859 -8.152 2.748 1.00 2.12 C ATOM 1074 C PHE A 460 -10.255 -8.626 1.348 1.00 41.14 C ATOM 1075 O PHE A 460 -10.227 -9.821 1.061 1.00 45.12 O ATOM 1076 CB PHE A 460 -8.500 -7.453 2.673 1.00 12.42 C ATOM 1077 CG PHE A 460 -8.477 -6.239 1.742 1.00 60.54 C ATOM 1078 CD1 PHE A 460 -9.254 -5.156 2.017 1.00 22.51 C ATOM 1079 CD2 PHE A 460 -7.678 -6.241 0.641 1.00 41.21 C ATOM 1080 CE1 PHE A 460 -9.231 -4.028 1.154 1.00 32.31 C ATOM 1081 CE2 PHE A 460 -7.655 -5.113 -0.222 1.00 12.50 C ATOM 1082 CZ PHE A 460 -8.432 -4.032 0.053 1.00 51.45 C ATOM 0 H PHE A 460 -8.898 -9.869 3.468 1.00 42.44 H new ATOM 0 HA PHE A 460 -10.640 -7.483 3.111 1.00 2.12 H new ATOM 0 HB2 PHE A 460 -8.210 -7.136 3.675 1.00 12.42 H new ATOM 0 HB3 PHE A 460 -7.752 -8.171 2.337 1.00 12.42 H new ATOM 0 HD1 PHE A 460 -9.888 -5.154 2.891 1.00 22.51 H new ATOM 0 HD2 PHE A 460 -7.061 -7.100 0.423 1.00 41.21 H new ATOM 0 HE1 PHE A 460 -9.847 -3.168 1.372 1.00 32.31 H new ATOM 0 HE2 PHE A 460 -7.021 -5.114 -1.096 1.00 12.50 H new ATOM 0 HZ PHE A 460 -8.415 -3.175 -0.604 1.00 51.45 H new ATOM 1091 N ASP A 461 -10.614 -7.662 0.512 1.00 41.32 N ATOM 1092 CA ASP A 461 -11.014 -7.966 -0.852 1.00 44.33 C ATOM 1093 C ASP A 461 -10.025 -7.322 -1.825 1.00 63.44 C ATOM 1094 O ASP A 461 -9.551 -6.210 -1.590 1.00 33.34 O ATOM 1095 CB ASP A 461 -12.407 -7.406 -1.154 1.00 21.55 C ATOM 1096 CG ASP A 461 -13.416 -7.534 -0.013 1.00 20.33 C ATOM 1097 OD1 ASP A 461 -13.773 -6.542 0.639 1.00 11.51 O ATOM 1098 OD2 ASP A 461 -13.849 -8.731 0.202 1.00 74.40 O ATOM 0 H ASP A 461 -10.636 -6.671 0.753 1.00 41.32 H new ATOM 0 HA ASP A 461 -11.027 -9.050 -0.966 1.00 44.33 H new ATOM 0 HB2 ASP A 461 -12.310 -6.353 -1.416 1.00 21.55 H new ATOM 0 HB3 ASP A 461 -12.805 -7.917 -2.030 1.00 21.55 H new ATOM 1103 N CYS A 462 -9.741 -8.047 -2.896 1.00 31.24 N ATOM 1104 CA CYS A 462 -8.815 -7.561 -3.906 1.00 50.43 C ATOM 1105 C CYS A 462 -9.607 -6.743 -4.929 1.00 20.11 C ATOM 1106 O CYS A 462 -9.301 -5.575 -5.166 1.00 3.21 O ATOM 1107 CB CYS A 462 -8.045 -8.706 -4.565 1.00 52.05 C ATOM 1108 SG CYS A 462 -6.811 -8.036 -5.739 1.00 41.24 S ATOM 0 H CYS A 462 -10.136 -8.968 -3.087 1.00 31.24 H new ATOM 0 HA CYS A 462 -8.062 -6.926 -3.438 1.00 50.43 H new ATOM 0 HB2 CYS A 462 -7.546 -9.306 -3.803 1.00 52.05 H new ATOM 0 HB3 CYS A 462 -8.736 -9.366 -5.089 1.00 52.05 H new ATOM 0 HG CYS A 462 -6.161 -9.017 -6.292 1.00 41.24 H new ATOM 1113 N ARG A 463 -10.609 -7.388 -5.508 1.00 44.52 N ATOM 1114 CA ARG A 463 -11.447 -6.735 -6.499 1.00 3.24 C ATOM 1115 C ARG A 463 -11.723 -5.287 -6.089 1.00 15.23 C ATOM 1116 O ARG A 463 -11.859 -4.413 -6.943 1.00 71.41 O ATOM 1117 CB ARG A 463 -12.777 -7.473 -6.667 1.00 14.25 C ATOM 1118 CG ARG A 463 -12.588 -8.773 -7.453 1.00 71.51 C ATOM 1119 CD ARG A 463 -12.243 -9.933 -6.517 1.00 11.32 C ATOM 1120 NE ARG A 463 -12.770 -11.201 -7.068 1.00 23.32 N ATOM 1121 CZ ARG A 463 -14.084 -11.504 -7.151 1.00 22.50 C ATOM 1122 NH1 ARG A 463 -15.016 -10.629 -6.716 1.00 54.42 N ATOM 1123 NH2 ARG A 463 -14.441 -12.667 -7.662 1.00 42.33 N ATOM 0 H ARG A 463 -10.859 -8.357 -5.310 1.00 44.52 H new ATOM 0 HA ARG A 463 -10.913 -6.752 -7.449 1.00 3.24 H new ATOM 0 HB2 ARG A 463 -13.200 -7.695 -5.687 1.00 14.25 H new ATOM 0 HB3 ARG A 463 -13.490 -6.831 -7.185 1.00 14.25 H new ATOM 0 HG2 ARG A 463 -13.499 -9.005 -8.005 1.00 71.51 H new ATOM 0 HG3 ARG A 463 -11.794 -8.646 -8.188 1.00 71.51 H new ATOM 0 HD2 ARG A 463 -11.162 -10.002 -6.393 1.00 11.32 H new ATOM 0 HD3 ARG A 463 -12.666 -9.752 -5.529 1.00 11.32 H new ATOM 0 HE ARG A 463 -12.099 -11.890 -7.407 1.00 23.32 H new ATOM 0 HH11 ARG A 463 -14.730 -9.733 -6.322 1.00 54.42 H new ATOM 0 HH12 ARG A 463 -16.006 -10.864 -6.782 1.00 54.42 H new ATOM 0 HH21 ARG A 463 -13.729 -13.321 -7.987 1.00 42.33 H new ATOM 0 HH22 ARG A 463 -15.429 -12.912 -7.732 1.00 42.33 H new ATOM 1133 N LEU A 464 -11.801 -5.079 -4.783 1.00 24.33 N ATOM 1134 CA LEU A 464 -12.058 -3.752 -4.251 1.00 31.55 C ATOM 1135 C LEU A 464 -10.828 -2.870 -4.472 1.00 34.42 C ATOM 1136 O LEU A 464 -10.885 -1.895 -5.220 1.00 23.12 O ATOM 1137 CB LEU A 464 -12.496 -3.838 -2.787 1.00 1.32 C ATOM 1138 CG LEU A 464 -12.891 -2.515 -2.126 1.00 12.34 C ATOM 1139 CD1 LEU A 464 -11.729 -1.939 -1.317 1.00 73.24 C ATOM 1140 CD2 LEU A 464 -13.418 -1.521 -3.163 1.00 71.15 C ATOM 0 H LEU A 464 -11.691 -5.807 -4.078 1.00 24.33 H new ATOM 0 HA LEU A 464 -12.886 -3.283 -4.782 1.00 31.55 H new ATOM 0 HB2 LEU A 464 -13.343 -4.521 -2.721 1.00 1.32 H new ATOM 0 HB3 LEU A 464 -11.684 -4.281 -2.211 1.00 1.32 H new ATOM 0 HG LEU A 464 -13.704 -2.711 -1.426 1.00 12.34 H new ATOM 0 HD11 LEU A 464 -12.036 -0.999 -0.858 1.00 73.24 H new ATOM 0 HD12 LEU A 464 -11.441 -2.646 -0.539 1.00 73.24 H new ATOM 0 HD13 LEU A 464 -10.880 -1.760 -1.977 1.00 73.24 H new ATOM 0 HD21 LEU A 464 -13.692 -0.589 -2.668 1.00 71.15 H new ATOM 0 HD22 LEU A 464 -12.644 -1.324 -3.904 1.00 71.15 H new ATOM 0 HD23 LEU A 464 -14.295 -1.941 -3.657 1.00 71.15 H new ATOM 1151 N SER A 465 -9.743 -3.246 -3.810 1.00 34.02 N ATOM 1152 CA SER A 465 -8.501 -2.501 -3.925 1.00 35.04 C ATOM 1153 C SER A 465 -8.161 -2.274 -5.401 1.00 54.14 C ATOM 1154 O SER A 465 -8.052 -1.133 -5.848 1.00 52.12 O ATOM 1155 CB SER A 465 -7.354 -3.231 -3.224 1.00 4.20 C ATOM 1156 OG SER A 465 -7.559 -4.639 -3.190 1.00 2.14 O ATOM 0 H SER A 465 -9.699 -4.057 -3.192 1.00 34.02 H new ATOM 0 HA SER A 465 -8.635 -1.536 -3.436 1.00 35.04 H new ATOM 0 HB2 SER A 465 -6.418 -3.013 -3.738 1.00 4.20 H new ATOM 0 HB3 SER A 465 -7.253 -2.855 -2.206 1.00 4.20 H new ATOM 0 HG SER A 465 -7.993 -4.886 -2.347 1.00 2.14 H new ATOM 1161 N LEU A 466 -8.006 -3.379 -6.114 1.00 75.21 N ATOM 1162 CA LEU A 466 -7.682 -3.314 -7.530 1.00 4.13 C ATOM 1163 C LEU A 466 -8.676 -2.389 -8.236 1.00 64.45 C ATOM 1164 O LEU A 466 -8.376 -1.847 -9.298 1.00 14.35 O ATOM 1165 CB LEU A 466 -7.619 -4.721 -8.129 1.00 41.14 C ATOM 1166 CG LEU A 466 -7.683 -4.803 -9.656 1.00 1.34 C ATOM 1167 CD1 LEU A 466 -9.062 -4.388 -10.169 1.00 12.51 C ATOM 1168 CD2 LEU A 466 -6.563 -3.981 -10.297 1.00 2.23 C ATOM 0 H LEU A 466 -8.098 -4.323 -5.739 1.00 75.21 H new ATOM 0 HA LEU A 466 -6.690 -2.885 -7.675 1.00 4.13 H new ATOM 0 HB2 LEU A 466 -6.695 -5.194 -7.798 1.00 41.14 H new ATOM 0 HB3 LEU A 466 -8.442 -5.306 -7.719 1.00 41.14 H new ATOM 0 HG LEU A 466 -7.529 -5.842 -9.949 1.00 1.34 H new ATOM 0 HD11 LEU A 466 -9.081 -4.455 -11.257 1.00 12.51 H new ATOM 0 HD12 LEU A 466 -9.820 -5.051 -9.751 1.00 12.51 H new ATOM 0 HD13 LEU A 466 -9.270 -3.362 -9.865 1.00 12.51 H new ATOM 0 HD21 LEU A 466 -6.632 -4.057 -11.382 1.00 2.23 H new ATOM 0 HD22 LEU A 466 -6.661 -2.937 -9.999 1.00 2.23 H new ATOM 0 HD23 LEU A 466 -5.597 -4.363 -9.967 1.00 2.23 H new ATOM 1179 N HIS A 467 -9.835 -2.237 -7.614 1.00 54.21 N ATOM 1180 CA HIS A 467 -10.875 -1.386 -8.169 1.00 12.11 C ATOM 1181 C HIS A 467 -10.713 0.037 -7.633 1.00 44.45 C ATOM 1182 O HIS A 467 -11.120 0.999 -8.282 1.00 51.34 O ATOM 1183 CB HIS A 467 -12.261 -1.970 -7.893 1.00 5.24 C ATOM 1184 CG HIS A 467 -13.400 -1.034 -8.221 1.00 62.42 C ATOM 1185 ND1 HIS A 467 -13.515 -0.395 -9.442 1.00 42.43 N ATOM 1186 CD2 HIS A 467 -14.469 -0.638 -7.474 1.00 50.34 C ATOM 1187 CE1 HIS A 467 -14.610 0.352 -9.420 1.00 33.24 C ATOM 1188 NE2 HIS A 467 -15.199 0.200 -8.199 1.00 11.33 N ATOM 0 H HIS A 467 -10.078 -2.688 -6.732 1.00 54.21 H new ATOM 0 HA HIS A 467 -10.774 -1.342 -9.253 1.00 12.11 H new ATOM 0 HB2 HIS A 467 -12.379 -2.886 -8.472 1.00 5.24 H new ATOM 0 HB3 HIS A 467 -12.324 -2.247 -6.841 1.00 5.24 H new ATOM 0 HD2 HIS A 467 -14.685 -0.953 -6.464 1.00 50.34 H new ATOM 0 HE1 HIS A 467 -14.972 0.972 -10.227 1.00 33.24 H new ATOM 0 HE2 HIS A 467 -16.059 0.656 -7.894 1.00 11.33 H new ATOM 1195 N GLN A 468 -10.120 0.126 -6.451 1.00 71.14 N ATOM 1196 CA GLN A 468 -9.900 1.416 -5.820 1.00 4.52 C ATOM 1197 C GLN A 468 -8.662 2.093 -6.409 1.00 13.31 C ATOM 1198 O GLN A 468 -8.758 3.173 -6.991 1.00 72.11 O ATOM 1199 CB GLN A 468 -9.774 1.268 -4.302 1.00 71.45 C ATOM 1200 CG GLN A 468 -11.089 0.789 -3.685 1.00 61.14 C ATOM 1201 CD GLN A 468 -11.361 1.497 -2.356 1.00 33.03 C ATOM 1202 OE1 GLN A 468 -12.345 2.198 -2.188 1.00 62.25 O ATOM 1203 NE2 GLN A 468 -10.438 1.274 -1.425 1.00 11.34 N ATOM 0 H GLN A 468 -9.785 -0.674 -5.914 1.00 71.14 H new ATOM 0 HA GLN A 468 -10.765 2.049 -6.021 1.00 4.52 H new ATOM 0 HB2 GLN A 468 -8.979 0.560 -4.067 1.00 71.45 H new ATOM 0 HB3 GLN A 468 -9.489 2.224 -3.863 1.00 71.45 H new ATOM 0 HG2 GLN A 468 -11.910 0.979 -4.377 1.00 61.14 H new ATOM 0 HG3 GLN A 468 -11.049 -0.289 -3.526 1.00 61.14 H new ATOM 0 HE21 GLN A 468 -9.638 0.676 -1.633 1.00 11.34 H new ATOM 0 HE22 GLN A 468 -10.530 1.701 -0.503 1.00 11.34 H new ATOM 1210 N VAL A 469 -7.528 1.430 -6.241 1.00 64.41 N ATOM 1211 CA VAL A 469 -6.271 1.954 -6.750 1.00 15.22 C ATOM 1212 C VAL A 469 -6.447 2.352 -8.217 1.00 24.44 C ATOM 1213 O VAL A 469 -6.155 3.484 -8.596 1.00 72.34 O ATOM 1214 CB VAL A 469 -5.152 0.931 -6.537 1.00 13.33 C ATOM 1215 CG1 VAL A 469 -5.401 -0.333 -7.364 1.00 42.35 C ATOM 1216 CG2 VAL A 469 -3.787 1.538 -6.860 1.00 13.04 C ATOM 0 H VAL A 469 -7.453 0.534 -5.759 1.00 64.41 H new ATOM 0 HA VAL A 469 -5.981 2.851 -6.202 1.00 15.22 H new ATOM 0 HB VAL A 469 -5.151 0.648 -5.484 1.00 13.33 H new ATOM 0 HG11 VAL A 469 -4.592 -1.044 -7.195 1.00 42.35 H new ATOM 0 HG12 VAL A 469 -6.348 -0.783 -7.065 1.00 42.35 H new ATOM 0 HG13 VAL A 469 -5.441 -0.074 -8.422 1.00 42.35 H new ATOM 0 HG21 VAL A 469 -3.010 0.791 -6.701 1.00 13.04 H new ATOM 0 HG22 VAL A 469 -3.770 1.863 -7.900 1.00 13.04 H new ATOM 0 HG23 VAL A 469 -3.606 2.394 -6.210 1.00 13.04 H new ATOM 1226 N ASN A 470 -6.923 1.397 -9.002 1.00 54.55 N ATOM 1227 CA ASN A 470 -7.142 1.633 -10.419 1.00 54.04 C ATOM 1228 C ASN A 470 -7.880 2.961 -10.603 1.00 43.30 C ATOM 1229 O ASN A 470 -7.294 3.945 -11.051 1.00 62.45 O ATOM 1230 CB ASN A 470 -7.998 0.527 -11.038 1.00 3.52 C ATOM 1231 CG ASN A 470 -7.123 -0.575 -11.637 1.00 62.44 C ATOM 1232 OD1 ASN A 470 -7.158 -0.856 -12.824 1.00 44.51 O ATOM 1233 ND2 ASN A 470 -6.335 -1.181 -10.753 1.00 65.04 N ATOM 0 H ASN A 470 -7.163 0.458 -8.684 1.00 54.55 H new ATOM 0 HA ASN A 470 -6.169 1.652 -10.910 1.00 54.04 H new ATOM 0 HB2 ASN A 470 -8.654 0.102 -10.278 1.00 3.52 H new ATOM 0 HB3 ASN A 470 -8.638 0.949 -11.813 1.00 3.52 H new ATOM 0 HD21 ASN A 470 -5.711 -1.929 -11.055 1.00 65.04 H new ATOM 0 HD22 ASN A 470 -6.355 -0.897 -9.773 1.00 65.04 H new ATOM 1239 N GLN A 471 -9.156 2.946 -10.246 1.00 11.24 N ATOM 1240 CA GLN A 471 -9.980 4.136 -10.366 1.00 42.35 C ATOM 1241 C GLN A 471 -9.179 5.379 -9.972 1.00 10.22 C ATOM 1242 O GLN A 471 -9.208 6.388 -10.674 1.00 41.21 O ATOM 1243 CB GLN A 471 -11.249 4.011 -9.521 1.00 45.53 C ATOM 1244 CG GLN A 471 -12.117 2.847 -10.001 1.00 53.35 C ATOM 1245 CD GLN A 471 -13.176 3.328 -10.995 1.00 33.04 C ATOM 1246 OE1 GLN A 471 -13.755 4.393 -10.860 1.00 44.34 O ATOM 1247 NE2 GLN A 471 -13.395 2.486 -12.002 1.00 4.23 N ATOM 0 H GLN A 471 -9.639 2.128 -9.874 1.00 11.24 H new ATOM 0 HA GLN A 471 -10.285 4.240 -11.407 1.00 42.35 H new ATOM 0 HB2 GLN A 471 -10.980 3.861 -8.475 1.00 45.53 H new ATOM 0 HB3 GLN A 471 -11.818 4.939 -9.574 1.00 45.53 H new ATOM 0 HG2 GLN A 471 -11.489 2.090 -10.471 1.00 53.35 H new ATOM 0 HG3 GLN A 471 -12.602 2.374 -9.147 1.00 53.35 H new ATOM 0 HE21 GLN A 471 -12.876 1.610 -12.056 1.00 4.23 H new ATOM 0 HE22 GLN A 471 -14.082 2.717 -12.720 1.00 4.23 H new ATOM 1254 N ALA A 472 -8.484 5.264 -8.850 1.00 52.25 N ATOM 1255 CA ALA A 472 -7.676 6.366 -8.355 1.00 33.14 C ATOM 1256 C ALA A 472 -6.688 6.797 -9.442 1.00 42.45 C ATOM 1257 O ALA A 472 -6.567 7.985 -9.738 1.00 21.11 O ATOM 1258 CB ALA A 472 -6.972 5.943 -7.064 1.00 3.54 C ATOM 0 H ALA A 472 -8.464 4.425 -8.270 1.00 52.25 H new ATOM 0 HA ALA A 472 -8.303 7.226 -8.119 1.00 33.14 H new ATOM 0 HB1 ALA A 472 -6.366 6.769 -6.693 1.00 3.54 H new ATOM 0 HB2 ALA A 472 -7.717 5.674 -6.315 1.00 3.54 H new ATOM 0 HB3 ALA A 472 -6.331 5.084 -7.264 1.00 3.54 H new ATOM 1264 N MET A 473 -6.011 5.811 -10.006 1.00 22.41 N ATOM 1265 CA MET A 473 -5.038 6.073 -11.053 1.00 23.00 C ATOM 1266 C MET A 473 -5.697 6.753 -12.256 1.00 61.41 C ATOM 1267 O MET A 473 -5.479 7.940 -12.499 1.00 43.22 O ATOM 1268 CB MET A 473 -4.399 4.756 -11.499 1.00 73.14 C ATOM 1269 CG MET A 473 -3.708 4.057 -10.326 1.00 73.13 C ATOM 1270 SD MET A 473 -3.610 2.303 -10.633 1.00 1.44 S ATOM 1271 CE MET A 473 -2.089 1.922 -9.782 1.00 62.22 C ATOM 0 H MET A 473 -6.116 4.827 -9.758 1.00 22.41 H new ATOM 0 HA MET A 473 -4.274 6.741 -10.654 1.00 23.00 H new ATOM 0 HB2 MET A 473 -5.162 4.101 -11.919 1.00 73.14 H new ATOM 0 HB3 MET A 473 -3.674 4.949 -12.290 1.00 73.14 H new ATOM 0 HG2 MET A 473 -2.708 4.466 -10.186 1.00 73.13 H new ATOM 0 HG3 MET A 473 -4.260 4.243 -9.405 1.00 73.13 H new ATOM 0 HE1 MET A 473 -1.574 1.115 -10.302 1.00 62.22 H new ATOM 0 HE2 MET A 473 -1.452 2.806 -9.762 1.00 62.22 H new ATOM 0 HE3 MET A 473 -2.311 1.612 -8.761 1.00 62.22 H new ATOM 1279 N MET A 474 -6.488 5.973 -12.976 1.00 1.41 N ATOM 1280 CA MET A 474 -7.181 6.485 -14.147 1.00 4.31 C ATOM 1281 C MET A 474 -7.921 7.785 -13.820 1.00 0.01 C ATOM 1282 O MET A 474 -8.235 8.565 -14.717 1.00 41.22 O ATOM 1283 CB MET A 474 -8.181 5.441 -14.647 1.00 64.50 C ATOM 1284 CG MET A 474 -8.888 4.754 -13.477 1.00 43.24 C ATOM 1285 SD MET A 474 -10.471 4.121 -14.008 1.00 63.43 S ATOM 1286 CE MET A 474 -11.557 5.279 -13.192 1.00 13.31 C ATOM 0 H MET A 474 -6.665 4.989 -12.772 1.00 1.41 H new ATOM 0 HA MET A 474 -6.442 6.693 -14.921 1.00 4.31 H new ATOM 0 HB2 MET A 474 -8.918 5.918 -15.292 1.00 64.50 H new ATOM 0 HB3 MET A 474 -7.663 4.696 -15.251 1.00 64.50 H new ATOM 0 HG2 MET A 474 -8.271 3.940 -13.095 1.00 43.24 H new ATOM 0 HG3 MET A 474 -9.025 5.461 -12.659 1.00 43.24 H new ATOM 0 HE1 MET A 474 -12.580 4.903 -13.223 1.00 13.31 H new ATOM 0 HE2 MET A 474 -11.246 5.400 -12.154 1.00 13.31 H new ATOM 0 HE3 MET A 474 -11.509 6.242 -13.700 1.00 13.31 H new ATOM 1294 N SER A 475 -8.178 7.976 -12.535 1.00 21.10 N ATOM 1295 CA SER A 475 -8.875 9.166 -12.080 1.00 40.44 C ATOM 1296 C SER A 475 -7.940 10.376 -12.142 1.00 73.01 C ATOM 1297 O SER A 475 -8.313 11.427 -12.660 1.00 65.44 O ATOM 1298 CB SER A 475 -9.411 8.982 -10.659 1.00 61.35 C ATOM 1299 OG SER A 475 -9.693 10.229 -10.030 1.00 42.22 O ATOM 0 H SER A 475 -7.916 7.326 -11.794 1.00 21.10 H new ATOM 0 HA SER A 475 -9.725 9.337 -12.740 1.00 40.44 H new ATOM 0 HB2 SER A 475 -10.318 8.378 -10.689 1.00 61.35 H new ATOM 0 HB3 SER A 475 -8.681 8.433 -10.064 1.00 61.35 H new ATOM 0 HG SER A 475 -10.655 10.410 -10.079 1.00 42.22 H new ATOM 1304 N ASN A 476 -6.743 10.186 -11.606 1.00 61.41 N ATOM 1305 CA ASN A 476 -5.751 11.247 -11.594 1.00 50.15 C ATOM 1306 C ASN A 476 -4.489 10.769 -12.312 1.00 70.23 C ATOM 1307 O ASN A 476 -3.457 10.545 -11.680 1.00 25.23 O ATOM 1308 CB ASN A 476 -5.366 11.626 -10.162 1.00 4.53 C ATOM 1309 CG ASN A 476 -4.678 10.458 -9.454 1.00 44.23 C ATOM 1310 OD1 ASN A 476 -4.622 9.343 -9.947 1.00 40.43 O ATOM 1311 ND2 ASN A 476 -4.158 10.774 -8.270 1.00 22.21 N ATOM 0 H ASN A 476 -6.438 9.312 -11.177 1.00 61.41 H new ATOM 0 HA ASN A 476 -6.181 12.115 -12.093 1.00 50.15 H new ATOM 0 HB2 ASN A 476 -4.701 12.490 -10.176 1.00 4.53 H new ATOM 0 HB3 ASN A 476 -6.257 11.919 -9.607 1.00 4.53 H new ATOM 0 HD21 ASN A 476 -3.678 10.063 -7.718 1.00 22.21 H new ATOM 0 HD22 ASN A 476 -4.240 11.727 -7.915 1.00 22.21 H new ATOM 1317 N LEU A 477 -4.609 10.627 -13.624 1.00 1.44 N ATOM 1318 CA LEU A 477 -3.490 10.178 -14.434 1.00 52.44 C ATOM 1319 C LEU A 477 -2.459 11.302 -14.538 1.00 74.22 C ATOM 1320 O LEU A 477 -1.257 11.044 -14.602 1.00 11.44 O ATOM 1321 CB LEU A 477 -3.982 9.668 -15.791 1.00 30.11 C ATOM 1322 CG LEU A 477 -4.931 8.467 -15.753 1.00 63.14 C ATOM 1323 CD1 LEU A 477 -5.812 8.426 -17.002 1.00 44.03 C ATOM 1324 CD2 LEU A 477 -4.157 7.163 -15.553 1.00 72.44 C ATOM 0 H LEU A 477 -5.465 10.815 -14.146 1.00 1.44 H new ATOM 0 HA LEU A 477 -2.993 9.331 -13.961 1.00 52.44 H new ATOM 0 HB2 LEU A 477 -4.485 10.487 -16.304 1.00 30.11 H new ATOM 0 HB3 LEU A 477 -3.114 9.401 -16.393 1.00 30.11 H new ATOM 0 HG LEU A 477 -5.594 8.582 -14.895 1.00 63.14 H new ATOM 0 HD11 LEU A 477 -6.477 7.564 -16.950 1.00 44.03 H new ATOM 0 HD12 LEU A 477 -6.405 9.339 -17.059 1.00 44.03 H new ATOM 0 HD13 LEU A 477 -5.183 8.346 -17.889 1.00 44.03 H new ATOM 0 HD21 LEU A 477 -4.855 6.326 -15.530 1.00 72.44 H new ATOM 0 HD22 LEU A 477 -3.454 7.027 -16.375 1.00 72.44 H new ATOM 0 HD23 LEU A 477 -3.610 7.206 -14.611 1.00 72.44 H new ATOM 1335 N THR A 478 -2.965 12.527 -14.551 1.00 61.45 N ATOM 1336 CA THR A 478 -2.101 13.693 -14.646 1.00 30.03 C ATOM 1337 C THR A 478 -1.300 13.869 -13.354 1.00 33.34 C ATOM 1338 O THR A 478 -0.421 14.726 -13.277 1.00 72.23 O ATOM 1339 CB THR A 478 -2.973 14.900 -14.989 1.00 53.50 C ATOM 1340 OG1 THR A 478 -2.038 15.957 -15.198 1.00 3.54 O ATOM 1341 CG2 THR A 478 -3.813 15.374 -13.801 1.00 61.24 C ATOM 0 H THR A 478 -3.962 12.738 -14.497 1.00 61.45 H new ATOM 0 HA THR A 478 -1.361 13.574 -15.437 1.00 30.03 H new ATOM 0 HB THR A 478 -3.631 14.646 -15.820 1.00 53.50 H new ATOM 0 HG1 THR A 478 -1.246 15.809 -14.640 1.00 3.54 H new ATOM 0 HG21 THR A 478 -4.413 16.233 -14.100 1.00 61.24 H new ATOM 0 HG22 THR A 478 -4.470 14.568 -13.475 1.00 61.24 H new ATOM 0 HG23 THR A 478 -3.155 15.659 -12.980 1.00 61.24 H new ATOM 1349 N ARG A 479 -1.633 13.043 -12.372 1.00 73.22 N ATOM 1350 CA ARG A 479 -0.955 13.098 -11.089 1.00 44.50 C ATOM 1351 C ARG A 479 0.261 12.170 -11.090 1.00 44.15 C ATOM 1352 O ARG A 479 1.397 12.628 -11.211 1.00 2.21 O ATOM 1353 CB ARG A 479 -1.896 12.693 -9.952 1.00 24.24 C ATOM 1354 CG ARG A 479 -2.388 13.920 -9.181 1.00 15.22 C ATOM 1355 CD ARG A 479 -2.656 15.090 -10.131 1.00 2.22 C ATOM 1356 NE ARG A 479 -3.767 15.918 -9.610 1.00 11.42 N ATOM 1357 CZ ARG A 479 -5.065 15.737 -9.936 1.00 63.32 C ATOM 1358 NH1 ARG A 479 -5.427 14.751 -10.784 1.00 35.22 N ATOM 1359 NH2 ARG A 479 -5.974 16.535 -9.411 1.00 52.53 N ATOM 0 H ARG A 479 -2.362 12.333 -12.440 1.00 73.22 H new ATOM 0 HA ARG A 479 -0.631 14.126 -10.929 1.00 44.50 H new ATOM 0 HB2 ARG A 479 -2.749 12.149 -10.358 1.00 24.24 H new ATOM 0 HB3 ARG A 479 -1.380 12.015 -9.272 1.00 24.24 H new ATOM 0 HG2 ARG A 479 -3.299 13.672 -8.637 1.00 15.22 H new ATOM 0 HG3 ARG A 479 -1.644 14.211 -8.440 1.00 15.22 H new ATOM 0 HD2 ARG A 479 -1.757 15.697 -10.237 1.00 2.22 H new ATOM 0 HD3 ARG A 479 -2.905 14.714 -11.123 1.00 2.22 H new ATOM 0 HE ARG A 479 -3.538 16.673 -8.964 1.00 11.42 H new ATOM 0 HH11 ARG A 479 -4.718 14.136 -11.184 1.00 35.22 H new ATOM 0 HH12 ARG A 479 -6.410 14.621 -11.025 1.00 35.22 H new ATOM 0 HH21 ARG A 479 -5.693 17.276 -8.769 1.00 52.53 H new ATOM 0 HH22 ARG A 479 -6.959 16.411 -9.647 1.00 52.53 H new ATOM 1369 N GLN A 480 -0.017 10.881 -10.953 1.00 61.12 N ATOM 1370 CA GLN A 480 1.040 9.884 -10.937 1.00 51.32 C ATOM 1371 C GLN A 480 0.912 8.957 -12.147 1.00 64.35 C ATOM 1372 O GLN A 480 1.915 8.464 -12.664 1.00 44.41 O ATOM 1373 CB GLN A 480 1.023 9.088 -9.631 1.00 43.32 C ATOM 1374 CG GLN A 480 -0.406 8.923 -9.109 1.00 72.32 C ATOM 1375 CD GLN A 480 -1.232 8.037 -10.042 1.00 34.23 C ATOM 1376 OE1 GLN A 480 -0.917 6.884 -10.286 1.00 15.32 O ATOM 1377 NE2 GLN A 480 -2.305 8.638 -10.550 1.00 74.22 N ATOM 0 H GLN A 480 -0.960 10.504 -10.852 1.00 61.12 H new ATOM 0 HA GLN A 480 1.999 10.398 -10.997 1.00 51.32 H new ATOM 0 HB2 GLN A 480 1.471 8.107 -9.793 1.00 43.32 H new ATOM 0 HB3 GLN A 480 1.631 9.597 -8.883 1.00 43.32 H new ATOM 0 HG2 GLN A 480 -0.384 8.485 -8.111 1.00 72.32 H new ATOM 0 HG3 GLN A 480 -0.879 9.901 -9.018 1.00 72.32 H new ATOM 0 HE21 GLN A 480 -2.511 9.606 -10.304 1.00 74.22 H new ATOM 0 HE22 GLN A 480 -2.921 8.130 -11.185 1.00 74.22 H new ATOM 1384 N GLY A 481 -0.326 8.747 -12.564 1.00 54.53 N ATOM 1385 CA GLY A 481 -0.598 7.886 -13.703 1.00 53.44 C ATOM 1386 C GLY A 481 0.347 6.685 -13.720 1.00 62.52 C ATOM 1387 O GLY A 481 0.897 6.336 -14.764 1.00 32.22 O ATOM 0 H GLY A 481 -1.154 9.158 -12.134 1.00 54.53 H new ATOM 0 HA2 GLY A 481 -1.631 7.540 -13.663 1.00 53.44 H new ATOM 0 HA3 GLY A 481 -0.487 8.453 -14.627 1.00 53.44 H new ATOM 1391 N SER A 482 0.510 6.084 -12.550 1.00 72.33 N ATOM 1392 CA SER A 482 1.380 4.928 -12.417 1.00 33.42 C ATOM 1393 C SER A 482 0.560 3.698 -12.023 1.00 71.30 C ATOM 1394 O SER A 482 0.409 3.402 -10.839 1.00 44.03 O ATOM 1395 CB SER A 482 2.482 5.184 -11.388 1.00 31.42 C ATOM 1396 OG SER A 482 3.369 6.220 -11.801 1.00 32.34 O ATOM 0 H SER A 482 0.054 6.376 -11.686 1.00 72.33 H new ATOM 0 HA SER A 482 1.856 4.745 -13.381 1.00 33.42 H new ATOM 0 HB2 SER A 482 2.031 5.453 -10.433 1.00 31.42 H new ATOM 0 HB3 SER A 482 3.047 4.266 -11.226 1.00 31.42 H new ATOM 0 HG SER A 482 2.850 7.001 -12.086 1.00 32.34 H new ATOM 1401 N PRO A 483 0.038 2.997 -13.064 1.00 25.54 N ATOM 1402 CA PRO A 483 -0.762 1.805 -12.838 1.00 53.43 C ATOM 1403 C PRO A 483 0.118 0.620 -12.435 1.00 74.21 C ATOM 1404 O PRO A 483 -0.382 -0.481 -12.211 1.00 41.22 O ATOM 1405 CB PRO A 483 -1.506 1.576 -14.145 1.00 50.43 C ATOM 1406 CG PRO A 483 -0.748 2.367 -15.199 1.00 24.35 C ATOM 1407 CD PRO A 483 0.197 3.317 -14.479 1.00 71.30 C ATOM 0 HA PRO A 483 -1.463 1.920 -12.011 1.00 53.43 H new ATOM 0 HB2 PRO A 483 -1.535 0.516 -14.398 1.00 50.43 H new ATOM 0 HB3 PRO A 483 -2.540 1.914 -14.071 1.00 50.43 H new ATOM 0 HG2 PRO A 483 -0.190 1.696 -15.852 1.00 24.35 H new ATOM 0 HG3 PRO A 483 -1.441 2.923 -15.830 1.00 24.35 H new ATOM 0 HD2 PRO A 483 1.227 3.172 -14.804 1.00 71.30 H new ATOM 0 HD3 PRO A 483 -0.058 4.357 -14.681 1.00 71.30 H new ATOM 1412 N ASP A 484 1.413 0.886 -12.357 1.00 44.15 N ATOM 1413 CA ASP A 484 2.368 -0.144 -11.985 1.00 72.01 C ATOM 1414 C ASP A 484 2.844 0.100 -10.552 1.00 41.45 C ATOM 1415 O ASP A 484 3.987 -0.201 -10.214 1.00 51.33 O ATOM 1416 CB ASP A 484 3.593 -0.115 -12.901 1.00 34.43 C ATOM 1417 CG ASP A 484 3.967 1.268 -13.439 1.00 30.04 C ATOM 1418 OD1 ASP A 484 4.820 1.965 -12.872 1.00 65.42 O ATOM 1419 OD2 ASP A 484 3.331 1.628 -14.503 1.00 10.41 O ATOM 0 H ASP A 484 1.824 1.800 -12.545 1.00 44.15 H new ATOM 0 HA ASP A 484 1.873 -1.111 -12.074 1.00 72.01 H new ATOM 0 HB2 ASP A 484 4.446 -0.518 -12.355 1.00 34.43 H new ATOM 0 HB3 ASP A 484 3.412 -0.780 -13.746 1.00 34.43 H new ATOM 1424 N CYS A 485 1.941 0.644 -9.748 1.00 22.22 N ATOM 1425 CA CYS A 485 2.255 0.932 -8.359 1.00 2.52 C ATOM 1426 C CYS A 485 1.405 0.016 -7.475 1.00 62.22 C ATOM 1427 O CYS A 485 1.372 0.179 -6.256 1.00 1.15 O ATOM 1428 CB CYS A 485 2.036 2.409 -8.025 1.00 3.11 C ATOM 1429 SG CYS A 485 0.249 2.750 -7.831 1.00 44.45 S ATOM 0 H CYS A 485 0.993 0.892 -10.032 1.00 22.22 H new ATOM 0 HA CYS A 485 3.311 0.737 -8.174 1.00 2.52 H new ATOM 0 HB2 CYS A 485 2.565 2.665 -7.107 1.00 3.11 H new ATOM 0 HB3 CYS A 485 2.450 3.034 -8.816 1.00 3.11 H new ATOM 0 HG CYS A 485 0.075 4.006 -7.546 1.00 44.45 H new ATOM 1434 N VAL A 486 0.740 -0.929 -8.124 1.00 75.13 N ATOM 1435 CA VAL A 486 -0.107 -1.872 -7.413 1.00 73.12 C ATOM 1436 C VAL A 486 0.736 -3.064 -6.956 1.00 32.41 C ATOM 1437 O VAL A 486 1.173 -3.871 -7.776 1.00 15.52 O ATOM 1438 CB VAL A 486 -1.290 -2.279 -8.292 1.00 51.24 C ATOM 1439 CG1 VAL A 486 -2.459 -2.781 -7.442 1.00 22.23 C ATOM 1440 CG2 VAL A 486 -1.728 -1.121 -9.193 1.00 34.44 C ATOM 0 H VAL A 486 0.771 -1.062 -9.135 1.00 75.13 H new ATOM 0 HA VAL A 486 -0.527 -1.409 -6.520 1.00 73.12 H new ATOM 0 HB VAL A 486 -0.964 -3.099 -8.932 1.00 51.24 H new ATOM 0 HG11 VAL A 486 -3.287 -3.064 -8.092 1.00 22.23 H new ATOM 0 HG12 VAL A 486 -2.141 -3.647 -6.862 1.00 22.23 H new ATOM 0 HG13 VAL A 486 -2.783 -1.990 -6.765 1.00 22.23 H new ATOM 0 HG21 VAL A 486 -2.571 -1.437 -9.808 1.00 34.44 H new ATOM 0 HG22 VAL A 486 -2.026 -0.273 -8.576 1.00 34.44 H new ATOM 0 HG23 VAL A 486 -0.899 -0.827 -9.837 1.00 34.44 H new ATOM 1450 N ILE A 487 0.941 -3.136 -5.649 1.00 12.32 N ATOM 1451 CA ILE A 487 1.724 -4.217 -5.074 1.00 60.11 C ATOM 1452 C ILE A 487 0.822 -5.083 -4.192 1.00 51.23 C ATOM 1453 O ILE A 487 0.574 -4.748 -3.034 1.00 62.41 O ATOM 1454 CB ILE A 487 2.947 -3.660 -4.343 1.00 21.54 C ATOM 1455 CG1 ILE A 487 3.449 -2.378 -5.010 1.00 12.42 C ATOM 1456 CG2 ILE A 487 4.049 -4.718 -4.233 1.00 32.42 C ATOM 1457 CD1 ILE A 487 4.049 -2.675 -6.387 1.00 63.34 C ATOM 0 H ILE A 487 0.579 -2.464 -4.972 1.00 12.32 H new ATOM 0 HA ILE A 487 2.116 -4.863 -5.859 1.00 60.11 H new ATOM 0 HB ILE A 487 2.648 -3.399 -3.328 1.00 21.54 H new ATOM 0 HG12 ILE A 487 2.626 -1.671 -5.113 1.00 12.42 H new ATOM 0 HG13 ILE A 487 4.199 -1.904 -4.377 1.00 12.42 H new ATOM 0 HG21 ILE A 487 4.907 -4.297 -3.709 1.00 32.42 H new ATOM 0 HG22 ILE A 487 3.673 -5.579 -3.680 1.00 32.42 H new ATOM 0 HG23 ILE A 487 4.352 -5.033 -5.232 1.00 32.42 H new ATOM 0 HD11 ILE A 487 4.398 -1.747 -6.840 1.00 63.34 H new ATOM 0 HD12 ILE A 487 4.887 -3.363 -6.278 1.00 63.34 H new ATOM 0 HD13 ILE A 487 3.289 -3.126 -7.025 1.00 63.34 H new ATOM 1468 N PRO A 488 0.341 -6.206 -4.790 1.00 44.14 N ATOM 1469 CA PRO A 488 -0.529 -7.121 -4.072 1.00 65.03 C ATOM 1470 C PRO A 488 0.265 -7.954 -3.063 1.00 65.34 C ATOM 1471 O PRO A 488 0.965 -8.892 -3.441 1.00 44.23 O ATOM 1472 CB PRO A 488 -1.189 -7.964 -5.149 1.00 31.02 C ATOM 1473 CG PRO A 488 -0.323 -7.809 -6.388 1.00 74.44 C ATOM 1474 CD PRO A 488 0.613 -6.632 -6.159 1.00 23.35 C ATOM 0 HA PRO A 488 -1.280 -6.605 -3.474 1.00 65.03 H new ATOM 0 HB2 PRO A 488 -1.251 -9.009 -4.844 1.00 31.02 H new ATOM 0 HB3 PRO A 488 -2.208 -7.626 -5.340 1.00 31.02 H new ATOM 0 HG2 PRO A 488 0.247 -8.720 -6.572 1.00 74.44 H new ATOM 0 HG3 PRO A 488 -0.943 -7.638 -7.268 1.00 74.44 H new ATOM 0 HD2 PRO A 488 1.656 -6.925 -6.283 1.00 23.35 H new ATOM 0 HD3 PRO A 488 0.421 -5.828 -6.870 1.00 23.35 H new ATOM 1479 N PHE A 489 0.130 -7.581 -1.798 1.00 11.11 N ATOM 1480 CA PHE A 489 0.825 -8.282 -0.733 1.00 5.12 C ATOM 1481 C PHE A 489 0.035 -9.512 -0.279 1.00 1.13 C ATOM 1482 O PHE A 489 -1.137 -9.662 -0.619 1.00 45.25 O ATOM 1483 CB PHE A 489 0.946 -7.307 0.441 1.00 22.03 C ATOM 1484 CG PHE A 489 2.151 -7.569 1.345 1.00 63.20 C ATOM 1485 CD1 PHE A 489 2.099 -8.557 2.279 1.00 52.42 C ATOM 1486 CD2 PHE A 489 3.275 -6.814 1.217 1.00 31.31 C ATOM 1487 CE1 PHE A 489 3.217 -8.799 3.120 1.00 75.12 C ATOM 1488 CE2 PHE A 489 4.394 -7.057 2.057 1.00 53.20 C ATOM 1489 CZ PHE A 489 4.342 -8.044 2.990 1.00 62.12 C ATOM 0 H PHE A 489 -0.451 -6.802 -1.488 1.00 11.11 H new ATOM 0 HA PHE A 489 1.800 -8.619 -1.085 1.00 5.12 H new ATOM 0 HB2 PHE A 489 1.011 -6.291 0.051 1.00 22.03 H new ATOM 0 HB3 PHE A 489 0.037 -7.361 1.040 1.00 22.03 H new ATOM 0 HD1 PHE A 489 1.207 -9.157 2.381 1.00 52.42 H new ATOM 0 HD2 PHE A 489 3.317 -6.029 0.476 1.00 31.31 H new ATOM 0 HE1 PHE A 489 3.175 -9.582 3.863 1.00 75.12 H new ATOM 0 HE2 PHE A 489 5.286 -6.457 1.954 1.00 53.20 H new ATOM 0 HZ PHE A 489 5.193 -8.229 3.628 1.00 62.12 H new ATOM 1498 N LEU A 490 0.711 -10.362 0.482 1.00 53.43 N ATOM 1499 CA LEU A 490 0.087 -11.574 0.986 1.00 45.22 C ATOM 1500 C LEU A 490 0.714 -11.944 2.331 1.00 43.55 C ATOM 1501 O LEU A 490 1.816 -12.488 2.378 1.00 34.21 O ATOM 1502 CB LEU A 490 0.166 -12.689 -0.057 1.00 14.23 C ATOM 1503 CG LEU A 490 -0.784 -13.872 0.153 1.00 70.12 C ATOM 1504 CD1 LEU A 490 -0.260 -14.810 1.244 1.00 74.25 C ATOM 1505 CD2 LEU A 490 -2.205 -13.388 0.448 1.00 14.10 C ATOM 0 H LEU A 490 1.684 -10.235 0.761 1.00 53.43 H new ATOM 0 HA LEU A 490 -0.976 -11.410 1.164 1.00 45.22 H new ATOM 0 HB2 LEU A 490 -0.034 -12.257 -1.038 1.00 14.23 H new ATOM 0 HB3 LEU A 490 1.188 -13.068 -0.078 1.00 14.23 H new ATOM 0 HG LEU A 490 -0.824 -14.446 -0.773 1.00 70.12 H new ATOM 0 HD11 LEU A 490 -0.953 -15.641 1.373 1.00 74.25 H new ATOM 0 HD12 LEU A 490 0.718 -15.195 0.954 1.00 74.25 H new ATOM 0 HD13 LEU A 490 -0.171 -14.263 2.182 1.00 74.25 H new ATOM 0 HD21 LEU A 490 -2.859 -14.248 0.593 1.00 14.10 H new ATOM 0 HD22 LEU A 490 -2.201 -12.778 1.351 1.00 14.10 H new ATOM 0 HD23 LEU A 490 -2.568 -12.793 -0.390 1.00 14.10 H new ATOM 1516 N PRO A 491 -0.034 -11.625 3.423 1.00 74.24 N ATOM 1517 CA PRO A 491 0.439 -11.917 4.765 1.00 13.45 C ATOM 1518 C PRO A 491 0.317 -13.411 5.075 1.00 54.43 C ATOM 1519 O PRO A 491 -0.470 -14.117 4.445 1.00 31.52 O ATOM 1520 CB PRO A 491 -0.410 -11.049 5.678 1.00 54.41 C ATOM 1521 CG PRO A 491 -1.630 -10.654 4.863 1.00 14.03 C ATOM 1522 CD PRO A 491 -1.342 -10.978 3.406 1.00 31.04 C ATOM 0 HA PRO A 491 1.498 -11.693 4.897 1.00 13.45 H new ATOM 0 HB2 PRO A 491 -0.700 -11.594 6.576 1.00 54.41 H new ATOM 0 HB3 PRO A 491 0.143 -10.168 6.005 1.00 54.41 H new ATOM 0 HG2 PRO A 491 -2.511 -11.196 5.208 1.00 14.03 H new ATOM 0 HG3 PRO A 491 -1.842 -9.592 4.983 1.00 14.03 H new ATOM 0 HD2 PRO A 491 -2.104 -11.636 2.988 1.00 31.04 H new ATOM 0 HD3 PRO A 491 -1.330 -10.076 2.794 1.00 31.04 H new ATOM 1527 N LEU A 492 1.105 -13.847 6.046 1.00 42.21 N ATOM 1528 CA LEU A 492 1.095 -15.244 6.449 1.00 75.50 C ATOM 1529 C LEU A 492 -0.252 -15.573 7.095 1.00 11.44 C ATOM 1530 O LEU A 492 -0.646 -16.737 7.156 1.00 63.15 O ATOM 1531 CB LEU A 492 2.298 -15.553 7.341 1.00 54.33 C ATOM 1532 CG LEU A 492 3.668 -15.165 6.780 1.00 55.32 C ATOM 1533 CD1 LEU A 492 4.453 -14.319 7.783 1.00 55.54 C ATOM 1534 CD2 LEU A 492 4.449 -16.404 6.338 1.00 13.14 C ATOM 0 H LEU A 492 1.755 -13.258 6.566 1.00 42.21 H new ATOM 0 HA LEU A 492 1.199 -15.893 5.579 1.00 75.50 H new ATOM 0 HB2 LEU A 492 2.160 -15.041 8.293 1.00 54.33 H new ATOM 0 HB3 LEU A 492 2.304 -16.622 7.552 1.00 54.33 H new ATOM 0 HG LEU A 492 3.513 -14.549 5.894 1.00 55.32 H new ATOM 0 HD11 LEU A 492 5.422 -14.058 7.358 1.00 55.54 H new ATOM 0 HD12 LEU A 492 3.897 -13.408 8.005 1.00 55.54 H new ATOM 0 HD13 LEU A 492 4.601 -14.887 8.701 1.00 55.54 H new ATOM 0 HD21 LEU A 492 5.419 -16.101 5.943 1.00 13.14 H new ATOM 0 HD22 LEU A 492 4.595 -17.066 7.192 1.00 13.14 H new ATOM 0 HD23 LEU A 492 3.890 -16.929 5.564 1.00 13.14 H new ATOM 1545 N GLU A 493 -0.921 -14.529 7.561 1.00 61.23 N ATOM 1546 CA GLU A 493 -2.215 -14.692 8.201 1.00 30.32 C ATOM 1547 C GLU A 493 -3.259 -15.144 7.178 1.00 24.22 C ATOM 1548 O GLU A 493 -4.163 -15.911 7.506 1.00 45.50 O ATOM 1549 CB GLU A 493 -2.651 -13.402 8.896 1.00 61.14 C ATOM 1550 CG GLU A 493 -2.260 -13.417 10.375 1.00 62.31 C ATOM 1551 CD GLU A 493 -3.357 -14.060 11.226 1.00 72.41 C ATOM 1552 OE1 GLU A 493 -4.455 -13.498 11.350 1.00 54.03 O ATOM 1553 OE2 GLU A 493 -3.036 -15.184 11.770 1.00 15.23 O ATOM 0 H GLU A 493 -0.591 -13.565 7.508 1.00 61.23 H new ATOM 0 HA GLU A 493 -2.125 -15.464 8.966 1.00 30.32 H new ATOM 0 HB2 GLU A 493 -2.191 -12.546 8.403 1.00 61.14 H new ATOM 0 HB3 GLU A 493 -3.730 -13.281 8.803 1.00 61.14 H new ATOM 0 HG2 GLU A 493 -1.327 -13.966 10.503 1.00 62.31 H new ATOM 0 HG3 GLU A 493 -2.080 -12.398 10.717 1.00 62.31 H new ATOM 1559 N SER A 494 -3.099 -14.650 5.959 1.00 24.12 N ATOM 1560 CA SER A 494 -4.017 -14.993 4.886 1.00 3.32 C ATOM 1561 C SER A 494 -3.271 -15.738 3.777 1.00 41.24 C ATOM 1562 O SER A 494 -2.064 -15.952 3.872 1.00 25.43 O ATOM 1563 CB SER A 494 -4.696 -13.744 4.322 1.00 50.41 C ATOM 1564 OG SER A 494 -5.704 -13.243 5.197 1.00 32.44 O ATOM 0 H SER A 494 -2.347 -14.015 5.691 1.00 24.12 H new ATOM 0 HA SER A 494 -4.792 -15.642 5.294 1.00 3.32 H new ATOM 0 HB2 SER A 494 -3.947 -12.970 4.151 1.00 50.41 H new ATOM 0 HB3 SER A 494 -5.140 -13.978 3.354 1.00 50.41 H new ATOM 0 HG SER A 494 -5.282 -12.793 5.958 1.00 32.44 H new ATOM 1569 N SER A 495 -4.021 -16.111 2.750 1.00 62.13 N ATOM 1570 CA SER A 495 -3.445 -16.827 1.624 1.00 62.33 C ATOM 1571 C SER A 495 -4.173 -16.443 0.333 1.00 23.12 C ATOM 1572 O SER A 495 -5.251 -15.854 0.376 1.00 71.14 O ATOM 1573 CB SER A 495 -3.512 -18.340 1.841 1.00 43.44 C ATOM 1574 OG SER A 495 -2.277 -18.865 2.320 1.00 32.34 O ATOM 0 H SER A 495 -5.022 -15.931 2.674 1.00 62.13 H new ATOM 0 HA SER A 495 -2.395 -16.546 1.540 1.00 62.33 H new ATOM 0 HB2 SER A 495 -4.304 -18.569 2.554 1.00 43.44 H new ATOM 0 HB3 SER A 495 -3.775 -18.830 0.903 1.00 43.44 H new ATOM 0 HG SER A 495 -2.361 -19.833 2.448 1.00 32.34 H new ATOM 1579 N PRO A 496 -3.536 -16.804 -0.813 1.00 50.22 N ATOM 1580 CA PRO A 496 -4.110 -16.503 -2.113 1.00 4.22 C ATOM 1581 C PRO A 496 -5.278 -17.441 -2.427 1.00 22.42 C ATOM 1582 O PRO A 496 -6.244 -17.040 -3.073 1.00 52.34 O ATOM 1583 CB PRO A 496 -2.957 -16.643 -3.093 1.00 14.22 C ATOM 1584 CG PRO A 496 -1.897 -17.463 -2.377 1.00 14.32 C ATOM 1585 CD PRO A 496 -2.258 -17.503 -0.901 1.00 33.41 C ATOM 0 HA PRO A 496 -4.539 -15.502 -2.162 1.00 4.22 H new ATOM 0 HB2 PRO A 496 -3.281 -17.138 -4.009 1.00 14.22 H new ATOM 0 HB3 PRO A 496 -2.567 -15.666 -3.379 1.00 14.22 H new ATOM 0 HG2 PRO A 496 -1.853 -18.472 -2.787 1.00 14.32 H new ATOM 0 HG3 PRO A 496 -0.911 -17.019 -2.517 1.00 14.32 H new ATOM 0 HD2 PRO A 496 -2.342 -18.529 -0.542 1.00 33.41 H new ATOM 0 HD3 PRO A 496 -1.496 -17.014 -0.294 1.00 33.41 H new ATOM 1590 N ALA A 497 -5.151 -18.671 -1.953 1.00 72.33 N ATOM 1591 CA ALA A 497 -6.184 -19.669 -2.173 1.00 35.33 C ATOM 1592 C ALA A 497 -7.495 -19.186 -1.551 1.00 54.31 C ATOM 1593 O ALA A 497 -8.575 -19.493 -2.054 1.00 22.44 O ATOM 1594 CB ALA A 497 -5.727 -21.013 -1.602 1.00 41.44 C ATOM 0 H ALA A 497 -4.348 -19.000 -1.417 1.00 72.33 H new ATOM 0 HA ALA A 497 -6.358 -19.811 -3.239 1.00 35.33 H new ATOM 0 HB1 ALA A 497 -6.502 -21.761 -1.767 1.00 41.44 H new ATOM 0 HB2 ALA A 497 -4.809 -21.326 -2.099 1.00 41.44 H new ATOM 0 HB3 ALA A 497 -5.544 -20.911 -0.532 1.00 41.44 H new ATOM 1600 N GLN A 498 -7.358 -18.437 -0.467 1.00 75.43 N ATOM 1601 CA GLN A 498 -8.518 -17.908 0.228 1.00 54.14 C ATOM 1602 C GLN A 498 -9.246 -16.887 -0.651 1.00 3.15 C ATOM 1603 O GLN A 498 -10.348 -16.454 -0.322 1.00 51.15 O ATOM 1604 CB GLN A 498 -8.119 -17.290 1.570 1.00 65.12 C ATOM 1605 CG GLN A 498 -6.986 -18.083 2.223 1.00 2.22 C ATOM 1606 CD GLN A 498 -7.053 -17.981 3.748 1.00 52.35 C ATOM 1607 OE1 GLN A 498 -6.755 -16.958 4.341 1.00 62.53 O ATOM 1608 NE2 GLN A 498 -7.462 -19.095 4.347 1.00 25.22 N ATOM 0 H GLN A 498 -6.461 -18.184 -0.053 1.00 75.43 H new ATOM 0 HA GLN A 498 -9.200 -18.733 0.433 1.00 54.14 H new ATOM 0 HB2 GLN A 498 -7.805 -16.257 1.420 1.00 65.12 H new ATOM 0 HB3 GLN A 498 -8.982 -17.267 2.235 1.00 65.12 H new ATOM 0 HG2 GLN A 498 -7.049 -19.129 1.922 1.00 2.22 H new ATOM 0 HG3 GLN A 498 -6.025 -17.707 1.872 1.00 2.22 H new ATOM 0 HE21 GLN A 498 -7.696 -19.917 3.790 1.00 25.22 H new ATOM 0 HE22 GLN A 498 -7.542 -19.128 5.363 1.00 25.22 H new ATOM 1615 N LEU A 499 -8.597 -16.534 -1.751 1.00 42.15 N ATOM 1616 CA LEU A 499 -9.168 -15.573 -2.679 1.00 2.22 C ATOM 1617 C LEU A 499 -9.703 -16.313 -3.907 1.00 63.44 C ATOM 1618 O LEU A 499 -9.448 -17.504 -4.079 1.00 22.33 O ATOM 1619 CB LEU A 499 -8.149 -14.481 -3.014 1.00 5.24 C ATOM 1620 CG LEU A 499 -7.232 -14.046 -1.868 1.00 31.44 C ATOM 1621 CD1 LEU A 499 -6.143 -13.096 -2.370 1.00 45.11 C ATOM 1622 CD2 LEU A 499 -8.039 -13.439 -0.719 1.00 21.24 C ATOM 0 H LEU A 499 -7.682 -16.896 -2.020 1.00 42.15 H new ATOM 0 HA LEU A 499 -10.014 -15.058 -2.223 1.00 2.22 H new ATOM 0 HB2 LEU A 499 -7.527 -14.832 -3.838 1.00 5.24 H new ATOM 0 HB3 LEU A 499 -8.689 -13.605 -3.373 1.00 5.24 H new ATOM 0 HG LEU A 499 -6.732 -14.931 -1.475 1.00 31.44 H new ATOM 0 HD11 LEU A 499 -5.505 -12.801 -1.537 1.00 45.11 H new ATOM 0 HD12 LEU A 499 -5.542 -13.599 -3.127 1.00 45.11 H new ATOM 0 HD13 LEU A 499 -6.605 -12.209 -2.804 1.00 45.11 H new ATOM 0 HD21 LEU A 499 -7.363 -13.139 0.082 1.00 21.24 H new ATOM 0 HD22 LEU A 499 -8.585 -12.567 -1.079 1.00 21.24 H new ATOM 0 HD23 LEU A 499 -8.745 -14.178 -0.340 1.00 21.24 H new ATOM 1633 N SER A 500 -10.433 -15.576 -4.731 1.00 71.13 N ATOM 1634 CA SER A 500 -11.005 -16.147 -5.939 1.00 60.42 C ATOM 1635 C SER A 500 -9.890 -16.555 -6.903 1.00 62.31 C ATOM 1636 O SER A 500 -8.713 -16.305 -6.642 1.00 42.42 O ATOM 1637 CB SER A 500 -11.958 -15.160 -6.616 1.00 21.22 C ATOM 1638 OG SER A 500 -12.092 -15.419 -8.011 1.00 75.23 O ATOM 0 H SER A 500 -10.642 -14.588 -4.586 1.00 71.13 H new ATOM 0 HA SER A 500 -11.578 -17.032 -5.662 1.00 60.42 H new ATOM 0 HB2 SER A 500 -12.937 -15.218 -6.141 1.00 21.22 H new ATOM 0 HB3 SER A 500 -11.592 -14.144 -6.469 1.00 21.22 H new ATOM 0 HG SER A 500 -13.027 -15.299 -8.278 1.00 75.23 H new ATOM 1643 N SER A 501 -10.298 -17.178 -8.000 1.00 31.12 N ATOM 1644 CA SER A 501 -9.348 -17.624 -9.005 1.00 51.02 C ATOM 1645 C SER A 501 -8.967 -16.457 -9.919 1.00 73.04 C ATOM 1646 O SER A 501 -8.003 -16.545 -10.677 1.00 2.45 O ATOM 1647 CB SER A 501 -9.920 -18.779 -9.829 1.00 72.03 C ATOM 1648 OG SER A 501 -10.198 -19.921 -9.025 1.00 22.54 O ATOM 0 H SER A 501 -11.274 -17.384 -8.214 1.00 31.12 H new ATOM 0 HA SER A 501 -8.455 -17.985 -8.495 1.00 51.02 H new ATOM 0 HB2 SER A 501 -10.835 -18.453 -10.324 1.00 72.03 H new ATOM 0 HB3 SER A 501 -9.213 -19.051 -10.613 1.00 72.03 H new ATOM 0 HG SER A 501 -10.563 -20.636 -9.587 1.00 22.54 H new ATOM 1653 N ASP A 502 -9.745 -15.389 -9.817 1.00 20.41 N ATOM 1654 CA ASP A 502 -9.502 -14.206 -10.625 1.00 73.35 C ATOM 1655 C ASP A 502 -8.359 -13.397 -10.007 1.00 21.03 C ATOM 1656 O ASP A 502 -7.523 -12.850 -10.724 1.00 63.32 O ATOM 1657 CB ASP A 502 -10.740 -13.310 -10.677 1.00 13.44 C ATOM 1658 CG ASP A 502 -11.512 -13.196 -9.361 1.00 15.52 C ATOM 1659 OD1 ASP A 502 -10.921 -12.995 -8.290 1.00 73.01 O ATOM 1660 OD2 ASP A 502 -12.791 -13.326 -9.465 1.00 14.43 O ATOM 0 H ASP A 502 -10.544 -15.318 -9.187 1.00 20.41 H new ATOM 0 HA ASP A 502 -9.251 -14.533 -11.634 1.00 73.35 H new ATOM 0 HB2 ASP A 502 -10.434 -12.311 -10.989 1.00 13.44 H new ATOM 0 HB3 ASP A 502 -11.414 -13.691 -11.444 1.00 13.44 H new ATOM 1665 N THR A 503 -8.361 -13.348 -8.682 1.00 74.21 N ATOM 1666 CA THR A 503 -7.335 -12.616 -7.961 1.00 43.01 C ATOM 1667 C THR A 503 -5.960 -12.869 -8.582 1.00 32.21 C ATOM 1668 O THR A 503 -5.074 -12.021 -8.504 1.00 73.51 O ATOM 1669 CB THR A 503 -7.418 -13.017 -6.486 1.00 43.14 C ATOM 1670 OG1 THR A 503 -8.388 -12.129 -5.939 1.00 60.04 O ATOM 1671 CG2 THR A 503 -6.137 -12.688 -5.717 1.00 63.35 C ATOM 0 H THR A 503 -9.056 -13.803 -8.091 1.00 74.21 H new ATOM 0 HA THR A 503 -7.494 -11.540 -8.032 1.00 43.01 H new ATOM 0 HB THR A 503 -7.622 -14.085 -6.411 1.00 43.14 H new ATOM 0 HG1 THR A 503 -8.283 -12.090 -4.965 1.00 60.04 H new ATOM 0 HG21 THR A 503 -6.249 -12.993 -4.676 1.00 63.35 H new ATOM 0 HG22 THR A 503 -5.298 -13.222 -6.163 1.00 63.35 H new ATOM 0 HG23 THR A 503 -5.950 -11.615 -5.763 1.00 63.35 H new ATOM 1679 N ALA A 504 -5.826 -14.042 -9.186 1.00 50.32 N ATOM 1680 CA ALA A 504 -4.574 -14.418 -9.821 1.00 43.13 C ATOM 1681 C ALA A 504 -4.337 -13.523 -11.038 1.00 61.51 C ATOM 1682 O ALA A 504 -3.256 -12.958 -11.197 1.00 41.21 O ATOM 1683 CB ALA A 504 -4.614 -15.903 -10.186 1.00 71.55 C ATOM 0 H ALA A 504 -6.564 -14.744 -9.249 1.00 50.32 H new ATOM 0 HA ALA A 504 -3.737 -14.273 -9.138 1.00 43.13 H new ATOM 0 HB1 ALA A 504 -3.675 -16.186 -10.662 1.00 71.55 H new ATOM 0 HB2 ALA A 504 -4.756 -16.496 -9.282 1.00 71.55 H new ATOM 0 HB3 ALA A 504 -5.440 -16.087 -10.874 1.00 71.55 H new ATOM 1689 N SER A 505 -5.366 -13.424 -11.868 1.00 74.54 N ATOM 1690 CA SER A 505 -5.281 -12.607 -13.068 1.00 54.55 C ATOM 1691 C SER A 505 -5.300 -11.124 -12.694 1.00 71.32 C ATOM 1692 O SER A 505 -4.834 -10.280 -13.459 1.00 61.32 O ATOM 1693 CB SER A 505 -6.427 -12.926 -14.031 1.00 72.54 C ATOM 1694 OG SER A 505 -6.107 -14.009 -14.900 1.00 44.12 O ATOM 0 H SER A 505 -6.261 -13.895 -11.734 1.00 74.54 H new ATOM 0 HA SER A 505 -4.342 -12.835 -13.573 1.00 54.55 H new ATOM 0 HB2 SER A 505 -7.323 -13.171 -13.460 1.00 72.54 H new ATOM 0 HB3 SER A 505 -6.659 -12.041 -14.624 1.00 72.54 H new ATOM 0 HG SER A 505 -6.864 -14.183 -15.498 1.00 44.12 H new ATOM 1699 N LEU A 506 -5.844 -10.850 -11.517 1.00 52.05 N ATOM 1700 CA LEU A 506 -5.929 -9.483 -11.032 1.00 73.33 C ATOM 1701 C LEU A 506 -4.525 -8.980 -10.686 1.00 53.40 C ATOM 1702 O LEU A 506 -4.234 -7.794 -10.831 1.00 21.21 O ATOM 1703 CB LEU A 506 -6.920 -9.388 -9.870 1.00 2.42 C ATOM 1704 CG LEU A 506 -8.364 -9.781 -10.187 1.00 41.41 C ATOM 1705 CD1 LEU A 506 -9.168 -9.999 -8.903 1.00 75.43 C ATOM 1706 CD2 LEU A 506 -9.024 -8.752 -11.107 1.00 55.03 C ATOM 0 H LEU A 506 -6.230 -11.552 -10.885 1.00 52.05 H new ATOM 0 HA LEU A 506 -6.320 -8.827 -11.809 1.00 73.33 H new ATOM 0 HB2 LEU A 506 -6.561 -10.022 -9.060 1.00 2.42 H new ATOM 0 HB3 LEU A 506 -6.916 -8.363 -9.498 1.00 2.42 H new ATOM 0 HG LEU A 506 -8.349 -10.730 -10.723 1.00 41.41 H new ATOM 0 HD11 LEU A 506 -10.191 -10.277 -9.157 1.00 75.43 H new ATOM 0 HD12 LEU A 506 -8.710 -10.796 -8.318 1.00 75.43 H new ATOM 0 HD13 LEU A 506 -9.177 -9.079 -8.319 1.00 75.43 H new ATOM 0 HD21 LEU A 506 -10.050 -9.056 -11.316 1.00 55.03 H new ATOM 0 HD22 LEU A 506 -9.027 -7.777 -10.620 1.00 55.03 H new ATOM 0 HD23 LEU A 506 -8.466 -8.689 -12.041 1.00 55.03 H new ATOM 1717 N LEU A 507 -3.694 -9.908 -10.236 1.00 62.50 N ATOM 1718 CA LEU A 507 -2.329 -9.574 -9.869 1.00 22.43 C ATOM 1719 C LEU A 507 -1.366 -10.195 -10.882 1.00 32.44 C ATOM 1720 O LEU A 507 -0.164 -10.282 -10.631 1.00 3.55 O ATOM 1721 CB LEU A 507 -2.047 -9.984 -8.421 1.00 13.32 C ATOM 1722 CG LEU A 507 -2.004 -11.489 -8.147 1.00 1.10 C ATOM 1723 CD1 LEU A 507 -0.583 -12.033 -8.292 1.00 24.22 C ATOM 1724 CD2 LEU A 507 -2.607 -11.814 -6.779 1.00 22.44 C ATOM 0 H LEU A 507 -3.940 -10.891 -10.117 1.00 62.50 H new ATOM 0 HA LEU A 507 -2.179 -8.495 -9.906 1.00 22.43 H new ATOM 0 HB2 LEU A 507 -1.092 -9.553 -8.121 1.00 13.32 H new ATOM 0 HB3 LEU A 507 -2.811 -9.540 -7.783 1.00 13.32 H new ATOM 0 HG LEU A 507 -2.617 -11.990 -8.896 1.00 1.10 H new ATOM 0 HD11 LEU A 507 -0.581 -13.104 -8.092 1.00 24.22 H new ATOM 0 HD12 LEU A 507 -0.226 -11.853 -9.306 1.00 24.22 H new ATOM 0 HD13 LEU A 507 0.073 -11.530 -7.582 1.00 24.22 H new ATOM 0 HD21 LEU A 507 -2.564 -12.890 -6.609 1.00 22.44 H new ATOM 0 HD22 LEU A 507 -2.042 -11.301 -6.001 1.00 22.44 H new ATOM 0 HD23 LEU A 507 -3.645 -11.483 -6.751 1.00 22.44 H new ATOM 1735 N SER A 508 -1.928 -10.613 -12.006 1.00 4.32 N ATOM 1736 CA SER A 508 -1.135 -11.225 -13.059 1.00 74.00 C ATOM 1737 C SER A 508 -0.320 -10.154 -13.788 1.00 1.22 C ATOM 1738 O SER A 508 -0.867 -9.369 -14.559 1.00 13.34 O ATOM 1739 CB SER A 508 -2.022 -11.982 -14.050 1.00 41.44 C ATOM 1740 OG SER A 508 -1.362 -12.210 -15.290 1.00 74.30 O ATOM 0 H SER A 508 -2.924 -10.540 -12.211 1.00 4.32 H new ATOM 0 HA SER A 508 -0.455 -11.943 -12.601 1.00 74.00 H new ATOM 0 HB2 SER A 508 -2.318 -12.937 -13.616 1.00 41.44 H new ATOM 0 HB3 SER A 508 -2.936 -11.415 -14.225 1.00 41.44 H new ATOM 0 HG SER A 508 -1.960 -12.697 -15.894 1.00 74.30 H new ATOM 1745 N GLY A 509 0.976 -10.157 -13.515 1.00 63.51 N ATOM 1746 CA GLY A 509 1.873 -9.196 -14.135 1.00 70.42 C ATOM 1747 C GLY A 509 2.478 -8.257 -13.090 1.00 71.13 C ATOM 1748 O GLY A 509 3.545 -7.683 -13.308 1.00 33.12 O ATOM 0 H GLY A 509 1.427 -10.809 -12.873 1.00 63.51 H new ATOM 0 HA2 GLY A 509 2.670 -9.723 -14.660 1.00 70.42 H new ATOM 0 HA3 GLY A 509 1.330 -8.615 -14.880 1.00 70.42 H new ATOM 1752 N LEU A 510 1.773 -8.129 -11.976 1.00 2.32 N ATOM 1753 CA LEU A 510 2.227 -7.270 -10.896 1.00 12.30 C ATOM 1754 C LEU A 510 3.269 -8.016 -10.060 1.00 55.02 C ATOM 1755 O LEU A 510 3.700 -9.108 -10.429 1.00 1.30 O ATOM 1756 CB LEU A 510 1.036 -6.760 -10.082 1.00 74.25 C ATOM 1757 CG LEU A 510 0.146 -5.725 -10.773 1.00 64.24 C ATOM 1758 CD1 LEU A 510 -1.122 -5.463 -9.960 1.00 12.51 C ATOM 1759 CD2 LEU A 510 0.921 -4.436 -11.056 1.00 13.13 C ATOM 0 H LEU A 510 0.889 -8.606 -11.798 1.00 2.32 H new ATOM 0 HA LEU A 510 2.716 -6.381 -11.295 1.00 12.30 H new ATOM 0 HB2 LEU A 510 0.418 -7.614 -9.805 1.00 74.25 H new ATOM 0 HB3 LEU A 510 1.413 -6.326 -9.156 1.00 74.25 H new ATOM 0 HG LEU A 510 -0.166 -6.131 -11.735 1.00 64.24 H new ATOM 0 HD11 LEU A 510 -1.737 -4.724 -10.473 1.00 12.51 H new ATOM 0 HD12 LEU A 510 -1.684 -6.391 -9.853 1.00 12.51 H new ATOM 0 HD13 LEU A 510 -0.851 -5.087 -8.973 1.00 12.51 H new ATOM 0 HD21 LEU A 510 0.265 -3.717 -11.547 1.00 13.13 H new ATOM 0 HD22 LEU A 510 1.282 -4.015 -10.118 1.00 13.13 H new ATOM 0 HD23 LEU A 510 1.769 -4.656 -11.705 1.00 13.13 H new ATOM 1770 N VAL A 511 3.644 -7.397 -8.950 1.00 74.11 N ATOM 1771 CA VAL A 511 4.628 -7.988 -8.060 1.00 2.22 C ATOM 1772 C VAL A 511 3.955 -8.352 -6.734 1.00 1.34 C ATOM 1773 O VAL A 511 3.755 -7.491 -5.878 1.00 14.12 O ATOM 1774 CB VAL A 511 5.815 -7.039 -7.887 1.00 5.20 C ATOM 1775 CG1 VAL A 511 6.547 -7.311 -6.571 1.00 51.24 C ATOM 1776 CG2 VAL A 511 6.773 -7.135 -9.077 1.00 11.41 C ATOM 0 H VAL A 511 3.284 -6.492 -8.647 1.00 74.11 H new ATOM 0 HA VAL A 511 5.026 -8.909 -8.487 1.00 2.22 H new ATOM 0 HB VAL A 511 5.427 -6.021 -7.851 1.00 5.20 H new ATOM 0 HG11 VAL A 511 7.387 -6.623 -6.473 1.00 51.24 H new ATOM 0 HG12 VAL A 511 5.861 -7.168 -5.736 1.00 51.24 H new ATOM 0 HG13 VAL A 511 6.916 -8.337 -6.565 1.00 51.24 H new ATOM 0 HG21 VAL A 511 7.608 -6.450 -8.928 1.00 11.41 H new ATOM 0 HG22 VAL A 511 7.150 -8.154 -9.159 1.00 11.41 H new ATOM 0 HG23 VAL A 511 6.244 -6.869 -9.992 1.00 11.41 H new ATOM 1786 N ARG A 512 3.624 -9.628 -6.606 1.00 32.23 N ATOM 1787 CA ARG A 512 2.979 -10.117 -5.399 1.00 54.30 C ATOM 1788 C ARG A 512 3.981 -10.170 -4.245 1.00 45.30 C ATOM 1789 O ARG A 512 5.064 -10.738 -4.384 1.00 21.21 O ATOM 1790 CB ARG A 512 2.387 -11.511 -5.617 1.00 64.14 C ATOM 1791 CG ARG A 512 1.595 -11.969 -4.390 1.00 74.12 C ATOM 1792 CD ARG A 512 0.788 -13.231 -4.698 1.00 42.32 C ATOM 1793 NE ARG A 512 1.611 -14.433 -4.437 1.00 73.41 N ATOM 1794 CZ ARG A 512 2.448 -14.988 -5.341 1.00 53.11 C ATOM 1795 NH1 ARG A 512 2.579 -14.453 -6.573 1.00 41.23 N ATOM 1796 NH2 ARG A 512 3.135 -16.062 -5.001 1.00 0.55 N ATOM 0 H ARG A 512 3.790 -10.339 -7.318 1.00 32.23 H new ATOM 0 HA ARG A 512 2.172 -9.427 -5.152 1.00 54.30 H new ATOM 0 HB2 ARG A 512 1.736 -11.501 -6.491 1.00 64.14 H new ATOM 0 HB3 ARG A 512 3.187 -12.222 -5.824 1.00 64.14 H new ATOM 0 HG2 ARG A 512 2.278 -12.163 -3.563 1.00 74.12 H new ATOM 0 HG3 ARG A 512 0.923 -11.173 -4.068 1.00 74.12 H new ATOM 0 HD2 ARG A 512 -0.112 -13.256 -4.084 1.00 42.32 H new ATOM 0 HD3 ARG A 512 0.464 -13.221 -5.739 1.00 42.32 H new ATOM 0 HE ARG A 512 1.542 -14.870 -3.518 1.00 73.41 H new ATOM 0 HH11 ARG A 512 2.044 -13.623 -6.828 1.00 41.23 H new ATOM 0 HH12 ARG A 512 3.213 -14.879 -7.249 1.00 41.23 H new ATOM 0 HH21 ARG A 512 3.030 -16.461 -4.068 1.00 0.55 H new ATOM 0 HH22 ARG A 512 3.771 -16.494 -5.671 1.00 0.55 H new ATOM 1806 N LEU A 513 3.586 -9.571 -3.132 1.00 44.24 N ATOM 1807 CA LEU A 513 4.436 -9.542 -1.954 1.00 61.32 C ATOM 1808 C LEU A 513 4.021 -10.667 -1.004 1.00 62.23 C ATOM 1809 O LEU A 513 2.833 -10.914 -0.811 1.00 44.03 O ATOM 1810 CB LEU A 513 4.415 -8.154 -1.310 1.00 52.20 C ATOM 1811 CG LEU A 513 5.569 -7.224 -1.685 1.00 65.44 C ATOM 1812 CD1 LEU A 513 6.060 -7.502 -3.106 1.00 34.03 C ATOM 1813 CD2 LEU A 513 5.177 -5.757 -1.491 1.00 20.22 C ATOM 0 H LEU A 513 2.687 -9.101 -3.021 1.00 44.24 H new ATOM 0 HA LEU A 513 5.475 -9.723 -2.230 1.00 61.32 H new ATOM 0 HB2 LEU A 513 3.479 -7.665 -1.578 1.00 52.20 H new ATOM 0 HB3 LEU A 513 4.411 -8.278 -0.227 1.00 52.20 H new ATOM 0 HG LEU A 513 6.402 -7.427 -1.012 1.00 65.44 H new ATOM 0 HD11 LEU A 513 6.881 -6.826 -3.346 1.00 34.03 H new ATOM 0 HD12 LEU A 513 6.407 -8.533 -3.176 1.00 34.03 H new ATOM 0 HD13 LEU A 513 5.243 -7.345 -3.810 1.00 34.03 H new ATOM 0 HD21 LEU A 513 6.016 -5.117 -1.765 1.00 20.22 H new ATOM 0 HD22 LEU A 513 4.320 -5.523 -2.123 1.00 20.22 H new ATOM 0 HD23 LEU A 513 4.915 -5.585 -0.447 1.00 20.22 H new ATOM 1824 N ASP A 514 5.025 -11.319 -0.435 1.00 31.32 N ATOM 1825 CA ASP A 514 4.780 -12.411 0.489 1.00 4.05 C ATOM 1826 C ASP A 514 5.819 -12.367 1.613 1.00 34.41 C ATOM 1827 O ASP A 514 6.979 -12.034 1.377 1.00 52.22 O ATOM 1828 CB ASP A 514 4.901 -13.766 -0.212 1.00 14.13 C ATOM 1829 CG ASP A 514 3.580 -14.358 -0.709 1.00 43.24 C ATOM 1830 OD1 ASP A 514 3.260 -14.291 -1.904 1.00 70.44 O ATOM 1831 OD2 ASP A 514 2.856 -14.913 0.203 1.00 42.14 O ATOM 0 H ASP A 514 6.010 -11.111 -0.597 1.00 31.32 H new ATOM 0 HA ASP A 514 3.770 -12.297 0.882 1.00 4.05 H new ATOM 0 HB2 ASP A 514 5.576 -13.660 -1.061 1.00 14.13 H new ATOM 0 HB3 ASP A 514 5.363 -14.474 0.476 1.00 14.13 H new ATOM 1836 N GLU A 515 5.364 -12.707 2.810 1.00 11.32 N ATOM 1837 CA GLU A 515 6.239 -12.709 3.970 1.00 40.13 C ATOM 1838 C GLU A 515 7.104 -13.971 3.980 1.00 41.35 C ATOM 1839 O GLU A 515 8.261 -13.932 4.396 1.00 30.33 O ATOM 1840 CB GLU A 515 5.434 -12.586 5.265 1.00 12.32 C ATOM 1841 CG GLU A 515 6.189 -11.754 6.303 1.00 53.52 C ATOM 1842 CD GLU A 515 6.787 -12.647 7.392 1.00 11.11 C ATOM 1843 OE1 GLU A 515 7.337 -13.715 7.085 1.00 52.12 O ATOM 1844 OE2 GLU A 515 6.666 -12.197 8.594 1.00 3.01 O ATOM 0 H GLU A 515 4.401 -12.983 3.002 1.00 11.32 H new ATOM 0 HA GLU A 515 6.896 -11.842 3.906 1.00 40.13 H new ATOM 0 HB2 GLU A 515 4.469 -12.124 5.055 1.00 12.32 H new ATOM 0 HB3 GLU A 515 5.231 -13.579 5.667 1.00 12.32 H new ATOM 0 HG2 GLU A 515 6.983 -11.189 5.814 1.00 53.52 H new ATOM 0 HG3 GLU A 515 5.513 -11.028 6.754 1.00 53.52 H new ATOM 1850 N HIS A 516 6.509 -15.061 3.517 1.00 74.11 N ATOM 1851 CA HIS A 516 7.211 -16.332 3.467 1.00 34.30 C ATOM 1852 C HIS A 516 7.960 -16.455 2.138 1.00 54.23 C ATOM 1853 O HIS A 516 8.400 -17.542 1.768 1.00 75.14 O ATOM 1854 CB HIS A 516 6.247 -17.494 3.712 1.00 24.01 C ATOM 1855 CG HIS A 516 4.883 -17.304 3.090 1.00 62.31 C ATOM 1856 ND1 HIS A 516 3.713 -17.696 3.714 1.00 14.43 N ATOM 1857 CD2 HIS A 516 4.519 -16.759 1.894 1.00 13.11 C ATOM 1858 CE1 HIS A 516 2.695 -17.398 2.919 1.00 45.03 C ATOM 1859 NE2 HIS A 516 3.198 -16.818 1.793 1.00 55.21 N ATOM 0 H HIS A 516 5.549 -15.090 3.173 1.00 74.11 H new ATOM 0 HA HIS A 516 7.951 -16.373 4.266 1.00 34.30 H new ATOM 0 HB2 HIS A 516 6.690 -18.409 3.319 1.00 24.01 H new ATOM 0 HB3 HIS A 516 6.129 -17.634 4.786 1.00 24.01 H new ATOM 0 HD2 HIS A 516 5.192 -16.349 1.155 1.00 13.11 H new ATOM 0 HE1 HIS A 516 1.651 -17.582 3.127 1.00 45.03 H new ATOM 0 HE2 HIS A 516 2.648 -16.484 1.002 1.00 55.21 H new ATOM 1866 N SER A 517 8.081 -15.324 1.458 1.00 42.24 N ATOM 1867 CA SER A 517 8.769 -15.289 0.180 1.00 54.25 C ATOM 1868 C SER A 517 10.210 -14.813 0.374 1.00 74.24 C ATOM 1869 O SER A 517 10.441 -13.691 0.821 1.00 73.33 O ATOM 1870 CB SER A 517 8.039 -14.382 -0.814 1.00 44.21 C ATOM 1871 OG SER A 517 8.865 -14.027 -1.919 1.00 24.12 O ATOM 0 H SER A 517 7.714 -14.425 1.769 1.00 42.24 H new ATOM 0 HA SER A 517 8.779 -16.299 -0.231 1.00 54.25 H new ATOM 0 HB2 SER A 517 7.145 -14.888 -1.178 1.00 44.21 H new ATOM 0 HB3 SER A 517 7.708 -13.478 -0.304 1.00 44.21 H new ATOM 0 HG SER A 517 8.334 -14.044 -2.743 1.00 24.12 H new ATOM 1876 N GLN A 518 11.140 -15.690 0.026 1.00 64.20 N ATOM 1877 CA GLN A 518 12.551 -15.374 0.155 1.00 65.44 C ATOM 1878 C GLN A 518 12.983 -14.403 -0.946 1.00 60.14 C ATOM 1879 O GLN A 518 14.137 -13.984 -0.993 1.00 1.10 O ATOM 1880 CB GLN A 518 13.403 -16.645 0.129 1.00 3.11 C ATOM 1881 CG GLN A 518 13.471 -17.231 -1.283 1.00 41.24 C ATOM 1882 CD GLN A 518 14.645 -16.639 -2.065 1.00 74.20 C ATOM 1883 OE1 GLN A 518 15.588 -16.101 -1.509 1.00 32.11 O ATOM 1884 NE2 GLN A 518 14.536 -16.768 -3.384 1.00 14.42 N ATOM 0 H GLN A 518 10.943 -16.619 -0.345 1.00 64.20 H new ATOM 0 HA GLN A 518 12.706 -14.891 1.120 1.00 65.44 H new ATOM 0 HB2 GLN A 518 14.409 -16.420 0.482 1.00 3.11 H new ATOM 0 HB3 GLN A 518 12.983 -17.383 0.813 1.00 3.11 H new ATOM 0 HG2 GLN A 518 13.576 -18.314 -1.226 1.00 41.24 H new ATOM 0 HG3 GLN A 518 12.539 -17.028 -1.810 1.00 41.24 H new ATOM 0 HE21 GLN A 518 13.720 -17.229 -3.786 1.00 14.42 H new ATOM 0 HE22 GLN A 518 15.269 -16.406 -3.994 1.00 14.42 H new ATOM 1891 N ILE A 519 12.029 -14.075 -1.806 1.00 10.01 N ATOM 1892 CA ILE A 519 12.296 -13.161 -2.904 1.00 52.21 C ATOM 1893 C ILE A 519 11.571 -11.838 -2.648 1.00 50.12 C ATOM 1894 O ILE A 519 12.013 -10.785 -3.106 1.00 31.03 O ATOM 1895 CB ILE A 519 11.934 -13.812 -4.241 1.00 1.21 C ATOM 1896 CG1 ILE A 519 11.270 -12.802 -5.181 1.00 63.23 C ATOM 1897 CG2 ILE A 519 11.067 -15.054 -4.030 1.00 54.30 C ATOM 1898 CD1 ILE A 519 12.275 -11.747 -5.651 1.00 3.33 C ATOM 0 H ILE A 519 11.072 -14.425 -1.765 1.00 10.01 H new ATOM 0 HA ILE A 519 13.361 -12.935 -2.963 1.00 52.21 H new ATOM 0 HB ILE A 519 12.856 -14.141 -4.721 1.00 1.21 H new ATOM 0 HG12 ILE A 519 10.853 -13.322 -6.043 1.00 63.23 H new ATOM 0 HG13 ILE A 519 10.439 -12.316 -4.670 1.00 63.23 H new ATOM 0 HG21 ILE A 519 10.824 -15.497 -4.996 1.00 54.30 H new ATOM 0 HG22 ILE A 519 11.611 -15.779 -3.425 1.00 54.30 H new ATOM 0 HG23 ILE A 519 10.147 -14.773 -3.518 1.00 54.30 H new ATOM 0 HD11 ILE A 519 11.778 -11.042 -6.317 1.00 3.33 H new ATOM 0 HD12 ILE A 519 12.672 -11.212 -4.788 1.00 3.33 H new ATOM 0 HD13 ILE A 519 13.092 -12.234 -6.183 1.00 3.33 H new ATOM 1909 N PHE A 520 10.470 -11.934 -1.918 1.00 23.23 N ATOM 1910 CA PHE A 520 9.680 -10.758 -1.596 1.00 3.14 C ATOM 1911 C PHE A 520 10.579 -9.564 -1.276 1.00 65.02 C ATOM 1912 O PHE A 520 10.250 -8.426 -1.608 1.00 35.51 O ATOM 1913 CB PHE A 520 8.849 -11.104 -0.358 1.00 73.34 C ATOM 1914 CG PHE A 520 8.576 -9.909 0.560 1.00 30.54 C ATOM 1915 CD1 PHE A 520 8.135 -8.736 0.035 1.00 1.21 C ATOM 1916 CD2 PHE A 520 8.776 -10.022 1.901 1.00 13.34 C ATOM 1917 CE1 PHE A 520 7.881 -7.628 0.887 1.00 2.30 C ATOM 1918 CE2 PHE A 520 8.523 -8.915 2.753 1.00 12.42 C ATOM 1919 CZ PHE A 520 8.080 -7.741 2.227 1.00 51.11 C ATOM 0 H PHE A 520 10.106 -12.809 -1.540 1.00 23.23 H new ATOM 0 HA PHE A 520 9.052 -10.487 -2.445 1.00 3.14 H new ATOM 0 HB2 PHE A 520 7.897 -11.528 -0.678 1.00 73.34 H new ATOM 0 HB3 PHE A 520 9.367 -11.876 0.211 1.00 73.34 H new ATOM 0 HD1 PHE A 520 7.978 -8.646 -1.030 1.00 1.21 H new ATOM 0 HD2 PHE A 520 9.127 -10.954 2.318 1.00 13.34 H new ATOM 0 HE1 PHE A 520 7.530 -6.696 0.470 1.00 2.30 H new ATOM 0 HE2 PHE A 520 8.682 -9.005 3.817 1.00 12.42 H new ATOM 0 HZ PHE A 520 7.886 -6.898 2.874 1.00 51.11 H new ATOM 1928 N ALA A 521 11.700 -9.863 -0.632 1.00 14.22 N ATOM 1929 CA ALA A 521 12.650 -8.828 -0.265 1.00 51.33 C ATOM 1930 C ALA A 521 13.074 -8.061 -1.519 1.00 50.20 C ATOM 1931 O ALA A 521 13.090 -6.831 -1.523 1.00 41.41 O ATOM 1932 CB ALA A 521 13.838 -9.460 0.462 1.00 22.23 C ATOM 0 H ALA A 521 11.970 -10.807 -0.356 1.00 14.22 H new ATOM 0 HA ALA A 521 12.192 -8.113 0.419 1.00 51.33 H new ATOM 0 HB1 ALA A 521 14.551 -8.683 0.737 1.00 22.23 H new ATOM 0 HB2 ALA A 521 13.487 -9.966 1.361 1.00 22.23 H new ATOM 0 HB3 ALA A 521 14.324 -10.182 -0.194 1.00 22.23 H new ATOM 1938 N ARG A 522 13.408 -8.819 -2.552 1.00 32.54 N ATOM 1939 CA ARG A 522 13.833 -8.227 -3.810 1.00 0.43 C ATOM 1940 C ARG A 522 12.634 -7.616 -4.538 1.00 73.04 C ATOM 1941 O ARG A 522 12.802 -6.762 -5.409 1.00 64.43 O ATOM 1942 CB ARG A 522 14.494 -9.270 -4.714 1.00 43.31 C ATOM 1943 CG ARG A 522 15.844 -9.711 -4.147 1.00 54.14 C ATOM 1944 CD ARG A 522 15.660 -10.747 -3.036 1.00 61.41 C ATOM 1945 NE ARG A 522 16.959 -11.379 -2.714 1.00 43.23 N ATOM 1946 CZ ARG A 522 17.581 -12.278 -3.506 1.00 53.43 C ATOM 1947 NH1 ARG A 522 17.025 -12.660 -4.675 1.00 12.13 N ATOM 1948 NH2 ARG A 522 18.738 -12.779 -3.118 1.00 33.22 N ATOM 0 H ARG A 522 13.393 -9.839 -2.544 1.00 32.54 H new ATOM 0 HA ARG A 522 14.561 -7.448 -3.583 1.00 0.43 H new ATOM 0 HB2 ARG A 522 13.839 -10.135 -4.817 1.00 43.31 H new ATOM 0 HB3 ARG A 522 14.633 -8.855 -5.712 1.00 43.31 H new ATOM 0 HG2 ARG A 522 16.457 -10.132 -4.944 1.00 54.14 H new ATOM 0 HG3 ARG A 522 16.379 -8.845 -3.757 1.00 54.14 H new ATOM 0 HD2 ARG A 522 15.248 -10.270 -2.147 1.00 61.41 H new ATOM 0 HD3 ARG A 522 14.944 -11.507 -3.351 1.00 61.41 H new ATOM 0 HE ARG A 522 17.413 -11.119 -1.838 1.00 43.23 H new ATOM 0 HH11 ARG A 522 16.129 -12.269 -4.965 1.00 12.13 H new ATOM 0 HH12 ARG A 522 17.501 -13.340 -5.268 1.00 12.13 H new ATOM 0 HH21 ARG A 522 19.149 -12.486 -2.232 1.00 33.22 H new ATOM 0 HH22 ARG A 522 19.221 -13.459 -3.704 1.00 33.22 H new ATOM 1958 N LYS A 523 11.452 -8.074 -4.155 1.00 14.10 N ATOM 1959 CA LYS A 523 10.226 -7.582 -4.762 1.00 0.14 C ATOM 1960 C LYS A 523 9.929 -6.178 -4.233 1.00 53.13 C ATOM 1961 O LYS A 523 9.622 -5.272 -5.006 1.00 74.04 O ATOM 1962 CB LYS A 523 9.084 -8.577 -4.544 1.00 1.03 C ATOM 1963 CG LYS A 523 9.487 -9.983 -4.996 1.00 53.54 C ATOM 1964 CD LYS A 523 10.002 -9.966 -6.437 1.00 62.43 C ATOM 1965 CE LYS A 523 8.949 -9.400 -7.391 1.00 31.11 C ATOM 1966 NZ LYS A 523 9.164 -9.914 -8.763 1.00 44.03 N ATOM 0 H LYS A 523 11.316 -8.781 -3.432 1.00 14.10 H new ATOM 0 HA LYS A 523 10.342 -7.498 -5.843 1.00 0.14 H new ATOM 0 HB2 LYS A 523 8.809 -8.595 -3.489 1.00 1.03 H new ATOM 0 HB3 LYS A 523 8.203 -8.252 -5.097 1.00 1.03 H new ATOM 0 HG2 LYS A 523 10.259 -10.375 -4.334 1.00 53.54 H new ATOM 0 HG3 LYS A 523 8.631 -10.653 -4.919 1.00 53.54 H new ATOM 0 HD2 LYS A 523 10.910 -9.366 -6.495 1.00 62.43 H new ATOM 0 HD3 LYS A 523 10.269 -10.978 -6.743 1.00 62.43 H new ATOM 0 HE2 LYS A 523 7.952 -9.674 -7.046 1.00 31.11 H new ATOM 0 HE3 LYS A 523 8.998 -8.311 -7.392 1.00 31.11 H new ATOM 0 HZ1 LYS A 523 9.048 -9.139 -9.446 1.00 44.03 H new ATOM 0 HZ2 LYS A 523 10.125 -10.303 -8.841 1.00 44.03 H new ATOM 0 HZ3 LYS A 523 8.470 -10.661 -8.966 1.00 44.03 H new ATOM 1975 N VAL A 524 10.030 -6.041 -2.919 1.00 20.45 N ATOM 1976 CA VAL A 524 9.775 -4.763 -2.277 1.00 74.42 C ATOM 1977 C VAL A 524 10.937 -3.811 -2.569 1.00 72.53 C ATOM 1978 O VAL A 524 10.742 -2.601 -2.679 1.00 14.23 O ATOM 1979 CB VAL A 524 9.530 -4.968 -0.782 1.00 52.11 C ATOM 1980 CG1 VAL A 524 10.852 -5.049 -0.016 1.00 71.13 C ATOM 1981 CG2 VAL A 524 8.637 -3.861 -0.215 1.00 31.40 C ATOM 0 H VAL A 524 10.285 -6.795 -2.281 1.00 20.45 H new ATOM 0 HA VAL A 524 8.871 -4.306 -2.680 1.00 74.42 H new ATOM 0 HB VAL A 524 9.009 -5.917 -0.656 1.00 52.11 H new ATOM 0 HG11 VAL A 524 10.649 -5.195 1.045 1.00 71.13 H new ATOM 0 HG12 VAL A 524 11.440 -5.887 -0.392 1.00 71.13 H new ATOM 0 HG13 VAL A 524 11.410 -4.123 -0.155 1.00 71.13 H new ATOM 0 HG21 VAL A 524 8.479 -4.031 0.850 1.00 31.40 H new ATOM 0 HG22 VAL A 524 9.119 -2.894 -0.360 1.00 31.40 H new ATOM 0 HG23 VAL A 524 7.677 -3.869 -0.730 1.00 31.40 H new ATOM 1991 N ALA A 525 12.122 -4.393 -2.685 1.00 1.12 N ATOM 1992 CA ALA A 525 13.314 -3.611 -2.961 1.00 21.32 C ATOM 1993 C ALA A 525 13.398 -3.328 -4.462 1.00 25.11 C ATOM 1994 O ALA A 525 14.286 -2.608 -4.913 1.00 72.44 O ATOM 1995 CB ALA A 525 14.545 -4.356 -2.439 1.00 25.23 C ATOM 0 H ALA A 525 12.281 -5.396 -2.593 1.00 1.12 H new ATOM 0 HA ALA A 525 13.270 -2.651 -2.447 1.00 21.32 H new ATOM 0 HB1 ALA A 525 15.440 -3.769 -2.646 1.00 25.23 H new ATOM 0 HB2 ALA A 525 14.450 -4.506 -1.364 1.00 25.23 H new ATOM 0 HB3 ALA A 525 14.622 -5.323 -2.935 1.00 25.23 H new ATOM 2001 N ASN A 526 12.460 -3.910 -5.195 1.00 0.42 N ATOM 2002 CA ASN A 526 12.415 -3.729 -6.636 1.00 64.33 C ATOM 2003 C ASN A 526 11.380 -2.656 -6.979 1.00 43.14 C ATOM 2004 O ASN A 526 11.508 -1.965 -7.989 1.00 65.52 O ATOM 2005 CB ASN A 526 12.007 -5.024 -7.340 1.00 31.40 C ATOM 2006 CG ASN A 526 13.236 -5.816 -7.790 1.00 60.25 C ATOM 2007 OD1 ASN A 526 14.311 -5.279 -7.997 1.00 54.44 O ATOM 2008 ND2 ASN A 526 13.018 -7.121 -7.927 1.00 72.35 N ATOM 0 H ASN A 526 11.725 -4.508 -4.817 1.00 0.42 H new ATOM 0 HA ASN A 526 13.410 -3.435 -6.971 1.00 64.33 H new ATOM 0 HB2 ASN A 526 11.404 -5.633 -6.667 1.00 31.40 H new ATOM 0 HB3 ASN A 526 11.384 -4.792 -8.204 1.00 31.40 H new ATOM 0 HD21 ASN A 526 13.776 -7.737 -8.222 1.00 72.35 H new ATOM 0 HD22 ASN A 526 12.093 -7.506 -7.737 1.00 72.35 H new ATOM 2014 N THR A 527 10.377 -2.550 -6.118 1.00 34.42 N ATOM 2015 CA THR A 527 9.321 -1.573 -6.319 1.00 15.41 C ATOM 2016 C THR A 527 9.539 -0.359 -5.414 1.00 35.24 C ATOM 2017 O THR A 527 9.525 0.779 -5.882 1.00 43.24 O ATOM 2018 CB THR A 527 7.980 -2.272 -6.085 1.00 4.30 C ATOM 2019 OG1 THR A 527 7.038 -1.452 -6.770 1.00 43.51 O ATOM 2020 CG2 THR A 527 7.535 -2.210 -4.622 1.00 74.34 C ATOM 0 H THR A 527 10.274 -3.124 -5.281 1.00 34.42 H new ATOM 0 HA THR A 527 9.329 -1.185 -7.338 1.00 15.41 H new ATOM 0 HB THR A 527 8.054 -3.314 -6.398 1.00 4.30 H new ATOM 0 HG1 THR A 527 7.067 -0.544 -6.403 1.00 43.51 H new ATOM 0 HG21 THR A 527 6.578 -2.720 -4.511 1.00 74.34 H new ATOM 0 HG22 THR A 527 8.281 -2.697 -3.994 1.00 74.34 H new ATOM 0 HG23 THR A 527 7.428 -1.169 -4.318 1.00 74.34 H new ATOM 2028 N PHE A 528 9.738 -0.642 -4.135 1.00 73.10 N ATOM 2029 CA PHE A 528 9.959 0.412 -3.161 1.00 61.13 C ATOM 2030 C PHE A 528 11.454 0.620 -2.908 1.00 72.32 C ATOM 2031 O PHE A 528 11.930 0.429 -1.791 1.00 23.41 O ATOM 2032 CB PHE A 528 9.291 -0.034 -1.858 1.00 13.11 C ATOM 2033 CG PHE A 528 7.761 -0.041 -1.915 1.00 71.25 C ATOM 2034 CD1 PHE A 528 7.084 1.114 -2.151 1.00 34.12 C ATOM 2035 CD2 PHE A 528 7.080 -1.203 -1.728 1.00 34.22 C ATOM 2036 CE1 PHE A 528 5.665 1.108 -2.203 1.00 64.32 C ATOM 2037 CE2 PHE A 528 5.660 -1.210 -1.781 1.00 64.32 C ATOM 2038 CZ PHE A 528 4.984 -0.053 -2.017 1.00 22.24 C ATOM 0 H PHE A 528 9.751 -1.587 -3.751 1.00 73.10 H new ATOM 0 HA PHE A 528 9.545 1.351 -3.529 1.00 61.13 H new ATOM 0 HB2 PHE A 528 9.640 -1.036 -1.607 1.00 13.11 H new ATOM 0 HB3 PHE A 528 9.612 0.627 -1.052 1.00 13.11 H new ATOM 0 HD1 PHE A 528 7.626 2.037 -2.299 1.00 34.12 H new ATOM 0 HD2 PHE A 528 7.618 -2.120 -1.539 1.00 34.22 H new ATOM 0 HE1 PHE A 528 5.127 2.026 -2.390 1.00 64.32 H new ATOM 0 HE2 PHE A 528 5.118 -2.133 -1.634 1.00 64.32 H new ATOM 0 HZ PHE A 528 3.905 -0.057 -2.057 1.00 22.24 H new ATOM 2047 N LYS A 529 12.152 1.010 -3.964 1.00 1.12 N ATOM 2048 CA LYS A 529 13.583 1.245 -3.871 1.00 12.53 C ATOM 2049 C LYS A 529 13.834 2.505 -3.040 1.00 61.14 C ATOM 2050 O LYS A 529 12.969 3.374 -2.946 1.00 75.24 O ATOM 2051 CB LYS A 529 14.210 1.293 -5.266 1.00 45.34 C ATOM 2052 CG LYS A 529 14.220 -0.094 -5.910 1.00 35.42 C ATOM 2053 CD LYS A 529 14.239 0.011 -7.438 1.00 5.34 C ATOM 2054 CE LYS A 529 14.611 -1.330 -8.075 1.00 44.33 C ATOM 2055 NZ LYS A 529 15.277 -1.116 -9.378 1.00 24.05 N ATOM 0 H LYS A 529 11.753 1.169 -4.889 1.00 1.12 H new ATOM 0 HA LYS A 529 14.073 0.419 -3.355 1.00 12.53 H new ATOM 0 HB2 LYS A 529 13.652 1.986 -5.896 1.00 45.34 H new ATOM 0 HB3 LYS A 529 15.229 1.674 -5.198 1.00 45.34 H new ATOM 0 HG2 LYS A 529 15.093 -0.651 -5.569 1.00 35.42 H new ATOM 0 HG3 LYS A 529 13.341 -0.653 -5.591 1.00 35.42 H new ATOM 0 HD2 LYS A 529 13.260 0.329 -7.796 1.00 5.34 H new ATOM 0 HD3 LYS A 529 14.954 0.774 -7.745 1.00 5.34 H new ATOM 0 HE2 LYS A 529 15.271 -1.885 -7.409 1.00 44.33 H new ATOM 0 HE3 LYS A 529 13.715 -1.935 -8.213 1.00 44.33 H new ATOM 0 HZ1 LYS A 529 15.523 -2.035 -9.797 1.00 24.05 H new ATOM 0 HZ2 LYS A 529 14.634 -0.605 -10.017 1.00 24.05 H new ATOM 0 HZ3 LYS A 529 16.143 -0.557 -9.238 1.00 24.05 H new ATOM 2064 N PRO A 530 15.055 2.565 -2.442 1.00 3.40 N ATOM 2065 CA PRO A 530 15.431 3.703 -1.621 1.00 33.03 C ATOM 2066 C PRO A 530 15.758 4.920 -2.489 1.00 42.13 C ATOM 2067 O PRO A 530 15.438 6.051 -2.125 1.00 71.12 O ATOM 2068 CB PRO A 530 16.616 3.222 -0.801 1.00 74.12 C ATOM 2069 CG PRO A 530 17.151 1.995 -1.521 1.00 43.44 C ATOM 2070 CD PRO A 530 16.103 1.553 -2.530 1.00 41.23 C ATOM 0 HA PRO A 530 14.624 4.038 -0.970 1.00 33.03 H new ATOM 0 HB2 PRO A 530 17.380 3.996 -0.728 1.00 74.12 H new ATOM 0 HB3 PRO A 530 16.313 2.976 0.217 1.00 74.12 H new ATOM 0 HG2 PRO A 530 18.091 2.226 -2.023 1.00 43.44 H new ATOM 0 HG3 PRO A 530 17.358 1.195 -0.810 1.00 43.44 H new ATOM 0 HD2 PRO A 530 16.519 1.500 -3.536 1.00 41.23 H new ATOM 0 HD3 PRO A 530 15.717 0.562 -2.292 1.00 41.23 H new ATOM 2075 N HIS A 531 16.392 4.647 -3.620 1.00 4.34 N ATOM 2076 CA HIS A 531 16.767 5.704 -4.542 1.00 14.20 C ATOM 2077 C HIS A 531 15.516 6.239 -5.245 1.00 33.43 C ATOM 2078 O HIS A 531 15.590 7.211 -5.996 1.00 23.54 O ATOM 2079 CB HIS A 531 17.835 5.218 -5.523 1.00 2.42 C ATOM 2080 CG HIS A 531 17.528 3.879 -6.150 1.00 32.45 C ATOM 2081 ND1 HIS A 531 16.883 3.751 -7.367 1.00 4.30 N ATOM 2082 CD2 HIS A 531 17.787 2.611 -5.716 1.00 4.41 C ATOM 2083 CE1 HIS A 531 16.762 2.460 -7.644 1.00 64.24 C ATOM 2084 NE2 HIS A 531 17.322 1.756 -6.619 1.00 24.33 N ATOM 0 H HIS A 531 16.655 3.708 -3.918 1.00 4.34 H new ATOM 0 HA HIS A 531 17.214 6.530 -3.990 1.00 14.20 H new ATOM 0 HB2 HIS A 531 17.952 5.960 -6.313 1.00 2.42 H new ATOM 0 HB3 HIS A 531 18.790 5.153 -5.002 1.00 2.42 H new ATOM 0 HD2 HIS A 531 18.285 2.348 -4.795 1.00 4.41 H new ATOM 0 HE1 HIS A 531 16.301 2.040 -8.526 1.00 64.24 H new ATOM 0 HE2 HIS A 531 17.375 0.739 -6.556 1.00 24.33 H new ATOM 2091 N ARG A 532 14.399 5.582 -4.975 1.00 31.14 N ATOM 2092 CA ARG A 532 13.135 5.978 -5.572 1.00 50.50 C ATOM 2093 C ARG A 532 12.301 6.779 -4.568 1.00 32.53 C ATOM 2094 O ARG A 532 11.804 7.857 -4.890 1.00 3.11 O ATOM 2095 CB ARG A 532 12.334 4.758 -6.029 1.00 23.31 C ATOM 2096 CG ARG A 532 12.660 4.399 -7.481 1.00 53.52 C ATOM 2097 CD ARG A 532 14.173 4.309 -7.697 1.00 4.34 C ATOM 2098 NE ARG A 532 14.463 3.990 -9.112 1.00 72.23 N ATOM 2099 CZ ARG A 532 14.540 4.913 -10.096 1.00 63.14 C ATOM 2100 NH1 ARG A 532 14.347 6.221 -9.823 1.00 12.41 N ATOM 2101 NH2 ARG A 532 14.805 4.516 -11.326 1.00 43.01 N ATOM 0 H ARG A 532 14.342 4.778 -4.351 1.00 31.14 H new ATOM 0 HA ARG A 532 13.359 6.597 -6.441 1.00 50.50 H new ATOM 0 HB2 ARG A 532 12.557 3.909 -5.382 1.00 23.31 H new ATOM 0 HB3 ARG A 532 11.268 4.962 -5.932 1.00 23.31 H new ATOM 0 HG2 ARG A 532 12.195 3.447 -7.737 1.00 53.52 H new ATOM 0 HG3 ARG A 532 12.238 5.150 -8.149 1.00 53.52 H new ATOM 0 HD2 ARG A 532 14.645 5.253 -7.424 1.00 4.34 H new ATOM 0 HD3 ARG A 532 14.596 3.542 -7.048 1.00 4.34 H new ATOM 0 HE ARG A 532 14.614 3.012 -9.360 1.00 72.23 H new ATOM 0 HH11 ARG A 532 14.142 6.518 -8.869 1.00 12.41 H new ATOM 0 HH12 ARG A 532 14.407 6.912 -10.571 1.00 12.41 H new ATOM 0 HH21 ARG A 532 14.948 3.525 -11.522 1.00 43.01 H new ATOM 0 HH22 ARG A 532 14.867 5.200 -12.080 1.00 43.01 H new ATOM 2111 N LEU A 533 12.176 6.220 -3.373 1.00 54.03 N ATOM 2112 CA LEU A 533 11.412 6.868 -2.321 1.00 30.31 C ATOM 2113 C LEU A 533 11.943 8.288 -2.112 1.00 33.32 C ATOM 2114 O LEU A 533 11.204 9.261 -2.269 1.00 12.45 O ATOM 2115 CB LEU A 533 11.420 6.017 -1.050 1.00 4.05 C ATOM 2116 CG LEU A 533 10.770 4.636 -1.164 1.00 53.14 C ATOM 2117 CD1 LEU A 533 10.038 4.267 0.127 1.00 52.51 C ATOM 2118 CD2 LEU A 533 9.851 4.562 -2.386 1.00 64.20 C ATOM 0 H LEU A 533 12.591 5.326 -3.110 1.00 54.03 H new ATOM 0 HA LEU A 533 10.365 6.957 -2.611 1.00 30.31 H new ATOM 0 HB2 LEU A 533 12.454 5.885 -0.731 1.00 4.05 H new ATOM 0 HB3 LEU A 533 10.912 6.572 -0.261 1.00 4.05 H new ATOM 0 HG LEU A 533 11.559 3.898 -1.309 1.00 53.14 H new ATOM 0 HD11 LEU A 533 9.585 3.281 0.019 1.00 52.51 H new ATOM 0 HD12 LEU A 533 10.746 4.253 0.955 1.00 52.51 H new ATOM 0 HD13 LEU A 533 9.260 5.004 0.328 1.00 52.51 H new ATOM 0 HD21 LEU A 533 9.402 3.571 -2.444 1.00 64.20 H new ATOM 0 HD22 LEU A 533 9.065 5.312 -2.296 1.00 64.20 H new ATOM 0 HD23 LEU A 533 10.431 4.751 -3.289 1.00 64.20 H new