USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 709 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 478 HIS : no HD1:sc=-0.00789 X(o=-0.33,f=-0.35) USER MOD Set 1.2: A 528 MET CE :methyl 147:sc= -0.323 (180deg=-0.3) USER MOD Single : A 446 CYS SG : rot 15:sc= -0.526! USER MOD Single : A 454 TYR OH : rot 180:sc= 0 USER MOD Single : A 457 THR OG1 : rot 180:sc= 0.419 USER MOD Single : A 470 THR OG1 : rot 88:sc= 0.004 USER MOD Single : A 474 THR OG1 : rot 180:sc= 0 USER MOD Single : A 475 HIS : no HD1:sc=-0.00591 X(o=-0.0059,f=0) USER MOD Single : A 479 MET CE :methyl 175:sc= -0.634 (180deg=-0.671) USER MOD Single : A 482 ASN : amide:sc= 0.119 K(o=0.12,f=-3.2!) USER MOD Single : A 483 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=0) USER MOD Single : A 484 GLN : amide:sc= -1.13! C(o=-1.1!,f=-8.9!) USER MOD Single : A 488 SER OG : rot -160:sc= 0 USER MOD Single : A 494 GLN : amide:sc= 1.13 K(o=1.1,f=-0.34) USER MOD Single : A 495 MET CE :methyl 179:sc= -0.712 (180deg=-0.716) USER MOD Single : A 496 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.05) USER MOD Single : A 497 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 503 MET CE :methyl -158:sc= 0 (180deg=-0.0243) USER MOD Single : A 506 GLN : amide:sc= -0.54 K(o=-0.54,f=-1.4) USER MOD Single : A 507 LYS NZ :NH3+ 174:sc=-0.00682 (180deg=-0.0512) USER MOD Single : A 508 CYS SG : rot 80:sc= 0.173 USER MOD Single : A 509 HIS : no HE2:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 513 MET CE :methyl 161:sc= -0.471 (180deg=-1.94) USER MOD Single : A 514 LYS NZ :NH3+ 155:sc= 1.72 (180deg=-0.226!) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= -4.12! K(o=-4.1!,f=-0.58) USER MOD Single : A 523 CYS SG : rot 161:sc= -0.506 USER MOD Single : A 524 SER OG : rot 180:sc= -0.35 USER MOD Single : A 529 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 443 2.674 8.730 -4.441 1.00 63.45 N ATOM 77 CA VAL A 443 2.007 9.113 -3.225 1.00 22.22 C ATOM 78 C VAL A 443 1.464 7.843 -2.573 1.00 31.43 C ATOM 79 O VAL A 443 1.367 6.788 -3.235 1.00 3.43 O ATOM 80 CB VAL A 443 0.837 10.107 -3.559 1.00 62.24 C ATOM 81 CG1 VAL A 443 0.174 10.661 -2.310 1.00 2.10 C ATOM 82 CG2 VAL A 443 1.334 11.251 -4.436 1.00 63.34 C ATOM 0 HA VAL A 443 2.694 9.615 -2.544 1.00 22.22 H new ATOM 0 HB VAL A 443 0.086 9.535 -4.104 1.00 62.24 H new ATOM 0 HG11 VAL A 443 -0.628 11.342 -2.595 1.00 2.10 H new ATOM 0 HG12 VAL A 443 -0.239 9.841 -1.723 1.00 2.10 H new ATOM 0 HG13 VAL A 443 0.912 11.198 -1.714 1.00 2.10 H new ATOM 0 HG21 VAL A 443 0.508 11.927 -4.655 1.00 63.34 H new ATOM 0 HG22 VAL A 443 2.120 11.796 -3.913 1.00 63.34 H new ATOM 0 HG23 VAL A 443 1.731 10.849 -5.368 1.00 63.34 H new ATOM 92 N ARG A 444 1.161 7.890 -1.301 1.00 72.44 N ATOM 93 CA ARG A 444 0.588 6.737 -0.669 1.00 51.45 C ATOM 94 C ARG A 444 -0.916 6.799 -0.829 1.00 62.12 C ATOM 95 O ARG A 444 -1.651 7.166 0.087 1.00 51.15 O ATOM 96 CB ARG A 444 1.010 6.600 0.786 1.00 21.32 C ATOM 97 CG ARG A 444 2.505 6.750 0.999 1.00 72.34 C ATOM 98 CD ARG A 444 2.933 6.244 2.354 1.00 33.50 C ATOM 99 NE ARG A 444 2.140 6.783 3.453 1.00 11.30 N ATOM 100 CZ ARG A 444 2.297 6.425 4.724 1.00 71.21 C ATOM 101 NH1 ARG A 444 3.277 5.587 5.062 1.00 54.45 N ATOM 102 NH2 ARG A 444 1.473 6.893 5.646 1.00 35.44 N ATOM 0 H ARG A 444 1.299 8.699 -0.695 1.00 72.44 H new ATOM 0 HA ARG A 444 0.965 5.838 -1.157 1.00 51.45 H new ATOM 0 HB2 ARG A 444 0.489 7.351 1.379 1.00 21.32 H new ATOM 0 HB3 ARG A 444 0.694 5.625 1.158 1.00 21.32 H new ATOM 0 HG2 ARG A 444 3.039 6.203 0.222 1.00 72.34 H new ATOM 0 HG3 ARG A 444 2.783 7.799 0.899 1.00 72.34 H new ATOM 0 HD2 ARG A 444 2.863 5.156 2.366 1.00 33.50 H new ATOM 0 HD3 ARG A 444 3.981 6.498 2.514 1.00 33.50 H new ATOM 0 HE ARG A 444 1.423 7.475 3.234 1.00 11.30 H new ATOM 0 HH11 ARG A 444 3.905 5.221 4.346 1.00 54.45 H new ATOM 0 HH12 ARG A 444 3.399 5.311 6.036 1.00 54.45 H new ATOM 0 HH21 ARG A 444 0.719 7.527 5.382 1.00 35.44 H new ATOM 0 HH22 ARG A 444 1.591 6.620 6.622 1.00 35.44 H new ATOM 116 N ASP A 445 -1.341 6.488 -2.028 1.00 1.40 N ATOM 117 CA ASP A 445 -2.737 6.656 -2.456 1.00 75.40 C ATOM 118 C ASP A 445 -3.392 5.344 -2.784 1.00 11.22 C ATOM 119 O ASP A 445 -4.516 5.305 -3.320 1.00 24.23 O ATOM 120 CB ASP A 445 -2.842 7.604 -3.686 1.00 63.41 C ATOM 121 CG ASP A 445 -2.006 7.179 -4.920 1.00 61.25 C ATOM 122 OD1 ASP A 445 -1.576 8.081 -5.700 1.00 4.13 O ATOM 123 OD2 ASP A 445 -1.775 5.963 -5.144 1.00 21.21 O ATOM 0 H ASP A 445 -0.734 6.106 -2.753 1.00 1.40 H new ATOM 0 HA ASP A 445 -3.263 7.101 -1.611 1.00 75.40 H new ATOM 0 HB2 ASP A 445 -3.889 7.674 -3.983 1.00 63.41 H new ATOM 0 HB3 ASP A 445 -2.530 8.603 -3.382 1.00 63.41 H new ATOM 128 N CYS A 446 -2.750 4.276 -2.442 1.00 62.34 N ATOM 129 CA CYS A 446 -3.267 3.014 -2.790 1.00 4.01 C ATOM 130 C CYS A 446 -3.820 2.351 -1.574 1.00 43.14 C ATOM 131 O CYS A 446 -3.403 2.619 -0.455 1.00 65.43 O ATOM 132 CB CYS A 446 -2.197 2.168 -3.433 1.00 11.12 C ATOM 133 SG CYS A 446 -1.400 2.969 -4.838 1.00 24.13 S ATOM 0 H CYS A 446 -1.871 4.261 -1.924 1.00 62.34 H new ATOM 0 HA CYS A 446 -4.071 3.138 -3.515 1.00 4.01 H new ATOM 0 HB2 CYS A 446 -1.441 1.923 -2.687 1.00 11.12 H new ATOM 0 HB3 CYS A 446 -2.637 1.227 -3.762 1.00 11.12 H new ATOM 0 HG CYS A 446 -1.681 4.238 -4.831 1.00 24.13 H new ATOM 139 N ILE A 447 -4.755 1.524 -1.776 1.00 43.31 N ATOM 140 CA ILE A 447 -5.393 0.823 -0.729 1.00 52.04 C ATOM 141 C ILE A 447 -5.220 -0.653 -1.031 1.00 23.32 C ATOM 142 O ILE A 447 -5.284 -1.041 -2.178 1.00 1.40 O ATOM 143 CB ILE A 447 -6.905 1.139 -0.700 1.00 44.20 C ATOM 144 CG1 ILE A 447 -7.179 2.545 -1.247 1.00 44.11 C ATOM 145 CG2 ILE A 447 -7.377 1.072 0.730 1.00 43.11 C ATOM 146 CD1 ILE A 447 -8.632 2.969 -1.184 1.00 75.35 C ATOM 0 H ILE A 447 -5.117 1.302 -2.703 1.00 43.31 H new ATOM 0 HA ILE A 447 -4.963 1.107 0.231 1.00 52.04 H new ATOM 0 HB ILE A 447 -7.433 0.415 -1.321 1.00 44.20 H new ATOM 0 HG12 ILE A 447 -6.579 3.263 -0.687 1.00 44.11 H new ATOM 0 HG13 ILE A 447 -6.845 2.590 -2.283 1.00 44.11 H new ATOM 0 HG21 ILE A 447 -8.444 1.292 0.772 1.00 43.11 H new ATOM 0 HG22 ILE A 447 -7.197 0.073 1.126 1.00 43.11 H new ATOM 0 HG23 ILE A 447 -6.832 1.803 1.328 1.00 43.11 H new ATOM 0 HD11 ILE A 447 -8.735 3.975 -1.591 1.00 75.35 H new ATOM 0 HD12 ILE A 447 -9.239 2.277 -1.768 1.00 75.35 H new ATOM 0 HD13 ILE A 447 -8.969 2.960 -0.147 1.00 75.35 H new ATOM 158 N ARG A 448 -4.969 -1.431 -0.040 1.00 32.03 N ATOM 159 CA ARG A 448 -4.782 -2.847 -0.190 1.00 23.34 C ATOM 160 C ARG A 448 -5.895 -3.573 0.539 1.00 1.21 C ATOM 161 O ARG A 448 -6.138 -3.324 1.723 1.00 40.45 O ATOM 162 CB ARG A 448 -3.392 -3.263 0.332 1.00 61.41 C ATOM 163 CG ARG A 448 -3.195 -4.764 0.509 1.00 14.11 C ATOM 164 CD ARG A 448 -1.789 -5.081 0.993 1.00 52.02 C ATOM 165 NE ARG A 448 -0.825 -5.286 -0.104 1.00 35.40 N ATOM 166 CZ ARG A 448 0.440 -4.814 -0.145 1.00 50.40 C ATOM 167 NH1 ARG A 448 0.829 -3.834 0.670 1.00 13.20 N ATOM 168 NH2 ARG A 448 1.294 -5.302 -1.035 1.00 14.44 N ATOM 0 H ARG A 448 -4.884 -1.104 0.922 1.00 32.03 H new ATOM 0 HA ARG A 448 -4.824 -3.118 -1.245 1.00 23.34 H new ATOM 0 HB2 ARG A 448 -2.635 -2.891 -0.358 1.00 61.41 H new ATOM 0 HB3 ARG A 448 -3.218 -2.773 1.290 1.00 61.41 H new ATOM 0 HG2 ARG A 448 -3.923 -5.147 1.224 1.00 14.11 H new ATOM 0 HG3 ARG A 448 -3.380 -5.272 -0.438 1.00 14.11 H new ATOM 0 HD2 ARG A 448 -1.439 -4.267 1.627 1.00 52.02 H new ATOM 0 HD3 ARG A 448 -1.819 -5.977 1.613 1.00 52.02 H new ATOM 0 HE ARG A 448 -1.142 -5.834 -0.904 1.00 35.40 H new ATOM 0 HH11 ARG A 448 0.169 -3.431 1.335 1.00 13.20 H new ATOM 0 HH12 ARG A 448 1.787 -3.487 0.629 1.00 13.20 H new ATOM 0 HH21 ARG A 448 0.994 -6.030 -1.684 1.00 14.44 H new ATOM 0 HH22 ARG A 448 2.250 -4.949 -1.071 1.00 14.44 H new ATOM 182 N LEU A 449 -6.573 -4.424 -0.167 1.00 53.23 N ATOM 183 CA LEU A 449 -7.685 -5.158 0.364 1.00 52.11 C ATOM 184 C LEU A 449 -7.241 -6.588 0.553 1.00 43.22 C ATOM 185 O LEU A 449 -6.434 -7.081 -0.227 1.00 15.44 O ATOM 186 CB LEU A 449 -8.813 -5.204 -0.658 1.00 22.54 C ATOM 187 CG LEU A 449 -9.074 -3.954 -1.505 1.00 61.12 C ATOM 188 CD1 LEU A 449 -10.177 -4.237 -2.497 1.00 62.21 C ATOM 189 CD2 LEU A 449 -9.440 -2.761 -0.646 1.00 2.41 C ATOM 0 H LEU A 449 -6.368 -4.633 -1.144 1.00 53.23 H new ATOM 0 HA LEU A 449 -8.017 -4.687 1.289 1.00 52.11 H new ATOM 0 HB2 LEU A 449 -8.612 -6.031 -1.339 1.00 22.54 H new ATOM 0 HB3 LEU A 449 -9.734 -5.445 -0.127 1.00 22.54 H new ATOM 0 HG LEU A 449 -8.155 -3.707 -2.036 1.00 61.12 H new ATOM 0 HD11 LEU A 449 -10.362 -3.347 -3.099 1.00 62.21 H new ATOM 0 HD12 LEU A 449 -9.879 -5.060 -3.147 1.00 62.21 H new ATOM 0 HD13 LEU A 449 -11.087 -4.509 -1.962 1.00 62.21 H new ATOM 0 HD21 LEU A 449 -9.617 -1.895 -1.283 1.00 2.41 H new ATOM 0 HD22 LEU A 449 -10.343 -2.985 -0.078 1.00 2.41 H new ATOM 0 HD23 LEU A 449 -8.623 -2.544 0.042 1.00 2.41 H new ATOM 201 N ARG A 450 -7.732 -7.237 1.562 1.00 24.34 N ATOM 202 CA ARG A 450 -7.475 -8.625 1.763 1.00 75.25 C ATOM 203 C ARG A 450 -8.623 -9.309 2.452 1.00 44.51 C ATOM 204 O ARG A 450 -9.121 -8.839 3.484 1.00 54.12 O ATOM 205 CB ARG A 450 -6.155 -8.864 2.465 1.00 32.14 C ATOM 206 CG ARG A 450 -5.828 -7.940 3.623 1.00 23.52 C ATOM 207 CD ARG A 450 -4.425 -8.213 4.137 1.00 32.03 C ATOM 208 NE ARG A 450 -3.436 -8.169 3.045 1.00 55.23 N ATOM 209 CZ ARG A 450 -2.133 -7.974 3.174 1.00 62.03 C ATOM 210 NH1 ARG A 450 -1.600 -7.685 4.344 1.00 52.41 N ATOM 211 NH2 ARG A 450 -1.370 -8.049 2.106 1.00 33.31 N ATOM 0 H ARG A 450 -8.327 -6.813 2.274 1.00 24.34 H new ATOM 0 HA ARG A 450 -7.384 -9.080 0.777 1.00 75.25 H new ATOM 0 HB2 ARG A 450 -6.145 -9.890 2.834 1.00 32.14 H new ATOM 0 HB3 ARG A 450 -5.357 -8.783 1.727 1.00 32.14 H new ATOM 0 HG2 ARG A 450 -5.909 -6.901 3.302 1.00 23.52 H new ATOM 0 HG3 ARG A 450 -6.551 -8.083 4.426 1.00 23.52 H new ATOM 0 HD2 ARG A 450 -4.164 -7.476 4.897 1.00 32.03 H new ATOM 0 HD3 ARG A 450 -4.396 -9.191 4.618 1.00 32.03 H new ATOM 0 HE ARG A 450 -3.790 -8.302 2.098 1.00 55.23 H new ATOM 0 HH11 ARG A 450 -2.194 -7.608 5.170 1.00 52.41 H new ATOM 0 HH12 ARG A 450 -0.594 -7.538 4.424 1.00 52.41 H new ATOM 0 HH21 ARG A 450 -1.784 -8.255 1.197 1.00 33.31 H new ATOM 0 HH22 ARG A 450 -0.364 -7.902 2.187 1.00 33.31 H new ATOM 225 N GLY A 451 -9.034 -10.415 1.892 1.00 11.21 N ATOM 226 CA GLY A 451 -10.166 -11.142 2.398 1.00 11.43 C ATOM 227 C GLY A 451 -11.329 -11.069 1.442 1.00 25.50 C ATOM 228 O GLY A 451 -12.485 -11.102 1.851 1.00 5.12 O ATOM 0 H GLY A 451 -8.594 -10.836 1.074 1.00 11.21 H new ATOM 0 HA2 GLY A 451 -9.890 -12.184 2.561 1.00 11.43 H new ATOM 0 HA3 GLY A 451 -10.460 -10.735 3.366 1.00 11.43 H new ATOM 232 N LEU A 452 -11.019 -10.954 0.164 1.00 43.31 N ATOM 233 CA LEU A 452 -12.035 -10.863 -0.865 1.00 20.52 C ATOM 234 C LEU A 452 -12.766 -12.193 -1.056 1.00 0.12 C ATOM 235 O LEU A 452 -12.135 -13.261 -1.090 1.00 75.41 O ATOM 236 CB LEU A 452 -11.434 -10.417 -2.199 1.00 44.21 C ATOM 237 CG LEU A 452 -10.777 -9.036 -2.231 1.00 42.32 C ATOM 238 CD1 LEU A 452 -10.227 -8.761 -3.612 1.00 74.02 C ATOM 239 CD2 LEU A 452 -11.768 -7.950 -1.826 1.00 75.15 C ATOM 0 H LEU A 452 -10.062 -10.921 -0.187 1.00 43.31 H new ATOM 0 HA LEU A 452 -12.754 -10.115 -0.530 1.00 20.52 H new ATOM 0 HB2 LEU A 452 -10.690 -11.154 -2.500 1.00 44.21 H new ATOM 0 HB3 LEU A 452 -12.223 -10.435 -2.951 1.00 44.21 H new ATOM 0 HG LEU A 452 -9.957 -9.026 -1.513 1.00 42.32 H new ATOM 0 HD11 LEU A 452 -9.760 -7.776 -3.628 1.00 74.02 H new ATOM 0 HD12 LEU A 452 -9.485 -9.518 -3.866 1.00 74.02 H new ATOM 0 HD13 LEU A 452 -11.038 -8.790 -4.339 1.00 74.02 H new ATOM 0 HD21 LEU A 452 -11.276 -6.978 -1.857 1.00 75.15 H new ATOM 0 HD22 LEU A 452 -12.612 -7.952 -2.516 1.00 75.15 H new ATOM 0 HD23 LEU A 452 -12.126 -8.143 -0.815 1.00 75.15 H new ATOM 251 N PRO A 453 -14.110 -12.144 -1.115 1.00 53.31 N ATOM 252 CA PRO A 453 -14.938 -13.302 -1.397 1.00 22.30 C ATOM 253 C PRO A 453 -14.628 -13.952 -2.726 1.00 62.34 C ATOM 254 O PRO A 453 -14.023 -13.353 -3.635 1.00 3.53 O ATOM 255 CB PRO A 453 -16.349 -12.755 -1.495 1.00 72.35 C ATOM 256 CG PRO A 453 -16.331 -11.438 -0.828 1.00 12.22 C ATOM 257 CD PRO A 453 -14.915 -10.955 -0.820 1.00 71.35 C ATOM 0 HA PRO A 453 -14.778 -14.054 -0.624 1.00 22.30 H new ATOM 0 HB2 PRO A 453 -16.657 -12.659 -2.536 1.00 72.35 H new ATOM 0 HB3 PRO A 453 -17.060 -13.425 -1.012 1.00 72.35 H new ATOM 0 HG2 PRO A 453 -16.973 -10.733 -1.355 1.00 12.22 H new ATOM 0 HG3 PRO A 453 -16.714 -11.519 0.189 1.00 12.22 H new ATOM 0 HD2 PRO A 453 -14.759 -10.177 -1.567 1.00 71.35 H new ATOM 0 HD3 PRO A 453 -14.649 -10.527 0.147 1.00 71.35 H new ATOM 265 N TYR A 454 -15.118 -15.139 -2.856 1.00 62.54 N ATOM 266 CA TYR A 454 -14.994 -15.889 -4.031 1.00 54.14 C ATOM 267 C TYR A 454 -15.978 -15.369 -5.020 1.00 4.23 C ATOM 268 O TYR A 454 -17.203 -15.540 -4.874 1.00 42.24 O ATOM 269 CB TYR A 454 -15.175 -17.390 -3.793 1.00 64.52 C ATOM 270 CG TYR A 454 -15.147 -18.210 -5.075 1.00 50.34 C ATOM 271 CD1 TYR A 454 -13.968 -18.385 -5.793 1.00 20.31 C ATOM 272 CD2 TYR A 454 -16.305 -18.795 -5.569 1.00 40.54 C ATOM 273 CE1 TYR A 454 -13.952 -19.118 -6.966 1.00 32.10 C ATOM 274 CE2 TYR A 454 -16.293 -19.527 -6.734 1.00 70.14 C ATOM 275 CZ TYR A 454 -15.118 -19.686 -7.430 1.00 63.54 C ATOM 276 OH TYR A 454 -15.112 -20.421 -8.600 1.00 44.43 O ATOM 0 H TYR A 454 -15.630 -15.617 -2.115 1.00 62.54 H new ATOM 0 HA TYR A 454 -13.981 -15.777 -4.417 1.00 54.14 H new ATOM 0 HB2 TYR A 454 -14.388 -17.743 -3.127 1.00 64.52 H new ATOM 0 HB3 TYR A 454 -16.123 -17.558 -3.283 1.00 64.52 H new ATOM 0 HD1 TYR A 454 -13.052 -17.942 -5.429 1.00 20.31 H new ATOM 0 HD2 TYR A 454 -17.232 -18.673 -5.029 1.00 40.54 H new ATOM 0 HE1 TYR A 454 -13.031 -19.244 -7.515 1.00 32.10 H new ATOM 0 HE2 TYR A 454 -17.204 -19.976 -7.101 1.00 70.14 H new ATOM 0 HH TYR A 454 -16.016 -20.752 -8.783 1.00 44.43 H new ATOM 286 N ALA A 455 -15.428 -14.591 -5.871 1.00 14.44 N ATOM 287 CA ALA A 455 -16.065 -14.020 -7.058 1.00 64.10 C ATOM 288 C ALA A 455 -16.740 -12.711 -6.744 1.00 13.14 C ATOM 289 O ALA A 455 -17.777 -12.372 -7.317 1.00 43.33 O ATOM 290 CB ALA A 455 -16.998 -15.012 -7.781 1.00 73.12 C ATOM 0 H ALA A 455 -14.455 -14.299 -5.777 1.00 14.44 H new ATOM 0 HA ALA A 455 -15.267 -13.808 -7.769 1.00 64.10 H new ATOM 0 HB1 ALA A 455 -17.439 -14.528 -8.652 1.00 73.12 H new ATOM 0 HB2 ALA A 455 -16.426 -15.883 -8.101 1.00 73.12 H new ATOM 0 HB3 ALA A 455 -17.790 -15.328 -7.102 1.00 73.12 H new ATOM 296 N ALA A 456 -16.153 -11.980 -5.803 1.00 22.51 N ATOM 297 CA ALA A 456 -16.577 -10.620 -5.525 1.00 11.14 C ATOM 298 C ALA A 456 -16.331 -9.783 -6.778 1.00 61.50 C ATOM 299 O ALA A 456 -15.187 -9.603 -7.202 1.00 42.44 O ATOM 300 CB ALA A 456 -15.801 -10.053 -4.355 1.00 21.10 C ATOM 0 H ALA A 456 -15.382 -12.310 -5.222 1.00 22.51 H new ATOM 0 HA ALA A 456 -17.635 -10.604 -5.263 1.00 11.14 H new ATOM 0 HB1 ALA A 456 -16.131 -9.033 -4.160 1.00 21.10 H new ATOM 0 HB2 ALA A 456 -15.976 -10.666 -3.471 1.00 21.10 H new ATOM 0 HB3 ALA A 456 -14.737 -10.051 -4.591 1.00 21.10 H new ATOM 306 N THR A 457 -17.386 -9.324 -7.383 1.00 62.05 N ATOM 307 CA THR A 457 -17.301 -8.639 -8.631 1.00 4.24 C ATOM 308 C THR A 457 -16.987 -7.168 -8.452 1.00 3.15 C ATOM 309 O THR A 457 -17.030 -6.637 -7.330 1.00 31.11 O ATOM 310 CB THR A 457 -18.624 -8.777 -9.395 1.00 52.30 C ATOM 311 OG1 THR A 457 -19.694 -8.251 -8.589 1.00 3.13 O ATOM 312 CG2 THR A 457 -18.899 -10.229 -9.711 1.00 14.33 C ATOM 0 H THR A 457 -18.334 -9.417 -7.019 1.00 62.05 H new ATOM 0 HA THR A 457 -16.487 -9.095 -9.195 1.00 4.24 H new ATOM 0 HB THR A 457 -18.555 -8.221 -10.330 1.00 52.30 H new ATOM 0 HG1 THR A 457 -20.541 -8.336 -9.074 1.00 3.13 H new ATOM 0 HG21 THR A 457 -19.841 -10.311 -10.253 1.00 14.33 H new ATOM 0 HG22 THR A 457 -18.091 -10.627 -10.325 1.00 14.33 H new ATOM 0 HG23 THR A 457 -18.964 -10.797 -8.783 1.00 14.33 H new ATOM 320 N ILE A 458 -16.698 -6.504 -9.560 1.00 63.23 N ATOM 321 CA ILE A 458 -16.494 -5.069 -9.557 1.00 23.42 C ATOM 322 C ILE A 458 -17.789 -4.348 -9.147 1.00 10.12 C ATOM 323 O ILE A 458 -17.763 -3.266 -8.605 1.00 21.43 O ATOM 324 CB ILE A 458 -15.996 -4.534 -10.930 1.00 52.01 C ATOM 325 CG1 ILE A 458 -16.981 -4.894 -12.065 1.00 70.25 C ATOM 326 CG2 ILE A 458 -14.593 -5.061 -11.225 1.00 50.24 C ATOM 327 CD1 ILE A 458 -16.602 -4.332 -13.423 1.00 61.52 C ATOM 0 H ILE A 458 -16.600 -6.941 -10.476 1.00 63.23 H new ATOM 0 HA ILE A 458 -15.712 -4.860 -8.827 1.00 23.42 H new ATOM 0 HB ILE A 458 -15.950 -3.446 -10.877 1.00 52.01 H new ATOM 0 HG12 ILE A 458 -17.049 -5.979 -12.140 1.00 70.25 H new ATOM 0 HG13 ILE A 458 -17.973 -4.530 -11.798 1.00 70.25 H new ATOM 0 HG21 ILE A 458 -14.256 -4.679 -12.189 1.00 50.24 H new ATOM 0 HG22 ILE A 458 -13.908 -4.730 -10.444 1.00 50.24 H new ATOM 0 HG23 ILE A 458 -14.612 -6.150 -11.253 1.00 50.24 H new ATOM 0 HD11 ILE A 458 -17.346 -4.632 -14.161 1.00 61.52 H new ATOM 0 HD12 ILE A 458 -16.563 -3.244 -13.369 1.00 61.52 H new ATOM 0 HD13 ILE A 458 -15.625 -4.716 -13.716 1.00 61.52 H new ATOM 339 N GLU A 459 -18.906 -5.004 -9.367 1.00 5.45 N ATOM 340 CA GLU A 459 -20.202 -4.479 -9.021 1.00 34.02 C ATOM 341 C GLU A 459 -20.413 -4.615 -7.532 1.00 54.14 C ATOM 342 O GLU A 459 -20.878 -3.677 -6.862 1.00 30.41 O ATOM 343 CB GLU A 459 -21.269 -5.259 -9.764 1.00 0.44 C ATOM 344 CG GLU A 459 -21.053 -5.325 -11.265 1.00 63.33 C ATOM 345 CD GLU A 459 -22.055 -6.218 -11.930 1.00 34.52 C ATOM 346 OE1 GLU A 459 -21.708 -7.379 -12.275 1.00 72.23 O ATOM 347 OE2 GLU A 459 -23.216 -5.798 -12.086 1.00 42.43 O ATOM 0 H GLU A 459 -18.937 -5.929 -9.797 1.00 5.45 H new ATOM 0 HA GLU A 459 -20.263 -3.427 -9.299 1.00 34.02 H new ATOM 0 HB2 GLU A 459 -21.305 -6.274 -9.368 1.00 0.44 H new ATOM 0 HB3 GLU A 459 -22.240 -4.805 -9.567 1.00 0.44 H new ATOM 0 HG2 GLU A 459 -21.122 -4.322 -11.687 1.00 63.33 H new ATOM 0 HG3 GLU A 459 -20.047 -5.689 -11.472 1.00 63.33 H new ATOM 354 N ASP A 460 -20.033 -5.763 -7.013 1.00 74.13 N ATOM 355 CA ASP A 460 -20.189 -6.060 -5.608 1.00 24.34 C ATOM 356 C ASP A 460 -19.230 -5.203 -4.788 1.00 51.32 C ATOM 357 O ASP A 460 -19.539 -4.790 -3.673 1.00 60.31 O ATOM 358 CB ASP A 460 -19.943 -7.547 -5.343 1.00 2.21 C ATOM 359 CG ASP A 460 -20.533 -8.002 -4.035 1.00 35.22 C ATOM 360 OD1 ASP A 460 -19.945 -7.765 -2.963 1.00 33.52 O ATOM 361 OD2 ASP A 460 -21.609 -8.592 -4.047 1.00 71.13 O ATOM 0 H ASP A 460 -19.607 -6.516 -7.554 1.00 74.13 H new ATOM 0 HA ASP A 460 -21.211 -5.827 -5.310 1.00 24.34 H new ATOM 0 HB2 ASP A 460 -20.372 -8.134 -6.155 1.00 2.21 H new ATOM 0 HB3 ASP A 460 -18.870 -7.740 -5.341 1.00 2.21 H new ATOM 366 N ILE A 461 -18.069 -4.898 -5.360 1.00 73.21 N ATOM 367 CA ILE A 461 -17.119 -4.051 -4.675 1.00 61.35 C ATOM 368 C ILE A 461 -17.590 -2.590 -4.705 1.00 71.13 C ATOM 369 O ILE A 461 -17.309 -1.836 -3.796 1.00 0.15 O ATOM 370 CB ILE A 461 -15.647 -4.200 -5.199 1.00 51.11 C ATOM 371 CG1 ILE A 461 -14.654 -3.657 -4.158 1.00 65.14 C ATOM 372 CG2 ILE A 461 -15.446 -3.477 -6.527 1.00 52.25 C ATOM 373 CD1 ILE A 461 -13.201 -3.834 -4.543 1.00 61.11 C ATOM 0 H ILE A 461 -17.773 -5.222 -6.281 1.00 73.21 H new ATOM 0 HA ILE A 461 -17.086 -4.390 -3.639 1.00 61.35 H new ATOM 0 HB ILE A 461 -15.462 -5.262 -5.360 1.00 51.11 H new ATOM 0 HG12 ILE A 461 -14.851 -2.596 -4.001 1.00 65.14 H new ATOM 0 HG13 ILE A 461 -14.831 -4.158 -3.206 1.00 65.14 H new ATOM 0 HG21 ILE A 461 -14.415 -3.603 -6.857 1.00 52.25 H new ATOM 0 HG22 ILE A 461 -16.120 -3.895 -7.275 1.00 52.25 H new ATOM 0 HG23 ILE A 461 -15.659 -2.416 -6.399 1.00 52.25 H new ATOM 0 HD11 ILE A 461 -12.564 -3.426 -3.758 1.00 61.11 H new ATOM 0 HD12 ILE A 461 -12.985 -4.895 -4.671 1.00 61.11 H new ATOM 0 HD13 ILE A 461 -13.006 -3.309 -5.478 1.00 61.11 H new ATOM 385 N LEU A 462 -18.342 -2.207 -5.747 1.00 13.02 N ATOM 386 CA LEU A 462 -18.935 -0.864 -5.798 1.00 5.22 C ATOM 387 C LEU A 462 -19.956 -0.718 -4.689 1.00 34.33 C ATOM 388 O LEU A 462 -20.115 0.356 -4.104 1.00 33.25 O ATOM 389 CB LEU A 462 -19.570 -0.541 -7.161 1.00 54.10 C ATOM 390 CG LEU A 462 -18.621 -0.392 -8.354 1.00 70.40 C ATOM 391 CD1 LEU A 462 -19.407 -0.117 -9.626 1.00 1.21 C ATOM 392 CD2 LEU A 462 -17.603 0.719 -8.110 1.00 12.54 C ATOM 0 H LEU A 462 -18.551 -2.797 -6.552 1.00 13.02 H new ATOM 0 HA LEU A 462 -18.127 -0.146 -5.657 1.00 5.22 H new ATOM 0 HB2 LEU A 462 -20.287 -1.328 -7.395 1.00 54.10 H new ATOM 0 HB3 LEU A 462 -20.135 0.386 -7.060 1.00 54.10 H new ATOM 0 HG LEU A 462 -18.078 -1.330 -8.472 1.00 70.40 H new ATOM 0 HD11 LEU A 462 -18.718 -0.014 -10.464 1.00 1.21 H new ATOM 0 HD12 LEU A 462 -20.090 -0.944 -9.818 1.00 1.21 H new ATOM 0 HD13 LEU A 462 -19.977 0.805 -9.509 1.00 1.21 H new ATOM 0 HD21 LEU A 462 -16.942 0.803 -8.973 1.00 12.54 H new ATOM 0 HD22 LEU A 462 -18.125 1.664 -7.959 1.00 12.54 H new ATOM 0 HD23 LEU A 462 -17.014 0.485 -7.223 1.00 12.54 H new ATOM 404 N ASP A 463 -20.658 -1.806 -4.418 1.00 60.43 N ATOM 405 CA ASP A 463 -21.561 -1.882 -3.256 1.00 53.30 C ATOM 406 C ASP A 463 -20.768 -1.600 -1.992 1.00 41.34 C ATOM 407 O ASP A 463 -21.036 -0.635 -1.261 1.00 35.13 O ATOM 408 CB ASP A 463 -22.166 -3.287 -3.161 1.00 33.45 C ATOM 409 CG ASP A 463 -22.991 -3.530 -1.901 1.00 14.41 C ATOM 410 OD1 ASP A 463 -24.116 -3.025 -1.802 1.00 2.14 O ATOM 411 OD2 ASP A 463 -22.524 -4.264 -0.987 1.00 63.21 O ATOM 0 H ASP A 463 -20.627 -2.656 -4.981 1.00 60.43 H new ATOM 0 HA ASP A 463 -22.360 -1.149 -3.370 1.00 53.30 H new ATOM 0 HB2 ASP A 463 -22.797 -3.458 -4.033 1.00 33.45 H new ATOM 0 HB3 ASP A 463 -21.361 -4.020 -3.201 1.00 33.45 H new ATOM 416 N PHE A 464 -19.740 -2.399 -1.830 1.00 64.12 N ATOM 417 CA PHE A 464 -18.810 -2.360 -0.688 1.00 52.10 C ATOM 418 C PHE A 464 -18.223 -0.953 -0.476 1.00 4.10 C ATOM 419 O PHE A 464 -18.091 -0.480 0.661 1.00 32.24 O ATOM 420 CB PHE A 464 -17.690 -3.388 -0.945 1.00 55.43 C ATOM 421 CG PHE A 464 -16.582 -3.440 0.077 1.00 54.11 C ATOM 422 CD1 PHE A 464 -16.732 -4.155 1.248 1.00 71.25 C ATOM 423 CD2 PHE A 464 -15.374 -2.795 -0.160 1.00 64.31 C ATOM 424 CE1 PHE A 464 -15.707 -4.229 2.167 1.00 32.00 C ATOM 425 CE2 PHE A 464 -14.349 -2.860 0.759 1.00 12.33 C ATOM 426 CZ PHE A 464 -14.516 -3.580 1.923 1.00 34.51 C ATOM 0 H PHE A 464 -19.506 -3.126 -2.506 1.00 64.12 H new ATOM 0 HA PHE A 464 -19.351 -2.611 0.225 1.00 52.10 H new ATOM 0 HB2 PHE A 464 -18.142 -4.378 -1.009 1.00 55.43 H new ATOM 0 HB3 PHE A 464 -17.248 -3.176 -1.918 1.00 55.43 H new ATOM 0 HD1 PHE A 464 -17.664 -4.663 1.447 1.00 71.25 H new ATOM 0 HD2 PHE A 464 -15.237 -2.237 -1.074 1.00 64.31 H new ATOM 0 HE1 PHE A 464 -15.837 -4.795 3.077 1.00 32.00 H new ATOM 0 HE2 PHE A 464 -13.417 -2.348 0.568 1.00 12.33 H new ATOM 0 HZ PHE A 464 -13.713 -3.635 2.644 1.00 34.51 H new ATOM 436 N LEU A 465 -17.897 -0.301 -1.571 1.00 21.14 N ATOM 437 CA LEU A 465 -17.319 1.026 -1.546 1.00 51.12 C ATOM 438 C LEU A 465 -18.332 2.088 -1.180 1.00 5.01 C ATOM 439 O LEU A 465 -18.012 3.032 -0.442 1.00 1.52 O ATOM 440 CB LEU A 465 -16.691 1.381 -2.897 1.00 61.44 C ATOM 441 CG LEU A 465 -15.427 0.611 -3.304 1.00 13.31 C ATOM 442 CD1 LEU A 465 -14.965 1.044 -4.687 1.00 60.12 C ATOM 443 CD2 LEU A 465 -14.311 0.815 -2.285 1.00 64.55 C ATOM 0 H LEU A 465 -18.026 -0.679 -2.510 1.00 21.14 H new ATOM 0 HA LEU A 465 -16.548 1.006 -0.776 1.00 51.12 H new ATOM 0 HB2 LEU A 465 -17.444 1.229 -3.670 1.00 61.44 H new ATOM 0 HB3 LEU A 465 -16.452 2.444 -2.890 1.00 61.44 H new ATOM 0 HG LEU A 465 -15.672 -0.451 -3.332 1.00 13.31 H new ATOM 0 HD11 LEU A 465 -14.068 0.489 -4.961 1.00 60.12 H new ATOM 0 HD12 LEU A 465 -15.752 0.843 -5.413 1.00 60.12 H new ATOM 0 HD13 LEU A 465 -14.743 2.111 -4.679 1.00 60.12 H new ATOM 0 HD21 LEU A 465 -13.427 0.259 -2.597 1.00 64.55 H new ATOM 0 HD22 LEU A 465 -14.068 1.875 -2.219 1.00 64.55 H new ATOM 0 HD23 LEU A 465 -14.639 0.457 -1.309 1.00 64.55 H new ATOM 455 N GLY A 466 -19.554 1.934 -1.648 1.00 14.42 N ATOM 456 CA GLY A 466 -20.543 2.959 -1.419 1.00 2.12 C ATOM 457 C GLY A 466 -20.187 4.248 -2.098 1.00 72.54 C ATOM 458 O GLY A 466 -19.695 4.267 -3.234 1.00 13.01 O ATOM 0 H GLY A 466 -19.879 1.125 -2.178 1.00 14.42 H new ATOM 0 HA2 GLY A 466 -21.512 2.615 -1.781 1.00 2.12 H new ATOM 0 HA3 GLY A 466 -20.645 3.130 -0.347 1.00 2.12 H new ATOM 462 N GLU A 467 -20.389 5.300 -1.372 1.00 61.22 N ATOM 463 CA GLU A 467 -20.099 6.681 -1.799 1.00 71.34 C ATOM 464 C GLU A 467 -18.625 6.873 -2.198 1.00 22.13 C ATOM 465 O GLU A 467 -18.289 7.770 -2.973 1.00 72.04 O ATOM 466 CB GLU A 467 -20.455 7.665 -0.684 1.00 61.53 C ATOM 467 CG GLU A 467 -21.917 7.632 -0.280 1.00 73.34 C ATOM 468 CD GLU A 467 -22.260 8.661 0.764 1.00 13.30 C ATOM 469 OE1 GLU A 467 -22.371 9.857 0.408 1.00 43.55 O ATOM 470 OE2 GLU A 467 -22.449 8.303 1.944 1.00 73.43 O ATOM 0 H GLU A 467 -20.773 5.247 -0.429 1.00 61.22 H new ATOM 0 HA GLU A 467 -20.711 6.876 -2.679 1.00 71.34 H new ATOM 0 HB2 GLU A 467 -19.841 7.446 0.190 1.00 61.53 H new ATOM 0 HB3 GLU A 467 -20.200 8.674 -1.008 1.00 61.53 H new ATOM 0 HG2 GLU A 467 -22.536 7.796 -1.162 1.00 73.34 H new ATOM 0 HG3 GLU A 467 -22.161 6.640 0.101 1.00 73.34 H new ATOM 477 N PHE A 468 -17.763 5.995 -1.705 1.00 21.23 N ATOM 478 CA PHE A 468 -16.336 6.064 -1.972 1.00 51.23 C ATOM 479 C PHE A 468 -16.000 5.737 -3.426 1.00 45.03 C ATOM 480 O PHE A 468 -14.882 5.973 -3.879 1.00 65.41 O ATOM 481 CB PHE A 468 -15.547 5.180 -1.000 1.00 62.11 C ATOM 482 CG PHE A 468 -15.554 5.698 0.414 1.00 20.21 C ATOM 483 CD1 PHE A 468 -16.621 5.446 1.260 1.00 51.31 C ATOM 484 CD2 PHE A 468 -14.489 6.443 0.890 1.00 20.10 C ATOM 485 CE1 PHE A 468 -16.628 5.930 2.551 1.00 40.25 C ATOM 486 CE2 PHE A 468 -14.488 6.927 2.180 1.00 51.41 C ATOM 487 CZ PHE A 468 -15.560 6.671 3.013 1.00 71.22 C ATOM 0 H PHE A 468 -18.035 5.214 -1.108 1.00 21.23 H new ATOM 0 HA PHE A 468 -16.031 7.097 -1.807 1.00 51.23 H new ATOM 0 HB2 PHE A 468 -15.965 4.174 -1.013 1.00 62.11 H new ATOM 0 HB3 PHE A 468 -14.516 5.101 -1.346 1.00 62.11 H new ATOM 0 HD1 PHE A 468 -17.458 4.863 0.904 1.00 51.31 H new ATOM 0 HD2 PHE A 468 -13.649 6.647 0.243 1.00 20.10 H new ATOM 0 HE1 PHE A 468 -17.468 5.729 3.199 1.00 40.25 H new ATOM 0 HE2 PHE A 468 -13.650 7.506 2.540 1.00 51.41 H new ATOM 0 HZ PHE A 468 -15.562 7.050 4.024 1.00 71.22 H new ATOM 497 N ALA A 469 -16.989 5.243 -4.170 1.00 23.13 N ATOM 498 CA ALA A 469 -16.824 4.942 -5.587 1.00 24.40 C ATOM 499 C ALA A 469 -16.587 6.226 -6.397 1.00 73.23 C ATOM 500 O ALA A 469 -16.162 6.186 -7.544 1.00 73.23 O ATOM 501 CB ALA A 469 -18.039 4.193 -6.120 1.00 34.31 C ATOM 0 H ALA A 469 -17.921 5.042 -3.808 1.00 23.13 H new ATOM 0 HA ALA A 469 -15.947 4.304 -5.697 1.00 24.40 H new ATOM 0 HB1 ALA A 469 -17.898 3.977 -7.179 1.00 34.31 H new ATOM 0 HB2 ALA A 469 -18.160 3.258 -5.572 1.00 34.31 H new ATOM 0 HB3 ALA A 469 -18.930 4.807 -5.991 1.00 34.31 H new ATOM 507 N THR A 470 -16.872 7.354 -5.794 1.00 64.21 N ATOM 508 CA THR A 470 -16.696 8.620 -6.427 1.00 23.31 C ATOM 509 C THR A 470 -15.253 9.154 -6.213 1.00 52.22 C ATOM 510 O THR A 470 -14.796 10.057 -6.919 1.00 34.43 O ATOM 511 CB THR A 470 -17.742 9.607 -5.868 1.00 12.34 C ATOM 512 OG1 THR A 470 -19.033 8.964 -5.889 1.00 22.22 O ATOM 513 CG2 THR A 470 -17.816 10.880 -6.705 1.00 51.01 C ATOM 0 H THR A 470 -17.235 7.410 -4.842 1.00 64.21 H new ATOM 0 HA THR A 470 -16.841 8.511 -7.502 1.00 23.31 H new ATOM 0 HB THR A 470 -17.451 9.882 -4.854 1.00 12.34 H new ATOM 0 HG1 THR A 470 -19.164 8.466 -5.055 1.00 22.22 H new ATOM 0 HG21 THR A 470 -18.563 11.551 -6.281 1.00 51.01 H new ATOM 0 HG22 THR A 470 -16.844 11.373 -6.705 1.00 51.01 H new ATOM 0 HG23 THR A 470 -18.094 10.627 -7.728 1.00 51.01 H new ATOM 521 N ASP A 471 -14.530 8.567 -5.276 1.00 23.51 N ATOM 522 CA ASP A 471 -13.196 9.047 -4.943 1.00 20.12 C ATOM 523 C ASP A 471 -12.085 8.090 -5.347 1.00 52.40 C ATOM 524 O ASP A 471 -10.919 8.305 -5.021 1.00 52.42 O ATOM 525 CB ASP A 471 -13.079 9.456 -3.468 1.00 55.21 C ATOM 526 CG ASP A 471 -13.619 10.848 -3.191 1.00 64.44 C ATOM 527 OD1 ASP A 471 -12.806 11.802 -3.069 1.00 4.44 O ATOM 528 OD2 ASP A 471 -14.840 11.027 -3.103 1.00 52.45 O ATOM 0 H ASP A 471 -14.840 7.761 -4.733 1.00 23.51 H new ATOM 0 HA ASP A 471 -13.054 9.943 -5.547 1.00 20.12 H new ATOM 0 HB2 ASP A 471 -13.618 8.735 -2.853 1.00 55.21 H new ATOM 0 HB3 ASP A 471 -12.032 9.412 -3.167 1.00 55.21 H new ATOM 533 N ILE A 472 -12.442 7.052 -6.045 1.00 44.25 N ATOM 534 CA ILE A 472 -11.509 6.101 -6.579 1.00 70.23 C ATOM 535 C ILE A 472 -11.100 6.557 -7.990 1.00 74.31 C ATOM 536 O ILE A 472 -11.883 7.259 -8.661 1.00 41.52 O ATOM 537 CB ILE A 472 -12.155 4.676 -6.645 1.00 53.11 C ATOM 538 CG1 ILE A 472 -11.158 3.648 -7.161 1.00 44.14 C ATOM 539 CG2 ILE A 472 -13.420 4.674 -7.502 1.00 3.13 C ATOM 540 CD1 ILE A 472 -11.718 2.253 -7.297 1.00 74.33 C ATOM 0 H ILE A 472 -13.415 6.837 -6.265 1.00 44.25 H new ATOM 0 HA ILE A 472 -10.633 6.047 -5.933 1.00 70.23 H new ATOM 0 HB ILE A 472 -12.439 4.400 -5.629 1.00 53.11 H new ATOM 0 HG12 ILE A 472 -10.788 3.974 -8.133 1.00 44.14 H new ATOM 0 HG13 ILE A 472 -10.302 3.619 -6.487 1.00 44.14 H new ATOM 0 HG21 ILE A 472 -13.842 3.669 -7.526 1.00 3.13 H new ATOM 0 HG22 ILE A 472 -14.149 5.364 -7.076 1.00 3.13 H new ATOM 0 HG23 ILE A 472 -13.173 4.988 -8.516 1.00 3.13 H new ATOM 0 HD11 ILE A 472 -10.942 1.584 -7.670 1.00 74.33 H new ATOM 0 HD12 ILE A 472 -12.062 1.903 -6.324 1.00 74.33 H new ATOM 0 HD13 ILE A 472 -12.555 2.263 -7.995 1.00 74.33 H new ATOM 552 N ARG A 473 -9.898 6.212 -8.426 1.00 42.21 N ATOM 553 CA ARG A 473 -9.473 6.542 -9.769 1.00 42.24 C ATOM 554 C ARG A 473 -10.095 5.552 -10.746 1.00 44.42 C ATOM 555 O ARG A 473 -10.318 4.390 -10.389 1.00 41.03 O ATOM 556 CB ARG A 473 -7.938 6.566 -9.889 1.00 63.35 C ATOM 557 CG ARG A 473 -7.281 7.665 -9.064 1.00 5.32 C ATOM 558 CD ARG A 473 -5.759 7.670 -9.198 1.00 14.21 C ATOM 559 NE ARG A 473 -5.161 8.734 -8.371 1.00 14.14 N ATOM 560 CZ ARG A 473 -4.005 8.642 -7.688 1.00 11.04 C ATOM 561 NH1 ARG A 473 -3.144 7.688 -7.947 1.00 32.21 N ATOM 562 NH2 ARG A 473 -3.683 9.554 -6.786 1.00 41.34 N ATOM 0 H ARG A 473 -9.207 5.707 -7.871 1.00 42.21 H new ATOM 0 HA ARG A 473 -9.817 7.547 -10.013 1.00 42.24 H new ATOM 0 HB2 ARG A 473 -7.542 5.600 -9.574 1.00 63.35 H new ATOM 0 HB3 ARG A 473 -7.665 6.697 -10.936 1.00 63.35 H new ATOM 0 HG2 ARG A 473 -7.673 8.633 -9.377 1.00 5.32 H new ATOM 0 HG3 ARG A 473 -7.549 7.537 -8.015 1.00 5.32 H new ATOM 0 HD2 ARG A 473 -5.360 6.702 -8.896 1.00 14.21 H new ATOM 0 HD3 ARG A 473 -5.482 7.817 -10.242 1.00 14.21 H new ATOM 0 HE ARG A 473 -5.668 9.617 -8.311 1.00 14.14 H new ATOM 0 HH11 ARG A 473 -3.346 7.002 -8.675 1.00 32.21 H new ATOM 0 HH12 ARG A 473 -2.272 7.631 -7.421 1.00 32.21 H new ATOM 0 HH21 ARG A 473 -4.313 10.335 -6.603 1.00 41.34 H new ATOM 0 HH22 ARG A 473 -2.805 9.476 -6.273 1.00 41.34 H new ATOM 576 N THR A 474 -10.372 6.022 -11.950 1.00 14.42 N ATOM 577 CA THR A 474 -11.050 5.261 -12.996 1.00 21.21 C ATOM 578 C THR A 474 -10.401 3.884 -13.249 1.00 60.43 C ATOM 579 O THR A 474 -9.268 3.800 -13.742 1.00 13.14 O ATOM 580 CB THR A 474 -11.063 6.081 -14.304 1.00 64.34 C ATOM 581 OG1 THR A 474 -11.604 7.388 -14.033 1.00 32.10 O ATOM 582 CG2 THR A 474 -11.908 5.398 -15.376 1.00 4.22 C ATOM 0 H THR A 474 -10.127 6.969 -12.239 1.00 14.42 H new ATOM 0 HA THR A 474 -12.068 5.075 -12.653 1.00 21.21 H new ATOM 0 HB THR A 474 -10.041 6.160 -14.674 1.00 64.34 H new ATOM 0 HG1 THR A 474 -11.614 7.916 -14.859 1.00 32.10 H new ATOM 0 HG21 THR A 474 -11.898 5.999 -16.285 1.00 4.22 H new ATOM 0 HG22 THR A 474 -11.497 4.411 -15.589 1.00 4.22 H new ATOM 0 HG23 THR A 474 -12.933 5.295 -15.020 1.00 4.22 H new ATOM 590 N HIS A 475 -11.124 2.824 -12.854 1.00 64.15 N ATOM 591 CA HIS A 475 -10.714 1.421 -13.033 1.00 22.02 C ATOM 592 C HIS A 475 -9.458 1.123 -12.235 1.00 31.11 C ATOM 593 O HIS A 475 -8.690 0.209 -12.556 1.00 41.40 O ATOM 594 CB HIS A 475 -10.535 1.051 -14.525 1.00 13.42 C ATOM 595 CG HIS A 475 -11.791 1.171 -15.342 1.00 53.14 C ATOM 596 ND1 HIS A 475 -11.815 1.525 -16.671 1.00 71.41 N ATOM 597 CD2 HIS A 475 -13.086 0.964 -14.992 1.00 45.30 C ATOM 598 CE1 HIS A 475 -13.080 1.531 -17.080 1.00 32.34 C ATOM 599 NE2 HIS A 475 -13.901 1.196 -16.094 1.00 73.42 N ATOM 0 H HIS A 475 -12.028 2.920 -12.392 1.00 64.15 H new ATOM 0 HA HIS A 475 -11.519 0.794 -12.649 1.00 22.02 H new ATOM 0 HB2 HIS A 475 -9.769 1.695 -14.959 1.00 13.42 H new ATOM 0 HB3 HIS A 475 -10.167 0.027 -14.593 1.00 13.42 H new ATOM 0 HD2 HIS A 475 -13.429 0.666 -14.012 1.00 45.30 H new ATOM 0 HE1 HIS A 475 -13.397 1.776 -18.083 1.00 32.34 H new ATOM 0 HE2 HIS A 475 -14.918 1.124 -16.135 1.00 73.42 H new ATOM 607 N GLY A 476 -9.303 1.852 -11.148 1.00 41.32 N ATOM 608 CA GLY A 476 -8.168 1.716 -10.289 1.00 42.20 C ATOM 609 C GLY A 476 -8.293 0.573 -9.300 1.00 4.43 C ATOM 610 O GLY A 476 -7.629 0.571 -8.277 1.00 13.20 O ATOM 0 H GLY A 476 -9.973 2.558 -10.843 1.00 41.32 H new ATOM 0 HA2 GLY A 476 -7.277 1.563 -10.898 1.00 42.20 H new ATOM 0 HA3 GLY A 476 -8.023 2.647 -9.740 1.00 42.20 H new ATOM 614 N VAL A 477 -9.153 -0.376 -9.588 1.00 23.31 N ATOM 615 CA VAL A 477 -9.272 -1.555 -8.768 1.00 40.21 C ATOM 616 C VAL A 477 -8.357 -2.598 -9.372 1.00 64.42 C ATOM 617 O VAL A 477 -8.640 -3.140 -10.438 1.00 30.01 O ATOM 618 CB VAL A 477 -10.718 -2.130 -8.727 1.00 53.55 C ATOM 619 CG1 VAL A 477 -10.810 -3.292 -7.744 1.00 62.12 C ATOM 620 CG2 VAL A 477 -11.735 -1.063 -8.379 1.00 31.51 C ATOM 0 H VAL A 477 -9.783 -0.352 -10.390 1.00 23.31 H new ATOM 0 HA VAL A 477 -9.009 -1.293 -7.743 1.00 40.21 H new ATOM 0 HB VAL A 477 -10.950 -2.497 -9.727 1.00 53.55 H new ATOM 0 HG11 VAL A 477 -11.829 -3.678 -7.732 1.00 62.12 H new ATOM 0 HG12 VAL A 477 -10.126 -4.083 -8.051 1.00 62.12 H new ATOM 0 HG13 VAL A 477 -10.541 -2.946 -6.746 1.00 62.12 H new ATOM 0 HG21 VAL A 477 -12.732 -1.503 -8.360 1.00 31.51 H new ATOM 0 HG22 VAL A 477 -11.504 -0.646 -7.399 1.00 31.51 H new ATOM 0 HG23 VAL A 477 -11.702 -0.271 -9.127 1.00 31.51 H new ATOM 630 N HIS A 478 -7.269 -2.842 -8.739 1.00 61.12 N ATOM 631 CA HIS A 478 -6.292 -3.767 -9.244 1.00 42.12 C ATOM 632 C HIS A 478 -6.204 -4.943 -8.319 1.00 31.32 C ATOM 633 O HIS A 478 -5.510 -4.899 -7.317 1.00 15.34 O ATOM 634 CB HIS A 478 -4.914 -3.099 -9.385 1.00 64.24 C ATOM 635 CG HIS A 478 -4.862 -1.957 -10.373 1.00 12.31 C ATOM 636 ND1 HIS A 478 -4.377 -2.059 -11.653 1.00 11.10 N ATOM 637 CD2 HIS A 478 -5.239 -0.661 -10.228 1.00 4.40 C ATOM 638 CE1 HIS A 478 -4.470 -0.864 -12.232 1.00 65.12 C ATOM 639 NE2 HIS A 478 -4.989 0.028 -11.407 1.00 74.44 N ATOM 0 H HIS A 478 -7.019 -2.409 -7.850 1.00 61.12 H new ATOM 0 HA HIS A 478 -6.603 -4.099 -10.235 1.00 42.12 H new ATOM 0 HB2 HIS A 478 -4.603 -2.730 -8.408 1.00 64.24 H new ATOM 0 HB3 HIS A 478 -4.188 -3.855 -9.686 1.00 64.24 H new ATOM 0 HD2 HIS A 478 -5.667 -0.232 -9.334 1.00 4.40 H new ATOM 0 HE1 HIS A 478 -4.161 -0.651 -13.245 1.00 65.12 H new ATOM 0 HE2 HIS A 478 -5.168 1.014 -11.596 1.00 74.44 H new ATOM 647 N MET A 479 -6.947 -5.962 -8.607 1.00 44.32 N ATOM 648 CA MET A 479 -6.943 -7.128 -7.770 1.00 63.22 C ATOM 649 C MET A 479 -5.796 -8.023 -8.144 1.00 23.33 C ATOM 650 O MET A 479 -5.437 -8.125 -9.324 1.00 0.15 O ATOM 651 CB MET A 479 -8.285 -7.906 -7.822 1.00 44.12 C ATOM 652 CG MET A 479 -8.666 -8.486 -9.190 1.00 14.20 C ATOM 653 SD MET A 479 -9.054 -7.236 -10.442 1.00 64.33 S ATOM 654 CE MET A 479 -10.555 -6.516 -9.766 1.00 12.14 C ATOM 0 H MET A 479 -7.567 -6.015 -9.415 1.00 44.32 H new ATOM 0 HA MET A 479 -6.820 -6.790 -6.741 1.00 63.22 H new ATOM 0 HB2 MET A 479 -8.238 -8.723 -7.102 1.00 44.12 H new ATOM 0 HB3 MET A 479 -9.083 -7.239 -7.496 1.00 44.12 H new ATOM 0 HG2 MET A 479 -7.845 -9.104 -9.552 1.00 14.20 H new ATOM 0 HG3 MET A 479 -9.528 -9.141 -9.067 1.00 14.20 H new ATOM 0 HE1 MET A 479 -10.863 -5.672 -10.382 1.00 12.14 H new ATOM 0 HE2 MET A 479 -11.346 -7.266 -9.756 1.00 12.14 H new ATOM 0 HE3 MET A 479 -10.368 -6.173 -8.748 1.00 12.14 H new ATOM 664 N VAL A 480 -5.194 -8.635 -7.157 1.00 40.15 N ATOM 665 CA VAL A 480 -4.132 -9.570 -7.404 1.00 74.10 C ATOM 666 C VAL A 480 -4.784 -10.847 -7.881 1.00 61.20 C ATOM 667 O VAL A 480 -5.714 -11.351 -7.237 1.00 0.04 O ATOM 668 CB VAL A 480 -3.280 -9.843 -6.126 1.00 2.31 C ATOM 669 CG1 VAL A 480 -2.150 -10.830 -6.416 1.00 31.35 C ATOM 670 CG2 VAL A 480 -2.712 -8.544 -5.565 1.00 41.15 C ATOM 0 H VAL A 480 -5.424 -8.501 -6.172 1.00 40.15 H new ATOM 0 HA VAL A 480 -3.445 -9.164 -8.147 1.00 74.10 H new ATOM 0 HB VAL A 480 -3.939 -10.287 -5.380 1.00 2.31 H new ATOM 0 HG11 VAL A 480 -1.574 -11.001 -5.507 1.00 31.35 H new ATOM 0 HG12 VAL A 480 -2.571 -11.774 -6.761 1.00 31.35 H new ATOM 0 HG13 VAL A 480 -1.498 -10.420 -7.187 1.00 31.35 H new ATOM 0 HG21 VAL A 480 -2.122 -8.760 -4.674 1.00 41.15 H new ATOM 0 HG22 VAL A 480 -2.078 -8.070 -6.315 1.00 41.15 H new ATOM 0 HG23 VAL A 480 -3.530 -7.872 -5.304 1.00 41.15 H new ATOM 680 N LEU A 481 -4.374 -11.313 -9.021 1.00 4.41 N ATOM 681 CA LEU A 481 -4.944 -12.499 -9.590 1.00 3.25 C ATOM 682 C LEU A 481 -4.020 -13.668 -9.376 1.00 21.54 C ATOM 683 O LEU A 481 -2.804 -13.504 -9.235 1.00 63.03 O ATOM 684 CB LEU A 481 -5.184 -12.330 -11.095 1.00 24.45 C ATOM 685 CG LEU A 481 -6.113 -11.193 -11.534 1.00 70.33 C ATOM 686 CD1 LEU A 481 -6.156 -11.110 -13.049 1.00 10.54 C ATOM 687 CD2 LEU A 481 -7.515 -11.405 -10.990 1.00 50.45 C ATOM 0 H LEU A 481 -3.638 -10.885 -9.582 1.00 4.41 H new ATOM 0 HA LEU A 481 -5.899 -12.679 -9.096 1.00 3.25 H new ATOM 0 HB2 LEU A 481 -4.217 -12.181 -11.576 1.00 24.45 H new ATOM 0 HB3 LEU A 481 -5.591 -13.266 -11.479 1.00 24.45 H new ATOM 0 HG LEU A 481 -5.722 -10.257 -11.134 1.00 70.33 H new ATOM 0 HD11 LEU A 481 -6.819 -10.299 -13.350 1.00 10.54 H new ATOM 0 HD12 LEU A 481 -5.153 -10.920 -13.432 1.00 10.54 H new ATOM 0 HD13 LEU A 481 -6.527 -12.051 -13.455 1.00 10.54 H new ATOM 0 HD21 LEU A 481 -8.158 -10.587 -11.313 1.00 50.45 H new ATOM 0 HD22 LEU A 481 -7.912 -12.348 -11.365 1.00 50.45 H new ATOM 0 HD23 LEU A 481 -7.482 -11.432 -9.901 1.00 50.45 H new ATOM 699 N ASN A 482 -4.598 -14.823 -9.371 1.00 71.33 N ATOM 700 CA ASN A 482 -3.880 -16.065 -9.255 1.00 41.33 C ATOM 701 C ASN A 482 -3.687 -16.565 -10.677 1.00 43.15 C ATOM 702 O ASN A 482 -4.287 -16.002 -11.591 1.00 31.53 O ATOM 703 CB ASN A 482 -4.710 -17.062 -8.392 1.00 41.41 C ATOM 704 CG ASN A 482 -4.070 -18.441 -8.220 1.00 63.12 C ATOM 705 OD1 ASN A 482 -2.847 -18.592 -8.259 1.00 22.21 O ATOM 706 ND2 ASN A 482 -4.883 -19.448 -8.039 1.00 12.52 N ATOM 0 H ASN A 482 -5.608 -14.941 -9.449 1.00 71.33 H new ATOM 0 HA ASN A 482 -2.915 -15.952 -8.761 1.00 41.33 H new ATOM 0 HB2 ASN A 482 -4.869 -16.624 -7.407 1.00 41.41 H new ATOM 0 HB3 ASN A 482 -5.692 -17.186 -8.848 1.00 41.41 H new ATOM 0 HD21 ASN A 482 -4.510 -20.391 -7.925 1.00 12.52 H new ATOM 0 HD22 ASN A 482 -5.891 -19.291 -8.011 1.00 12.52 H new ATOM 713 N HIS A 483 -2.915 -17.614 -10.880 1.00 11.42 N ATOM 714 CA HIS A 483 -2.631 -18.130 -12.234 1.00 41.35 C ATOM 715 C HIS A 483 -3.874 -18.696 -12.956 1.00 35.11 C ATOM 716 O HIS A 483 -3.808 -19.077 -14.117 1.00 21.30 O ATOM 717 CB HIS A 483 -1.479 -19.147 -12.227 1.00 63.04 C ATOM 718 CG HIS A 483 -0.122 -18.553 -11.928 1.00 65.51 C ATOM 719 ND1 HIS A 483 1.010 -19.303 -11.699 1.00 60.01 N ATOM 720 CD2 HIS A 483 0.277 -17.253 -11.858 1.00 53.45 C ATOM 721 CE1 HIS A 483 2.032 -18.472 -11.500 1.00 21.33 C ATOM 722 NE2 HIS A 483 1.647 -17.207 -11.588 1.00 41.20 N ATOM 0 H HIS A 483 -2.464 -18.138 -10.130 1.00 11.42 H new ATOM 0 HA HIS A 483 -2.315 -17.263 -12.814 1.00 41.35 H new ATOM 0 HB2 HIS A 483 -1.696 -19.918 -11.487 1.00 63.04 H new ATOM 0 HB3 HIS A 483 -1.440 -19.640 -13.198 1.00 63.04 H new ATOM 0 HD2 HIS A 483 -0.364 -16.394 -11.990 1.00 53.45 H new ATOM 0 HE1 HIS A 483 3.044 -18.788 -11.294 1.00 21.33 H new ATOM 0 HE2 HIS A 483 2.228 -16.376 -11.481 1.00 41.20 H new ATOM 730 N GLN A 484 -4.996 -18.749 -12.251 1.00 70.23 N ATOM 731 CA GLN A 484 -6.262 -19.160 -12.822 1.00 35.54 C ATOM 732 C GLN A 484 -7.030 -17.904 -13.324 1.00 64.24 C ATOM 733 O GLN A 484 -8.134 -17.987 -13.865 1.00 52.23 O ATOM 734 CB GLN A 484 -7.085 -19.929 -11.770 1.00 20.44 C ATOM 735 CG GLN A 484 -8.391 -20.526 -12.286 1.00 31.42 C ATOM 736 CD GLN A 484 -9.155 -21.276 -11.221 1.00 63.54 C ATOM 737 OE1 GLN A 484 -9.979 -20.709 -10.509 1.00 22.11 O ATOM 738 NE2 GLN A 484 -8.905 -22.542 -11.108 1.00 2.33 N ATOM 0 H GLN A 484 -5.049 -18.506 -11.262 1.00 70.23 H new ATOM 0 HA GLN A 484 -6.090 -19.825 -13.668 1.00 35.54 H new ATOM 0 HB2 GLN A 484 -6.470 -20.733 -11.366 1.00 20.44 H new ATOM 0 HB3 GLN A 484 -7.312 -19.255 -10.944 1.00 20.44 H new ATOM 0 HG2 GLN A 484 -9.018 -19.727 -12.682 1.00 31.42 H new ATOM 0 HG3 GLN A 484 -8.174 -21.201 -13.114 1.00 31.42 H new ATOM 0 HE21 GLN A 484 -8.214 -22.982 -11.716 1.00 2.33 H new ATOM 0 HE22 GLN A 484 -9.399 -23.099 -10.411 1.00 2.33 H new ATOM 747 N GLY A 485 -6.423 -16.743 -13.124 1.00 63.13 N ATOM 748 CA GLY A 485 -7.003 -15.488 -13.544 1.00 21.32 C ATOM 749 C GLY A 485 -8.166 -15.061 -12.679 1.00 61.34 C ATOM 750 O GLY A 485 -9.092 -14.388 -13.147 1.00 65.14 O ATOM 0 H GLY A 485 -5.516 -16.651 -12.666 1.00 63.13 H new ATOM 0 HA2 GLY A 485 -6.236 -14.713 -13.522 1.00 21.32 H new ATOM 0 HA3 GLY A 485 -7.338 -15.576 -14.578 1.00 21.32 H new ATOM 754 N ARG A 486 -8.111 -15.440 -11.430 1.00 5.33 N ATOM 755 CA ARG A 486 -9.125 -15.102 -10.454 1.00 34.21 C ATOM 756 C ARG A 486 -8.437 -14.489 -9.266 1.00 71.44 C ATOM 757 O ARG A 486 -7.283 -14.823 -9.020 1.00 31.45 O ATOM 758 CB ARG A 486 -9.942 -16.339 -10.042 1.00 64.13 C ATOM 759 CG ARG A 486 -10.915 -16.829 -11.106 1.00 4.10 C ATOM 760 CD ARG A 486 -11.688 -18.041 -10.621 1.00 34.44 C ATOM 761 NE ARG A 486 -12.773 -18.423 -11.539 1.00 31.23 N ATOM 762 CZ ARG A 486 -13.335 -19.639 -11.592 1.00 4.43 C ATOM 763 NH1 ARG A 486 -12.746 -20.667 -10.996 1.00 30.42 N ATOM 764 NH2 ARG A 486 -14.449 -19.839 -12.293 1.00 14.24 N ATOM 0 H ARG A 486 -7.349 -16.002 -11.051 1.00 5.33 H new ATOM 0 HA ARG A 486 -9.831 -14.393 -10.886 1.00 34.21 H new ATOM 0 HB2 ARG A 486 -9.255 -17.148 -9.794 1.00 64.13 H new ATOM 0 HB3 ARG A 486 -10.500 -16.106 -9.135 1.00 64.13 H new ATOM 0 HG2 ARG A 486 -11.610 -16.030 -11.364 1.00 4.10 H new ATOM 0 HG3 ARG A 486 -10.368 -17.082 -12.015 1.00 4.10 H new ATOM 0 HD2 ARG A 486 -11.003 -18.881 -10.503 1.00 34.44 H new ATOM 0 HD3 ARG A 486 -12.107 -17.831 -9.637 1.00 34.44 H new ATOM 0 HE ARG A 486 -13.122 -17.712 -12.181 1.00 31.23 H new ATOM 0 HH11 ARG A 486 -11.866 -20.532 -10.498 1.00 30.42 H new ATOM 0 HH12 ARG A 486 -13.173 -21.593 -11.036 1.00 30.42 H new ATOM 0 HH21 ARG A 486 -14.882 -19.064 -12.795 1.00 14.24 H new ATOM 0 HH22 ARG A 486 -14.870 -20.767 -12.328 1.00 14.24 H new ATOM 778 N PRO A 487 -9.092 -13.551 -8.550 1.00 10.12 N ATOM 779 CA PRO A 487 -8.491 -12.851 -7.402 1.00 32.33 C ATOM 780 C PRO A 487 -7.933 -13.799 -6.329 1.00 54.42 C ATOM 781 O PRO A 487 -8.579 -14.772 -5.933 1.00 22.13 O ATOM 782 CB PRO A 487 -9.644 -12.003 -6.831 1.00 14.42 C ATOM 783 CG PRO A 487 -10.884 -12.552 -7.460 1.00 54.13 C ATOM 784 CD PRO A 487 -10.470 -13.084 -8.799 1.00 2.12 C ATOM 0 HA PRO A 487 -7.629 -12.262 -7.716 1.00 32.33 H new ATOM 0 HB2 PRO A 487 -9.687 -12.078 -5.744 1.00 14.42 H new ATOM 0 HB3 PRO A 487 -9.514 -10.948 -7.073 1.00 14.42 H new ATOM 0 HG2 PRO A 487 -11.317 -13.340 -6.844 1.00 54.13 H new ATOM 0 HG3 PRO A 487 -11.643 -11.777 -7.566 1.00 54.13 H new ATOM 0 HD2 PRO A 487 -11.119 -13.895 -9.131 1.00 2.12 H new ATOM 0 HD3 PRO A 487 -10.504 -12.313 -9.569 1.00 2.12 H new ATOM 792 N SER A 488 -6.728 -13.505 -5.888 1.00 32.33 N ATOM 793 CA SER A 488 -6.030 -14.269 -4.871 1.00 44.01 C ATOM 794 C SER A 488 -6.628 -14.015 -3.478 1.00 73.10 C ATOM 795 O SER A 488 -6.407 -14.781 -2.534 1.00 32.53 O ATOM 796 CB SER A 488 -4.571 -13.846 -4.891 1.00 54.32 C ATOM 797 OG SER A 488 -4.065 -13.912 -6.207 1.00 5.44 O ATOM 0 H SER A 488 -6.192 -12.709 -6.234 1.00 32.33 H new ATOM 0 HA SER A 488 -6.129 -15.334 -5.082 1.00 44.01 H new ATOM 0 HB2 SER A 488 -4.473 -12.831 -4.506 1.00 54.32 H new ATOM 0 HB3 SER A 488 -3.988 -14.493 -4.236 1.00 54.32 H new ATOM 0 HG SER A 488 -3.086 -13.953 -6.179 1.00 5.44 H new ATOM 803 N GLY A 489 -7.371 -12.934 -3.362 1.00 24.03 N ATOM 804 CA GLY A 489 -7.979 -12.572 -2.098 1.00 54.13 C ATOM 805 C GLY A 489 -7.461 -11.252 -1.629 1.00 64.12 C ATOM 806 O GLY A 489 -8.091 -10.576 -0.812 1.00 50.25 O ATOM 0 H GLY A 489 -7.569 -12.290 -4.128 1.00 24.03 H new ATOM 0 HA2 GLY A 489 -9.062 -12.526 -2.209 1.00 54.13 H new ATOM 0 HA3 GLY A 489 -7.767 -13.339 -1.353 1.00 54.13 H new ATOM 810 N ASP A 490 -6.319 -10.887 -2.169 1.00 55.20 N ATOM 811 CA ASP A 490 -5.646 -9.636 -1.869 1.00 52.42 C ATOM 812 C ASP A 490 -5.794 -8.755 -3.107 1.00 5.31 C ATOM 813 O ASP A 490 -5.894 -9.285 -4.232 1.00 33.52 O ATOM 814 CB ASP A 490 -4.159 -9.922 -1.583 1.00 50.25 C ATOM 815 CG ASP A 490 -3.419 -8.793 -0.884 1.00 4.05 C ATOM 816 OD1 ASP A 490 -2.755 -7.986 -1.551 1.00 32.14 O ATOM 817 OD2 ASP A 490 -3.431 -8.758 0.371 1.00 63.51 O ATOM 0 H ASP A 490 -5.818 -11.463 -2.845 1.00 55.20 H new ATOM 0 HA ASP A 490 -6.071 -9.142 -0.995 1.00 52.42 H new ATOM 0 HB2 ASP A 490 -4.087 -10.820 -0.970 1.00 50.25 H new ATOM 0 HB3 ASP A 490 -3.657 -10.139 -2.526 1.00 50.25 H new ATOM 822 N ALA A 491 -5.863 -7.465 -2.933 1.00 50.22 N ATOM 823 CA ALA A 491 -6.080 -6.557 -4.043 1.00 11.24 C ATOM 824 C ALA A 491 -5.640 -5.169 -3.689 1.00 55.04 C ATOM 825 O ALA A 491 -5.323 -4.888 -2.544 1.00 4.34 O ATOM 826 CB ALA A 491 -7.556 -6.525 -4.406 1.00 52.43 C ATOM 0 H ALA A 491 -5.772 -7.007 -2.026 1.00 50.22 H new ATOM 0 HA ALA A 491 -5.494 -6.914 -4.890 1.00 11.24 H new ATOM 0 HB1 ALA A 491 -7.711 -5.841 -5.240 1.00 52.43 H new ATOM 0 HB2 ALA A 491 -7.882 -7.525 -4.691 1.00 52.43 H new ATOM 0 HB3 ALA A 491 -8.135 -6.186 -3.547 1.00 52.43 H new ATOM 832 N PHE A 492 -5.624 -4.317 -4.671 1.00 20.41 N ATOM 833 CA PHE A 492 -5.309 -2.941 -4.496 1.00 41.42 C ATOM 834 C PHE A 492 -6.387 -2.093 -5.126 1.00 15.41 C ATOM 835 O PHE A 492 -7.053 -2.506 -6.067 1.00 24.24 O ATOM 836 CB PHE A 492 -3.994 -2.589 -5.177 1.00 23.33 C ATOM 837 CG PHE A 492 -2.788 -3.297 -4.663 1.00 31.30 C ATOM 838 CD1 PHE A 492 -2.112 -2.818 -3.560 1.00 54.11 C ATOM 839 CD2 PHE A 492 -2.312 -4.425 -5.303 1.00 24.22 C ATOM 840 CE1 PHE A 492 -0.984 -3.451 -3.102 1.00 63.53 C ATOM 841 CE2 PHE A 492 -1.188 -5.066 -4.847 1.00 1.23 C ATOM 842 CZ PHE A 492 -0.522 -4.577 -3.748 1.00 4.12 C ATOM 0 H PHE A 492 -5.835 -4.571 -5.636 1.00 20.41 H new ATOM 0 HA PHE A 492 -5.231 -2.752 -3.425 1.00 41.42 H new ATOM 0 HB2 PHE A 492 -4.090 -2.801 -6.242 1.00 23.33 H new ATOM 0 HB3 PHE A 492 -3.832 -1.516 -5.079 1.00 23.33 H new ATOM 0 HD1 PHE A 492 -2.474 -1.936 -3.052 1.00 54.11 H new ATOM 0 HD2 PHE A 492 -2.830 -4.806 -6.171 1.00 24.22 H new ATOM 0 HE1 PHE A 492 -0.460 -3.068 -2.239 1.00 63.53 H new ATOM 0 HE2 PHE A 492 -0.828 -5.951 -5.349 1.00 1.23 H new ATOM 0 HZ PHE A 492 0.366 -5.077 -3.390 1.00 4.12 H new ATOM 852 N ILE A 493 -6.564 -0.951 -4.592 1.00 4.52 N ATOM 853 CA ILE A 493 -7.421 0.065 -5.142 1.00 4.21 C ATOM 854 C ILE A 493 -6.612 1.323 -5.147 1.00 62.55 C ATOM 855 O ILE A 493 -5.882 1.567 -4.212 1.00 24.14 O ATOM 856 CB ILE A 493 -8.712 0.290 -4.287 1.00 2.25 C ATOM 857 CG1 ILE A 493 -9.645 -0.926 -4.349 1.00 44.10 C ATOM 858 CG2 ILE A 493 -9.451 1.567 -4.687 1.00 30.24 C ATOM 859 CD1 ILE A 493 -10.940 -0.752 -3.576 1.00 24.20 C ATOM 0 H ILE A 493 -6.106 -0.669 -3.725 1.00 4.52 H new ATOM 0 HA ILE A 493 -7.755 -0.234 -6.135 1.00 4.21 H new ATOM 0 HB ILE A 493 -8.387 0.413 -3.254 1.00 2.25 H new ATOM 0 HG12 ILE A 493 -9.882 -1.136 -5.392 1.00 44.10 H new ATOM 0 HG13 ILE A 493 -9.116 -1.797 -3.961 1.00 44.10 H new ATOM 0 HG21 ILE A 493 -10.340 1.682 -4.067 1.00 30.24 H new ATOM 0 HG22 ILE A 493 -8.796 2.426 -4.545 1.00 30.24 H new ATOM 0 HG23 ILE A 493 -9.745 1.504 -5.735 1.00 30.24 H new ATOM 0 HD11 ILE A 493 -11.544 -1.655 -3.670 1.00 24.20 H new ATOM 0 HD12 ILE A 493 -10.715 -0.573 -2.525 1.00 24.20 H new ATOM 0 HD13 ILE A 493 -11.492 0.097 -3.978 1.00 24.20 H new ATOM 871 N GLN A 494 -6.675 2.073 -6.177 1.00 13.22 N ATOM 872 CA GLN A 494 -5.964 3.309 -6.182 1.00 34.22 C ATOM 873 C GLN A 494 -6.955 4.455 -6.136 1.00 15.31 C ATOM 874 O GLN A 494 -7.780 4.643 -7.054 1.00 40.33 O ATOM 875 CB GLN A 494 -4.977 3.408 -7.338 1.00 34.34 C ATOM 876 CG GLN A 494 -3.977 4.521 -7.133 1.00 23.32 C ATOM 877 CD GLN A 494 -2.831 4.506 -8.114 1.00 64.11 C ATOM 878 OE1 GLN A 494 -2.965 4.087 -9.269 1.00 74.24 O ATOM 879 NE2 GLN A 494 -1.694 4.971 -7.673 1.00 54.32 N ATOM 0 H GLN A 494 -7.203 1.865 -7.025 1.00 13.22 H new ATOM 0 HA GLN A 494 -5.342 3.365 -5.288 1.00 34.22 H new ATOM 0 HB2 GLN A 494 -4.448 2.461 -7.446 1.00 34.34 H new ATOM 0 HB3 GLN A 494 -5.522 3.576 -8.267 1.00 34.34 H new ATOM 0 HG2 GLN A 494 -4.494 5.478 -7.208 1.00 23.32 H new ATOM 0 HG3 GLN A 494 -3.577 4.454 -6.121 1.00 23.32 H new ATOM 0 HE21 GLN A 494 -1.619 5.309 -6.714 1.00 54.32 H new ATOM 0 HE22 GLN A 494 -0.881 4.997 -8.288 1.00 54.32 H new ATOM 888 N MET A 495 -6.888 5.189 -5.065 1.00 22.42 N ATOM 889 CA MET A 495 -7.836 6.229 -4.760 1.00 61.42 C ATOM 890 C MET A 495 -7.311 7.552 -5.300 1.00 4.23 C ATOM 891 O MET A 495 -6.157 7.649 -5.675 1.00 64.34 O ATOM 892 CB MET A 495 -7.972 6.304 -3.241 1.00 21.22 C ATOM 893 CG MET A 495 -9.369 6.592 -2.750 1.00 13.43 C ATOM 894 SD MET A 495 -10.522 5.291 -3.197 1.00 25.32 S ATOM 895 CE MET A 495 -12.001 5.874 -2.391 1.00 21.03 C ATOM 0 H MET A 495 -6.158 5.082 -4.361 1.00 22.42 H new ATOM 0 HA MET A 495 -8.805 6.021 -5.214 1.00 61.42 H new ATOM 0 HB2 MET A 495 -7.638 5.359 -2.812 1.00 21.22 H new ATOM 0 HB3 MET A 495 -7.302 7.079 -2.867 1.00 21.22 H new ATOM 0 HG2 MET A 495 -9.355 6.707 -1.666 1.00 13.43 H new ATOM 0 HG3 MET A 495 -9.712 7.539 -3.167 1.00 13.43 H new ATOM 0 HE1 MET A 495 -12.820 5.182 -2.588 1.00 21.03 H new ATOM 0 HE2 MET A 495 -11.829 5.936 -1.316 1.00 21.03 H new ATOM 0 HE3 MET A 495 -12.260 6.861 -2.775 1.00 21.03 H new ATOM 905 N LYS A 496 -8.177 8.550 -5.336 1.00 75.21 N ATOM 906 CA LYS A 496 -7.884 9.903 -5.836 1.00 43.44 C ATOM 907 C LYS A 496 -6.657 10.514 -5.167 1.00 3.01 C ATOM 908 O LYS A 496 -5.784 11.093 -5.829 1.00 64.23 O ATOM 909 CB LYS A 496 -9.075 10.783 -5.504 1.00 42.04 C ATOM 910 CG LYS A 496 -9.007 12.215 -6.017 1.00 63.22 C ATOM 911 CD LYS A 496 -10.168 13.043 -5.478 1.00 55.23 C ATOM 912 CE LYS A 496 -11.509 12.551 -5.994 1.00 10.52 C ATOM 913 NZ LYS A 496 -12.635 13.251 -5.347 1.00 31.32 N ATOM 0 H LYS A 496 -9.138 8.448 -5.010 1.00 75.21 H new ATOM 0 HA LYS A 496 -7.691 9.837 -6.907 1.00 43.44 H new ATOM 0 HB2 LYS A 496 -9.972 10.315 -5.909 1.00 42.04 H new ATOM 0 HB3 LYS A 496 -9.191 10.811 -4.421 1.00 42.04 H new ATOM 0 HG2 LYS A 496 -8.062 12.668 -5.717 1.00 63.22 H new ATOM 0 HG3 LYS A 496 -9.030 12.216 -7.107 1.00 63.22 H new ATOM 0 HD2 LYS A 496 -10.164 13.006 -4.389 1.00 55.23 H new ATOM 0 HD3 LYS A 496 -10.031 14.086 -5.762 1.00 55.23 H new ATOM 0 HE2 LYS A 496 -11.560 12.700 -7.073 1.00 10.52 H new ATOM 0 HE3 LYS A 496 -11.596 11.479 -5.815 1.00 10.52 H new ATOM 0 HZ1 LYS A 496 -13.512 13.055 -5.870 1.00 31.32 H new ATOM 0 HZ2 LYS A 496 -12.734 12.917 -4.367 1.00 31.32 H new ATOM 0 HZ3 LYS A 496 -12.453 14.275 -5.347 1.00 31.32 H new ATOM 927 N SER A 497 -6.604 10.379 -3.875 1.00 24.33 N ATOM 928 CA SER A 497 -5.597 11.006 -3.078 1.00 3.43 C ATOM 929 C SER A 497 -5.266 10.133 -1.876 1.00 3.41 C ATOM 930 O SER A 497 -6.000 9.177 -1.572 1.00 61.20 O ATOM 931 CB SER A 497 -6.100 12.371 -2.601 1.00 1.45 C ATOM 932 OG SER A 497 -6.516 13.191 -3.685 1.00 1.12 O ATOM 0 H SER A 497 -7.270 9.822 -3.339 1.00 24.33 H new ATOM 0 HA SER A 497 -4.697 11.139 -3.678 1.00 3.43 H new ATOM 0 HB2 SER A 497 -6.933 12.230 -1.912 1.00 1.45 H new ATOM 0 HB3 SER A 497 -5.309 12.876 -2.047 1.00 1.45 H new ATOM 0 HG SER A 497 -6.832 14.053 -3.341 1.00 1.12 H new ATOM 938 N ALA A 498 -4.192 10.480 -1.195 1.00 73.53 N ATOM 939 CA ALA A 498 -3.718 9.760 -0.021 1.00 54.44 C ATOM 940 C ALA A 498 -4.713 9.835 1.133 1.00 54.34 C ATOM 941 O ALA A 498 -4.949 8.848 1.827 1.00 21.43 O ATOM 942 CB ALA A 498 -2.376 10.310 0.416 1.00 14.54 C ATOM 0 H ALA A 498 -3.612 11.282 -1.442 1.00 73.53 H new ATOM 0 HA ALA A 498 -3.612 8.711 -0.297 1.00 54.44 H new ATOM 0 HB1 ALA A 498 -2.029 9.766 1.294 1.00 14.54 H new ATOM 0 HB2 ALA A 498 -1.654 10.193 -0.392 1.00 14.54 H new ATOM 0 HB3 ALA A 498 -2.478 11.367 0.661 1.00 14.54 H new ATOM 948 N ASP A 499 -5.323 10.998 1.311 1.00 1.31 N ATOM 949 CA ASP A 499 -6.283 11.207 2.399 1.00 73.43 C ATOM 950 C ASP A 499 -7.530 10.398 2.115 1.00 3.44 C ATOM 951 O ASP A 499 -8.140 9.823 3.006 1.00 63.34 O ATOM 952 CB ASP A 499 -6.652 12.689 2.542 1.00 33.13 C ATOM 953 CG ASP A 499 -7.508 13.206 1.415 1.00 60.53 C ATOM 954 OD1 ASP A 499 -8.684 13.523 1.651 1.00 73.31 O ATOM 955 OD2 ASP A 499 -7.046 13.215 0.266 1.00 63.20 O ATOM 0 H ASP A 499 -5.174 11.815 0.719 1.00 1.31 H new ATOM 0 HA ASP A 499 -5.825 10.884 3.334 1.00 73.43 H new ATOM 0 HB2 ASP A 499 -7.179 12.835 3.485 1.00 33.13 H new ATOM 0 HB3 ASP A 499 -5.737 13.280 2.594 1.00 33.13 H new ATOM 960 N ARG A 500 -7.871 10.362 0.851 1.00 1.21 N ATOM 961 CA ARG A 500 -8.969 9.570 0.334 1.00 45.25 C ATOM 962 C ARG A 500 -8.751 8.098 0.653 1.00 63.04 C ATOM 963 O ARG A 500 -9.649 7.428 1.163 1.00 71.40 O ATOM 964 CB ARG A 500 -9.089 9.764 -1.180 1.00 30.32 C ATOM 965 CG ARG A 500 -10.207 10.675 -1.691 1.00 43.40 C ATOM 966 CD ARG A 500 -10.165 12.126 -1.191 1.00 1.41 C ATOM 967 NE ARG A 500 -10.588 12.252 0.205 1.00 21.34 N ATOM 968 CZ ARG A 500 -11.852 12.093 0.646 1.00 4.44 C ATOM 969 NH1 ARG A 500 -12.859 11.925 -0.222 1.00 64.34 N ATOM 970 NH2 ARG A 500 -12.113 12.165 1.946 1.00 62.42 N ATOM 0 H ARG A 500 -7.383 10.895 0.131 1.00 1.21 H new ATOM 0 HA ARG A 500 -9.893 9.900 0.809 1.00 45.25 H new ATOM 0 HB2 ARG A 500 -8.141 10.159 -1.544 1.00 30.32 H new ATOM 0 HB3 ARG A 500 -9.221 8.782 -1.635 1.00 30.32 H new ATOM 0 HG2 ARG A 500 -10.173 10.685 -2.780 1.00 43.40 H new ATOM 0 HG3 ARG A 500 -11.165 10.239 -1.405 1.00 43.40 H new ATOM 0 HD2 ARG A 500 -9.152 12.514 -1.296 1.00 1.41 H new ATOM 0 HD3 ARG A 500 -10.809 12.742 -1.819 1.00 1.41 H new ATOM 0 HE ARG A 500 -9.872 12.477 0.896 1.00 21.34 H new ATOM 0 HH11 ARG A 500 -12.672 11.917 -1.225 1.00 64.34 H new ATOM 0 HH12 ARG A 500 -13.812 11.805 0.120 1.00 64.34 H new ATOM 0 HH21 ARG A 500 -11.358 12.340 2.609 1.00 62.42 H new ATOM 0 HH22 ARG A 500 -13.069 12.045 2.282 1.00 62.42 H new ATOM 984 N ALA A 501 -7.545 7.617 0.378 1.00 5.20 N ATOM 985 CA ALA A 501 -7.178 6.235 0.648 1.00 14.14 C ATOM 986 C ALA A 501 -7.215 5.957 2.140 1.00 65.11 C ATOM 987 O ALA A 501 -7.673 4.908 2.573 1.00 11.05 O ATOM 988 CB ALA A 501 -5.802 5.925 0.075 1.00 15.22 C ATOM 0 H ALA A 501 -6.797 8.173 -0.037 1.00 5.20 H new ATOM 0 HA ALA A 501 -7.904 5.584 0.161 1.00 14.14 H new ATOM 0 HB1 ALA A 501 -5.545 4.887 0.287 1.00 15.22 H new ATOM 0 HB2 ALA A 501 -5.813 6.083 -1.003 1.00 15.22 H new ATOM 0 HB3 ALA A 501 -5.062 6.582 0.531 1.00 15.22 H new ATOM 994 N PHE A 502 -6.767 6.926 2.912 1.00 32.21 N ATOM 995 CA PHE A 502 -6.759 6.838 4.363 1.00 22.42 C ATOM 996 C PHE A 502 -8.181 6.715 4.909 1.00 42.34 C ATOM 997 O PHE A 502 -8.461 5.867 5.760 1.00 73.21 O ATOM 998 CB PHE A 502 -6.043 8.067 4.958 1.00 55.30 C ATOM 999 CG PHE A 502 -6.060 8.148 6.462 1.00 51.35 C ATOM 1000 CD1 PHE A 502 -6.922 9.023 7.112 1.00 21.41 C ATOM 1001 CD2 PHE A 502 -5.222 7.353 7.224 1.00 25.13 C ATOM 1002 CE1 PHE A 502 -6.945 9.101 8.490 1.00 65.14 C ATOM 1003 CE2 PHE A 502 -5.242 7.430 8.604 1.00 64.00 C ATOM 1004 CZ PHE A 502 -6.104 8.304 9.237 1.00 74.21 C ATOM 0 H PHE A 502 -6.395 7.804 2.550 1.00 32.21 H new ATOM 0 HA PHE A 502 -6.215 5.941 4.657 1.00 22.42 H new ATOM 0 HB2 PHE A 502 -5.006 8.063 4.621 1.00 55.30 H new ATOM 0 HB3 PHE A 502 -6.505 8.968 4.555 1.00 55.30 H new ATOM 0 HD1 PHE A 502 -7.582 9.650 6.532 1.00 21.41 H new ATOM 0 HD2 PHE A 502 -4.546 6.666 6.736 1.00 25.13 H new ATOM 0 HE1 PHE A 502 -7.621 9.785 8.982 1.00 65.14 H new ATOM 0 HE2 PHE A 502 -4.582 6.806 9.188 1.00 64.00 H new ATOM 0 HZ PHE A 502 -6.119 8.363 10.315 1.00 74.21 H new ATOM 1014 N MET A 503 -9.076 7.528 4.386 1.00 73.23 N ATOM 1015 CA MET A 503 -10.450 7.531 4.838 1.00 71.31 C ATOM 1016 C MET A 503 -11.143 6.238 4.423 1.00 51.42 C ATOM 1017 O MET A 503 -11.940 5.673 5.176 1.00 3.25 O ATOM 1018 CB MET A 503 -11.199 8.744 4.285 1.00 43.11 C ATOM 1019 CG MET A 503 -12.627 8.867 4.789 1.00 50.53 C ATOM 1020 SD MET A 503 -13.493 10.264 4.060 1.00 64.31 S ATOM 1021 CE MET A 503 -15.100 10.079 4.824 1.00 40.23 C ATOM 0 H MET A 503 -8.874 8.198 3.644 1.00 73.23 H new ATOM 0 HA MET A 503 -10.456 7.596 5.926 1.00 71.31 H new ATOM 0 HB2 MET A 503 -10.651 9.649 4.549 1.00 43.11 H new ATOM 0 HB3 MET A 503 -11.212 8.686 3.197 1.00 43.11 H new ATOM 0 HG2 MET A 503 -13.169 7.949 4.563 1.00 50.53 H new ATOM 0 HG3 MET A 503 -12.619 8.974 5.874 1.00 50.53 H new ATOM 0 HE1 MET A 503 -15.851 10.589 4.220 1.00 40.23 H new ATOM 0 HE2 MET A 503 -15.349 9.020 4.895 1.00 40.23 H new ATOM 0 HE3 MET A 503 -15.080 10.515 5.823 1.00 40.23 H new ATOM 1031 N ALA A 504 -10.807 5.760 3.238 1.00 40.42 N ATOM 1032 CA ALA A 504 -11.364 4.531 2.719 1.00 65.41 C ATOM 1033 C ALA A 504 -10.879 3.341 3.532 1.00 51.03 C ATOM 1034 O ALA A 504 -11.644 2.415 3.801 1.00 21.30 O ATOM 1035 CB ALA A 504 -11.010 4.362 1.255 1.00 51.12 C ATOM 0 H ALA A 504 -10.142 6.214 2.612 1.00 40.42 H new ATOM 0 HA ALA A 504 -12.450 4.582 2.803 1.00 65.41 H new ATOM 0 HB1 ALA A 504 -11.438 3.431 0.882 1.00 51.12 H new ATOM 0 HB2 ALA A 504 -11.411 5.200 0.685 1.00 51.12 H new ATOM 0 HB3 ALA A 504 -9.926 4.333 1.144 1.00 51.12 H new ATOM 1041 N ALA A 505 -9.620 3.388 3.944 1.00 41.32 N ATOM 1042 CA ALA A 505 -9.035 2.345 4.764 1.00 61.24 C ATOM 1043 C ALA A 505 -9.678 2.319 6.133 1.00 22.31 C ATOM 1044 O ALA A 505 -9.936 1.271 6.666 1.00 35.41 O ATOM 1045 CB ALA A 505 -7.528 2.513 4.875 1.00 33.22 C ATOM 0 H ALA A 505 -8.980 4.149 3.718 1.00 41.32 H new ATOM 0 HA ALA A 505 -9.227 1.388 4.278 1.00 61.24 H new ATOM 0 HB1 ALA A 505 -7.118 1.716 5.496 1.00 33.22 H new ATOM 0 HB2 ALA A 505 -7.082 2.465 3.881 1.00 33.22 H new ATOM 0 HB3 ALA A 505 -7.302 3.478 5.328 1.00 33.22 H new ATOM 1051 N GLN A 506 -9.967 3.486 6.682 1.00 35.33 N ATOM 1052 CA GLN A 506 -10.627 3.568 7.976 1.00 32.50 C ATOM 1053 C GLN A 506 -12.051 3.026 7.871 1.00 23.34 C ATOM 1054 O GLN A 506 -12.517 2.290 8.740 1.00 51.33 O ATOM 1055 CB GLN A 506 -10.578 5.021 8.528 1.00 5.33 C ATOM 1056 CG GLN A 506 -11.228 5.224 9.908 1.00 42.52 C ATOM 1057 CD GLN A 506 -12.751 5.386 9.872 1.00 33.14 C ATOM 1058 OE1 GLN A 506 -13.315 5.926 8.918 1.00 23.44 O ATOM 1059 NE2 GLN A 506 -13.417 4.914 10.886 1.00 21.52 N ATOM 0 H GLN A 506 -9.756 4.388 6.255 1.00 35.33 H new ATOM 0 HA GLN A 506 -10.094 2.945 8.694 1.00 32.50 H new ATOM 0 HB2 GLN A 506 -9.536 5.335 8.586 1.00 5.33 H new ATOM 0 HB3 GLN A 506 -11.070 5.680 7.813 1.00 5.33 H new ATOM 0 HG2 GLN A 506 -10.980 4.372 10.542 1.00 42.52 H new ATOM 0 HG3 GLN A 506 -10.792 6.107 10.375 1.00 42.52 H new ATOM 0 HE21 GLN A 506 -12.922 4.472 11.661 1.00 21.52 H new ATOM 0 HE22 GLN A 506 -14.434 4.986 10.906 1.00 21.52 H new ATOM 1068 N LYS A 507 -12.710 3.373 6.794 1.00 44.32 N ATOM 1069 CA LYS A 507 -14.067 2.942 6.523 1.00 72.24 C ATOM 1070 C LYS A 507 -14.144 1.420 6.339 1.00 41.14 C ATOM 1071 O LYS A 507 -15.066 0.767 6.834 1.00 34.40 O ATOM 1072 CB LYS A 507 -14.576 3.656 5.253 1.00 54.21 C ATOM 1073 CG LYS A 507 -15.988 3.291 4.794 1.00 14.13 C ATOM 1074 CD LYS A 507 -17.042 3.661 5.823 1.00 72.01 C ATOM 1075 CE LYS A 507 -18.457 3.441 5.287 1.00 0.00 C ATOM 1076 NZ LYS A 507 -18.710 2.044 4.865 1.00 72.23 N ATOM 0 H LYS A 507 -12.317 3.971 6.068 1.00 44.32 H new ATOM 0 HA LYS A 507 -14.694 3.203 7.375 1.00 72.24 H new ATOM 0 HB2 LYS A 507 -14.539 4.731 5.427 1.00 54.21 H new ATOM 0 HB3 LYS A 507 -13.884 3.441 4.438 1.00 54.21 H new ATOM 0 HG2 LYS A 507 -16.205 3.800 3.855 1.00 14.13 H new ATOM 0 HG3 LYS A 507 -16.038 2.220 4.595 1.00 14.13 H new ATOM 0 HD2 LYS A 507 -16.897 3.064 6.723 1.00 72.01 H new ATOM 0 HD3 LYS A 507 -16.920 4.705 6.110 1.00 72.01 H new ATOM 0 HE2 LYS A 507 -19.177 3.717 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 507 -18.625 4.106 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 507 -19.712 1.935 4.608 1.00 72.23 H new ATOM 0 HZ2 LYS A 507 -18.115 1.816 4.043 1.00 72.23 H new ATOM 0 HZ3 LYS A 507 -18.481 1.398 5.647 1.00 72.23 H new ATOM 1090 N CYS A 508 -13.171 0.867 5.665 1.00 41.31 N ATOM 1091 CA CYS A 508 -13.214 -0.514 5.314 1.00 34.11 C ATOM 1092 C CYS A 508 -12.221 -1.382 6.125 1.00 32.42 C ATOM 1093 O CYS A 508 -11.953 -2.536 5.766 1.00 63.43 O ATOM 1094 CB CYS A 508 -12.964 -0.643 3.823 1.00 51.35 C ATOM 1095 SG CYS A 508 -13.966 0.474 2.813 1.00 71.23 S ATOM 0 H CYS A 508 -12.337 1.362 5.350 1.00 41.31 H new ATOM 0 HA CYS A 508 -14.203 -0.896 5.566 1.00 34.11 H new ATOM 0 HB2 CYS A 508 -11.910 -0.451 3.623 1.00 51.35 H new ATOM 0 HB3 CYS A 508 -13.164 -1.670 3.518 1.00 51.35 H new ATOM 0 HG CYS A 508 -13.434 1.660 2.820 1.00 71.23 H new ATOM 1101 N HIS A 509 -11.674 -0.840 7.201 1.00 1.33 N ATOM 1102 CA HIS A 509 -10.778 -1.611 8.061 1.00 41.55 C ATOM 1103 C HIS A 509 -11.568 -2.714 8.774 1.00 2.24 C ATOM 1104 O HIS A 509 -12.269 -2.449 9.759 1.00 12.21 O ATOM 1105 CB HIS A 509 -10.064 -0.707 9.086 1.00 13.35 C ATOM 1106 CG HIS A 509 -8.970 -1.399 9.858 1.00 45.22 C ATOM 1107 ND1 HIS A 509 -9.132 -1.954 11.109 1.00 73.22 N ATOM 1108 CD2 HIS A 509 -7.672 -1.614 9.524 1.00 22.33 C ATOM 1109 CE1 HIS A 509 -7.965 -2.474 11.486 1.00 62.12 C ATOM 1110 NE2 HIS A 509 -7.040 -2.296 10.562 1.00 72.54 N ATOM 0 H HIS A 509 -11.830 0.122 7.502 1.00 1.33 H new ATOM 0 HA HIS A 509 -10.010 -2.066 7.436 1.00 41.55 H new ATOM 0 HB2 HIS A 509 -9.640 0.151 8.565 1.00 13.35 H new ATOM 0 HB3 HIS A 509 -10.801 -0.320 9.789 1.00 13.35 H new ATOM 0 HD1 HIS A 509 -9.995 -1.965 11.652 1.00 73.22 H new ATOM 0 HD2 HIS A 509 -7.204 -1.306 8.601 1.00 22.33 H new ATOM 0 HE1 HIS A 509 -7.797 -2.977 12.427 1.00 62.12 H new ATOM 1118 N LYS A 510 -11.490 -3.920 8.215 1.00 21.25 N ATOM 1119 CA LYS A 510 -12.182 -5.110 8.696 1.00 4.32 C ATOM 1120 C LYS A 510 -13.687 -4.928 8.532 1.00 33.12 C ATOM 1121 O LYS A 510 -14.479 -5.005 9.483 1.00 4.24 O ATOM 1122 CB LYS A 510 -11.778 -5.482 10.129 1.00 4.43 C ATOM 1123 CG LYS A 510 -12.299 -6.839 10.589 1.00 65.21 C ATOM 1124 CD LYS A 510 -11.837 -7.176 11.994 1.00 32.32 C ATOM 1125 CE LYS A 510 -12.349 -8.537 12.416 1.00 72.43 C ATOM 1126 NZ LYS A 510 -11.854 -8.933 13.747 1.00 14.23 N ATOM 0 H LYS A 510 -10.923 -4.100 7.386 1.00 21.25 H new ATOM 0 HA LYS A 510 -11.876 -5.961 8.087 1.00 4.32 H new ATOM 0 HB2 LYS A 510 -10.690 -5.479 10.201 1.00 4.43 H new ATOM 0 HB3 LYS A 510 -12.145 -4.714 10.810 1.00 4.43 H new ATOM 0 HG2 LYS A 510 -13.388 -6.840 10.555 1.00 65.21 H new ATOM 0 HG3 LYS A 510 -11.958 -7.611 9.900 1.00 65.21 H new ATOM 0 HD2 LYS A 510 -10.748 -7.163 12.037 1.00 32.32 H new ATOM 0 HD3 LYS A 510 -12.192 -6.417 12.691 1.00 32.32 H new ATOM 0 HE2 LYS A 510 -13.439 -8.526 12.425 1.00 72.43 H new ATOM 0 HE3 LYS A 510 -12.044 -9.282 11.681 1.00 72.43 H new ATOM 0 HZ1 LYS A 510 -12.231 -9.871 13.993 1.00 14.23 H new ATOM 0 HZ2 LYS A 510 -10.815 -8.970 13.734 1.00 14.23 H new ATOM 0 HZ3 LYS A 510 -12.167 -8.238 14.455 1.00 14.23 H new ATOM 1140 N LYS A 511 -14.044 -4.628 7.333 1.00 42.22 N ATOM 1141 CA LYS A 511 -15.402 -4.434 6.942 1.00 60.12 C ATOM 1142 C LYS A 511 -15.954 -5.738 6.416 1.00 40.34 C ATOM 1143 O LYS A 511 -15.254 -6.483 5.738 1.00 51.33 O ATOM 1144 CB LYS A 511 -15.474 -3.330 5.881 1.00 23.40 C ATOM 1145 CG LYS A 511 -16.839 -3.103 5.222 1.00 24.33 C ATOM 1146 CD LYS A 511 -17.923 -2.727 6.205 1.00 43.25 C ATOM 1147 CE LYS A 511 -19.259 -2.603 5.489 1.00 14.40 C ATOM 1148 NZ LYS A 511 -20.374 -2.324 6.409 1.00 35.14 N ATOM 0 H LYS A 511 -13.379 -4.506 6.569 1.00 42.22 H new ATOM 0 HA LYS A 511 -16.004 -4.123 7.796 1.00 60.12 H new ATOM 0 HB2 LYS A 511 -15.157 -2.394 6.341 1.00 23.40 H new ATOM 0 HB3 LYS A 511 -14.752 -3.561 5.098 1.00 23.40 H new ATOM 0 HG2 LYS A 511 -16.747 -2.315 4.474 1.00 24.33 H new ATOM 0 HG3 LYS A 511 -17.135 -4.010 4.695 1.00 24.33 H new ATOM 0 HD2 LYS A 511 -17.991 -3.481 6.989 1.00 43.25 H new ATOM 0 HD3 LYS A 511 -17.673 -1.784 6.690 1.00 43.25 H new ATOM 0 HE2 LYS A 511 -19.197 -1.806 4.748 1.00 14.40 H new ATOM 0 HE3 LYS A 511 -19.463 -3.526 4.947 1.00 14.40 H new ATOM 0 HZ1 LYS A 511 -21.260 -2.249 5.869 1.00 35.14 H new ATOM 0 HZ2 LYS A 511 -20.455 -3.096 7.101 1.00 35.14 H new ATOM 0 HZ3 LYS A 511 -20.197 -1.429 6.908 1.00 35.14 H new ATOM 1162 N ASN A 512 -17.172 -6.021 6.746 1.00 71.03 N ATOM 1163 CA ASN A 512 -17.807 -7.232 6.290 1.00 55.33 C ATOM 1164 C ASN A 512 -18.391 -7.017 4.917 1.00 4.24 C ATOM 1165 O ASN A 512 -19.320 -6.217 4.735 1.00 40.31 O ATOM 1166 CB ASN A 512 -18.930 -7.710 7.231 1.00 40.24 C ATOM 1167 CG ASN A 512 -18.474 -8.173 8.607 1.00 75.31 C ATOM 1168 OD1 ASN A 512 -17.482 -7.697 9.158 1.00 11.33 O ATOM 1169 ND2 ASN A 512 -19.204 -9.101 9.173 1.00 64.51 N ATOM 0 H ASN A 512 -17.758 -5.429 7.335 1.00 71.03 H new ATOM 0 HA ASN A 512 -17.035 -8.001 6.272 1.00 55.33 H new ATOM 0 HB2 ASN A 512 -19.645 -6.897 7.358 1.00 40.24 H new ATOM 0 HB3 ASN A 512 -19.462 -8.530 6.748 1.00 40.24 H new ATOM 0 HD21 ASN A 512 -18.956 -9.451 10.099 1.00 64.51 H new ATOM 0 HD22 ASN A 512 -20.020 -9.474 8.688 1.00 64.51 H new ATOM 1176 N MET A 513 -17.846 -7.693 3.962 1.00 5.43 N ATOM 1177 CA MET A 513 -18.355 -7.667 2.630 1.00 21.53 C ATOM 1178 C MET A 513 -19.274 -8.853 2.532 1.00 23.14 C ATOM 1179 O MET A 513 -18.824 -9.994 2.331 1.00 14.20 O ATOM 1180 CB MET A 513 -17.216 -7.768 1.619 1.00 61.44 C ATOM 1181 CG MET A 513 -17.616 -7.511 0.177 1.00 42.01 C ATOM 1182 SD MET A 513 -16.200 -7.606 -0.938 1.00 53.53 S ATOM 1183 CE MET A 513 -16.925 -7.044 -2.466 1.00 54.34 C ATOM 0 H MET A 513 -17.025 -8.286 4.085 1.00 5.43 H new ATOM 0 HA MET A 513 -18.879 -6.737 2.410 1.00 21.53 H new ATOM 0 HB2 MET A 513 -16.439 -7.057 1.897 1.00 61.44 H new ATOM 0 HB3 MET A 513 -16.777 -8.763 1.687 1.00 61.44 H new ATOM 0 HG2 MET A 513 -18.368 -8.239 -0.127 1.00 42.01 H new ATOM 0 HG3 MET A 513 -18.076 -6.526 0.097 1.00 42.01 H new ATOM 0 HE1 MET A 513 -16.136 -6.727 -3.148 1.00 54.34 H new ATOM 0 HE2 MET A 513 -17.492 -7.856 -2.920 1.00 54.34 H new ATOM 0 HE3 MET A 513 -17.591 -6.204 -2.266 1.00 54.34 H new ATOM 1193 N LYS A 514 -20.546 -8.595 2.794 1.00 14.31 N ATOM 1194 CA LYS A 514 -21.577 -9.614 2.893 1.00 43.40 C ATOM 1195 C LYS A 514 -21.370 -10.491 4.111 1.00 72.05 C ATOM 1196 O LYS A 514 -21.948 -10.232 5.167 1.00 23.34 O ATOM 1197 CB LYS A 514 -21.783 -10.447 1.604 1.00 5.15 C ATOM 1198 CG LYS A 514 -22.606 -9.765 0.506 1.00 1.41 C ATOM 1199 CD LYS A 514 -21.965 -8.505 -0.058 1.00 41.12 C ATOM 1200 CE LYS A 514 -22.844 -7.918 -1.147 1.00 2.14 C ATOM 1201 NZ LYS A 514 -22.212 -6.784 -1.836 1.00 24.52 N ATOM 0 H LYS A 514 -20.897 -7.650 2.947 1.00 14.31 H new ATOM 0 HA LYS A 514 -22.512 -9.069 3.020 1.00 43.40 H new ATOM 0 HB2 LYS A 514 -20.805 -10.702 1.196 1.00 5.15 H new ATOM 0 HB3 LYS A 514 -22.271 -11.384 1.871 1.00 5.15 H new ATOM 0 HG2 LYS A 514 -22.766 -10.474 -0.307 1.00 1.41 H new ATOM 0 HG3 LYS A 514 -23.588 -9.512 0.906 1.00 1.41 H new ATOM 0 HD2 LYS A 514 -21.820 -7.774 0.737 1.00 41.12 H new ATOM 0 HD3 LYS A 514 -20.979 -8.738 -0.461 1.00 41.12 H new ATOM 0 HE2 LYS A 514 -23.081 -8.694 -1.875 1.00 2.14 H new ATOM 0 HE3 LYS A 514 -23.788 -7.592 -0.710 1.00 2.14 H new ATOM 0 HZ1 LYS A 514 -22.613 -6.691 -2.791 1.00 24.52 H new ATOM 0 HZ2 LYS A 514 -22.388 -5.910 -1.300 1.00 24.52 H new ATOM 0 HZ3 LYS A 514 -21.187 -6.947 -1.905 1.00 24.52 H new ATOM 1215 N ASP A 515 -20.513 -11.465 3.992 1.00 55.41 N ATOM 1216 CA ASP A 515 -20.262 -12.394 5.075 1.00 50.30 C ATOM 1217 C ASP A 515 -18.790 -12.585 5.327 1.00 61.15 C ATOM 1218 O ASP A 515 -18.403 -13.341 6.214 1.00 64.23 O ATOM 1219 CB ASP A 515 -20.906 -13.769 4.832 1.00 71.42 C ATOM 1220 CG ASP A 515 -22.405 -13.743 4.803 1.00 50.40 C ATOM 1221 OD1 ASP A 515 -23.036 -13.712 5.877 1.00 12.41 O ATOM 1222 OD2 ASP A 515 -22.987 -13.792 3.704 1.00 52.14 O ATOM 0 H ASP A 515 -19.967 -11.643 3.149 1.00 55.41 H new ATOM 0 HA ASP A 515 -20.721 -11.942 5.954 1.00 50.30 H new ATOM 0 HB2 ASP A 515 -20.541 -14.168 3.885 1.00 71.42 H new ATOM 0 HB3 ASP A 515 -20.580 -14.455 5.614 1.00 71.42 H new ATOM 1227 N ARG A 516 -17.963 -11.917 4.583 1.00 4.20 N ATOM 1228 CA ARG A 516 -16.546 -12.120 4.727 1.00 13.24 C ATOM 1229 C ARG A 516 -15.907 -10.837 5.146 1.00 15.25 C ATOM 1230 O ARG A 516 -16.351 -9.773 4.762 1.00 14.30 O ATOM 1231 CB ARG A 516 -15.964 -12.609 3.421 1.00 55.41 C ATOM 1232 CG ARG A 516 -14.566 -13.197 3.524 1.00 33.33 C ATOM 1233 CD ARG A 516 -14.110 -13.764 2.193 1.00 21.43 C ATOM 1234 NE ARG A 516 -15.035 -14.794 1.695 1.00 34.41 N ATOM 1235 CZ ARG A 516 -14.708 -15.835 0.923 1.00 55.22 C ATOM 1236 NH1 ARG A 516 -13.457 -15.989 0.485 1.00 34.51 N ATOM 1237 NH2 ARG A 516 -15.644 -16.706 0.573 1.00 24.45 N ATOM 0 H ARG A 516 -18.235 -11.233 3.877 1.00 4.20 H new ATOM 0 HA ARG A 516 -16.354 -12.875 5.490 1.00 13.24 H new ATOM 0 HB2 ARG A 516 -16.630 -13.364 3.003 1.00 55.41 H new ATOM 0 HB3 ARG A 516 -15.942 -11.778 2.716 1.00 55.41 H new ATOM 0 HG2 ARG A 516 -13.868 -12.427 3.853 1.00 33.33 H new ATOM 0 HG3 ARG A 516 -14.554 -13.982 4.280 1.00 33.33 H new ATOM 0 HD2 ARG A 516 -14.033 -12.959 1.462 1.00 21.43 H new ATOM 0 HD3 ARG A 516 -13.113 -14.192 2.302 1.00 21.43 H new ATOM 0 HE ARG A 516 -16.015 -14.706 1.963 1.00 34.41 H new ATOM 0 HH11 ARG A 516 -12.740 -15.309 0.739 1.00 34.51 H new ATOM 0 HH12 ARG A 516 -13.217 -16.787 -0.104 1.00 34.51 H new ATOM 0 HH21 ARG A 516 -16.604 -16.579 0.893 1.00 24.45 H new ATOM 0 HH22 ARG A 516 -15.404 -17.503 -0.016 1.00 24.45 H new ATOM 1251 N TYR A 517 -14.888 -10.935 5.924 1.00 74.33 N ATOM 1252 CA TYR A 517 -14.219 -9.770 6.433 1.00 35.41 C ATOM 1253 C TYR A 517 -13.133 -9.366 5.472 1.00 2.34 C ATOM 1254 O TYR A 517 -12.224 -10.145 5.183 1.00 43.31 O ATOM 1255 CB TYR A 517 -13.568 -10.049 7.776 1.00 53.42 C ATOM 1256 CG TYR A 517 -14.489 -10.549 8.875 1.00 23.50 C ATOM 1257 CD1 TYR A 517 -14.882 -11.879 8.933 1.00 44.31 C ATOM 1258 CD2 TYR A 517 -14.936 -9.694 9.866 1.00 63.23 C ATOM 1259 CE1 TYR A 517 -15.695 -12.337 9.945 1.00 21.31 C ATOM 1260 CE2 TYR A 517 -15.755 -10.144 10.882 1.00 33.11 C ATOM 1261 CZ TYR A 517 -16.130 -11.466 10.917 1.00 34.21 C ATOM 1262 OH TYR A 517 -16.941 -11.926 11.937 1.00 21.40 O ATOM 0 H TYR A 517 -14.487 -11.821 6.231 1.00 74.33 H new ATOM 0 HA TYR A 517 -14.962 -8.981 6.550 1.00 35.41 H new ATOM 0 HB2 TYR A 517 -12.779 -10.786 7.628 1.00 53.42 H new ATOM 0 HB3 TYR A 517 -13.088 -9.133 8.121 1.00 53.42 H new ATOM 0 HD1 TYR A 517 -14.544 -12.566 8.171 1.00 44.31 H new ATOM 0 HD2 TYR A 517 -14.639 -8.656 9.845 1.00 63.23 H new ATOM 0 HE1 TYR A 517 -15.990 -13.375 9.976 1.00 21.31 H new ATOM 0 HE2 TYR A 517 -16.099 -9.461 11.645 1.00 33.11 H new ATOM 0 HH TYR A 517 -17.159 -11.186 12.541 1.00 21.40 H new ATOM 1272 N VAL A 518 -13.231 -8.194 4.990 1.00 73.41 N ATOM 1273 CA VAL A 518 -12.262 -7.641 4.116 1.00 44.43 C ATOM 1274 C VAL A 518 -11.496 -6.599 4.898 1.00 4.12 C ATOM 1275 O VAL A 518 -12.063 -5.605 5.376 1.00 50.20 O ATOM 1276 CB VAL A 518 -12.919 -6.996 2.876 1.00 33.34 C ATOM 1277 CG1 VAL A 518 -11.867 -6.393 1.953 1.00 12.23 C ATOM 1278 CG2 VAL A 518 -13.747 -8.019 2.118 1.00 63.35 C ATOM 0 H VAL A 518 -14.009 -7.567 5.194 1.00 73.41 H new ATOM 0 HA VAL A 518 -11.601 -8.428 3.752 1.00 44.43 H new ATOM 0 HB VAL A 518 -13.574 -6.197 3.223 1.00 33.34 H new ATOM 0 HG11 VAL A 518 -12.356 -5.945 1.088 1.00 12.23 H new ATOM 0 HG12 VAL A 518 -11.308 -5.627 2.490 1.00 12.23 H new ATOM 0 HG13 VAL A 518 -11.184 -7.175 1.620 1.00 12.23 H new ATOM 0 HG21 VAL A 518 -14.202 -7.546 1.248 1.00 63.35 H new ATOM 0 HG22 VAL A 518 -13.105 -8.837 1.792 1.00 63.35 H new ATOM 0 HG23 VAL A 518 -14.529 -8.409 2.769 1.00 63.35 H new ATOM 1288 N GLU A 519 -10.251 -6.855 5.088 1.00 44.41 N ATOM 1289 CA GLU A 519 -9.403 -5.972 5.813 1.00 65.21 C ATOM 1290 C GLU A 519 -8.719 -5.066 4.833 1.00 60.43 C ATOM 1291 O GLU A 519 -7.955 -5.517 3.979 1.00 74.21 O ATOM 1292 CB GLU A 519 -8.403 -6.763 6.626 1.00 44.04 C ATOM 1293 CG GLU A 519 -9.062 -7.754 7.560 1.00 1.53 C ATOM 1294 CD GLU A 519 -8.073 -8.545 8.344 1.00 33.51 C ATOM 1295 OE1 GLU A 519 -7.921 -8.287 9.551 1.00 31.24 O ATOM 1296 OE2 GLU A 519 -7.435 -9.457 7.771 1.00 22.00 O ATOM 0 H GLU A 519 -9.785 -7.693 4.741 1.00 44.41 H new ATOM 0 HA GLU A 519 -9.985 -5.370 6.511 1.00 65.21 H new ATOM 0 HB2 GLU A 519 -7.733 -7.296 5.951 1.00 44.04 H new ATOM 0 HB3 GLU A 519 -7.789 -6.075 7.207 1.00 44.04 H new ATOM 0 HG2 GLU A 519 -9.720 -7.220 8.245 1.00 1.53 H new ATOM 0 HG3 GLU A 519 -9.688 -8.433 6.981 1.00 1.53 H new ATOM 1303 N VAL A 520 -9.058 -3.825 4.897 1.00 2.33 N ATOM 1304 CA VAL A 520 -8.537 -2.845 4.000 1.00 44.44 C ATOM 1305 C VAL A 520 -7.497 -1.971 4.710 1.00 43.12 C ATOM 1306 O VAL A 520 -7.746 -1.466 5.801 1.00 23.44 O ATOM 1307 CB VAL A 520 -9.710 -2.005 3.457 1.00 61.33 C ATOM 1308 CG1 VAL A 520 -9.243 -0.891 2.578 1.00 63.42 C ATOM 1309 CG2 VAL A 520 -10.676 -2.904 2.699 1.00 32.34 C ATOM 0 H VAL A 520 -9.715 -3.454 5.583 1.00 2.33 H new ATOM 0 HA VAL A 520 -8.031 -3.329 3.164 1.00 44.44 H new ATOM 0 HB VAL A 520 -10.219 -1.553 4.308 1.00 61.33 H new ATOM 0 HG11 VAL A 520 -10.103 -0.326 2.218 1.00 63.42 H new ATOM 0 HG12 VAL A 520 -8.587 -0.231 3.145 1.00 63.42 H new ATOM 0 HG13 VAL A 520 -8.698 -1.302 1.728 1.00 63.42 H new ATOM 0 HG21 VAL A 520 -11.504 -2.307 2.316 1.00 32.34 H new ATOM 0 HG22 VAL A 520 -10.155 -3.378 1.867 1.00 32.34 H new ATOM 0 HG23 VAL A 520 -11.061 -3.672 3.370 1.00 32.34 H new ATOM 1319 N PHE A 521 -6.333 -1.844 4.096 1.00 65.43 N ATOM 1320 CA PHE A 521 -5.219 -1.074 4.641 1.00 63.55 C ATOM 1321 C PHE A 521 -4.714 -0.103 3.584 1.00 24.11 C ATOM 1322 O PHE A 521 -4.948 -0.307 2.413 1.00 64.13 O ATOM 1323 CB PHE A 521 -4.070 -2.014 5.035 1.00 5.14 C ATOM 1324 CG PHE A 521 -4.427 -3.039 6.079 1.00 63.21 C ATOM 1325 CD1 PHE A 521 -4.721 -4.348 5.717 1.00 53.43 C ATOM 1326 CD2 PHE A 521 -4.479 -2.695 7.417 1.00 71.05 C ATOM 1327 CE1 PHE A 521 -5.058 -5.287 6.670 1.00 2.34 C ATOM 1328 CE2 PHE A 521 -4.814 -3.634 8.374 1.00 13.24 C ATOM 1329 CZ PHE A 521 -5.104 -4.929 8.001 1.00 0.23 C ATOM 0 H PHE A 521 -6.129 -2.276 3.195 1.00 65.43 H new ATOM 0 HA PHE A 521 -5.563 -0.530 5.521 1.00 63.55 H new ATOM 0 HB2 PHE A 521 -3.719 -2.531 4.142 1.00 5.14 H new ATOM 0 HB3 PHE A 521 -3.238 -1.414 5.403 1.00 5.14 H new ATOM 0 HD1 PHE A 521 -4.685 -4.634 4.676 1.00 53.43 H new ATOM 0 HD2 PHE A 521 -4.256 -1.682 7.717 1.00 71.05 H new ATOM 0 HE1 PHE A 521 -5.285 -6.301 6.374 1.00 2.34 H new ATOM 0 HE2 PHE A 521 -4.849 -3.353 9.416 1.00 13.24 H new ATOM 0 HZ PHE A 521 -5.367 -5.662 8.750 1.00 0.23 H new ATOM 1339 N GLN A 522 -4.019 0.932 3.983 1.00 45.23 N ATOM 1340 CA GLN A 522 -3.480 1.897 3.038 1.00 43.22 C ATOM 1341 C GLN A 522 -2.045 1.501 2.668 1.00 0.22 C ATOM 1342 O GLN A 522 -1.299 0.974 3.506 1.00 4.52 O ATOM 1343 CB GLN A 522 -3.609 3.326 3.635 1.00 14.51 C ATOM 1344 CG GLN A 522 -3.047 4.508 2.816 1.00 51.31 C ATOM 1345 CD GLN A 522 -1.611 4.852 3.184 1.00 11.41 C ATOM 1346 OE1 GLN A 522 -1.367 5.647 4.085 1.00 11.43 O ATOM 1347 NE2 GLN A 522 -0.670 4.309 2.488 1.00 62.32 N ATOM 0 H GLN A 522 -3.808 1.135 4.960 1.00 45.23 H new ATOM 0 HA GLN A 522 -4.046 1.900 2.107 1.00 43.22 H new ATOM 0 HB2 GLN A 522 -4.667 3.518 3.816 1.00 14.51 H new ATOM 0 HB3 GLN A 522 -3.114 3.328 4.606 1.00 14.51 H new ATOM 0 HG2 GLN A 522 -3.097 4.265 1.755 1.00 51.31 H new ATOM 0 HG3 GLN A 522 -3.677 5.384 2.972 1.00 51.31 H new ATOM 0 HE21 GLN A 522 -0.901 3.651 1.744 1.00 62.32 H new ATOM 0 HE22 GLN A 522 0.305 4.538 2.682 1.00 62.32 H new ATOM 1356 N CYS A 523 -1.679 1.726 1.422 1.00 53.20 N ATOM 1357 CA CYS A 523 -0.370 1.356 0.904 1.00 52.20 C ATOM 1358 C CYS A 523 0.167 2.411 -0.054 1.00 45.54 C ATOM 1359 O CYS A 523 -0.551 3.354 -0.430 1.00 12.02 O ATOM 1360 CB CYS A 523 -0.413 -0.028 0.246 1.00 3.23 C ATOM 1361 SG CYS A 523 -1.748 -0.255 -0.932 1.00 31.13 S ATOM 0 H CYS A 523 -2.283 2.174 0.733 1.00 53.20 H new ATOM 0 HA CYS A 523 0.319 1.303 1.747 1.00 52.20 H new ATOM 0 HB2 CYS A 523 0.535 -0.204 -0.262 1.00 3.23 H new ATOM 0 HB3 CYS A 523 -0.502 -0.784 1.026 1.00 3.23 H new ATOM 0 HG CYS A 523 -1.471 -1.255 -1.715 1.00 31.13 H new ATOM 1367 N SER A 524 1.403 2.257 -0.427 1.00 70.03 N ATOM 1368 CA SER A 524 2.089 3.222 -1.268 1.00 72.12 C ATOM 1369 C SER A 524 2.095 2.776 -2.735 1.00 33.04 C ATOM 1370 O SER A 524 2.225 1.579 -3.023 1.00 43.14 O ATOM 1371 CB SER A 524 3.509 3.384 -0.747 1.00 64.35 C ATOM 1372 OG SER A 524 3.499 3.646 0.648 1.00 74.44 O ATOM 0 H SER A 524 1.977 1.457 -0.160 1.00 70.03 H new ATOM 0 HA SER A 524 1.566 4.177 -1.228 1.00 72.12 H new ATOM 0 HB2 SER A 524 4.082 2.479 -0.949 1.00 64.35 H new ATOM 0 HB3 SER A 524 4.005 4.200 -1.273 1.00 64.35 H new ATOM 0 HG SER A 524 4.420 3.746 0.969 1.00 74.44 H new ATOM 1378 N ALA A 525 1.998 3.745 -3.650 1.00 60.35 N ATOM 1379 CA ALA A 525 1.934 3.469 -5.086 1.00 53.20 C ATOM 1380 C ALA A 525 3.197 2.787 -5.616 1.00 75.44 C ATOM 1381 O ALA A 525 3.122 1.978 -6.527 1.00 24.33 O ATOM 1382 CB ALA A 525 1.624 4.736 -5.875 1.00 52.34 C ATOM 0 H ALA A 525 1.962 4.737 -3.417 1.00 60.35 H new ATOM 0 HA ALA A 525 1.116 2.764 -5.230 1.00 53.20 H new ATOM 0 HB1 ALA A 525 1.582 4.501 -6.939 1.00 52.34 H new ATOM 0 HB2 ALA A 525 0.663 5.138 -5.554 1.00 52.34 H new ATOM 0 HB3 ALA A 525 2.405 5.476 -5.697 1.00 52.34 H new ATOM 1388 N GLU A 526 4.349 3.089 -5.027 1.00 23.42 N ATOM 1389 CA GLU A 526 5.603 2.473 -5.453 1.00 31.53 C ATOM 1390 C GLU A 526 5.587 0.973 -5.163 1.00 54.31 C ATOM 1391 O GLU A 526 6.006 0.161 -5.994 1.00 4.14 O ATOM 1392 CB GLU A 526 6.790 3.142 -4.760 1.00 24.23 C ATOM 1393 CG GLU A 526 8.160 2.633 -5.180 1.00 1.55 C ATOM 1394 CD GLU A 526 9.263 3.341 -4.440 1.00 24.15 C ATOM 1395 OE1 GLU A 526 9.606 4.485 -4.815 1.00 31.21 O ATOM 1396 OE2 GLU A 526 9.790 2.794 -3.447 1.00 74.14 O ATOM 0 H GLU A 526 4.442 3.752 -4.258 1.00 23.42 H new ATOM 0 HA GLU A 526 5.709 2.614 -6.529 1.00 31.53 H new ATOM 0 HB2 GLU A 526 6.745 4.214 -4.952 1.00 24.23 H new ATOM 0 HB3 GLU A 526 6.685 3.006 -3.684 1.00 24.23 H new ATOM 0 HG2 GLU A 526 8.224 1.561 -4.992 1.00 1.55 H new ATOM 0 HG3 GLU A 526 8.290 2.777 -6.253 1.00 1.55 H new ATOM 1403 N GLU A 527 5.063 0.614 -4.005 1.00 63.45 N ATOM 1404 CA GLU A 527 4.971 -0.772 -3.599 1.00 22.41 C ATOM 1405 C GLU A 527 3.896 -1.467 -4.419 1.00 62.52 C ATOM 1406 O GLU A 527 4.063 -2.595 -4.864 1.00 45.34 O ATOM 1407 CB GLU A 527 4.657 -0.860 -2.105 1.00 1.55 C ATOM 1408 CG GLU A 527 4.579 -2.276 -1.554 1.00 14.13 C ATOM 1409 CD GLU A 527 4.307 -2.287 -0.078 1.00 32.04 C ATOM 1410 OE1 GLU A 527 5.235 -2.027 0.707 1.00 71.44 O ATOM 1411 OE2 GLU A 527 3.157 -2.547 0.340 1.00 71.23 O ATOM 0 H GLU A 527 4.691 1.275 -3.323 1.00 63.45 H new ATOM 0 HA GLU A 527 5.925 -1.270 -3.775 1.00 22.41 H new ATOM 0 HB2 GLU A 527 5.421 -0.312 -1.554 1.00 1.55 H new ATOM 0 HB3 GLU A 527 3.708 -0.359 -1.917 1.00 1.55 H new ATOM 0 HG2 GLU A 527 3.793 -2.825 -2.072 1.00 14.13 H new ATOM 0 HG3 GLU A 527 5.516 -2.796 -1.755 1.00 14.13 H new ATOM 1418 N MET A 528 2.831 -0.753 -4.653 1.00 54.53 N ATOM 1419 CA MET A 528 1.705 -1.232 -5.426 1.00 73.11 C ATOM 1420 C MET A 528 2.155 -1.529 -6.872 1.00 64.11 C ATOM 1421 O MET A 528 1.876 -2.603 -7.416 1.00 55.31 O ATOM 1422 CB MET A 528 0.594 -0.167 -5.325 1.00 50.02 C ATOM 1423 CG MET A 528 -0.747 -0.473 -5.963 1.00 45.01 C ATOM 1424 SD MET A 528 -0.766 -0.299 -7.740 1.00 34.14 S ATOM 1425 CE MET A 528 -2.510 -0.507 -8.039 1.00 73.43 C ATOM 0 H MET A 528 2.713 0.199 -4.307 1.00 54.53 H new ATOM 0 HA MET A 528 1.309 -2.173 -5.043 1.00 73.11 H new ATOM 0 HB2 MET A 528 0.422 0.037 -4.268 1.00 50.02 H new ATOM 0 HB3 MET A 528 0.973 0.753 -5.769 1.00 50.02 H new ATOM 0 HG2 MET A 528 -1.036 -1.492 -5.705 1.00 45.01 H new ATOM 0 HG3 MET A 528 -1.500 0.189 -5.536 1.00 45.01 H new ATOM 0 HE1 MET A 528 -2.809 0.104 -8.891 1.00 73.43 H new ATOM 0 HE2 MET A 528 -2.720 -1.555 -8.253 1.00 73.43 H new ATOM 0 HE3 MET A 528 -3.070 -0.198 -7.156 1.00 73.43 H new ATOM 1435 N ASN A 529 2.939 -0.622 -7.436 1.00 52.04 N ATOM 1436 CA ASN A 529 3.472 -0.780 -8.790 1.00 61.43 C ATOM 1437 C ASN A 529 4.508 -1.901 -8.827 1.00 0.13 C ATOM 1438 O ASN A 529 4.667 -2.591 -9.837 1.00 42.41 O ATOM 1439 CB ASN A 529 4.082 0.544 -9.292 1.00 31.23 C ATOM 1440 CG ASN A 529 4.646 0.465 -10.711 1.00 64.52 C ATOM 1441 OD1 ASN A 529 3.928 0.665 -11.694 1.00 31.44 O ATOM 1442 ND2 ASN A 529 5.925 0.221 -10.831 1.00 64.50 N ATOM 0 H ASN A 529 3.225 0.242 -6.975 1.00 52.04 H new ATOM 0 HA ASN A 529 2.651 -1.049 -9.455 1.00 61.43 H new ATOM 0 HB2 ASN A 529 3.318 1.321 -9.257 1.00 31.23 H new ATOM 0 HB3 ASN A 529 4.877 0.848 -8.611 1.00 31.23 H new ATOM 0 HD21 ASN A 529 6.354 0.192 -11.756 1.00 64.50 H new ATOM 0 HD22 ASN A 529 6.494 0.059 -10.000 1.00 64.50 H new ATOM 1449 N PHE A 530 5.189 -2.086 -7.711 1.00 54.13 N ATOM 1450 CA PHE A 530 6.187 -3.130 -7.546 1.00 0.05 C ATOM 1451 C PHE A 530 5.512 -4.498 -7.612 1.00 42.55 C ATOM 1452 O PHE A 530 5.976 -5.401 -8.316 1.00 2.13 O ATOM 1453 CB PHE A 530 6.931 -2.923 -6.210 1.00 71.32 C ATOM 1454 CG PHE A 530 7.997 -3.932 -5.867 1.00 1.14 C ATOM 1455 CD1 PHE A 530 9.283 -3.802 -6.364 1.00 21.54 C ATOM 1456 CD2 PHE A 530 7.718 -4.989 -5.015 1.00 72.42 C ATOM 1457 CE1 PHE A 530 10.268 -4.710 -6.021 1.00 62.15 C ATOM 1458 CE2 PHE A 530 8.695 -5.899 -4.674 1.00 30.11 C ATOM 1459 CZ PHE A 530 9.973 -5.761 -5.176 1.00 31.43 C ATOM 0 H PHE A 530 5.063 -1.507 -6.881 1.00 54.13 H new ATOM 0 HA PHE A 530 6.921 -3.081 -8.351 1.00 0.05 H new ATOM 0 HB2 PHE A 530 7.390 -1.935 -6.225 1.00 71.32 H new ATOM 0 HB3 PHE A 530 6.194 -2.920 -5.407 1.00 71.32 H new ATOM 0 HD1 PHE A 530 9.519 -2.983 -7.027 1.00 21.54 H new ATOM 0 HD2 PHE A 530 6.722 -5.101 -4.613 1.00 72.42 H new ATOM 0 HE1 PHE A 530 11.268 -4.597 -6.414 1.00 62.15 H new ATOM 0 HE2 PHE A 530 8.460 -6.721 -4.014 1.00 30.11 H new ATOM 0 HZ PHE A 530 10.740 -6.473 -4.909 1.00 31.43 H new ATOM 1469 N VAL A 531 4.395 -4.627 -6.916 1.00 31.12 N ATOM 1470 CA VAL A 531 3.632 -5.862 -6.915 1.00 4.45 C ATOM 1471 C VAL A 531 3.033 -6.111 -8.302 1.00 23.42 C ATOM 1472 O VAL A 531 3.029 -7.246 -8.794 1.00 63.22 O ATOM 1473 CB VAL A 531 2.517 -5.863 -5.827 1.00 2.23 C ATOM 1474 CG1 VAL A 531 1.734 -7.174 -5.837 1.00 1.53 C ATOM 1475 CG2 VAL A 531 3.118 -5.632 -4.451 1.00 34.12 C ATOM 0 H VAL A 531 3.995 -3.886 -6.341 1.00 31.12 H new ATOM 0 HA VAL A 531 4.318 -6.673 -6.669 1.00 4.45 H new ATOM 0 HB VAL A 531 1.828 -5.051 -6.058 1.00 2.23 H new ATOM 0 HG11 VAL A 531 0.963 -7.143 -5.067 1.00 1.53 H new ATOM 0 HG12 VAL A 531 1.267 -7.311 -6.812 1.00 1.53 H new ATOM 0 HG13 VAL A 531 2.412 -8.004 -5.639 1.00 1.53 H new ATOM 0 HG21 VAL A 531 2.326 -5.636 -3.703 1.00 34.12 H new ATOM 0 HG22 VAL A 531 3.832 -6.425 -4.228 1.00 34.12 H new ATOM 0 HG23 VAL A 531 3.629 -4.669 -4.434 1.00 34.12 H new ATOM 1485 N LEU A 532 2.577 -5.049 -8.958 1.00 75.30 N ATOM 1486 CA LEU A 532 2.016 -5.176 -10.309 1.00 21.21 C ATOM 1487 C LEU A 532 3.087 -5.574 -11.325 1.00 34.24 C ATOM 1488 O LEU A 532 2.789 -6.176 -12.360 1.00 64.52 O ATOM 1489 CB LEU A 532 1.321 -3.893 -10.779 1.00 24.04 C ATOM 1490 CG LEU A 532 0.097 -3.424 -9.995 1.00 35.20 C ATOM 1491 CD1 LEU A 532 -0.512 -2.213 -10.678 1.00 24.21 C ATOM 1492 CD2 LEU A 532 -0.937 -4.536 -9.858 1.00 30.25 C ATOM 0 H LEU A 532 2.582 -4.099 -8.586 1.00 75.30 H new ATOM 0 HA LEU A 532 1.267 -5.965 -10.248 1.00 21.21 H new ATOM 0 HB2 LEU A 532 2.056 -3.089 -10.766 1.00 24.04 H new ATOM 0 HB3 LEU A 532 1.021 -4.034 -11.817 1.00 24.04 H new ATOM 0 HG LEU A 532 0.417 -3.149 -8.990 1.00 35.20 H new ATOM 0 HD11 LEU A 532 -1.385 -1.880 -10.117 1.00 24.21 H new ATOM 0 HD12 LEU A 532 0.223 -1.409 -10.716 1.00 24.21 H new ATOM 0 HD13 LEU A 532 -0.812 -2.479 -11.692 1.00 24.21 H new ATOM 0 HD21 LEU A 532 -1.795 -4.168 -9.295 1.00 30.25 H new ATOM 0 HD22 LEU A 532 -1.263 -4.854 -10.848 1.00 30.25 H new ATOM 0 HD23 LEU A 532 -0.494 -5.382 -9.333 1.00 30.25 H new