USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 872 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 545 THR OG1 : rot -27:sc= 1.12 USER MOD Set 1.2: A 583 LYS NZ :NH3+ -172:sc= 1.06 (180deg=0) USER MOD Set 2.1: A 515 SER OG : rot 57:sc= -0.515! USER MOD Set 2.2: A 517 SER OG : rot -11:sc= 1.1 USER MOD Set 2.3: A 649 SER OG : rot -145:sc= 1.29 USER MOD Set 3.1: A 506 THR OG1 : rot 13:sc= 0.586 USER MOD Set 3.2: A 639 HIS : no HD1:sc= -0.286 X(o=0.3,f=0.66) USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc= -0.884 K(o=-0.88,f=-0.25) USER MOD Single : A 521 MET CE :methyl -141:sc= -4.48! (180deg=-5.1!) USER MOD Single : A 524 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0109) USER MOD Single : A 528 THR OG1 : rot -119:sc= -1.58! USER MOD Single : A 529 SER OG : rot -170:sc= -0.784 USER MOD Single : A 534 ASN : amide:sc= -3.55! K(o=-3.6!,f=-0.55) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ -163:sc= -0.0701 (180deg=-0.378) USER MOD Single : A 541 THR OG1 : rot 37:sc= 0.59 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 CYS SG : rot 34:sc= 0.05 USER MOD Single : A 563 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.00046) USER MOD Single : A 564 ASN : amide:sc=-0.00395 K(o=-0.0039,f=-9.2!) USER MOD Single : A 569 LYS NZ :NH3+ 162:sc= 1.21 (180deg=1.09) USER MOD Single : A 570 THR OG1 : rot 160:sc= 1.3 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 TYR OH : rot 180:sc= -0.357 USER MOD Single : A 584 ASN : amide:sc= -2.65 K(o=-2.7,f=-0.45) USER MOD Single : A 585 LYS NZ :NH3+ -162:sc= 1.64 (180deg=1.26) USER MOD Single : A 586 THR OG1 : rot 27:sc= 1.02 USER MOD Single : A 640 THR OG1 : rot 47:sc= 0.213 USER MOD Single : A 641 LYS NZ :NH3+ -171:sc= 1.09 (180deg=0.726) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -4.641 -13.417 -4.018 1.00 64.22 N ATOM 29 CA GLY A 503 -4.668 -12.446 -3.012 1.00 11.41 C ATOM 30 C GLY A 503 -4.862 -11.106 -3.581 1.00 54.12 C ATOM 31 O GLY A 503 -4.415 -10.847 -4.684 1.00 3.13 O ATOM 0 HA2 GLY A 503 -5.472 -12.667 -2.310 1.00 11.41 H new ATOM 0 HA3 GLY A 503 -3.735 -12.475 -2.449 1.00 11.41 H new ATOM 35 N ILE A 504 -5.554 -10.281 -2.852 1.00 33.05 N ATOM 36 CA ILE A 504 -5.876 -8.934 -3.256 1.00 15.23 C ATOM 37 C ILE A 504 -5.360 -7.985 -2.188 1.00 43.14 C ATOM 38 O ILE A 504 -5.898 -7.941 -1.073 1.00 44.22 O ATOM 39 CB ILE A 504 -7.435 -8.721 -3.427 1.00 41.45 C ATOM 40 CG1 ILE A 504 -8.040 -9.522 -4.612 1.00 25.21 C ATOM 41 CG2 ILE A 504 -7.793 -7.244 -3.575 1.00 33.02 C ATOM 42 CD1 ILE A 504 -8.142 -11.021 -4.421 1.00 21.05 C ATOM 0 H ILE A 504 -5.923 -10.528 -1.934 1.00 33.05 H new ATOM 0 HA ILE A 504 -5.410 -8.741 -4.222 1.00 15.23 H new ATOM 0 HB ILE A 504 -7.876 -9.108 -2.508 1.00 41.45 H new ATOM 0 HG12 ILE A 504 -9.038 -9.133 -4.814 1.00 25.21 H new ATOM 0 HG13 ILE A 504 -7.437 -9.330 -5.499 1.00 25.21 H new ATOM 0 HG21 ILE A 504 -8.872 -7.141 -3.690 1.00 33.02 H new ATOM 0 HG22 ILE A 504 -7.469 -6.700 -2.687 1.00 33.02 H new ATOM 0 HG23 ILE A 504 -7.294 -6.835 -4.453 1.00 33.02 H new ATOM 0 HD11 ILE A 504 -8.578 -11.472 -5.312 1.00 21.05 H new ATOM 0 HD12 ILE A 504 -7.148 -11.435 -4.254 1.00 21.05 H new ATOM 0 HD13 ILE A 504 -8.774 -11.236 -3.559 1.00 21.05 H new ATOM 54 N PHE A 505 -4.292 -7.303 -2.486 1.00 31.55 N ATOM 55 CA PHE A 505 -3.724 -6.342 -1.564 1.00 2.11 C ATOM 56 C PHE A 505 -3.817 -4.945 -2.129 1.00 45.13 C ATOM 57 O PHE A 505 -3.308 -4.661 -3.212 1.00 25.13 O ATOM 58 CB PHE A 505 -2.281 -6.694 -1.223 1.00 52.12 C ATOM 59 CG PHE A 505 -2.147 -7.965 -0.434 1.00 42.03 C ATOM 60 CD1 PHE A 505 -2.073 -9.189 -1.069 1.00 40.50 C ATOM 61 CD2 PHE A 505 -2.095 -7.929 0.944 1.00 31.52 C ATOM 62 CE1 PHE A 505 -1.943 -10.350 -0.347 1.00 0.04 C ATOM 63 CE2 PHE A 505 -1.968 -9.088 1.672 1.00 34.45 C ATOM 64 CZ PHE A 505 -1.891 -10.299 1.027 1.00 43.45 C ATOM 0 H PHE A 505 -3.787 -7.391 -3.368 1.00 31.55 H new ATOM 0 HA PHE A 505 -4.302 -6.378 -0.641 1.00 2.11 H new ATOM 0 HB2 PHE A 505 -1.710 -6.787 -2.147 1.00 52.12 H new ATOM 0 HB3 PHE A 505 -1.839 -5.875 -0.656 1.00 52.12 H new ATOM 0 HD1 PHE A 505 -2.118 -9.234 -2.147 1.00 40.50 H new ATOM 0 HD2 PHE A 505 -2.155 -6.980 1.456 1.00 31.52 H new ATOM 0 HE1 PHE A 505 -1.882 -11.300 -0.856 1.00 0.04 H new ATOM 0 HE2 PHE A 505 -1.929 -9.047 2.751 1.00 34.45 H new ATOM 0 HZ PHE A 505 -1.790 -11.210 1.598 1.00 43.45 H new ATOM 74 N THR A 506 -4.471 -4.087 -1.414 1.00 63.41 N ATOM 75 CA THR A 506 -4.686 -2.747 -1.849 1.00 24.02 C ATOM 76 C THR A 506 -4.700 -1.851 -0.622 1.00 74.03 C ATOM 77 O THR A 506 -4.822 -2.356 0.511 1.00 63.24 O ATOM 78 CB THR A 506 -6.048 -2.644 -2.627 1.00 2.14 C ATOM 79 OG1 THR A 506 -6.224 -1.348 -3.209 1.00 4.31 O ATOM 80 CG2 THR A 506 -7.240 -2.954 -1.734 1.00 2.23 C ATOM 0 H THR A 506 -4.875 -4.300 -0.502 1.00 63.41 H new ATOM 0 HA THR A 506 -3.891 -2.435 -2.526 1.00 24.02 H new ATOM 0 HB THR A 506 -6.001 -3.391 -3.420 1.00 2.14 H new ATOM 0 HG1 THR A 506 -5.375 -0.859 -3.182 1.00 4.31 H new ATOM 0 HG21 THR A 506 -8.160 -2.871 -2.313 1.00 2.23 H new ATOM 0 HG22 THR A 506 -7.148 -3.967 -1.343 1.00 2.23 H new ATOM 0 HG23 THR A 506 -7.268 -2.246 -0.905 1.00 2.23 H new ATOM 88 N PHE A 507 -4.543 -0.568 -0.818 1.00 14.43 N ATOM 89 CA PHE A 507 -4.617 0.361 0.273 1.00 51.43 C ATOM 90 C PHE A 507 -6.039 0.764 0.540 1.00 75.02 C ATOM 91 O PHE A 507 -6.878 0.751 -0.360 1.00 63.23 O ATOM 92 CB PHE A 507 -3.751 1.591 0.041 1.00 13.04 C ATOM 93 CG PHE A 507 -2.304 1.365 0.307 1.00 32.24 C ATOM 94 CD1 PHE A 507 -1.818 1.467 1.597 1.00 2.24 C ATOM 95 CD2 PHE A 507 -1.432 1.052 -0.712 1.00 14.34 C ATOM 96 CE1 PHE A 507 -0.490 1.264 1.866 1.00 74.15 C ATOM 97 CE2 PHE A 507 -0.097 0.846 -0.451 1.00 30.32 C ATOM 98 CZ PHE A 507 0.374 0.953 0.842 1.00 71.40 C ATOM 0 H PHE A 507 -4.362 -0.144 -1.728 1.00 14.43 H new ATOM 0 HA PHE A 507 -4.227 -0.152 1.152 1.00 51.43 H new ATOM 0 HB2 PHE A 507 -3.874 1.921 -0.990 1.00 13.04 H new ATOM 0 HB3 PHE A 507 -4.106 2.400 0.679 1.00 13.04 H new ATOM 0 HD1 PHE A 507 -2.494 1.710 2.403 1.00 2.24 H new ATOM 0 HD2 PHE A 507 -1.799 0.968 -1.724 1.00 14.34 H new ATOM 0 HE1 PHE A 507 -0.123 1.348 2.878 1.00 74.15 H new ATOM 0 HE2 PHE A 507 0.581 0.601 -1.256 1.00 30.32 H new ATOM 0 HZ PHE A 507 1.422 0.792 1.050 1.00 71.40 H new ATOM 108 N GLU A 508 -6.314 1.035 1.791 1.00 12.44 N ATOM 109 CA GLU A 508 -7.608 1.510 2.225 1.00 71.52 C ATOM 110 C GLU A 508 -7.625 3.037 2.025 1.00 24.10 C ATOM 111 O GLU A 508 -8.679 3.677 1.909 1.00 4.44 O ATOM 112 CB GLU A 508 -7.755 1.147 3.720 1.00 35.21 C ATOM 113 CG GLU A 508 -9.162 0.823 4.216 1.00 23.41 C ATOM 114 CD GLU A 508 -10.178 1.903 3.997 1.00 5.02 C ATOM 115 OE1 GLU A 508 -10.162 2.921 4.720 1.00 22.12 O ATOM 116 OE2 GLU A 508 -11.051 1.727 3.111 1.00 1.20 O ATOM 0 H GLU A 508 -5.638 0.931 2.548 1.00 12.44 H new ATOM 0 HA GLU A 508 -8.430 1.064 1.665 1.00 71.52 H new ATOM 0 HB2 GLU A 508 -7.117 0.288 3.925 1.00 35.21 H new ATOM 0 HB3 GLU A 508 -7.370 1.978 4.311 1.00 35.21 H new ATOM 0 HG2 GLU A 508 -9.506 -0.084 3.719 1.00 23.41 H new ATOM 0 HG3 GLU A 508 -9.113 0.603 5.282 1.00 23.41 H new ATOM 123 N GLU A 509 -6.438 3.594 1.944 1.00 23.00 N ATOM 124 CA GLU A 509 -6.251 5.005 1.794 1.00 23.25 C ATOM 125 C GLU A 509 -5.312 5.236 0.626 1.00 43.23 C ATOM 126 O GLU A 509 -4.203 4.723 0.641 1.00 1.54 O ATOM 127 CB GLU A 509 -5.557 5.555 3.027 1.00 32.14 C ATOM 128 CG GLU A 509 -6.139 6.829 3.563 1.00 62.40 C ATOM 129 CD GLU A 509 -7.551 6.657 4.071 1.00 45.25 C ATOM 130 OE1 GLU A 509 -7.726 6.215 5.226 1.00 2.22 O ATOM 131 OE2 GLU A 509 -8.514 6.961 3.332 1.00 41.22 O ATOM 0 H GLU A 509 -5.567 3.065 1.982 1.00 23.00 H new ATOM 0 HA GLU A 509 -7.217 5.486 1.644 1.00 23.25 H new ATOM 0 HB2 GLU A 509 -5.589 4.799 3.812 1.00 32.14 H new ATOM 0 HB3 GLU A 509 -4.507 5.724 2.790 1.00 32.14 H new ATOM 0 HG2 GLU A 509 -5.509 7.199 4.372 1.00 62.40 H new ATOM 0 HG3 GLU A 509 -6.129 7.586 2.779 1.00 62.40 H new ATOM 138 N PRO A 510 -5.729 5.954 -0.409 1.00 74.41 N ATOM 139 CA PRO A 510 -4.816 6.321 -1.480 1.00 13.11 C ATOM 140 C PRO A 510 -3.970 7.535 -1.062 1.00 24.54 C ATOM 141 O PRO A 510 -2.862 7.744 -1.543 1.00 12.23 O ATOM 142 CB PRO A 510 -5.750 6.676 -2.641 1.00 32.03 C ATOM 143 CG PRO A 510 -7.034 7.097 -1.998 1.00 31.01 C ATOM 144 CD PRO A 510 -7.112 6.401 -0.661 1.00 54.14 C ATOM 0 HA PRO A 510 -4.110 5.531 -1.737 1.00 13.11 H new ATOM 0 HB2 PRO A 510 -5.333 7.478 -3.250 1.00 32.03 H new ATOM 0 HB3 PRO A 510 -5.902 5.821 -3.300 1.00 32.03 H new ATOM 0 HG2 PRO A 510 -7.064 8.179 -1.871 1.00 31.01 H new ATOM 0 HG3 PRO A 510 -7.885 6.826 -2.623 1.00 31.01 H new ATOM 0 HD2 PRO A 510 -7.462 7.076 0.120 1.00 54.14 H new ATOM 0 HD3 PRO A 510 -7.804 5.560 -0.689 1.00 54.14 H new ATOM 152 N VAL A 511 -4.511 8.310 -0.127 1.00 13.01 N ATOM 153 CA VAL A 511 -3.899 9.523 0.396 1.00 2.23 C ATOM 154 C VAL A 511 -4.195 9.617 1.872 1.00 44.14 C ATOM 155 O VAL A 511 -5.351 9.507 2.277 1.00 32.22 O ATOM 156 CB VAL A 511 -4.469 10.804 -0.295 1.00 30.32 C ATOM 157 CG1 VAL A 511 -3.933 12.064 0.351 1.00 25.32 C ATOM 158 CG2 VAL A 511 -4.147 10.812 -1.762 1.00 22.22 C ATOM 0 H VAL A 511 -5.414 8.104 0.299 1.00 13.01 H new ATOM 0 HA VAL A 511 -2.828 9.470 0.202 1.00 2.23 H new ATOM 0 HB VAL A 511 -5.552 10.783 -0.170 1.00 30.32 H new ATOM 0 HG11 VAL A 511 -4.349 12.936 -0.153 1.00 25.32 H new ATOM 0 HG12 VAL A 511 -4.217 12.083 1.403 1.00 25.32 H new ATOM 0 HG13 VAL A 511 -2.846 12.081 0.269 1.00 25.32 H new ATOM 0 HG21 VAL A 511 -4.555 11.714 -2.219 1.00 22.22 H new ATOM 0 HG22 VAL A 511 -3.066 10.794 -1.897 1.00 22.22 H new ATOM 0 HG23 VAL A 511 -4.587 9.934 -2.236 1.00 22.22 H new ATOM 168 N THR A 512 -3.180 9.822 2.657 1.00 70.22 N ATOM 169 CA THR A 512 -3.340 9.974 4.065 1.00 33.22 C ATOM 170 C THR A 512 -2.629 11.260 4.493 1.00 15.32 C ATOM 171 O THR A 512 -1.603 11.638 3.905 1.00 45.41 O ATOM 172 CB THR A 512 -2.792 8.727 4.863 1.00 34.35 C ATOM 173 OG1 THR A 512 -3.160 8.814 6.244 1.00 50.44 O ATOM 174 CG2 THR A 512 -1.279 8.630 4.780 1.00 42.32 C ATOM 0 H THR A 512 -2.215 9.888 2.334 1.00 70.22 H new ATOM 0 HA THR A 512 -4.403 10.039 4.298 1.00 33.22 H new ATOM 0 HB THR A 512 -3.234 7.841 4.408 1.00 34.35 H new ATOM 0 HG1 THR A 512 -2.814 8.033 6.724 1.00 50.44 H new ATOM 0 HG21 THR A 512 -0.939 7.760 5.341 1.00 42.32 H new ATOM 0 HG22 THR A 512 -0.977 8.530 3.737 1.00 42.32 H new ATOM 0 HG23 THR A 512 -0.833 9.531 5.202 1.00 42.32 H new ATOM 182 N HIS A 513 -3.201 11.959 5.430 1.00 22.53 N ATOM 183 CA HIS A 513 -2.579 13.137 5.984 1.00 40.25 C ATOM 184 C HIS A 513 -2.121 12.834 7.366 1.00 61.31 C ATOM 185 O HIS A 513 -2.912 12.429 8.213 1.00 3.15 O ATOM 186 CB HIS A 513 -3.508 14.359 5.981 1.00 54.24 C ATOM 187 CG HIS A 513 -3.639 15.019 4.651 1.00 24.33 C ATOM 188 ND1 HIS A 513 -4.587 14.698 3.721 1.00 40.43 N ATOM 189 CD2 HIS A 513 -2.902 16.007 4.104 1.00 30.22 C ATOM 190 CE1 HIS A 513 -4.404 15.472 2.655 1.00 60.00 C ATOM 191 NE2 HIS A 513 -3.388 16.294 2.838 1.00 60.11 N ATOM 0 H HIS A 513 -4.110 11.733 5.834 1.00 22.53 H new ATOM 0 HA HIS A 513 -1.731 13.398 5.351 1.00 40.25 H new ATOM 0 HB2 HIS A 513 -4.497 14.051 6.321 1.00 54.24 H new ATOM 0 HB3 HIS A 513 -3.135 15.087 6.701 1.00 54.24 H new ATOM 0 HD2 HIS A 513 -2.065 16.498 4.578 1.00 30.22 H new ATOM 0 HE1 HIS A 513 -5.006 15.433 1.759 1.00 60.00 H new ATOM 0 HE2 HIS A 513 -3.035 16.993 2.185 1.00 60.11 H new ATOM 199 N VAL A 514 -0.867 12.975 7.586 1.00 54.24 N ATOM 200 CA VAL A 514 -0.308 12.713 8.871 1.00 1.51 C ATOM 201 C VAL A 514 0.291 13.990 9.383 1.00 60.21 C ATOM 202 O VAL A 514 0.715 14.848 8.586 1.00 53.42 O ATOM 203 CB VAL A 514 0.752 11.564 8.844 1.00 71.12 C ATOM 204 CG1 VAL A 514 0.144 10.280 8.293 1.00 70.34 C ATOM 205 CG2 VAL A 514 1.988 11.948 8.049 1.00 55.13 C ATOM 0 H VAL A 514 -0.192 13.276 6.883 1.00 54.24 H new ATOM 0 HA VAL A 514 -1.098 12.367 9.537 1.00 1.51 H new ATOM 0 HB VAL A 514 1.064 11.392 9.874 1.00 71.12 H new ATOM 0 HG11 VAL A 514 0.900 9.494 8.284 1.00 70.34 H new ATOM 0 HG12 VAL A 514 -0.691 9.973 8.923 1.00 70.34 H new ATOM 0 HG13 VAL A 514 -0.212 10.453 7.278 1.00 70.34 H new ATOM 0 HG21 VAL A 514 2.697 11.120 8.057 1.00 55.13 H new ATOM 0 HG22 VAL A 514 1.704 12.173 7.021 1.00 55.13 H new ATOM 0 HG23 VAL A 514 2.451 12.827 8.498 1.00 55.13 H new ATOM 215 N SER A 515 0.305 14.151 10.658 1.00 51.41 N ATOM 216 CA SER A 515 0.818 15.341 11.226 1.00 13.53 C ATOM 217 C SER A 515 2.323 15.215 11.343 1.00 33.21 C ATOM 218 O SER A 515 2.842 14.117 11.463 1.00 25.15 O ATOM 219 CB SER A 515 0.200 15.554 12.593 1.00 13.54 C ATOM 220 OG SER A 515 0.235 16.926 12.944 1.00 54.44 O ATOM 0 H SER A 515 -0.037 13.465 11.331 1.00 51.41 H new ATOM 0 HA SER A 515 0.575 16.196 10.595 1.00 13.53 H new ATOM 0 HB2 SER A 515 -0.830 15.199 12.592 1.00 13.54 H new ATOM 0 HB3 SER A 515 0.739 14.968 13.338 1.00 13.54 H new ATOM 0 HG SER A 515 -0.227 17.451 12.257 1.00 54.44 H new ATOM 226 N GLU A 516 3.019 16.318 11.313 1.00 3.43 N ATOM 227 CA GLU A 516 4.456 16.303 11.426 1.00 4.32 C ATOM 228 C GLU A 516 4.892 15.917 12.853 1.00 30.44 C ATOM 229 O GLU A 516 5.982 15.408 13.060 1.00 1.54 O ATOM 230 CB GLU A 516 5.054 17.660 11.034 1.00 54.33 C ATOM 231 CG GLU A 516 6.578 17.652 11.072 1.00 64.32 C ATOM 232 CD GLU A 516 7.181 18.975 10.794 1.00 70.34 C ATOM 233 OE1 GLU A 516 7.349 19.786 11.722 1.00 52.43 O ATOM 234 OE2 GLU A 516 7.501 19.254 9.629 1.00 30.21 O ATOM 0 H GLU A 516 2.612 17.248 11.210 1.00 3.43 H new ATOM 0 HA GLU A 516 4.835 15.550 10.735 1.00 4.32 H new ATOM 0 HB2 GLU A 516 4.719 17.927 10.032 1.00 54.33 H new ATOM 0 HB3 GLU A 516 4.680 18.429 11.710 1.00 54.33 H new ATOM 0 HG2 GLU A 516 6.908 17.310 12.053 1.00 64.32 H new ATOM 0 HG3 GLU A 516 6.948 16.932 10.342 1.00 64.32 H new ATOM 241 N SER A 517 4.006 16.083 13.807 1.00 12.34 N ATOM 242 CA SER A 517 4.341 15.840 15.202 1.00 61.21 C ATOM 243 C SER A 517 4.053 14.398 15.580 1.00 42.21 C ATOM 244 O SER A 517 4.054 14.036 16.750 1.00 42.53 O ATOM 245 CB SER A 517 3.550 16.792 16.099 1.00 45.34 C ATOM 246 OG SER A 517 3.813 18.143 15.749 1.00 60.52 O ATOM 0 H SER A 517 3.045 16.386 13.648 1.00 12.34 H new ATOM 0 HA SER A 517 5.407 16.022 15.342 1.00 61.21 H new ATOM 0 HB2 SER A 517 2.484 16.587 16.005 1.00 45.34 H new ATOM 0 HB3 SER A 517 3.816 16.623 17.142 1.00 45.34 H new ATOM 0 HG SER A 517 4.573 18.179 15.132 1.00 60.52 H new ATOM 252 N ILE A 518 3.811 13.584 14.596 1.00 53.34 N ATOM 253 CA ILE A 518 3.523 12.212 14.831 1.00 74.25 C ATOM 254 C ILE A 518 4.840 11.436 14.909 1.00 21.42 C ATOM 255 O ILE A 518 5.865 11.875 14.350 1.00 13.54 O ATOM 256 CB ILE A 518 2.605 11.659 13.715 1.00 44.30 C ATOM 257 CG1 ILE A 518 1.879 10.428 14.184 1.00 73.53 C ATOM 258 CG2 ILE A 518 3.386 11.341 12.436 1.00 4.11 C ATOM 259 CD1 ILE A 518 0.835 10.004 13.222 1.00 24.05 C ATOM 0 H ILE A 518 3.809 13.857 13.613 1.00 53.34 H new ATOM 0 HA ILE A 518 2.992 12.098 15.776 1.00 74.25 H new ATOM 0 HB ILE A 518 1.880 12.440 13.484 1.00 44.30 H new ATOM 0 HG12 ILE A 518 2.593 9.617 14.326 1.00 73.53 H new ATOM 0 HG13 ILE A 518 1.422 10.623 15.154 1.00 73.53 H new ATOM 0 HG21 ILE A 518 2.703 10.955 11.679 1.00 4.11 H new ATOM 0 HG22 ILE A 518 3.863 12.248 12.066 1.00 4.11 H new ATOM 0 HG23 ILE A 518 4.148 10.592 12.652 1.00 4.11 H new ATOM 0 HD11 ILE A 518 0.334 9.112 13.598 1.00 24.05 H new ATOM 0 HD12 ILE A 518 0.106 10.805 13.100 1.00 24.05 H new ATOM 0 HD13 ILE A 518 1.296 9.783 12.259 1.00 24.05 H new ATOM 271 N GLY A 519 4.836 10.341 15.615 1.00 71.24 N ATOM 272 CA GLY A 519 6.024 9.547 15.710 1.00 70.53 C ATOM 273 C GLY A 519 6.053 8.513 14.629 1.00 32.50 C ATOM 274 O GLY A 519 6.910 8.538 13.734 1.00 53.33 O ATOM 0 H GLY A 519 4.031 9.982 16.128 1.00 71.24 H new ATOM 0 HA2 GLY A 519 6.903 10.187 15.632 1.00 70.53 H new ATOM 0 HA3 GLY A 519 6.067 9.063 16.686 1.00 70.53 H new ATOM 278 N ILE A 520 5.100 7.626 14.694 1.00 42.22 N ATOM 279 CA ILE A 520 4.941 6.575 13.730 1.00 43.53 C ATOM 280 C ILE A 520 3.591 6.727 13.102 1.00 3.54 C ATOM 281 O ILE A 520 2.575 6.744 13.808 1.00 72.13 O ATOM 282 CB ILE A 520 5.020 5.154 14.382 1.00 4.42 C ATOM 283 CG1 ILE A 520 6.406 4.877 14.972 1.00 13.20 C ATOM 284 CG2 ILE A 520 4.637 4.057 13.385 1.00 21.25 C ATOM 285 CD1 ILE A 520 7.521 4.831 13.949 1.00 72.41 C ATOM 0 H ILE A 520 4.398 7.614 15.434 1.00 42.22 H new ATOM 0 HA ILE A 520 5.748 6.655 13.002 1.00 43.53 H new ATOM 0 HB ILE A 520 4.297 5.142 15.198 1.00 4.42 H new ATOM 0 HG12 ILE A 520 6.635 5.648 15.708 1.00 13.20 H new ATOM 0 HG13 ILE A 520 6.378 3.926 15.505 1.00 13.20 H new ATOM 0 HG21 ILE A 520 4.703 3.084 13.872 1.00 21.25 H new ATOM 0 HG22 ILE A 520 3.617 4.221 13.038 1.00 21.25 H new ATOM 0 HG23 ILE A 520 5.318 4.084 12.535 1.00 21.25 H new ATOM 0 HD11 ILE A 520 8.467 4.630 14.451 1.00 72.41 H new ATOM 0 HD12 ILE A 520 7.319 4.041 13.226 1.00 72.41 H new ATOM 0 HD13 ILE A 520 7.581 5.789 13.432 1.00 72.41 H new ATOM 297 N MET A 521 3.558 6.882 11.820 1.00 12.53 N ATOM 298 CA MET A 521 2.302 6.909 11.156 1.00 62.33 C ATOM 299 C MET A 521 2.034 5.511 10.670 1.00 54.01 C ATOM 300 O MET A 521 2.968 4.820 10.229 1.00 73.32 O ATOM 301 CB MET A 521 2.233 7.986 10.029 1.00 62.11 C ATOM 302 CG MET A 521 3.013 7.727 8.738 1.00 62.21 C ATOM 303 SD MET A 521 2.170 6.573 7.631 1.00 54.55 S ATOM 304 CE MET A 521 3.207 6.658 6.185 1.00 35.43 C ATOM 0 H MET A 521 4.376 6.990 11.220 1.00 12.53 H new ATOM 0 HA MET A 521 1.515 7.216 11.844 1.00 62.33 H new ATOM 0 HB2 MET A 521 1.185 8.125 9.764 1.00 62.11 H new ATOM 0 HB3 MET A 521 2.584 8.930 10.447 1.00 62.11 H new ATOM 0 HG2 MET A 521 3.171 8.672 8.218 1.00 62.21 H new ATOM 0 HG3 MET A 521 3.998 7.331 8.987 1.00 62.21 H new ATOM 0 HE1 MET A 521 2.586 6.633 5.290 1.00 35.43 H new ATOM 0 HE2 MET A 521 3.781 7.585 6.203 1.00 35.43 H new ATOM 0 HE3 MET A 521 3.890 5.809 6.177 1.00 35.43 H new ATOM 314 N GLU A 522 0.824 5.070 10.853 1.00 30.21 N ATOM 315 CA GLU A 522 0.407 3.752 10.472 1.00 33.12 C ATOM 316 C GLU A 522 -0.782 3.835 9.556 1.00 15.12 C ATOM 317 O GLU A 522 -1.689 4.647 9.773 1.00 1.40 O ATOM 318 CB GLU A 522 0.042 2.932 11.699 1.00 4.41 C ATOM 319 CG GLU A 522 1.211 2.591 12.585 1.00 45.11 C ATOM 320 CD GLU A 522 0.815 1.739 13.744 1.00 3.44 C ATOM 321 OE1 GLU A 522 0.375 2.290 14.783 1.00 71.11 O ATOM 322 OE2 GLU A 522 0.946 0.502 13.662 1.00 14.25 O ATOM 0 H GLU A 522 0.084 5.628 11.280 1.00 30.21 H new ATOM 0 HA GLU A 522 1.234 3.266 9.954 1.00 33.12 H new ATOM 0 HB2 GLU A 522 -0.694 3.483 12.284 1.00 4.41 H new ATOM 0 HB3 GLU A 522 -0.436 2.007 11.375 1.00 4.41 H new ATOM 0 HG2 GLU A 522 1.969 2.072 11.998 1.00 45.11 H new ATOM 0 HG3 GLU A 522 1.666 3.511 12.952 1.00 45.11 H new ATOM 329 N VAL A 523 -0.779 3.019 8.532 1.00 74.15 N ATOM 330 CA VAL A 523 -1.862 2.993 7.562 1.00 42.42 C ATOM 331 C VAL A 523 -2.330 1.567 7.383 1.00 70.12 C ATOM 332 O VAL A 523 -1.508 0.646 7.374 1.00 53.32 O ATOM 333 CB VAL A 523 -1.400 3.556 6.198 1.00 11.11 C ATOM 334 CG1 VAL A 523 -2.549 3.655 5.196 1.00 22.13 C ATOM 335 CG2 VAL A 523 -0.724 4.890 6.392 1.00 24.35 C ATOM 0 H VAL A 523 -0.031 2.353 8.341 1.00 74.15 H new ATOM 0 HA VAL A 523 -2.676 3.616 7.932 1.00 42.42 H new ATOM 0 HB VAL A 523 -0.680 2.856 5.774 1.00 11.11 H new ATOM 0 HG11 VAL A 523 -2.176 4.055 4.253 1.00 22.13 H new ATOM 0 HG12 VAL A 523 -2.971 2.664 5.028 1.00 22.13 H new ATOM 0 HG13 VAL A 523 -3.320 4.316 5.591 1.00 22.13 H new ATOM 0 HG21 VAL A 523 -0.402 5.279 5.426 1.00 24.35 H new ATOM 0 HG22 VAL A 523 -1.424 5.589 6.850 1.00 24.35 H new ATOM 0 HG23 VAL A 523 0.143 4.768 7.041 1.00 24.35 H new ATOM 345 N LYS A 524 -3.625 1.392 7.255 1.00 30.55 N ATOM 346 CA LYS A 524 -4.226 0.089 7.117 1.00 23.55 C ATOM 347 C LYS A 524 -4.248 -0.411 5.681 1.00 33.42 C ATOM 348 O LYS A 524 -4.579 0.317 4.731 1.00 52.21 O ATOM 349 CB LYS A 524 -5.622 0.055 7.745 1.00 55.45 C ATOM 350 CG LYS A 524 -5.614 0.145 9.269 1.00 21.22 C ATOM 351 CD LYS A 524 -4.942 -1.077 9.870 1.00 75.11 C ATOM 352 CE LYS A 524 -4.953 -1.117 11.381 1.00 5.02 C ATOM 353 NZ LYS A 524 -6.304 -1.173 11.976 1.00 71.53 N ATOM 0 H LYS A 524 -4.297 2.160 7.244 1.00 30.55 H new ATOM 0 HA LYS A 524 -3.588 -0.604 7.666 1.00 23.55 H new ATOM 0 HB2 LYS A 524 -6.211 0.880 7.345 1.00 55.45 H new ATOM 0 HB3 LYS A 524 -6.122 -0.867 7.447 1.00 55.45 H new ATOM 0 HG2 LYS A 524 -5.089 1.047 9.583 1.00 21.22 H new ATOM 0 HG3 LYS A 524 -6.636 0.225 9.640 1.00 21.22 H new ATOM 0 HD2 LYS A 524 -5.437 -1.971 9.492 1.00 75.11 H new ATOM 0 HD3 LYS A 524 -3.909 -1.114 9.525 1.00 75.11 H new ATOM 0 HE2 LYS A 524 -4.385 -1.986 11.714 1.00 5.02 H new ATOM 0 HE3 LYS A 524 -4.438 -0.235 11.760 1.00 5.02 H new ATOM 0 HZ1 LYS A 524 -6.225 -1.266 13.009 1.00 71.53 H new ATOM 0 HZ2 LYS A 524 -6.821 -0.301 11.746 1.00 71.53 H new ATOM 0 HZ3 LYS A 524 -6.818 -1.992 11.593 1.00 71.53 H new ATOM 367 N VAL A 525 -3.867 -1.648 5.547 1.00 65.20 N ATOM 368 CA VAL A 525 -3.830 -2.345 4.269 1.00 51.04 C ATOM 369 C VAL A 525 -4.922 -3.391 4.294 1.00 23.24 C ATOM 370 O VAL A 525 -5.210 -3.940 5.357 1.00 21.32 O ATOM 371 CB VAL A 525 -2.494 -3.109 4.083 1.00 14.11 C ATOM 372 CG1 VAL A 525 -2.268 -3.523 2.632 1.00 3.43 C ATOM 373 CG2 VAL A 525 -1.323 -2.342 4.627 1.00 5.11 C ATOM 0 H VAL A 525 -3.564 -2.224 6.333 1.00 65.20 H new ATOM 0 HA VAL A 525 -3.948 -1.615 3.468 1.00 51.04 H new ATOM 0 HB VAL A 525 -2.577 -4.024 4.669 1.00 14.11 H new ATOM 0 HG11 VAL A 525 -1.320 -4.055 2.549 1.00 3.43 H new ATOM 0 HG12 VAL A 525 -3.080 -4.175 2.309 1.00 3.43 H new ATOM 0 HG13 VAL A 525 -2.242 -2.635 2.000 1.00 3.43 H new ATOM 0 HG21 VAL A 525 -0.409 -2.916 4.474 1.00 5.11 H new ATOM 0 HG22 VAL A 525 -1.242 -1.386 4.109 1.00 5.11 H new ATOM 0 HG23 VAL A 525 -1.467 -2.166 5.693 1.00 5.11 H new ATOM 383 N LEU A 526 -5.522 -3.668 3.165 1.00 75.41 N ATOM 384 CA LEU A 526 -6.540 -4.689 3.107 1.00 10.02 C ATOM 385 C LEU A 526 -5.900 -6.023 2.865 1.00 12.33 C ATOM 386 O LEU A 526 -5.000 -6.154 2.021 1.00 23.11 O ATOM 387 CB LEU A 526 -7.602 -4.425 2.028 1.00 31.40 C ATOM 388 CG LEU A 526 -8.499 -3.188 2.191 1.00 0.22 C ATOM 389 CD1 LEU A 526 -9.181 -3.167 3.537 1.00 73.45 C ATOM 390 CD2 LEU A 526 -7.743 -1.920 1.970 1.00 73.24 C ATOM 0 H LEU A 526 -5.326 -3.205 2.277 1.00 75.41 H new ATOM 0 HA LEU A 526 -7.055 -4.677 4.068 1.00 10.02 H new ATOM 0 HB2 LEU A 526 -7.091 -4.344 1.069 1.00 31.40 H new ATOM 0 HB3 LEU A 526 -8.248 -5.301 1.972 1.00 31.40 H new ATOM 0 HG LEU A 526 -9.268 -3.258 1.422 1.00 0.22 H new ATOM 0 HD11 LEU A 526 -9.806 -2.277 3.614 1.00 73.45 H new ATOM 0 HD12 LEU A 526 -9.801 -4.057 3.645 1.00 73.45 H new ATOM 0 HD13 LEU A 526 -8.429 -3.151 4.326 1.00 73.45 H new ATOM 0 HD21 LEU A 526 -8.414 -1.070 2.095 1.00 73.24 H new ATOM 0 HD22 LEU A 526 -6.930 -1.850 2.693 1.00 73.24 H new ATOM 0 HD23 LEU A 526 -7.332 -1.913 0.961 1.00 73.24 H new ATOM 402 N ARG A 527 -6.345 -6.999 3.595 1.00 30.40 N ATOM 403 CA ARG A 527 -5.814 -8.326 3.488 1.00 21.13 C ATOM 404 C ARG A 527 -6.474 -9.073 2.334 1.00 75.21 C ATOM 405 O ARG A 527 -7.640 -8.828 2.000 1.00 54.01 O ATOM 406 CB ARG A 527 -6.039 -9.118 4.785 1.00 24.50 C ATOM 407 CG ARG A 527 -5.408 -10.505 4.760 1.00 14.42 C ATOM 408 CD ARG A 527 -5.901 -11.384 5.870 1.00 22.10 C ATOM 409 NE ARG A 527 -7.328 -11.699 5.727 1.00 24.43 N ATOM 410 CZ ARG A 527 -7.978 -12.653 6.406 1.00 20.23 C ATOM 411 NH1 ARG A 527 -7.364 -13.318 7.390 1.00 53.50 N ATOM 412 NH2 ARG A 527 -9.255 -12.914 6.121 1.00 2.13 N ATOM 0 H ARG A 527 -7.090 -6.899 4.285 1.00 30.40 H new ATOM 0 HA ARG A 527 -4.743 -8.236 3.305 1.00 21.13 H new ATOM 0 HB2 ARG A 527 -5.628 -8.554 5.623 1.00 24.50 H new ATOM 0 HB3 ARG A 527 -7.110 -9.217 4.961 1.00 24.50 H new ATOM 0 HG2 ARG A 527 -5.623 -10.980 3.803 1.00 14.42 H new ATOM 0 HG3 ARG A 527 -4.325 -10.408 4.832 1.00 14.42 H new ATOM 0 HD2 ARG A 527 -5.325 -12.309 5.884 1.00 22.10 H new ATOM 0 HD3 ARG A 527 -5.733 -10.889 6.827 1.00 22.10 H new ATOM 0 HE ARG A 527 -7.866 -11.148 5.058 1.00 24.43 H new ATOM 0 HH11 ARG A 527 -6.396 -13.100 7.627 1.00 53.50 H new ATOM 0 HH12 ARG A 527 -7.863 -14.044 7.904 1.00 53.50 H new ATOM 0 HH21 ARG A 527 -9.732 -12.388 5.389 1.00 2.13 H new ATOM 0 HH22 ARG A 527 -9.754 -13.640 6.635 1.00 2.13 H new ATOM 426 N THR A 528 -5.716 -9.978 1.765 1.00 4.35 N ATOM 427 CA THR A 528 -6.124 -10.889 0.734 1.00 21.12 C ATOM 428 C THR A 528 -7.425 -11.639 1.068 1.00 4.45 C ATOM 429 O THR A 528 -7.730 -11.924 2.235 1.00 51.02 O ATOM 430 CB THR A 528 -4.985 -11.932 0.495 1.00 72.41 C ATOM 431 OG1 THR A 528 -5.435 -12.985 -0.337 1.00 73.42 O ATOM 432 CG2 THR A 528 -4.459 -12.515 1.799 1.00 14.10 C ATOM 0 H THR A 528 -4.739 -10.102 2.029 1.00 4.35 H new ATOM 0 HA THR A 528 -6.315 -10.295 -0.160 1.00 21.12 H new ATOM 0 HB THR A 528 -4.171 -11.398 0.005 1.00 72.41 H new ATOM 0 HG1 THR A 528 -5.369 -13.835 0.146 1.00 73.42 H new ATOM 0 HG21 THR A 528 -3.669 -13.235 1.583 1.00 14.10 H new ATOM 0 HG22 THR A 528 -4.060 -11.714 2.421 1.00 14.10 H new ATOM 0 HG23 THR A 528 -5.271 -13.015 2.328 1.00 14.10 H new ATOM 440 N SER A 529 -8.176 -11.920 0.021 1.00 71.41 N ATOM 441 CA SER A 529 -9.386 -12.679 0.078 1.00 30.42 C ATOM 442 C SER A 529 -9.082 -14.123 0.507 1.00 20.32 C ATOM 443 O SER A 529 -9.824 -14.733 1.285 1.00 63.21 O ATOM 444 CB SER A 529 -9.993 -12.635 -1.308 1.00 3.24 C ATOM 445 OG SER A 529 -10.122 -11.280 -1.730 1.00 35.03 O ATOM 0 H SER A 529 -7.942 -11.609 -0.922 1.00 71.41 H new ATOM 0 HA SER A 529 -10.082 -12.268 0.810 1.00 30.42 H new ATOM 0 HB2 SER A 529 -9.366 -13.187 -2.008 1.00 3.24 H new ATOM 0 HB3 SER A 529 -10.969 -13.120 -1.304 1.00 3.24 H new ATOM 0 HG SER A 529 -10.655 -11.243 -2.552 1.00 35.03 H new ATOM 451 N GLY A 530 -7.982 -14.641 0.026 1.00 63.11 N ATOM 452 CA GLY A 530 -7.561 -15.946 0.392 1.00 2.25 C ATOM 453 C GLY A 530 -6.383 -15.839 1.302 1.00 51.20 C ATOM 454 O GLY A 530 -5.281 -15.494 0.860 1.00 63.12 O ATOM 0 H GLY A 530 -7.362 -14.163 -0.628 1.00 63.11 H new ATOM 0 HA2 GLY A 530 -8.373 -16.478 0.888 1.00 2.25 H new ATOM 0 HA3 GLY A 530 -7.299 -16.520 -0.497 1.00 2.25 H new ATOM 458 N ALA A 531 -6.608 -16.036 2.567 1.00 64.12 N ATOM 459 CA ALA A 531 -5.546 -15.951 3.528 1.00 22.12 C ATOM 460 C ALA A 531 -5.403 -17.238 4.301 1.00 21.30 C ATOM 461 O ALA A 531 -5.698 -17.298 5.480 1.00 35.40 O ATOM 462 CB ALA A 531 -5.748 -14.779 4.477 1.00 62.21 C ATOM 0 H ALA A 531 -7.523 -16.258 2.960 1.00 64.12 H new ATOM 0 HA ALA A 531 -4.622 -15.782 2.974 1.00 22.12 H new ATOM 0 HB1 ALA A 531 -4.926 -14.744 5.192 1.00 62.21 H new ATOM 0 HB2 ALA A 531 -5.774 -13.850 3.908 1.00 62.21 H new ATOM 0 HB3 ALA A 531 -6.689 -14.902 5.012 1.00 62.21 H new ATOM 468 N ARG A 532 -5.025 -18.279 3.624 1.00 10.43 N ATOM 469 CA ARG A 532 -4.755 -19.538 4.271 1.00 33.14 C ATOM 470 C ARG A 532 -3.300 -19.848 4.046 1.00 12.04 C ATOM 471 O ARG A 532 -2.920 -20.401 3.017 1.00 23.22 O ATOM 472 CB ARG A 532 -5.630 -20.672 3.716 1.00 63.12 C ATOM 473 CG ARG A 532 -7.128 -20.397 3.740 1.00 0.40 C ATOM 474 CD ARG A 532 -7.675 -20.180 5.136 1.00 23.11 C ATOM 475 NE ARG A 532 -9.125 -19.919 5.098 1.00 64.35 N ATOM 476 CZ ARG A 532 -9.900 -19.606 6.152 1.00 34.42 C ATOM 477 NH1 ARG A 532 -9.370 -19.478 7.359 1.00 20.03 N ATOM 478 NH2 ARG A 532 -11.198 -19.393 5.974 1.00 12.51 N ATOM 0 H ARG A 532 -4.894 -18.286 2.612 1.00 10.43 H new ATOM 0 HA ARG A 532 -4.987 -19.460 5.333 1.00 33.14 H new ATOM 0 HB2 ARG A 532 -5.329 -20.874 2.688 1.00 63.12 H new ATOM 0 HB3 ARG A 532 -5.432 -21.578 4.290 1.00 63.12 H new ATOM 0 HG2 ARG A 532 -7.338 -19.516 3.134 1.00 0.40 H new ATOM 0 HG3 ARG A 532 -7.652 -21.234 3.278 1.00 0.40 H new ATOM 0 HD2 ARG A 532 -7.476 -21.058 5.750 1.00 23.11 H new ATOM 0 HD3 ARG A 532 -7.162 -19.340 5.605 1.00 23.11 H new ATOM 0 HE ARG A 532 -9.583 -19.981 4.189 1.00 64.35 H new ATOM 0 HH11 ARG A 532 -8.369 -19.617 7.494 1.00 20.03 H new ATOM 0 HH12 ARG A 532 -9.963 -19.240 8.154 1.00 20.03 H new ATOM 0 HH21 ARG A 532 -11.604 -19.467 5.041 1.00 12.51 H new ATOM 0 HH22 ARG A 532 -11.790 -19.155 6.770 1.00 12.51 H new ATOM 492 N GLY A 533 -2.488 -19.415 4.950 1.00 14.23 N ATOM 493 CA GLY A 533 -1.086 -19.572 4.797 1.00 74.41 C ATOM 494 C GLY A 533 -0.375 -18.370 5.317 1.00 72.32 C ATOM 495 O GLY A 533 -0.776 -17.804 6.343 1.00 50.34 O ATOM 0 H GLY A 533 -2.777 -18.946 5.809 1.00 14.23 H new ATOM 0 HA2 GLY A 533 -0.752 -20.461 5.331 1.00 74.41 H new ATOM 0 HA3 GLY A 533 -0.842 -19.722 3.745 1.00 74.41 H new ATOM 499 N ASN A 534 0.625 -17.943 4.598 1.00 42.34 N ATOM 500 CA ASN A 534 1.432 -16.805 4.972 1.00 45.05 C ATOM 501 C ASN A 534 1.860 -16.090 3.686 1.00 32.41 C ATOM 502 O ASN A 534 2.289 -16.746 2.725 1.00 42.02 O ATOM 503 CB ASN A 534 2.653 -17.306 5.772 1.00 13.20 C ATOM 504 CG ASN A 534 3.527 -16.216 6.391 1.00 21.22 C ATOM 505 OD1 ASN A 534 4.729 -16.388 6.528 1.00 13.32 O ATOM 506 ND2 ASN A 534 2.945 -15.117 6.791 1.00 64.14 N ATOM 0 H ASN A 534 0.910 -18.379 3.721 1.00 42.34 H new ATOM 0 HA ASN A 534 0.878 -16.106 5.599 1.00 45.05 H new ATOM 0 HB2 ASN A 534 2.299 -17.960 6.569 1.00 13.20 H new ATOM 0 HB3 ASN A 534 3.273 -17.913 5.113 1.00 13.20 H new ATOM 0 HD21 ASN A 534 3.496 -14.379 7.229 1.00 64.14 H new ATOM 0 HD22 ASN A 534 1.940 -14.997 6.665 1.00 64.14 H new ATOM 513 N VAL A 535 1.687 -14.781 3.644 1.00 20.44 N ATOM 514 CA VAL A 535 2.002 -13.966 2.471 1.00 54.13 C ATOM 515 C VAL A 535 2.837 -12.769 2.904 1.00 60.41 C ATOM 516 O VAL A 535 2.511 -12.105 3.891 1.00 45.03 O ATOM 517 CB VAL A 535 0.697 -13.456 1.748 1.00 43.05 C ATOM 518 CG1 VAL A 535 1.014 -12.621 0.507 1.00 74.44 C ATOM 519 CG2 VAL A 535 -0.179 -14.617 1.357 1.00 61.12 C ATOM 0 H VAL A 535 1.320 -14.243 4.429 1.00 20.44 H new ATOM 0 HA VAL A 535 2.557 -14.586 1.767 1.00 54.13 H new ATOM 0 HB VAL A 535 0.171 -12.820 2.459 1.00 43.05 H new ATOM 0 HG11 VAL A 535 0.084 -12.292 0.043 1.00 74.44 H new ATOM 0 HG12 VAL A 535 1.604 -11.751 0.795 1.00 74.44 H new ATOM 0 HG13 VAL A 535 1.580 -13.224 -0.203 1.00 74.44 H new ATOM 0 HG21 VAL A 535 -1.075 -14.245 0.859 1.00 61.12 H new ATOM 0 HG22 VAL A 535 0.367 -15.273 0.679 1.00 61.12 H new ATOM 0 HG23 VAL A 535 -0.464 -15.174 2.249 1.00 61.12 H new ATOM 529 N ILE A 536 3.906 -12.515 2.193 1.00 64.24 N ATOM 530 CA ILE A 536 4.782 -11.397 2.494 1.00 33.44 C ATOM 531 C ILE A 536 4.568 -10.297 1.482 1.00 42.55 C ATOM 532 O ILE A 536 4.542 -10.557 0.277 1.00 54.32 O ATOM 533 CB ILE A 536 6.288 -11.811 2.503 1.00 42.43 C ATOM 534 CG1 ILE A 536 6.562 -12.833 3.609 1.00 44.12 C ATOM 535 CG2 ILE A 536 7.195 -10.592 2.681 1.00 50.33 C ATOM 536 CD1 ILE A 536 6.271 -12.307 4.995 1.00 32.21 C ATOM 0 H ILE A 536 4.198 -13.072 1.390 1.00 64.24 H new ATOM 0 HA ILE A 536 4.531 -11.045 3.495 1.00 33.44 H new ATOM 0 HB ILE A 536 6.511 -12.267 1.538 1.00 42.43 H new ATOM 0 HG12 ILE A 536 5.957 -13.722 3.431 1.00 44.12 H new ATOM 0 HG13 ILE A 536 7.606 -13.143 3.557 1.00 44.12 H new ATOM 0 HG21 ILE A 536 8.237 -10.911 2.683 1.00 50.33 H new ATOM 0 HG22 ILE A 536 7.031 -9.894 1.860 1.00 50.33 H new ATOM 0 HG23 ILE A 536 6.964 -10.101 3.626 1.00 50.33 H new ATOM 0 HD11 ILE A 536 6.487 -13.082 5.731 1.00 32.21 H new ATOM 0 HD12 ILE A 536 6.895 -11.436 5.192 1.00 32.21 H new ATOM 0 HD13 ILE A 536 5.221 -12.024 5.064 1.00 32.21 H new ATOM 548 N VAL A 537 4.391 -9.090 1.962 1.00 24.23 N ATOM 549 CA VAL A 537 4.193 -7.952 1.093 1.00 11.11 C ATOM 550 C VAL A 537 5.331 -6.931 1.290 1.00 25.41 C ATOM 551 O VAL A 537 5.362 -6.217 2.292 1.00 41.55 O ATOM 552 CB VAL A 537 2.829 -7.250 1.347 1.00 1.45 C ATOM 553 CG1 VAL A 537 2.545 -6.195 0.285 1.00 12.04 C ATOM 554 CG2 VAL A 537 1.696 -8.259 1.437 1.00 22.01 C ATOM 0 H VAL A 537 4.380 -8.868 2.958 1.00 24.23 H new ATOM 0 HA VAL A 537 4.195 -8.327 0.069 1.00 11.11 H new ATOM 0 HB VAL A 537 2.895 -6.742 2.309 1.00 1.45 H new ATOM 0 HG11 VAL A 537 1.585 -5.722 0.490 1.00 12.04 H new ATOM 0 HG12 VAL A 537 3.332 -5.441 0.302 1.00 12.04 H new ATOM 0 HG13 VAL A 537 2.515 -6.666 -0.697 1.00 12.04 H new ATOM 0 HG21 VAL A 537 0.756 -7.736 1.615 1.00 22.01 H new ATOM 0 HG22 VAL A 537 1.630 -8.816 0.502 1.00 22.01 H new ATOM 0 HG23 VAL A 537 1.888 -8.950 2.258 1.00 22.01 H new ATOM 564 N PRO A 538 6.302 -6.889 0.370 1.00 12.14 N ATOM 565 CA PRO A 538 7.408 -5.933 0.441 1.00 30.34 C ATOM 566 C PRO A 538 6.953 -4.515 0.075 1.00 30.32 C ATOM 567 O PRO A 538 6.184 -4.324 -0.875 1.00 61.55 O ATOM 568 CB PRO A 538 8.411 -6.464 -0.588 1.00 31.20 C ATOM 569 CG PRO A 538 7.604 -7.263 -1.551 1.00 40.25 C ATOM 570 CD PRO A 538 6.396 -7.766 -0.811 1.00 44.20 C ATOM 0 HA PRO A 538 7.824 -5.854 1.445 1.00 30.34 H new ATOM 0 HB2 PRO A 538 8.927 -5.647 -1.091 1.00 31.20 H new ATOM 0 HB3 PRO A 538 9.175 -7.078 -0.111 1.00 31.20 H new ATOM 0 HG2 PRO A 538 7.306 -6.652 -2.403 1.00 40.25 H new ATOM 0 HG3 PRO A 538 8.188 -8.095 -1.944 1.00 40.25 H new ATOM 0 HD2 PRO A 538 5.498 -7.703 -1.426 1.00 44.20 H new ATOM 0 HD3 PRO A 538 6.512 -8.811 -0.523 1.00 44.20 H new ATOM 578 N TYR A 539 7.426 -3.534 0.803 1.00 72.30 N ATOM 579 CA TYR A 539 7.025 -2.158 0.582 1.00 55.14 C ATOM 580 C TYR A 539 8.198 -1.229 0.790 1.00 62.52 C ATOM 581 O TYR A 539 9.169 -1.604 1.450 1.00 63.54 O ATOM 582 CB TYR A 539 5.882 -1.765 1.539 1.00 35.34 C ATOM 583 CG TYR A 539 6.256 -1.728 3.017 1.00 64.14 C ATOM 584 CD1 TYR A 539 6.149 -2.855 3.803 1.00 53.22 C ATOM 585 CD2 TYR A 539 6.706 -0.553 3.619 1.00 43.43 C ATOM 586 CE1 TYR A 539 6.479 -2.824 5.141 1.00 22.43 C ATOM 587 CE2 TYR A 539 7.040 -0.519 4.955 1.00 73.32 C ATOM 588 CZ TYR A 539 6.923 -1.659 5.711 1.00 21.11 C ATOM 589 OH TYR A 539 7.249 -1.633 7.049 1.00 1.41 O ATOM 0 H TYR A 539 8.096 -3.660 1.562 1.00 72.30 H new ATOM 0 HA TYR A 539 6.673 -2.069 -0.446 1.00 55.14 H new ATOM 0 HB2 TYR A 539 5.510 -0.782 1.250 1.00 35.34 H new ATOM 0 HB3 TYR A 539 5.060 -2.469 1.406 1.00 35.34 H new ATOM 0 HD1 TYR A 539 5.801 -3.778 3.363 1.00 53.22 H new ATOM 0 HD2 TYR A 539 6.794 0.346 3.027 1.00 43.43 H new ATOM 0 HE1 TYR A 539 6.388 -3.718 5.740 1.00 22.43 H new ATOM 0 HE2 TYR A 539 7.391 0.398 5.405 1.00 73.32 H new ATOM 0 HH TYR A 539 7.547 -0.733 7.296 1.00 1.41 H new ATOM 599 N LYS A 540 8.100 -0.030 0.255 1.00 61.41 N ATOM 600 CA LYS A 540 9.116 0.984 0.435 1.00 51.03 C ATOM 601 C LYS A 540 8.536 2.388 0.283 1.00 5.02 C ATOM 602 O LYS A 540 7.436 2.564 -0.277 1.00 70.54 O ATOM 603 CB LYS A 540 10.360 0.734 -0.471 1.00 53.11 C ATOM 604 CG LYS A 540 10.101 0.557 -1.973 1.00 25.41 C ATOM 605 CD LYS A 540 9.710 1.850 -2.670 1.00 5.52 C ATOM 606 CE LYS A 540 9.501 1.632 -4.155 1.00 72.12 C ATOM 607 NZ LYS A 540 10.721 1.123 -4.820 1.00 61.21 N ATOM 0 H LYS A 540 7.311 0.269 -0.318 1.00 61.41 H new ATOM 0 HA LYS A 540 9.478 0.910 1.460 1.00 51.03 H new ATOM 0 HB2 LYS A 540 11.047 1.570 -0.342 1.00 53.11 H new ATOM 0 HB3 LYS A 540 10.871 -0.158 -0.107 1.00 53.11 H new ATOM 0 HG2 LYS A 540 10.997 0.154 -2.445 1.00 25.41 H new ATOM 0 HG3 LYS A 540 9.309 -0.178 -2.114 1.00 25.41 H new ATOM 0 HD2 LYS A 540 8.796 2.243 -2.226 1.00 5.52 H new ATOM 0 HD3 LYS A 540 10.487 2.599 -2.516 1.00 5.52 H new ATOM 0 HE2 LYS A 540 8.685 0.925 -4.306 1.00 72.12 H new ATOM 0 HE3 LYS A 540 9.200 2.571 -4.620 1.00 72.12 H new ATOM 0 HZ1 LYS A 540 10.638 1.258 -5.848 1.00 61.21 H new ATOM 0 HZ2 LYS A 540 11.551 1.642 -4.468 1.00 61.21 H new ATOM 0 HZ3 LYS A 540 10.833 0.110 -4.612 1.00 61.21 H new ATOM 621 N THR A 541 9.243 3.354 0.813 1.00 53.50 N ATOM 622 CA THR A 541 8.854 4.741 0.752 1.00 31.14 C ATOM 623 C THR A 541 9.549 5.468 -0.401 1.00 44.23 C ATOM 624 O THR A 541 10.777 5.418 -0.519 1.00 53.03 O ATOM 625 CB THR A 541 9.260 5.444 2.061 1.00 21.52 C ATOM 626 OG1 THR A 541 10.644 5.176 2.323 1.00 22.21 O ATOM 627 CG2 THR A 541 8.442 4.958 3.231 1.00 3.21 C ATOM 0 H THR A 541 10.121 3.196 1.308 1.00 53.50 H new ATOM 0 HA THR A 541 7.775 4.774 0.601 1.00 31.14 H new ATOM 0 HB THR A 541 9.084 6.513 1.941 1.00 21.52 H new ATOM 0 HG1 THR A 541 11.141 5.166 1.478 1.00 22.21 H new ATOM 0 HG21 THR A 541 8.758 5.477 4.136 1.00 3.21 H new ATOM 0 HG22 THR A 541 7.387 5.160 3.046 1.00 3.21 H new ATOM 0 HG23 THR A 541 8.589 3.885 3.358 1.00 3.21 H new ATOM 635 N ILE A 542 8.782 6.120 -1.234 1.00 70.41 N ATOM 636 CA ILE A 542 9.325 6.973 -2.267 1.00 45.13 C ATOM 637 C ILE A 542 9.362 8.368 -1.684 1.00 14.24 C ATOM 638 O ILE A 542 8.306 8.944 -1.405 1.00 71.40 O ATOM 639 CB ILE A 542 8.469 7.002 -3.590 1.00 23.02 C ATOM 640 CG1 ILE A 542 8.333 5.621 -4.262 1.00 52.40 C ATOM 641 CG2 ILE A 542 9.023 8.009 -4.590 1.00 64.42 C ATOM 642 CD1 ILE A 542 7.349 4.689 -3.598 1.00 44.13 C ATOM 0 H ILE A 542 7.763 6.077 -1.219 1.00 70.41 H new ATOM 0 HA ILE A 542 10.304 6.589 -2.552 1.00 45.13 H new ATOM 0 HB ILE A 542 7.470 7.311 -3.282 1.00 23.02 H new ATOM 0 HG12 ILE A 542 8.032 5.765 -5.300 1.00 52.40 H new ATOM 0 HG13 ILE A 542 9.312 5.142 -4.278 1.00 52.40 H new ATOM 0 HG21 ILE A 542 8.409 8.003 -5.491 1.00 64.42 H new ATOM 0 HG22 ILE A 542 9.010 9.005 -4.148 1.00 64.42 H new ATOM 0 HG23 ILE A 542 10.047 7.740 -4.848 1.00 64.42 H new ATOM 0 HD11 ILE A 542 7.321 3.744 -4.140 1.00 44.13 H new ATOM 0 HD12 ILE A 542 7.657 4.508 -2.568 1.00 44.13 H new ATOM 0 HD13 ILE A 542 6.357 5.141 -3.606 1.00 44.13 H new ATOM 654 N GLU A 543 10.562 8.866 -1.452 1.00 44.31 N ATOM 655 CA GLU A 543 10.810 10.162 -0.818 1.00 31.24 C ATOM 656 C GLU A 543 10.035 11.279 -1.500 1.00 44.03 C ATOM 657 O GLU A 543 9.314 12.031 -0.845 1.00 12.21 O ATOM 658 CB GLU A 543 12.312 10.529 -0.819 1.00 45.23 C ATOM 659 CG GLU A 543 13.267 9.428 -0.368 1.00 41.21 C ATOM 660 CD GLU A 543 13.583 8.444 -1.471 1.00 70.54 C ATOM 661 OE1 GLU A 543 12.833 7.479 -1.665 1.00 20.21 O ATOM 662 OE2 GLU A 543 14.602 8.620 -2.165 1.00 1.30 O ATOM 0 H GLU A 543 11.419 8.373 -1.703 1.00 44.31 H new ATOM 0 HA GLU A 543 10.468 10.061 0.212 1.00 31.24 H new ATOM 0 HB2 GLU A 543 12.591 10.835 -1.827 1.00 45.23 H new ATOM 0 HB3 GLU A 543 12.455 11.395 -0.172 1.00 45.23 H new ATOM 0 HG2 GLU A 543 14.193 9.879 -0.012 1.00 41.21 H new ATOM 0 HG3 GLU A 543 12.828 8.894 0.475 1.00 41.21 H new ATOM 669 N GLY A 544 10.199 11.385 -2.805 1.00 33.12 N ATOM 670 CA GLY A 544 9.507 12.401 -3.564 1.00 31.43 C ATOM 671 C GLY A 544 10.017 13.792 -3.246 1.00 15.13 C ATOM 672 O GLY A 544 11.048 14.218 -3.772 1.00 72.33 O ATOM 0 H GLY A 544 10.805 10.779 -3.358 1.00 33.12 H new ATOM 0 HA2 GLY A 544 9.630 12.204 -4.629 1.00 31.43 H new ATOM 0 HA3 GLY A 544 8.439 12.349 -3.351 1.00 31.43 H new ATOM 676 N THR A 545 9.311 14.489 -2.378 1.00 73.31 N ATOM 677 CA THR A 545 9.686 15.835 -1.973 1.00 70.13 C ATOM 678 C THR A 545 10.142 15.824 -0.489 1.00 12.43 C ATOM 679 O THR A 545 10.549 16.847 0.080 1.00 54.02 O ATOM 680 CB THR A 545 8.513 16.860 -2.252 1.00 63.44 C ATOM 681 OG1 THR A 545 8.845 18.205 -1.862 1.00 14.13 O ATOM 682 CG2 THR A 545 7.231 16.445 -1.568 1.00 72.54 C ATOM 0 H THR A 545 8.462 14.142 -1.932 1.00 73.31 H new ATOM 0 HA THR A 545 10.530 16.176 -2.573 1.00 70.13 H new ATOM 0 HB THR A 545 8.365 16.845 -3.332 1.00 63.44 H new ATOM 0 HG1 THR A 545 9.500 18.182 -1.134 1.00 14.13 H new ATOM 0 HG21 THR A 545 6.451 17.175 -1.784 1.00 72.54 H new ATOM 0 HG22 THR A 545 6.924 15.466 -1.934 1.00 72.54 H new ATOM 0 HG23 THR A 545 7.393 16.395 -0.491 1.00 72.54 H new ATOM 690 N ALA A 546 10.069 14.646 0.121 1.00 15.20 N ATOM 691 CA ALA A 546 10.559 14.437 1.456 1.00 13.11 C ATOM 692 C ALA A 546 11.989 13.921 1.359 1.00 53.32 C ATOM 693 O ALA A 546 12.445 13.582 0.267 1.00 55.24 O ATOM 694 CB ALA A 546 9.679 13.439 2.177 1.00 25.04 C ATOM 0 H ALA A 546 9.665 13.814 -0.308 1.00 15.20 H new ATOM 0 HA ALA A 546 10.541 15.369 2.020 1.00 13.11 H new ATOM 0 HB1 ALA A 546 10.056 13.285 3.188 1.00 25.04 H new ATOM 0 HB2 ALA A 546 8.659 13.821 2.224 1.00 25.04 H new ATOM 0 HB3 ALA A 546 9.687 12.491 1.639 1.00 25.04 H new ATOM 700 N ARG A 547 12.686 13.832 2.462 1.00 44.23 N ATOM 701 CA ARG A 547 14.072 13.426 2.418 1.00 3.30 C ATOM 702 C ARG A 547 14.279 12.243 3.382 1.00 65.02 C ATOM 703 O ARG A 547 14.018 12.360 4.595 1.00 41.34 O ATOM 704 CB ARG A 547 14.951 14.640 2.792 1.00 43.45 C ATOM 705 CG ARG A 547 16.386 14.617 2.266 1.00 30.51 C ATOM 706 CD ARG A 547 17.190 13.479 2.819 1.00 41.34 C ATOM 707 NE ARG A 547 18.546 13.450 2.286 1.00 74.54 N ATOM 708 CZ ARG A 547 19.516 12.617 2.673 1.00 21.54 C ATOM 709 NH1 ARG A 547 19.282 11.699 3.609 1.00 32.25 N ATOM 710 NH2 ARG A 547 20.716 12.704 2.109 1.00 75.54 N ATOM 0 H ARG A 547 12.324 14.032 3.394 1.00 44.23 H new ATOM 0 HA ARG A 547 14.356 13.094 1.419 1.00 3.30 H new ATOM 0 HB2 ARG A 547 14.464 15.543 2.423 1.00 43.45 H new ATOM 0 HB3 ARG A 547 14.985 14.718 3.879 1.00 43.45 H new ATOM 0 HG2 ARG A 547 16.368 14.548 1.178 1.00 30.51 H new ATOM 0 HG3 ARG A 547 16.875 15.558 2.518 1.00 30.51 H new ATOM 0 HD2 ARG A 547 17.231 13.560 3.905 1.00 41.34 H new ATOM 0 HD3 ARG A 547 16.691 12.538 2.588 1.00 41.34 H new ATOM 0 HE ARG A 547 18.774 14.124 1.555 1.00 74.54 H new ATOM 0 HH11 ARG A 547 18.358 11.629 4.035 1.00 32.25 H new ATOM 0 HH12 ARG A 547 20.027 11.066 3.900 1.00 32.25 H new ATOM 0 HH21 ARG A 547 20.891 13.403 1.387 1.00 75.54 H new ATOM 0 HH22 ARG A 547 21.463 12.072 2.398 1.00 75.54 H new ATOM 724 N GLY A 548 14.747 11.124 2.845 1.00 64.24 N ATOM 725 CA GLY A 548 14.938 9.917 3.636 1.00 65.23 C ATOM 726 C GLY A 548 16.214 9.945 4.457 1.00 34.31 C ATOM 727 O GLY A 548 16.817 11.003 4.650 1.00 71.22 O ATOM 0 H GLY A 548 15.002 11.028 1.862 1.00 64.24 H new ATOM 0 HA2 GLY A 548 14.086 9.787 4.303 1.00 65.23 H new ATOM 0 HA3 GLY A 548 14.958 9.053 2.972 1.00 65.23 H new ATOM 731 N GLY A 549 16.618 8.801 4.943 1.00 14.00 N ATOM 732 CA GLY A 549 17.807 8.687 5.753 1.00 54.11 C ATOM 733 C GLY A 549 17.583 9.150 7.168 1.00 34.55 C ATOM 734 O GLY A 549 18.534 9.382 7.898 1.00 53.51 O ATOM 0 H GLY A 549 16.132 7.918 4.789 1.00 14.00 H new ATOM 0 HA2 GLY A 549 18.140 7.649 5.761 1.00 54.11 H new ATOM 0 HA3 GLY A 549 18.607 9.275 5.304 1.00 54.11 H new ATOM 738 N GLY A 550 16.323 9.275 7.569 1.00 0.20 N ATOM 739 CA GLY A 550 16.020 9.788 8.870 1.00 10.21 C ATOM 740 C GLY A 550 16.346 11.259 8.947 1.00 74.12 C ATOM 741 O GLY A 550 16.763 11.760 9.985 1.00 25.34 O ATOM 0 H GLY A 550 15.510 9.026 7.005 1.00 0.20 H new ATOM 0 HA2 GLY A 550 14.965 9.631 9.092 1.00 10.21 H new ATOM 0 HA3 GLY A 550 16.589 9.243 9.624 1.00 10.21 H new ATOM 745 N GLU A 551 16.176 11.933 7.832 1.00 73.23 N ATOM 746 CA GLU A 551 16.464 13.341 7.733 1.00 53.45 C ATOM 747 C GLU A 551 15.180 14.122 7.921 1.00 63.21 C ATOM 748 O GLU A 551 15.026 14.865 8.879 1.00 70.10 O ATOM 749 CB GLU A 551 17.048 13.646 6.363 1.00 44.21 C ATOM 750 CG GLU A 551 17.577 15.051 6.208 1.00 62.33 C ATOM 751 CD GLU A 551 18.760 15.291 7.097 1.00 23.41 C ATOM 752 OE1 GLU A 551 19.892 15.025 6.664 1.00 65.41 O ATOM 753 OE2 GLU A 551 18.586 15.740 8.250 1.00 44.05 O ATOM 0 H GLU A 551 15.833 11.516 6.967 1.00 73.23 H new ATOM 0 HA GLU A 551 17.184 13.624 8.501 1.00 53.45 H new ATOM 0 HB2 GLU A 551 17.856 12.943 6.161 1.00 44.21 H new ATOM 0 HB3 GLU A 551 16.280 13.475 5.608 1.00 44.21 H new ATOM 0 HG2 GLU A 551 17.860 15.222 5.169 1.00 62.33 H new ATOM 0 HG3 GLU A 551 16.790 15.766 6.446 1.00 62.33 H new ATOM 760 N ASP A 552 14.263 13.942 6.995 1.00 41.23 N ATOM 761 CA ASP A 552 12.963 14.590 7.067 1.00 61.32 C ATOM 762 C ASP A 552 11.976 13.541 7.538 1.00 0.21 C ATOM 763 O ASP A 552 11.073 13.800 8.333 1.00 11.11 O ATOM 764 CB ASP A 552 12.569 15.121 5.687 1.00 61.50 C ATOM 765 CG ASP A 552 11.414 16.091 5.714 1.00 33.03 C ATOM 766 OD1 ASP A 552 10.259 15.676 5.719 1.00 24.25 O ATOM 767 OD2 ASP A 552 11.667 17.332 5.692 1.00 53.42 O ATOM 0 H ASP A 552 14.392 13.348 6.176 1.00 41.23 H new ATOM 0 HA ASP A 552 12.979 15.437 7.753 1.00 61.32 H new ATOM 0 HB2 ASP A 552 13.432 15.611 5.237 1.00 61.50 H new ATOM 0 HB3 ASP A 552 12.309 14.279 5.045 1.00 61.50 H new ATOM 772 N PHE A 553 12.197 12.323 7.070 1.00 22.40 N ATOM 773 CA PHE A 553 11.434 11.194 7.503 1.00 74.14 C ATOM 774 C PHE A 553 12.336 9.972 7.503 1.00 65.15 C ATOM 775 O PHE A 553 13.433 9.992 6.900 1.00 24.00 O ATOM 776 CB PHE A 553 10.216 10.950 6.610 1.00 63.23 C ATOM 777 CG PHE A 553 10.489 10.288 5.279 1.00 43.53 C ATOM 778 CD1 PHE A 553 11.094 10.972 4.250 1.00 34.44 C ATOM 779 CD2 PHE A 553 10.106 8.977 5.069 1.00 73.01 C ATOM 780 CE1 PHE A 553 11.319 10.360 3.032 1.00 64.31 C ATOM 781 CE2 PHE A 553 10.322 8.364 3.858 1.00 62.13 C ATOM 782 CZ PHE A 553 10.931 9.054 2.837 1.00 62.23 C ATOM 0 H PHE A 553 12.914 12.103 6.379 1.00 22.40 H new ATOM 0 HA PHE A 553 11.059 11.392 8.507 1.00 74.14 H new ATOM 0 HB2 PHE A 553 9.505 10.334 7.160 1.00 63.23 H new ATOM 0 HB3 PHE A 553 9.730 11.908 6.424 1.00 63.23 H new ATOM 0 HD1 PHE A 553 11.396 11.998 4.396 1.00 34.44 H new ATOM 0 HD2 PHE A 553 9.630 8.427 5.867 1.00 73.01 H new ATOM 0 HE1 PHE A 553 11.799 10.906 2.233 1.00 64.31 H new ATOM 0 HE2 PHE A 553 10.013 7.340 3.709 1.00 62.13 H new ATOM 0 HZ PHE A 553 11.104 8.573 1.886 1.00 62.23 H new ATOM 792 N GLU A 554 11.906 8.950 8.169 1.00 22.22 N ATOM 793 CA GLU A 554 12.608 7.706 8.233 1.00 71.22 C ATOM 794 C GLU A 554 12.080 6.841 7.109 1.00 63.41 C ATOM 795 O GLU A 554 10.928 6.396 7.135 1.00 13.04 O ATOM 796 CB GLU A 554 12.383 7.100 9.634 1.00 13.35 C ATOM 797 CG GLU A 554 13.089 5.785 9.987 1.00 30.01 C ATOM 798 CD GLU A 554 12.332 4.529 9.577 1.00 60.31 C ATOM 799 OE1 GLU A 554 11.141 4.389 9.972 1.00 3.23 O ATOM 800 OE2 GLU A 554 12.944 3.611 8.963 1.00 22.31 O ATOM 0 H GLU A 554 11.034 8.956 8.698 1.00 22.22 H new ATOM 0 HA GLU A 554 13.685 7.809 8.101 1.00 71.22 H new ATOM 0 HB2 GLU A 554 12.685 7.846 10.370 1.00 13.35 H new ATOM 0 HB3 GLU A 554 11.311 6.944 9.759 1.00 13.35 H new ATOM 0 HG2 GLU A 554 14.069 5.775 9.510 1.00 30.01 H new ATOM 0 HG3 GLU A 554 13.258 5.756 11.063 1.00 30.01 H new ATOM 807 N ASP A 555 12.887 6.707 6.079 1.00 74.54 N ATOM 808 CA ASP A 555 12.522 5.934 4.907 1.00 0.22 C ATOM 809 C ASP A 555 12.531 4.494 5.275 1.00 75.01 C ATOM 810 O ASP A 555 13.406 4.038 6.008 1.00 4.35 O ATOM 811 CB ASP A 555 13.474 6.183 3.714 1.00 4.25 C ATOM 812 CG ASP A 555 14.879 5.694 3.960 1.00 33.42 C ATOM 813 OD1 ASP A 555 15.652 6.406 4.606 1.00 0.35 O ATOM 814 OD2 ASP A 555 15.228 4.586 3.539 1.00 71.04 O ATOM 0 H ASP A 555 13.814 7.129 6.028 1.00 74.54 H new ATOM 0 HA ASP A 555 11.529 6.247 4.584 1.00 0.22 H new ATOM 0 HB2 ASP A 555 13.074 5.688 2.829 1.00 4.25 H new ATOM 0 HB3 ASP A 555 13.501 7.251 3.496 1.00 4.25 H new ATOM 819 N THR A 556 11.588 3.777 4.802 1.00 74.33 N ATOM 820 CA THR A 556 11.493 2.442 5.199 1.00 61.33 C ATOM 821 C THR A 556 11.161 1.528 4.039 1.00 4.33 C ATOM 822 O THR A 556 10.384 1.881 3.140 1.00 13.31 O ATOM 823 CB THR A 556 10.497 2.278 6.389 1.00 65.35 C ATOM 824 OG1 THR A 556 10.474 0.928 6.869 1.00 54.01 O ATOM 825 CG2 THR A 556 9.091 2.715 6.020 1.00 63.20 C ATOM 0 H THR A 556 10.877 4.095 4.143 1.00 74.33 H new ATOM 0 HA THR A 556 12.475 2.134 5.557 1.00 61.33 H new ATOM 0 HB THR A 556 10.858 2.930 7.185 1.00 65.35 H new ATOM 0 HG1 THR A 556 9.843 0.857 7.615 1.00 54.01 H new ATOM 0 HG21 THR A 556 8.432 2.583 6.878 1.00 63.20 H new ATOM 0 HG22 THR A 556 9.101 3.765 5.728 1.00 63.20 H new ATOM 0 HG23 THR A 556 8.729 2.111 5.188 1.00 63.20 H new ATOM 833 N CYS A 557 11.821 0.412 4.030 1.00 13.21 N ATOM 834 CA CYS A 557 11.582 -0.641 3.116 1.00 53.40 C ATOM 835 C CYS A 557 11.477 -1.901 3.941 1.00 61.04 C ATOM 836 O CYS A 557 12.418 -2.264 4.657 1.00 10.34 O ATOM 837 CB CYS A 557 12.699 -0.723 2.061 1.00 40.21 C ATOM 838 SG CYS A 557 14.379 -0.907 2.722 1.00 41.20 S ATOM 0 H CYS A 557 12.571 0.210 4.691 1.00 13.21 H new ATOM 0 HA CYS A 557 10.663 -0.481 2.552 1.00 53.40 H new ATOM 0 HB2 CYS A 557 12.492 -1.566 1.401 1.00 40.21 H new ATOM 0 HB3 CYS A 557 12.664 0.178 1.448 1.00 40.21 H new ATOM 0 HG CYS A 557 14.342 -1.616 3.811 1.00 41.20 H new ATOM 844 N GLY A 558 10.362 -2.546 3.875 1.00 70.45 N ATOM 845 CA GLY A 558 10.129 -3.646 4.726 1.00 63.30 C ATOM 846 C GLY A 558 9.277 -4.659 4.070 1.00 12.41 C ATOM 847 O GLY A 558 8.969 -4.539 2.878 1.00 2.14 O ATOM 0 H GLY A 558 9.599 -2.324 3.235 1.00 70.45 H new ATOM 0 HA2 GLY A 558 11.080 -4.096 5.011 1.00 63.30 H new ATOM 0 HA3 GLY A 558 9.651 -3.304 5.644 1.00 63.30 H new ATOM 851 N GLU A 559 8.853 -5.614 4.831 1.00 43.33 N ATOM 852 CA GLU A 559 8.091 -6.716 4.336 1.00 53.50 C ATOM 853 C GLU A 559 6.972 -7.052 5.313 1.00 51.24 C ATOM 854 O GLU A 559 7.220 -7.584 6.397 1.00 24.32 O ATOM 855 CB GLU A 559 9.025 -7.912 4.110 1.00 52.42 C ATOM 856 CG GLU A 559 10.002 -7.726 2.948 1.00 33.14 C ATOM 857 CD GLU A 559 11.010 -8.833 2.823 1.00 34.23 C ATOM 858 OE1 GLU A 559 10.744 -9.823 2.143 1.00 52.35 O ATOM 859 OE2 GLU A 559 12.103 -8.737 3.386 1.00 51.54 O ATOM 0 H GLU A 559 9.030 -5.652 5.835 1.00 43.33 H new ATOM 0 HA GLU A 559 7.629 -6.457 3.383 1.00 53.50 H new ATOM 0 HB2 GLU A 559 9.592 -8.095 5.023 1.00 52.42 H new ATOM 0 HB3 GLU A 559 8.422 -8.801 3.926 1.00 52.42 H new ATOM 0 HG2 GLU A 559 9.437 -7.654 2.018 1.00 33.14 H new ATOM 0 HG3 GLU A 559 10.528 -6.780 3.075 1.00 33.14 H new ATOM 866 N LEU A 560 5.755 -6.710 4.939 1.00 72.43 N ATOM 867 CA LEU A 560 4.593 -6.953 5.776 1.00 21.24 C ATOM 868 C LEU A 560 4.247 -8.417 5.772 1.00 3.25 C ATOM 869 O LEU A 560 4.269 -9.065 4.722 1.00 21.22 O ATOM 870 CB LEU A 560 3.375 -6.148 5.307 1.00 33.21 C ATOM 871 CG LEU A 560 3.478 -4.625 5.367 1.00 34.13 C ATOM 872 CD1 LEU A 560 2.202 -3.993 4.852 1.00 53.12 C ATOM 873 CD2 LEU A 560 3.757 -4.152 6.786 1.00 40.43 C ATOM 0 H LEU A 560 5.542 -6.257 4.050 1.00 72.43 H new ATOM 0 HA LEU A 560 4.849 -6.632 6.786 1.00 21.24 H new ATOM 0 HB2 LEU A 560 3.159 -6.431 4.277 1.00 33.21 H new ATOM 0 HB3 LEU A 560 2.518 -6.452 5.907 1.00 33.21 H new ATOM 0 HG LEU A 560 4.310 -4.317 4.734 1.00 34.13 H new ATOM 0 HD11 LEU A 560 2.288 -2.908 4.900 1.00 53.12 H new ATOM 0 HD12 LEU A 560 2.036 -4.298 3.819 1.00 53.12 H new ATOM 0 HD13 LEU A 560 1.362 -4.318 5.466 1.00 53.12 H new ATOM 0 HD21 LEU A 560 3.826 -3.064 6.800 1.00 40.43 H new ATOM 0 HD22 LEU A 560 2.948 -4.473 7.442 1.00 40.43 H new ATOM 0 HD23 LEU A 560 4.698 -4.579 7.134 1.00 40.43 H new ATOM 885 N GLU A 561 3.941 -8.934 6.921 1.00 15.24 N ATOM 886 CA GLU A 561 3.602 -10.314 7.052 1.00 14.12 C ATOM 887 C GLU A 561 2.101 -10.497 7.265 1.00 14.41 C ATOM 888 O GLU A 561 1.544 -10.046 8.267 1.00 63.12 O ATOM 889 CB GLU A 561 4.397 -10.946 8.198 1.00 43.04 C ATOM 890 CG GLU A 561 4.081 -12.406 8.431 1.00 55.31 C ATOM 891 CD GLU A 561 4.915 -13.022 9.516 1.00 24.31 C ATOM 892 OE1 GLU A 561 4.697 -12.718 10.696 1.00 1.44 O ATOM 893 OE2 GLU A 561 5.793 -13.847 9.206 1.00 23.32 O ATOM 0 H GLU A 561 3.920 -8.409 7.795 1.00 15.24 H new ATOM 0 HA GLU A 561 3.866 -10.821 6.124 1.00 14.12 H new ATOM 0 HB2 GLU A 561 5.462 -10.844 7.988 1.00 43.04 H new ATOM 0 HB3 GLU A 561 4.198 -10.391 9.115 1.00 43.04 H new ATOM 0 HG2 GLU A 561 3.027 -12.507 8.689 1.00 55.31 H new ATOM 0 HG3 GLU A 561 4.236 -12.958 7.504 1.00 55.31 H new ATOM 900 N PHE A 562 1.462 -11.118 6.309 1.00 42.24 N ATOM 901 CA PHE A 562 0.067 -11.478 6.411 1.00 74.51 C ATOM 902 C PHE A 562 -0.037 -12.965 6.506 1.00 60.21 C ATOM 903 O PHE A 562 0.780 -13.678 5.942 1.00 61.10 O ATOM 904 CB PHE A 562 -0.734 -11.016 5.203 1.00 2.33 C ATOM 905 CG PHE A 562 -1.023 -9.558 5.147 1.00 74.43 C ATOM 906 CD1 PHE A 562 -0.127 -8.677 4.576 1.00 75.43 C ATOM 907 CD2 PHE A 562 -2.224 -9.073 5.633 1.00 33.41 C ATOM 908 CE1 PHE A 562 -0.422 -7.335 4.486 1.00 51.11 C ATOM 909 CE2 PHE A 562 -2.522 -7.737 5.554 1.00 14.11 C ATOM 910 CZ PHE A 562 -1.621 -6.866 4.975 1.00 22.44 C ATOM 0 H PHE A 562 1.897 -11.392 5.428 1.00 42.24 H new ATOM 0 HA PHE A 562 -0.341 -10.989 7.296 1.00 74.51 H new ATOM 0 HB2 PHE A 562 -0.191 -11.296 4.300 1.00 2.33 H new ATOM 0 HB3 PHE A 562 -1.680 -11.557 5.187 1.00 2.33 H new ATOM 0 HD1 PHE A 562 0.815 -9.044 4.196 1.00 75.43 H new ATOM 0 HD2 PHE A 562 -2.934 -9.754 6.079 1.00 33.41 H new ATOM 0 HE1 PHE A 562 0.284 -6.653 4.034 1.00 51.11 H new ATOM 0 HE2 PHE A 562 -3.459 -7.367 5.944 1.00 14.11 H new ATOM 0 HZ PHE A 562 -1.857 -5.814 4.905 1.00 22.44 H new ATOM 920 N GLN A 563 -1.018 -13.439 7.187 1.00 5.23 N ATOM 921 CA GLN A 563 -1.207 -14.847 7.358 1.00 73.13 C ATOM 922 C GLN A 563 -2.641 -15.099 7.737 1.00 3.52 C ATOM 923 O GLN A 563 -3.413 -14.154 7.831 1.00 30.42 O ATOM 924 CB GLN A 563 -0.223 -15.401 8.402 1.00 64.12 C ATOM 925 CG GLN A 563 -0.285 -14.728 9.760 1.00 23.25 C ATOM 926 CD GLN A 563 0.724 -15.287 10.741 1.00 71.41 C ATOM 927 OE1 GLN A 563 1.192 -14.585 11.631 1.00 4.33 O ATOM 928 NE2 GLN A 563 1.064 -16.537 10.593 1.00 30.24 N ATOM 0 H GLN A 563 -1.721 -12.862 7.648 1.00 5.23 H new ATOM 0 HA GLN A 563 -0.999 -15.371 6.425 1.00 73.13 H new ATOM 0 HB2 GLN A 563 -0.415 -16.466 8.532 1.00 64.12 H new ATOM 0 HB3 GLN A 563 0.790 -15.305 8.011 1.00 64.12 H new ATOM 0 HG2 GLN A 563 -0.112 -13.659 9.638 1.00 23.25 H new ATOM 0 HG3 GLN A 563 -1.287 -14.844 10.172 1.00 23.25 H new ATOM 0 HE21 GLN A 563 0.654 -17.091 9.841 1.00 30.24 H new ATOM 0 HE22 GLN A 563 1.740 -16.961 11.229 1.00 30.24 H new ATOM 937 N ASN A 564 -2.988 -16.337 7.971 1.00 43.23 N ATOM 938 CA ASN A 564 -4.365 -16.715 8.307 1.00 24.24 C ATOM 939 C ASN A 564 -4.744 -16.198 9.688 1.00 3.11 C ATOM 940 O ASN A 564 -5.896 -15.866 9.960 1.00 51.14 O ATOM 941 CB ASN A 564 -4.528 -18.242 8.223 1.00 2.53 C ATOM 942 CG ASN A 564 -5.920 -18.720 8.587 1.00 32.32 C ATOM 943 OD1 ASN A 564 -6.800 -18.766 7.754 1.00 41.22 O ATOM 944 ND2 ASN A 564 -6.109 -19.135 9.800 1.00 21.23 N ATOM 0 H ASN A 564 -2.337 -17.122 7.938 1.00 43.23 H new ATOM 0 HA ASN A 564 -5.041 -16.257 7.585 1.00 24.24 H new ATOM 0 HB2 ASN A 564 -4.293 -18.570 7.211 1.00 2.53 H new ATOM 0 HB3 ASN A 564 -3.804 -18.714 8.887 1.00 2.53 H new ATOM 0 HD21 ASN A 564 -7.016 -19.512 10.074 1.00 21.23 H new ATOM 0 HD22 ASN A 564 -5.351 -19.084 10.480 1.00 21.23 H new ATOM 951 N ASP A 565 -3.758 -16.095 10.540 1.00 60.15 N ATOM 952 CA ASP A 565 -3.937 -15.597 11.897 1.00 45.43 C ATOM 953 C ASP A 565 -3.928 -14.058 11.920 1.00 34.23 C ATOM 954 O ASP A 565 -4.148 -13.425 12.951 1.00 41.14 O ATOM 955 CB ASP A 565 -2.831 -16.175 12.807 1.00 50.25 C ATOM 956 CG ASP A 565 -2.932 -15.730 14.252 1.00 73.54 C ATOM 957 OD1 ASP A 565 -3.916 -16.111 14.943 1.00 30.11 O ATOM 958 OD2 ASP A 565 -2.017 -15.019 14.733 1.00 2.32 O ATOM 0 H ASP A 565 -2.797 -16.354 10.319 1.00 60.15 H new ATOM 0 HA ASP A 565 -4.907 -15.923 12.273 1.00 45.43 H new ATOM 0 HB2 ASP A 565 -2.874 -17.263 12.768 1.00 50.25 H new ATOM 0 HB3 ASP A 565 -1.858 -15.880 12.413 1.00 50.25 H new ATOM 963 N GLU A 566 -3.749 -13.462 10.776 1.00 55.13 N ATOM 964 CA GLU A 566 -3.628 -12.032 10.686 1.00 60.43 C ATOM 965 C GLU A 566 -4.717 -11.459 9.789 1.00 1.10 C ATOM 966 O GLU A 566 -5.111 -12.084 8.796 1.00 64.13 O ATOM 967 CB GLU A 566 -2.246 -11.684 10.109 1.00 52.54 C ATOM 968 CG GLU A 566 -1.941 -10.198 10.008 1.00 30.13 C ATOM 969 CD GLU A 566 -1.851 -9.538 11.355 1.00 23.43 C ATOM 970 OE1 GLU A 566 -2.880 -9.233 11.956 1.00 13.01 O ATOM 971 OE2 GLU A 566 -0.729 -9.319 11.841 1.00 0.11 O ATOM 0 H GLU A 566 -3.683 -13.949 9.882 1.00 55.13 H new ATOM 0 HA GLU A 566 -3.738 -11.600 11.681 1.00 60.43 H new ATOM 0 HB2 GLU A 566 -1.483 -12.154 10.729 1.00 52.54 H new ATOM 0 HB3 GLU A 566 -2.164 -12.124 9.115 1.00 52.54 H new ATOM 0 HG2 GLU A 566 -1.001 -10.058 9.475 1.00 30.13 H new ATOM 0 HG3 GLU A 566 -2.717 -9.710 9.419 1.00 30.13 H new ATOM 978 N ILE A 567 -5.224 -10.309 10.158 1.00 24.41 N ATOM 979 CA ILE A 567 -6.114 -9.546 9.321 1.00 71.33 C ATOM 980 C ILE A 567 -5.617 -8.140 9.365 1.00 23.55 C ATOM 981 O ILE A 567 -5.050 -7.748 10.383 1.00 42.53 O ATOM 982 CB ILE A 567 -7.610 -9.556 9.738 1.00 44.43 C ATOM 983 CG1 ILE A 567 -7.830 -8.835 11.061 1.00 75.03 C ATOM 984 CG2 ILE A 567 -8.155 -10.972 9.798 1.00 53.01 C ATOM 985 CD1 ILE A 567 -9.068 -7.994 11.052 1.00 25.23 C ATOM 0 H ILE A 567 -5.028 -9.872 11.058 1.00 24.41 H new ATOM 0 HA ILE A 567 -6.100 -10.003 8.332 1.00 71.33 H new ATOM 0 HB ILE A 567 -8.162 -9.013 8.970 1.00 44.43 H new ATOM 0 HG12 ILE A 567 -7.898 -9.568 11.865 1.00 75.03 H new ATOM 0 HG13 ILE A 567 -6.967 -8.205 11.276 1.00 75.03 H new ATOM 0 HG21 ILE A 567 -9.204 -10.946 10.093 1.00 53.01 H new ATOM 0 HG22 ILE A 567 -8.065 -11.438 8.817 1.00 53.01 H new ATOM 0 HG23 ILE A 567 -7.588 -11.550 10.528 1.00 53.01 H new ATOM 0 HD11 ILE A 567 -9.180 -7.501 12.018 1.00 25.23 H new ATOM 0 HD12 ILE A 567 -8.991 -7.242 10.267 1.00 25.23 H new ATOM 0 HD13 ILE A 567 -9.936 -8.626 10.865 1.00 25.23 H new ATOM 997 N VAL A 568 -5.839 -7.389 8.298 1.00 33.41 N ATOM 998 CA VAL A 568 -5.346 -6.003 8.125 1.00 63.52 C ATOM 999 C VAL A 568 -3.792 -5.886 8.440 1.00 11.51 C ATOM 1000 O VAL A 568 -3.127 -6.898 8.693 1.00 14.22 O ATOM 1001 CB VAL A 568 -6.217 -5.001 8.979 1.00 35.31 C ATOM 1002 CG1 VAL A 568 -5.756 -4.846 10.421 1.00 54.23 C ATOM 1003 CG2 VAL A 568 -6.391 -3.673 8.290 1.00 3.34 C ATOM 0 H VAL A 568 -6.379 -7.721 7.499 1.00 33.41 H new ATOM 0 HA VAL A 568 -5.460 -5.725 7.077 1.00 63.52 H new ATOM 0 HB VAL A 568 -7.201 -5.465 9.047 1.00 35.31 H new ATOM 0 HG11 VAL A 568 -6.407 -4.141 10.937 1.00 54.23 H new ATOM 0 HG12 VAL A 568 -5.798 -5.813 10.922 1.00 54.23 H new ATOM 0 HG13 VAL A 568 -4.732 -4.473 10.438 1.00 54.23 H new ATOM 0 HG21 VAL A 568 -6.997 -3.016 8.914 1.00 3.34 H new ATOM 0 HG22 VAL A 568 -5.414 -3.218 8.125 1.00 3.34 H new ATOM 0 HG23 VAL A 568 -6.888 -3.823 7.332 1.00 3.34 H new ATOM 1013 N LYS A 569 -3.219 -4.687 8.371 1.00 75.23 N ATOM 1014 CA LYS A 569 -1.803 -4.481 8.732 1.00 44.12 C ATOM 1015 C LYS A 569 -1.521 -2.997 8.686 1.00 42.41 C ATOM 1016 O LYS A 569 -2.329 -2.246 8.134 1.00 12.44 O ATOM 1017 CB LYS A 569 -0.867 -5.210 7.743 1.00 73.24 C ATOM 1018 CG LYS A 569 0.591 -5.476 8.192 1.00 52.41 C ATOM 1019 CD LYS A 569 0.752 -6.578 9.279 1.00 63.43 C ATOM 1020 CE LYS A 569 0.448 -6.097 10.699 1.00 33.44 C ATOM 1021 NZ LYS A 569 0.740 -7.124 11.719 1.00 32.01 N ATOM 0 H LYS A 569 -3.704 -3.841 8.071 1.00 75.23 H new ATOM 0 HA LYS A 569 -1.621 -4.884 9.728 1.00 44.12 H new ATOM 0 HB2 LYS A 569 -1.322 -6.169 7.496 1.00 73.24 H new ATOM 0 HB3 LYS A 569 -0.833 -4.627 6.822 1.00 73.24 H new ATOM 0 HG2 LYS A 569 1.179 -5.759 7.319 1.00 52.41 H new ATOM 0 HG3 LYS A 569 1.014 -4.546 8.573 1.00 52.41 H new ATOM 0 HD2 LYS A 569 0.091 -7.411 9.039 1.00 63.43 H new ATOM 0 HD3 LYS A 569 1.772 -6.961 9.246 1.00 63.43 H new ATOM 0 HE2 LYS A 569 1.035 -5.203 10.910 1.00 33.44 H new ATOM 0 HE3 LYS A 569 -0.602 -5.812 10.765 1.00 33.44 H new ATOM 0 HZ1 LYS A 569 0.815 -6.674 12.654 1.00 32.01 H new ATOM 0 HZ2 LYS A 569 -0.026 -7.827 11.733 1.00 32.01 H new ATOM 0 HZ3 LYS A 569 1.638 -7.596 11.489 1.00 32.01 H new ATOM 1035 N THR A 570 -0.416 -2.574 9.271 1.00 41.14 N ATOM 1036 CA THR A 570 -0.018 -1.195 9.245 1.00 12.12 C ATOM 1037 C THR A 570 1.400 -1.052 8.739 1.00 1.41 C ATOM 1038 O THR A 570 2.250 -1.919 8.993 1.00 22.40 O ATOM 1039 CB THR A 570 -0.101 -0.521 10.645 1.00 43.22 C ATOM 1040 OG1 THR A 570 0.618 -1.280 11.647 1.00 51.11 O ATOM 1041 CG2 THR A 570 -1.531 -0.303 11.088 1.00 15.53 C ATOM 0 H THR A 570 0.226 -3.185 9.776 1.00 41.14 H new ATOM 0 HA THR A 570 -0.717 -0.697 8.573 1.00 12.12 H new ATOM 0 HB THR A 570 0.374 0.455 10.543 1.00 43.22 H new ATOM 0 HG1 THR A 570 0.817 -0.703 12.414 1.00 51.11 H new ATOM 0 HG21 THR A 570 -1.540 0.170 12.070 1.00 15.53 H new ATOM 0 HG22 THR A 570 -2.040 0.341 10.371 1.00 15.53 H new ATOM 0 HG23 THR A 570 -2.045 -1.262 11.143 1.00 15.53 H new ATOM 1049 N ILE A 571 1.637 -0.010 7.984 1.00 4.33 N ATOM 1050 CA ILE A 571 2.979 0.356 7.615 1.00 71.41 C ATOM 1051 C ILE A 571 3.445 1.331 8.669 1.00 25.52 C ATOM 1052 O ILE A 571 2.785 2.328 8.895 1.00 43.34 O ATOM 1053 CB ILE A 571 3.087 1.058 6.205 1.00 35.22 C ATOM 1054 CG1 ILE A 571 2.767 0.116 5.036 1.00 45.42 C ATOM 1055 CG2 ILE A 571 4.472 1.631 6.006 1.00 60.54 C ATOM 1056 CD1 ILE A 571 1.333 -0.288 4.919 1.00 21.14 C ATOM 0 H ILE A 571 0.912 0.603 7.611 1.00 4.33 H new ATOM 0 HA ILE A 571 3.581 -0.550 7.548 1.00 71.41 H new ATOM 0 HB ILE A 571 2.340 1.852 6.205 1.00 35.22 H new ATOM 0 HG12 ILE A 571 3.068 0.600 4.107 1.00 45.42 H new ATOM 0 HG13 ILE A 571 3.374 -0.783 5.138 1.00 45.42 H new ATOM 0 HG21 ILE A 571 4.530 2.111 5.029 1.00 60.54 H new ATOM 0 HG22 ILE A 571 4.677 2.366 6.785 1.00 60.54 H new ATOM 0 HG23 ILE A 571 5.209 0.829 6.060 1.00 60.54 H new ATOM 0 HD11 ILE A 571 1.211 -0.952 4.064 1.00 21.14 H new ATOM 0 HD12 ILE A 571 1.026 -0.806 5.828 1.00 21.14 H new ATOM 0 HD13 ILE A 571 0.715 0.599 4.780 1.00 21.14 H new ATOM 1068 N SER A 572 4.519 1.027 9.324 1.00 32.34 N ATOM 1069 CA SER A 572 5.037 1.875 10.361 1.00 11.50 C ATOM 1070 C SER A 572 6.154 2.771 9.798 1.00 53.23 C ATOM 1071 O SER A 572 7.233 2.283 9.438 1.00 2.21 O ATOM 1072 CB SER A 572 5.577 0.996 11.491 1.00 24.34 C ATOM 1073 OG SER A 572 4.629 -0.009 11.852 1.00 14.25 O ATOM 0 H SER A 572 5.067 0.183 9.158 1.00 32.34 H new ATOM 0 HA SER A 572 4.245 2.517 10.746 1.00 11.50 H new ATOM 0 HB2 SER A 572 6.509 0.526 11.178 1.00 24.34 H new ATOM 0 HB3 SER A 572 5.807 1.613 12.359 1.00 24.34 H new ATOM 0 HG SER A 572 4.996 -0.560 12.575 1.00 14.25 H new ATOM 1079 N VAL A 573 5.888 4.056 9.682 1.00 0.00 N ATOM 1080 CA VAL A 573 6.887 5.004 9.183 1.00 62.03 C ATOM 1081 C VAL A 573 7.142 6.061 10.234 1.00 4.15 C ATOM 1082 O VAL A 573 6.193 6.630 10.788 1.00 34.14 O ATOM 1083 CB VAL A 573 6.450 5.705 7.856 1.00 74.30 C ATOM 1084 CG1 VAL A 573 7.514 6.684 7.365 1.00 65.30 C ATOM 1085 CG2 VAL A 573 6.154 4.691 6.777 1.00 41.05 C ATOM 0 H VAL A 573 4.991 4.477 9.924 1.00 0.00 H new ATOM 0 HA VAL A 573 7.791 4.434 8.970 1.00 62.03 H new ATOM 0 HB VAL A 573 5.540 6.264 8.074 1.00 74.30 H new ATOM 0 HG11 VAL A 573 7.178 7.153 6.441 1.00 65.30 H new ATOM 0 HG12 VAL A 573 7.680 7.451 8.122 1.00 65.30 H new ATOM 0 HG13 VAL A 573 8.445 6.148 7.182 1.00 65.30 H new ATOM 0 HG21 VAL A 573 5.853 5.207 5.866 1.00 41.05 H new ATOM 0 HG22 VAL A 573 7.047 4.098 6.580 1.00 41.05 H new ATOM 0 HG23 VAL A 573 5.348 4.035 7.106 1.00 41.05 H new ATOM 1095 N LYS A 574 8.399 6.305 10.519 1.00 21.25 N ATOM 1096 CA LYS A 574 8.772 7.305 11.492 1.00 64.30 C ATOM 1097 C LYS A 574 8.988 8.661 10.829 1.00 54.43 C ATOM 1098 O LYS A 574 9.646 8.763 9.793 1.00 54.50 O ATOM 1099 CB LYS A 574 10.015 6.856 12.283 1.00 61.33 C ATOM 1100 CG LYS A 574 10.626 7.924 13.185 1.00 3.20 C ATOM 1101 CD LYS A 574 11.802 7.392 13.991 1.00 60.13 C ATOM 1102 CE LYS A 574 11.366 6.373 15.037 1.00 61.32 C ATOM 1103 NZ LYS A 574 12.504 5.885 15.849 1.00 42.14 N ATOM 0 H LYS A 574 9.186 5.821 10.087 1.00 21.25 H new ATOM 0 HA LYS A 574 7.951 7.418 12.200 1.00 64.30 H new ATOM 0 HB2 LYS A 574 9.746 5.995 12.895 1.00 61.33 H new ATOM 0 HB3 LYS A 574 10.775 6.520 11.577 1.00 61.33 H new ATOM 0 HG2 LYS A 574 10.956 8.766 12.576 1.00 3.20 H new ATOM 0 HG3 LYS A 574 9.863 8.302 13.865 1.00 3.20 H new ATOM 0 HD2 LYS A 574 12.525 6.932 13.317 1.00 60.13 H new ATOM 0 HD3 LYS A 574 12.309 8.222 14.483 1.00 60.13 H new ATOM 0 HE2 LYS A 574 10.621 6.824 15.692 1.00 61.32 H new ATOM 0 HE3 LYS A 574 10.886 5.529 14.542 1.00 61.32 H new ATOM 0 HZ1 LYS A 574 12.161 5.194 16.547 1.00 42.14 H new ATOM 0 HZ2 LYS A 574 13.204 5.431 15.228 1.00 42.14 H new ATOM 0 HZ3 LYS A 574 12.947 6.686 16.343 1.00 42.14 H new ATOM 1117 N VAL A 575 8.408 9.676 11.403 1.00 22.05 N ATOM 1118 CA VAL A 575 8.570 11.021 10.914 1.00 1.14 C ATOM 1119 C VAL A 575 9.653 11.700 11.747 1.00 72.31 C ATOM 1120 O VAL A 575 9.714 11.509 12.975 1.00 35.14 O ATOM 1121 CB VAL A 575 7.228 11.817 10.980 1.00 54.42 C ATOM 1122 CG1 VAL A 575 7.398 13.244 10.465 1.00 51.11 C ATOM 1123 CG2 VAL A 575 6.158 11.098 10.168 1.00 24.43 C ATOM 0 H VAL A 575 7.808 9.597 12.224 1.00 22.05 H new ATOM 0 HA VAL A 575 8.866 10.997 9.865 1.00 1.14 H new ATOM 0 HB VAL A 575 6.921 11.871 12.024 1.00 54.42 H new ATOM 0 HG11 VAL A 575 6.444 13.769 10.525 1.00 51.11 H new ATOM 0 HG12 VAL A 575 8.138 13.765 11.073 1.00 51.11 H new ATOM 0 HG13 VAL A 575 7.733 13.219 9.428 1.00 51.11 H new ATOM 0 HG21 VAL A 575 5.225 11.659 10.219 1.00 24.43 H new ATOM 0 HG22 VAL A 575 6.480 11.021 9.129 1.00 24.43 H new ATOM 0 HG23 VAL A 575 6.003 10.099 10.574 1.00 24.43 H new ATOM 1133 N ILE A 576 10.520 12.444 11.091 1.00 12.21 N ATOM 1134 CA ILE A 576 11.628 13.097 11.751 1.00 25.21 C ATOM 1135 C ILE A 576 11.266 14.572 11.897 1.00 63.54 C ATOM 1136 O ILE A 576 10.333 15.059 11.239 1.00 1.14 O ATOM 1137 CB ILE A 576 12.954 12.956 10.910 1.00 30.44 C ATOM 1138 CG1 ILE A 576 13.199 11.499 10.490 1.00 14.13 C ATOM 1139 CG2 ILE A 576 14.180 13.476 11.673 1.00 72.34 C ATOM 1140 CD1 ILE A 576 13.388 10.520 11.612 1.00 64.34 C ATOM 0 H ILE A 576 10.475 12.612 10.086 1.00 12.21 H new ATOM 0 HA ILE A 576 11.805 12.635 12.722 1.00 25.21 H new ATOM 0 HB ILE A 576 12.816 13.568 10.019 1.00 30.44 H new ATOM 0 HG12 ILE A 576 12.356 11.169 9.883 1.00 14.13 H new ATOM 0 HG13 ILE A 576 14.083 11.468 9.853 1.00 14.13 H new ATOM 0 HG21 ILE A 576 15.070 13.359 11.055 1.00 72.34 H new ATOM 0 HG22 ILE A 576 14.040 14.530 11.911 1.00 72.34 H new ATOM 0 HG23 ILE A 576 14.302 12.909 12.596 1.00 72.34 H new ATOM 0 HD11 ILE A 576 13.553 9.524 11.202 1.00 64.34 H new ATOM 0 HD12 ILE A 576 14.251 10.814 12.210 1.00 64.34 H new ATOM 0 HD13 ILE A 576 12.497 10.510 12.240 1.00 64.34 H new ATOM 1152 N ASP A 577 11.924 15.251 12.787 1.00 64.32 N ATOM 1153 CA ASP A 577 11.708 16.677 12.976 1.00 1.55 C ATOM 1154 C ASP A 577 12.251 17.435 11.778 1.00 74.33 C ATOM 1155 O ASP A 577 13.377 17.173 11.330 1.00 51.15 O ATOM 1156 CB ASP A 577 12.353 17.177 14.273 1.00 3.31 C ATOM 1157 CG ASP A 577 11.672 16.655 15.519 1.00 73.43 C ATOM 1158 OD1 ASP A 577 12.015 15.550 15.992 1.00 14.44 O ATOM 1159 OD2 ASP A 577 10.791 17.344 16.062 1.00 23.14 O ATOM 0 H ASP A 577 12.626 14.846 13.407 1.00 64.32 H new ATOM 0 HA ASP A 577 10.636 16.856 13.060 1.00 1.55 H new ATOM 0 HB2 ASP A 577 13.401 16.879 14.288 1.00 3.31 H new ATOM 0 HB3 ASP A 577 12.332 18.267 14.285 1.00 3.31 H new ATOM 1164 N ASP A 578 11.467 18.369 11.271 1.00 14.23 N ATOM 1165 CA ASP A 578 11.811 19.093 10.044 1.00 55.30 C ATOM 1166 C ASP A 578 13.035 19.961 10.250 1.00 60.45 C ATOM 1167 O ASP A 578 13.174 20.644 11.269 1.00 71.03 O ATOM 1168 CB ASP A 578 10.662 19.943 9.558 1.00 1.03 C ATOM 1169 CG ASP A 578 10.335 19.748 8.084 1.00 50.11 C ATOM 1170 OD1 ASP A 578 11.243 19.375 7.282 1.00 4.13 O ATOM 1171 OD2 ASP A 578 9.105 19.926 7.701 1.00 54.45 O ATOM 0 H ASP A 578 10.580 18.651 11.688 1.00 14.23 H new ATOM 0 HA ASP A 578 12.030 18.343 9.284 1.00 55.30 H new ATOM 0 HB2 ASP A 578 9.776 19.714 10.151 1.00 1.03 H new ATOM 0 HB3 ASP A 578 10.899 20.992 9.732 1.00 1.03 H new ATOM 1176 N GLU A 579 13.885 19.944 9.275 1.00 75.00 N ATOM 1177 CA GLU A 579 15.200 20.551 9.327 1.00 62.31 C ATOM 1178 C GLU A 579 15.459 21.696 8.313 1.00 4.44 C ATOM 1179 O GLU A 579 16.134 22.671 8.641 1.00 50.42 O ATOM 1180 CB GLU A 579 16.262 19.438 9.164 1.00 14.31 C ATOM 1181 CG GLU A 579 15.771 18.147 8.439 1.00 43.41 C ATOM 1182 CD GLU A 579 15.148 18.370 7.069 1.00 4.35 C ATOM 1183 OE1 GLU A 579 15.882 18.428 6.079 1.00 21.14 O ATOM 1184 OE2 GLU A 579 13.857 18.522 6.975 1.00 1.44 O ATOM 0 H GLU A 579 13.687 19.493 8.382 1.00 75.00 H new ATOM 0 HA GLU A 579 15.266 21.040 10.299 1.00 62.31 H new ATOM 0 HB2 GLU A 579 17.109 19.845 8.611 1.00 14.31 H new ATOM 0 HB3 GLU A 579 16.629 19.162 10.152 1.00 14.31 H new ATOM 0 HG2 GLU A 579 16.616 17.467 8.330 1.00 43.41 H new ATOM 0 HG3 GLU A 579 15.041 17.648 9.076 1.00 43.41 H new ATOM 1191 N GLU A 580 14.921 21.605 7.119 1.00 41.03 N ATOM 1192 CA GLU A 580 15.300 22.545 6.068 1.00 65.25 C ATOM 1193 C GLU A 580 14.358 23.756 5.986 1.00 0.11 C ATOM 1194 O GLU A 580 14.794 24.900 6.153 1.00 2.31 O ATOM 1195 CB GLU A 580 15.506 21.832 4.673 1.00 34.20 C ATOM 1196 CG GLU A 580 14.251 21.314 3.927 1.00 4.42 C ATOM 1197 CD GLU A 580 13.423 20.334 4.701 1.00 25.52 C ATOM 1198 OE1 GLU A 580 12.830 20.669 5.690 1.00 70.12 O ATOM 1199 OE2 GLU A 580 13.311 19.175 4.385 1.00 42.44 O ATOM 0 H GLU A 580 14.231 20.906 6.845 1.00 41.03 H new ATOM 0 HA GLU A 580 16.273 22.947 6.352 1.00 65.25 H new ATOM 0 HB2 GLU A 580 16.021 22.531 4.014 1.00 34.20 H new ATOM 0 HB3 GLU A 580 16.176 20.986 4.826 1.00 34.20 H new ATOM 0 HG2 GLU A 580 13.626 22.166 3.660 1.00 4.42 H new ATOM 0 HG3 GLU A 580 14.567 20.846 2.995 1.00 4.42 H new ATOM 1206 N TYR A 581 13.096 23.496 5.731 1.00 54.24 N ATOM 1207 CA TYR A 581 12.066 24.500 5.614 1.00 5.31 C ATOM 1208 C TYR A 581 10.740 23.772 5.711 1.00 14.40 C ATOM 1209 O TYR A 581 10.673 22.569 5.393 1.00 54.40 O ATOM 1210 CB TYR A 581 12.172 25.311 4.288 1.00 23.52 C ATOM 1211 CG TYR A 581 11.836 24.532 3.045 1.00 23.33 C ATOM 1212 CD1 TYR A 581 10.523 24.371 2.668 1.00 14.53 C ATOM 1213 CD2 TYR A 581 12.817 23.948 2.266 1.00 52.41 C ATOM 1214 CE1 TYR A 581 10.180 23.662 1.579 1.00 13.42 C ATOM 1215 CE2 TYR A 581 12.484 23.220 1.146 1.00 44.33 C ATOM 1216 CZ TYR A 581 11.160 23.076 0.807 1.00 54.30 C ATOM 1217 OH TYR A 581 10.813 22.350 -0.307 1.00 22.52 O ATOM 0 H TYR A 581 12.748 22.547 5.595 1.00 54.24 H new ATOM 0 HA TYR A 581 12.171 25.238 6.409 1.00 5.31 H new ATOM 0 HB2 TYR A 581 11.507 26.173 4.351 1.00 23.52 H new ATOM 0 HB3 TYR A 581 13.187 25.698 4.195 1.00 23.52 H new ATOM 0 HD1 TYR A 581 9.746 24.827 3.264 1.00 14.53 H new ATOM 0 HD2 TYR A 581 13.856 24.064 2.539 1.00 52.41 H new ATOM 0 HE1 TYR A 581 9.140 23.552 1.310 1.00 13.42 H new ATOM 0 HE2 TYR A 581 13.255 22.767 0.540 1.00 44.33 H new ATOM 0 HH TYR A 581 11.623 22.006 -0.739 1.00 22.52 H new ATOM 1227 N GLU A 582 9.709 24.432 6.142 1.00 44.13 N ATOM 1228 CA GLU A 582 8.440 23.753 6.301 1.00 62.54 C ATOM 1229 C GLU A 582 7.590 23.811 5.031 1.00 15.23 C ATOM 1230 O GLU A 582 7.610 24.802 4.302 1.00 11.21 O ATOM 1231 CB GLU A 582 7.648 24.304 7.486 1.00 45.13 C ATOM 1232 CG GLU A 582 8.428 24.431 8.790 1.00 64.24 C ATOM 1233 CD GLU A 582 9.126 23.166 9.205 1.00 2.25 C ATOM 1234 OE1 GLU A 582 8.493 22.081 9.205 1.00 34.32 O ATOM 1235 OE2 GLU A 582 10.299 23.229 9.577 1.00 1.22 O ATOM 0 H GLU A 582 9.709 25.422 6.389 1.00 44.13 H new ATOM 0 HA GLU A 582 8.678 22.708 6.500 1.00 62.54 H new ATOM 0 HB2 GLU A 582 7.260 25.286 7.217 1.00 45.13 H new ATOM 0 HB3 GLU A 582 6.787 23.658 7.658 1.00 45.13 H new ATOM 0 HG2 GLU A 582 9.167 25.225 8.684 1.00 64.24 H new ATOM 0 HG3 GLU A 582 7.745 24.735 9.583 1.00 64.24 H new ATOM 1242 N LYS A 583 6.870 22.724 4.774 1.00 53.24 N ATOM 1243 CA LYS A 583 5.934 22.598 3.674 1.00 61.12 C ATOM 1244 C LYS A 583 5.149 21.321 3.889 1.00 64.42 C ATOM 1245 O LYS A 583 5.528 20.492 4.719 1.00 53.51 O ATOM 1246 CB LYS A 583 6.652 22.475 2.328 1.00 14.03 C ATOM 1247 CG LYS A 583 7.453 21.182 2.183 1.00 35.30 C ATOM 1248 CD LYS A 583 8.022 21.008 0.796 1.00 5.13 C ATOM 1249 CE LYS A 583 6.939 20.892 -0.272 1.00 11.32 C ATOM 1250 NZ LYS A 583 7.511 20.735 -1.620 1.00 63.42 N ATOM 0 H LYS A 583 6.927 21.882 5.347 1.00 53.24 H new ATOM 0 HA LYS A 583 5.302 23.485 3.651 1.00 61.12 H new ATOM 0 HB2 LYS A 583 5.916 22.530 1.526 1.00 14.03 H new ATOM 0 HB3 LYS A 583 7.323 23.325 2.204 1.00 14.03 H new ATOM 0 HG2 LYS A 583 8.266 21.179 2.909 1.00 35.30 H new ATOM 0 HG3 LYS A 583 6.812 20.333 2.419 1.00 35.30 H new ATOM 0 HD2 LYS A 583 8.667 21.855 0.563 1.00 5.13 H new ATOM 0 HD3 LYS A 583 8.647 20.115 0.773 1.00 5.13 H new ATOM 0 HE2 LYS A 583 6.298 20.039 -0.048 1.00 11.32 H new ATOM 0 HE3 LYS A 583 6.308 21.780 -0.247 1.00 11.32 H new ATOM 0 HZ1 LYS A 583 6.752 20.796 -2.328 1.00 63.42 H new ATOM 0 HZ2 LYS A 583 8.206 21.489 -1.792 1.00 63.42 H new ATOM 0 HZ3 LYS A 583 7.979 19.809 -1.693 1.00 63.42 H new ATOM 1264 N ASN A 584 4.108 21.124 3.146 1.00 14.45 N ATOM 1265 CA ASN A 584 3.385 19.878 3.227 1.00 14.44 C ATOM 1266 C ASN A 584 4.009 18.918 2.263 1.00 31.23 C ATOM 1267 O ASN A 584 3.544 18.747 1.133 1.00 74.42 O ATOM 1268 CB ASN A 584 1.882 20.020 2.952 1.00 54.13 C ATOM 1269 CG ASN A 584 1.148 20.894 3.953 1.00 43.02 C ATOM 1270 OD1 ASN A 584 0.148 21.515 3.622 1.00 72.45 O ATOM 1271 ND2 ASN A 584 1.622 20.952 5.171 1.00 64.21 N ATOM 0 H ASN A 584 3.735 21.799 2.478 1.00 14.45 H new ATOM 0 HA ASN A 584 3.457 19.512 4.251 1.00 14.44 H new ATOM 0 HB2 ASN A 584 1.744 20.435 1.954 1.00 54.13 H new ATOM 0 HB3 ASN A 584 1.429 19.029 2.950 1.00 54.13 H new ATOM 0 HD21 ASN A 584 1.155 21.526 5.873 1.00 64.21 H new ATOM 0 HD22 ASN A 584 2.458 20.423 5.419 1.00 64.21 H new ATOM 1278 N LYS A 585 5.123 18.362 2.677 1.00 4.22 N ATOM 1279 CA LYS A 585 5.862 17.465 1.842 1.00 62.24 C ATOM 1280 C LYS A 585 5.183 16.107 1.885 1.00 1.22 C ATOM 1281 O LYS A 585 4.323 15.868 2.745 1.00 72.34 O ATOM 1282 CB LYS A 585 7.381 17.427 2.233 1.00 42.51 C ATOM 1283 CG LYS A 585 7.847 16.357 3.234 1.00 45.30 C ATOM 1284 CD LYS A 585 7.145 16.376 4.580 1.00 11.55 C ATOM 1285 CE LYS A 585 7.382 17.659 5.396 1.00 13.13 C ATOM 1286 NZ LYS A 585 8.808 17.881 5.693 1.00 50.03 N ATOM 0 H LYS A 585 5.535 18.521 3.597 1.00 4.22 H new ATOM 0 HA LYS A 585 5.856 17.815 0.810 1.00 62.24 H new ATOM 0 HB2 LYS A 585 7.958 17.299 1.317 1.00 42.51 H new ATOM 0 HB3 LYS A 585 7.644 18.403 2.642 1.00 42.51 H new ATOM 0 HG2 LYS A 585 7.705 15.375 2.783 1.00 45.30 H new ATOM 0 HG3 LYS A 585 8.917 16.480 3.400 1.00 45.30 H new ATOM 0 HD2 LYS A 585 6.074 16.253 4.420 1.00 11.55 H new ATOM 0 HD3 LYS A 585 7.481 15.520 5.165 1.00 11.55 H new ATOM 0 HE2 LYS A 585 6.991 18.514 4.845 1.00 13.13 H new ATOM 0 HE3 LYS A 585 6.824 17.600 6.330 1.00 13.13 H new ATOM 0 HZ1 LYS A 585 8.898 18.558 6.477 1.00 50.03 H new ATOM 0 HZ2 LYS A 585 9.251 16.979 5.962 1.00 50.03 H new ATOM 0 HZ3 LYS A 585 9.283 18.262 4.850 1.00 50.03 H new ATOM 1300 N THR A 586 5.535 15.235 1.002 1.00 15.13 N ATOM 1301 CA THR A 586 4.842 14.006 0.898 1.00 14.40 C ATOM 1302 C THR A 586 5.719 12.937 0.318 1.00 33.41 C ATOM 1303 O THR A 586 6.606 13.212 -0.511 1.00 73.43 O ATOM 1304 CB THR A 586 3.512 14.204 0.086 1.00 12.43 C ATOM 1305 OG1 THR A 586 2.800 12.984 -0.077 1.00 64.13 O ATOM 1306 CG2 THR A 586 3.752 14.825 -1.277 1.00 62.34 C ATOM 0 H THR A 586 6.303 15.356 0.341 1.00 15.13 H new ATOM 0 HA THR A 586 4.568 13.667 1.897 1.00 14.40 H new ATOM 0 HB THR A 586 2.909 14.891 0.679 1.00 12.43 H new ATOM 0 HG1 THR A 586 3.020 12.376 0.659 1.00 64.13 H new ATOM 0 HG21 THR A 586 2.801 14.940 -1.797 1.00 62.34 H new ATOM 0 HG22 THR A 586 4.219 15.802 -1.154 1.00 62.34 H new ATOM 0 HG23 THR A 586 4.409 14.180 -1.860 1.00 62.34 H new ATOM 1314 N PHE A 587 5.509 11.752 0.823 1.00 55.40 N ATOM 1315 CA PHE A 587 6.168 10.574 0.390 1.00 60.15 C ATOM 1316 C PHE A 587 5.148 9.536 0.031 1.00 41.02 C ATOM 1317 O PHE A 587 4.045 9.501 0.602 1.00 11.05 O ATOM 1318 CB PHE A 587 7.209 10.054 1.407 1.00 5.24 C ATOM 1319 CG PHE A 587 6.853 10.151 2.879 1.00 14.52 C ATOM 1320 CD1 PHE A 587 5.941 9.297 3.493 1.00 62.32 C ATOM 1321 CD2 PHE A 587 7.496 11.076 3.656 1.00 3.23 C ATOM 1322 CE1 PHE A 587 5.706 9.394 4.863 1.00 11.02 C ATOM 1323 CE2 PHE A 587 7.254 11.172 5.006 1.00 15.35 C ATOM 1324 CZ PHE A 587 6.363 10.328 5.608 1.00 12.12 C ATOM 0 H PHE A 587 4.844 11.586 1.578 1.00 55.40 H new ATOM 0 HA PHE A 587 6.748 10.817 -0.500 1.00 60.15 H new ATOM 0 HB2 PHE A 587 7.412 9.008 1.177 1.00 5.24 H new ATOM 0 HB3 PHE A 587 8.138 10.601 1.248 1.00 5.24 H new ATOM 0 HD1 PHE A 587 5.415 8.558 2.907 1.00 62.32 H new ATOM 0 HD2 PHE A 587 8.209 11.745 3.199 1.00 3.23 H new ATOM 0 HE1 PHE A 587 5.001 8.727 5.336 1.00 11.02 H new ATOM 0 HE2 PHE A 587 7.770 11.917 5.593 1.00 15.35 H new ATOM 0 HZ PHE A 587 6.180 10.401 6.670 1.00 12.12 H new ATOM 1334 N PHE A 588 5.485 8.722 -0.911 1.00 51.40 N ATOM 1335 CA PHE A 588 4.575 7.753 -1.431 1.00 70.33 C ATOM 1336 C PHE A 588 4.954 6.394 -0.896 1.00 11.45 C ATOM 1337 O PHE A 588 6.118 6.029 -0.903 1.00 55.20 O ATOM 1338 CB PHE A 588 4.643 7.757 -2.966 1.00 24.33 C ATOM 1339 CG PHE A 588 4.680 9.146 -3.562 1.00 53.15 C ATOM 1340 CD1 PHE A 588 3.575 9.969 -3.521 1.00 12.14 C ATOM 1341 CD2 PHE A 588 5.835 9.622 -4.156 1.00 35.11 C ATOM 1342 CE1 PHE A 588 3.618 11.240 -4.057 1.00 15.05 C ATOM 1343 CE2 PHE A 588 5.887 10.889 -4.694 1.00 30.12 C ATOM 1344 CZ PHE A 588 4.776 11.700 -4.643 1.00 22.24 C ATOM 0 H PHE A 588 6.407 8.708 -1.347 1.00 51.40 H new ATOM 0 HA PHE A 588 3.557 7.992 -1.125 1.00 70.33 H new ATOM 0 HB2 PHE A 588 5.530 7.209 -3.284 1.00 24.33 H new ATOM 0 HB3 PHE A 588 3.779 7.223 -3.362 1.00 24.33 H new ATOM 0 HD1 PHE A 588 2.663 9.614 -3.063 1.00 12.14 H new ATOM 0 HD2 PHE A 588 6.710 8.990 -4.199 1.00 35.11 H new ATOM 0 HE1 PHE A 588 2.744 11.873 -4.017 1.00 15.05 H new ATOM 0 HE2 PHE A 588 6.797 11.245 -5.154 1.00 30.12 H new ATOM 0 HZ PHE A 588 4.812 12.695 -5.062 1.00 22.24 H new ATOM 1354 N LEU A 589 4.008 5.680 -0.387 1.00 32.31 N ATOM 1355 CA LEU A 589 4.268 4.352 0.084 1.00 75.43 C ATOM 1356 C LEU A 589 3.802 3.416 -1.007 1.00 54.44 C ATOM 1357 O LEU A 589 2.651 3.509 -1.467 1.00 55.25 O ATOM 1358 CB LEU A 589 3.504 4.072 1.399 1.00 72.41 C ATOM 1359 CG LEU A 589 4.070 2.990 2.360 1.00 12.30 C ATOM 1360 CD1 LEU A 589 4.193 1.620 1.716 1.00 74.22 C ATOM 1361 CD2 LEU A 589 5.394 3.430 2.925 1.00 64.42 C ATOM 0 H LEU A 589 3.042 5.991 -0.284 1.00 32.31 H new ATOM 0 HA LEU A 589 5.328 4.216 0.300 1.00 75.43 H new ATOM 0 HB2 LEU A 589 3.440 5.009 1.953 1.00 72.41 H new ATOM 0 HB3 LEU A 589 2.485 3.786 1.138 1.00 72.41 H new ATOM 0 HG LEU A 589 3.347 2.885 3.169 1.00 12.30 H new ATOM 0 HD11 LEU A 589 4.594 0.912 2.441 1.00 74.22 H new ATOM 0 HD12 LEU A 589 3.210 1.284 1.386 1.00 74.22 H new ATOM 0 HD13 LEU A 589 4.863 1.680 0.858 1.00 74.22 H new ATOM 0 HD21 LEU A 589 5.777 2.661 3.596 1.00 64.42 H new ATOM 0 HD22 LEU A 589 6.102 3.587 2.112 1.00 64.42 H new ATOM 0 HD23 LEU A 589 5.263 4.361 3.477 1.00 64.42 H new ATOM 1373 N GLU A 590 4.674 2.569 -1.447 1.00 54.44 N ATOM 1374 CA GLU A 590 4.347 1.628 -2.468 1.00 60.45 C ATOM 1375 C GLU A 590 4.637 0.235 -1.997 1.00 22.25 C ATOM 1376 O GLU A 590 5.698 -0.035 -1.419 1.00 53.12 O ATOM 1377 CB GLU A 590 5.113 1.936 -3.759 1.00 52.25 C ATOM 1378 CG GLU A 590 4.895 0.922 -4.869 1.00 53.34 C ATOM 1379 CD GLU A 590 5.538 1.323 -6.162 1.00 5.54 C ATOM 1380 OE1 GLU A 590 6.732 1.050 -6.363 1.00 20.33 O ATOM 1381 OE2 GLU A 590 4.836 1.921 -7.017 1.00 74.44 O ATOM 0 H GLU A 590 5.634 2.510 -1.108 1.00 54.44 H new ATOM 0 HA GLU A 590 3.282 1.707 -2.685 1.00 60.45 H new ATOM 0 HB2 GLU A 590 4.816 2.921 -4.118 1.00 52.25 H new ATOM 0 HB3 GLU A 590 6.178 1.987 -3.533 1.00 52.25 H new ATOM 0 HG2 GLU A 590 5.293 -0.043 -4.555 1.00 53.34 H new ATOM 0 HG3 GLU A 590 3.825 0.789 -5.027 1.00 53.34 H new ATOM 1388 N ILE A 591 3.684 -0.627 -2.199 1.00 31.41 N ATOM 1389 CA ILE A 591 3.850 -2.006 -1.917 1.00 75.12 C ATOM 1390 C ILE A 591 4.108 -2.702 -3.229 1.00 33.32 C ATOM 1391 O ILE A 591 3.578 -2.284 -4.277 1.00 73.02 O ATOM 1392 CB ILE A 591 2.613 -2.628 -1.190 1.00 42.13 C ATOM 1393 CG1 ILE A 591 1.319 -2.452 -2.009 1.00 5.31 C ATOM 1394 CG2 ILE A 591 2.452 -2.031 0.206 1.00 4.44 C ATOM 1395 CD1 ILE A 591 0.084 -3.020 -1.333 1.00 4.10 C ATOM 0 H ILE A 591 2.765 -0.382 -2.568 1.00 31.41 H new ATOM 0 HA ILE A 591 4.687 -2.135 -1.231 1.00 75.12 H new ATOM 0 HB ILE A 591 2.795 -3.698 -1.093 1.00 42.13 H new ATOM 0 HG12 ILE A 591 1.162 -1.390 -2.199 1.00 5.31 H new ATOM 0 HG13 ILE A 591 1.445 -2.934 -2.978 1.00 5.31 H new ATOM 0 HG21 ILE A 591 1.586 -2.477 0.695 1.00 4.44 H new ATOM 0 HG22 ILE A 591 3.346 -2.236 0.795 1.00 4.44 H new ATOM 0 HG23 ILE A 591 2.309 -0.953 0.127 1.00 4.44 H new ATOM 0 HD11 ILE A 591 -0.786 -2.858 -1.969 1.00 4.10 H new ATOM 0 HD12 ILE A 591 0.219 -4.089 -1.167 1.00 4.10 H new ATOM 0 HD13 ILE A 591 -0.069 -2.521 -0.376 1.00 4.10 H new ATOM 1407 N GLY A 592 4.942 -3.688 -3.201 1.00 0.13 N ATOM 1408 CA GLY A 592 5.256 -4.410 -4.393 1.00 20.33 C ATOM 1409 C GLY A 592 4.306 -5.552 -4.579 1.00 31.14 C ATOM 1410 O GLY A 592 3.139 -5.476 -4.170 1.00 14.44 O ATOM 0 H GLY A 592 5.421 -4.015 -2.362 1.00 0.13 H new ATOM 0 HA2 GLY A 592 5.205 -3.743 -5.254 1.00 20.33 H new ATOM 0 HA3 GLY A 592 6.278 -4.784 -4.340 1.00 20.33 H new ATOM 1414 N GLU A 593 4.781 -6.593 -5.174 1.00 34.14 N ATOM 1415 CA GLU A 593 3.990 -7.765 -5.362 1.00 41.15 C ATOM 1416 C GLU A 593 4.018 -8.594 -4.081 1.00 53.43 C ATOM 1417 O GLU A 593 5.094 -8.845 -3.524 1.00 64.11 O ATOM 1418 CB GLU A 593 4.549 -8.591 -6.510 1.00 21.44 C ATOM 1419 CG GLU A 593 3.826 -9.900 -6.741 1.00 25.20 C ATOM 1420 CD GLU A 593 4.642 -10.842 -7.556 1.00 13.20 C ATOM 1421 OE1 GLU A 593 5.754 -11.202 -7.111 1.00 63.53 O ATOM 1422 OE2 GLU A 593 4.209 -11.250 -8.660 1.00 61.02 O ATOM 0 H GLU A 593 5.729 -6.657 -5.545 1.00 34.14 H new ATOM 0 HA GLU A 593 2.966 -7.477 -5.598 1.00 41.15 H new ATOM 0 HB2 GLU A 593 4.506 -7.999 -7.424 1.00 21.44 H new ATOM 0 HB3 GLU A 593 5.601 -8.799 -6.315 1.00 21.44 H new ATOM 0 HG2 GLU A 593 3.589 -10.360 -5.781 1.00 25.20 H new ATOM 0 HG3 GLU A 593 2.879 -9.709 -7.245 1.00 25.20 H new ATOM 1429 N PRO A 594 2.866 -8.980 -3.564 1.00 42.44 N ATOM 1430 CA PRO A 594 2.797 -9.880 -2.429 1.00 32.34 C ATOM 1431 C PRO A 594 3.206 -11.299 -2.859 1.00 22.34 C ATOM 1432 O PRO A 594 2.941 -11.716 -3.982 1.00 42.22 O ATOM 1433 CB PRO A 594 1.326 -9.835 -2.034 1.00 25.04 C ATOM 1434 CG PRO A 594 0.613 -9.461 -3.277 1.00 53.35 C ATOM 1435 CD PRO A 594 1.536 -8.568 -4.036 1.00 44.03 C ATOM 0 HA PRO A 594 3.461 -9.602 -1.611 1.00 32.34 H new ATOM 0 HB2 PRO A 594 0.987 -10.801 -1.659 1.00 25.04 H new ATOM 0 HB3 PRO A 594 1.151 -9.106 -1.243 1.00 25.04 H new ATOM 0 HG2 PRO A 594 0.360 -10.346 -3.861 1.00 53.35 H new ATOM 0 HG3 PRO A 594 -0.323 -8.950 -3.050 1.00 53.35 H new ATOM 0 HD2 PRO A 594 1.431 -8.702 -5.113 1.00 44.03 H new ATOM 0 HD3 PRO A 594 1.342 -7.516 -3.826 1.00 44.03 H new ATOM 1443 N ARG A 595 3.835 -12.037 -1.987 1.00 11.14 N ATOM 1444 CA ARG A 595 4.320 -13.344 -2.364 1.00 24.41 C ATOM 1445 C ARG A 595 3.817 -14.383 -1.389 1.00 60.25 C ATOM 1446 O ARG A 595 3.788 -14.144 -0.173 1.00 35.41 O ATOM 1447 CB ARG A 595 5.859 -13.351 -2.442 1.00 20.21 C ATOM 1448 CG ARG A 595 6.565 -13.223 -1.101 1.00 52.51 C ATOM 1449 CD ARG A 595 8.058 -13.070 -1.275 1.00 53.33 C ATOM 1450 NE ARG A 595 8.780 -13.256 -0.012 1.00 22.54 N ATOM 1451 CZ ARG A 595 9.484 -12.316 0.622 1.00 61.44 C ATOM 1452 NH1 ARG A 595 9.534 -11.080 0.150 1.00 42.01 N ATOM 1453 NH2 ARG A 595 10.143 -12.608 1.735 1.00 44.42 N ATOM 0 H ARG A 595 4.024 -11.765 -1.022 1.00 11.14 H new ATOM 0 HA ARG A 595 3.938 -13.590 -3.355 1.00 24.41 H new ATOM 0 HB2 ARG A 595 6.181 -14.277 -2.919 1.00 20.21 H new ATOM 0 HB3 ARG A 595 6.180 -12.532 -3.086 1.00 20.21 H new ATOM 0 HG2 ARG A 595 6.170 -12.362 -0.561 1.00 52.51 H new ATOM 0 HG3 ARG A 595 6.357 -14.103 -0.493 1.00 52.51 H new ATOM 0 HD2 ARG A 595 8.414 -13.796 -2.006 1.00 53.33 H new ATOM 0 HD3 ARG A 595 8.277 -12.080 -1.675 1.00 53.33 H new ATOM 0 HE ARG A 595 8.741 -14.180 0.417 1.00 22.54 H new ATOM 0 HH11 ARG A 595 9.032 -10.840 -0.705 1.00 42.01 H new ATOM 0 HH12 ARG A 595 10.075 -10.368 0.641 1.00 42.01 H new ATOM 0 HH21 ARG A 595 10.114 -13.556 2.111 1.00 44.42 H new ATOM 0 HH22 ARG A 595 10.679 -11.885 2.215 1.00 44.42 H new ATOM 1467 N LEU A 596 3.407 -15.512 -1.902 1.00 4.42 N ATOM 1468 CA LEU A 596 2.914 -16.571 -1.069 1.00 11.30 C ATOM 1469 C LEU A 596 4.129 -17.316 -0.533 1.00 10.21 C ATOM 1470 O LEU A 596 5.035 -17.672 -1.301 1.00 51.21 O ATOM 1471 CB LEU A 596 2.035 -17.539 -1.888 1.00 21.02 C ATOM 1472 CG LEU A 596 0.699 -18.023 -1.253 1.00 14.13 C ATOM 1473 CD1 LEU A 596 0.844 -18.439 0.208 1.00 35.33 C ATOM 1474 CD2 LEU A 596 -0.401 -16.994 -1.432 1.00 23.41 C ATOM 0 H LEU A 596 3.406 -15.721 -2.900 1.00 4.42 H new ATOM 0 HA LEU A 596 2.305 -16.168 -0.260 1.00 11.30 H new ATOM 0 HB2 LEU A 596 1.799 -17.056 -2.836 1.00 21.02 H new ATOM 0 HB3 LEU A 596 2.634 -18.420 -2.120 1.00 21.02 H new ATOM 0 HG LEU A 596 0.412 -18.924 -1.795 1.00 14.13 H new ATOM 0 HD11 LEU A 596 -0.123 -18.766 0.591 1.00 35.33 H new ATOM 0 HD12 LEU A 596 1.560 -19.257 0.284 1.00 35.33 H new ATOM 0 HD13 LEU A 596 1.199 -17.591 0.794 1.00 35.33 H new ATOM 0 HD21 LEU A 596 -1.321 -17.362 -0.978 1.00 23.41 H new ATOM 0 HD22 LEU A 596 -0.107 -16.060 -0.952 1.00 23.41 H new ATOM 0 HD23 LEU A 596 -0.566 -16.819 -2.495 1.00 23.41 H new ATOM 1486 N VAL A 597 4.180 -17.511 0.758 1.00 12.22 N ATOM 1487 CA VAL A 597 5.286 -18.225 1.380 1.00 5.23 C ATOM 1488 C VAL A 597 5.148 -19.729 1.129 1.00 61.22 C ATOM 1489 O VAL A 597 6.137 -20.457 1.055 1.00 4.22 O ATOM 1490 CB VAL A 597 5.362 -17.918 2.908 1.00 43.35 C ATOM 1491 CG1 VAL A 597 6.470 -18.709 3.596 1.00 3.42 C ATOM 1492 CG2 VAL A 597 5.578 -16.426 3.129 1.00 31.42 C ATOM 0 H VAL A 597 3.467 -17.186 1.412 1.00 12.22 H new ATOM 0 HA VAL A 597 6.217 -17.882 0.929 1.00 5.23 H new ATOM 0 HB VAL A 597 4.414 -18.223 3.351 1.00 43.35 H new ATOM 0 HG11 VAL A 597 6.486 -18.464 4.658 1.00 3.42 H new ATOM 0 HG12 VAL A 597 6.286 -19.776 3.473 1.00 3.42 H new ATOM 0 HG13 VAL A 597 7.431 -18.453 3.150 1.00 3.42 H new ATOM 0 HG21 VAL A 597 5.630 -16.220 4.198 1.00 31.42 H new ATOM 0 HG22 VAL A 597 6.510 -16.119 2.655 1.00 31.42 H new ATOM 0 HG23 VAL A 597 4.749 -15.870 2.692 1.00 31.42 H new ATOM 2055 N ARG A 633 0.005 -16.877 -7.247 1.00 1.51 N ATOM 2056 CA ARG A 633 0.706 -15.690 -6.806 1.00 63.24 C ATOM 2057 C ARG A 633 -0.295 -14.613 -6.424 1.00 4.43 C ATOM 2058 O ARG A 633 -1.132 -14.235 -7.233 1.00 35.13 O ATOM 2059 CB ARG A 633 1.658 -15.167 -7.893 1.00 52.42 C ATOM 2060 CG ARG A 633 2.755 -16.150 -8.255 1.00 1.14 C ATOM 2061 CD ARG A 633 3.694 -15.603 -9.321 1.00 60.24 C ATOM 2062 NE ARG A 633 4.480 -14.441 -8.868 1.00 3.40 N ATOM 2063 CZ ARG A 633 5.809 -14.289 -9.037 1.00 54.20 C ATOM 2064 NH1 ARG A 633 6.530 -15.187 -9.702 1.00 63.24 N ATOM 2065 NH2 ARG A 633 6.417 -13.239 -8.572 1.00 71.42 N ATOM 0 HA ARG A 633 1.306 -15.953 -5.935 1.00 63.24 H new ATOM 0 HB2 ARG A 633 1.082 -14.931 -8.788 1.00 52.42 H new ATOM 0 HB3 ARG A 633 2.112 -14.237 -7.551 1.00 52.42 H new ATOM 0 HG2 ARG A 633 3.328 -16.396 -7.361 1.00 1.14 H new ATOM 0 HG3 ARG A 633 2.306 -17.077 -8.611 1.00 1.14 H new ATOM 0 HD2 ARG A 633 4.376 -16.394 -9.634 1.00 60.24 H new ATOM 0 HD3 ARG A 633 3.111 -15.319 -10.197 1.00 60.24 H new ATOM 0 HE ARG A 633 3.979 -13.693 -8.389 1.00 3.40 H new ATOM 0 HH11 ARG A 633 6.079 -16.012 -10.097 1.00 63.24 H new ATOM 0 HH12 ARG A 633 7.534 -15.051 -9.817 1.00 63.24 H new ATOM 0 HH21 ARG A 633 5.889 -12.522 -8.075 1.00 71.42 H new ATOM 0 HH22 ARG A 633 7.423 -13.132 -8.704 1.00 71.42 H new ATOM 2079 N PRO A 634 -0.259 -14.144 -5.173 1.00 32.42 N ATOM 2080 CA PRO A 634 -1.142 -13.083 -4.716 1.00 62.04 C ATOM 2081 C PRO A 634 -0.785 -11.766 -5.390 1.00 23.14 C ATOM 2082 O PRO A 634 0.376 -11.526 -5.700 1.00 43.23 O ATOM 2083 CB PRO A 634 -0.912 -13.036 -3.210 1.00 74.32 C ATOM 2084 CG PRO A 634 0.432 -13.639 -2.996 1.00 53.21 C ATOM 2085 CD PRO A 634 0.661 -14.599 -4.124 1.00 15.05 C ATOM 0 HA PRO A 634 -2.190 -13.259 -4.960 1.00 62.04 H new ATOM 0 HB2 PRO A 634 -0.946 -12.012 -2.839 1.00 74.32 H new ATOM 0 HB3 PRO A 634 -1.682 -13.594 -2.677 1.00 74.32 H new ATOM 0 HG2 PRO A 634 1.203 -12.869 -2.981 1.00 53.21 H new ATOM 0 HG3 PRO A 634 0.477 -14.153 -2.036 1.00 53.21 H new ATOM 0 HD2 PRO A 634 1.696 -14.575 -4.464 1.00 15.05 H new ATOM 0 HD3 PRO A 634 0.448 -15.625 -3.824 1.00 15.05 H new ATOM 2093 N ILE A 635 -1.766 -10.918 -5.635 1.00 43.40 N ATOM 2094 CA ILE A 635 -1.518 -9.717 -6.399 1.00 2.32 C ATOM 2095 C ILE A 635 -2.144 -8.451 -5.816 1.00 71.20 C ATOM 2096 O ILE A 635 -2.708 -8.457 -4.708 1.00 60.45 O ATOM 2097 CB ILE A 635 -1.856 -9.899 -7.917 1.00 1.42 C ATOM 2098 CG1 ILE A 635 -3.212 -10.618 -8.171 1.00 45.53 C ATOM 2099 CG2 ILE A 635 -0.735 -10.631 -8.618 1.00 43.54 C ATOM 2100 CD1 ILE A 635 -4.453 -9.840 -7.794 1.00 35.50 C ATOM 0 H ILE A 635 -2.729 -11.038 -5.320 1.00 43.40 H new ATOM 0 HA ILE A 635 -0.443 -9.557 -6.319 1.00 2.32 H new ATOM 0 HB ILE A 635 -1.960 -8.896 -8.331 1.00 1.42 H new ATOM 0 HG12 ILE A 635 -3.274 -10.872 -9.229 1.00 45.53 H new ATOM 0 HG13 ILE A 635 -3.213 -11.557 -7.617 1.00 45.53 H new ATOM 0 HG21 ILE A 635 -0.982 -10.751 -9.673 1.00 43.54 H new ATOM 0 HG22 ILE A 635 0.188 -10.058 -8.525 1.00 43.54 H new ATOM 0 HG23 ILE A 635 -0.601 -11.612 -8.163 1.00 43.54 H new ATOM 0 HD11 ILE A 635 -5.338 -10.437 -8.014 1.00 35.50 H new ATOM 0 HD12 ILE A 635 -4.428 -9.608 -6.729 1.00 35.50 H new ATOM 0 HD13 ILE A 635 -4.489 -8.913 -8.367 1.00 35.50 H new ATOM 2112 N LEU A 636 -2.012 -7.370 -6.554 1.00 35.44 N ATOM 2113 CA LEU A 636 -2.484 -6.070 -6.136 1.00 54.32 C ATOM 2114 C LEU A 636 -3.997 -5.960 -6.324 1.00 31.54 C ATOM 2115 O LEU A 636 -4.581 -6.674 -7.131 1.00 12.33 O ATOM 2116 CB LEU A 636 -1.703 -4.936 -6.886 1.00 65.34 C ATOM 2117 CG LEU A 636 -2.009 -4.604 -8.389 1.00 42.43 C ATOM 2118 CD1 LEU A 636 -2.257 -5.821 -9.273 1.00 54.51 C ATOM 2119 CD2 LEU A 636 -3.106 -3.563 -8.532 1.00 65.43 C ATOM 0 H LEU A 636 -1.568 -7.370 -7.472 1.00 35.44 H new ATOM 0 HA LEU A 636 -2.287 -5.945 -5.071 1.00 54.32 H new ATOM 0 HB2 LEU A 636 -1.851 -4.017 -6.319 1.00 65.34 H new ATOM 0 HB3 LEU A 636 -0.643 -5.182 -6.822 1.00 65.34 H new ATOM 0 HG LEU A 636 -1.085 -4.169 -8.769 1.00 42.43 H new ATOM 0 HD11 LEU A 636 -2.460 -5.495 -10.293 1.00 54.51 H new ATOM 0 HD12 LEU A 636 -1.375 -6.462 -9.266 1.00 54.51 H new ATOM 0 HD13 LEU A 636 -3.114 -6.378 -8.893 1.00 54.51 H new ATOM 0 HD21 LEU A 636 -3.284 -3.365 -9.589 1.00 65.43 H new ATOM 0 HD22 LEU A 636 -4.022 -3.935 -8.073 1.00 65.43 H new ATOM 0 HD23 LEU A 636 -2.800 -2.642 -8.037 1.00 65.43 H new ATOM 2131 N GLY A 637 -4.612 -5.108 -5.564 1.00 1.03 N ATOM 2132 CA GLY A 637 -6.034 -4.928 -5.666 1.00 73.02 C ATOM 2133 C GLY A 637 -6.408 -3.770 -6.536 1.00 43.02 C ATOM 2134 O GLY A 637 -6.247 -3.817 -7.754 1.00 35.22 O ATOM 0 H GLY A 637 -4.155 -4.524 -4.864 1.00 1.03 H new ATOM 0 HA2 GLY A 637 -6.484 -5.837 -6.065 1.00 73.02 H new ATOM 0 HA3 GLY A 637 -6.450 -4.778 -4.670 1.00 73.02 H new ATOM 2138 N GLU A 638 -6.870 -2.732 -5.923 1.00 61.34 N ATOM 2139 CA GLU A 638 -7.329 -1.576 -6.631 1.00 21.30 C ATOM 2140 C GLU A 638 -6.198 -0.595 -6.857 1.00 71.20 C ATOM 2141 O GLU A 638 -5.773 -0.353 -7.986 1.00 61.15 O ATOM 2142 CB GLU A 638 -8.460 -0.924 -5.836 1.00 65.10 C ATOM 2143 CG GLU A 638 -8.987 0.388 -6.405 1.00 22.34 C ATOM 2144 CD GLU A 638 -9.633 0.251 -7.755 1.00 61.41 C ATOM 2145 OE1 GLU A 638 -8.930 0.316 -8.785 1.00 14.35 O ATOM 2146 OE2 GLU A 638 -10.868 0.136 -7.805 1.00 73.11 O ATOM 0 H GLU A 638 -6.942 -2.658 -4.908 1.00 61.34 H new ATOM 0 HA GLU A 638 -7.700 -1.878 -7.611 1.00 21.30 H new ATOM 0 HB2 GLU A 638 -9.288 -1.630 -5.769 1.00 65.10 H new ATOM 0 HB3 GLU A 638 -8.110 -0.745 -4.819 1.00 65.10 H new ATOM 0 HG2 GLU A 638 -9.711 0.810 -5.708 1.00 22.34 H new ATOM 0 HG3 GLU A 638 -8.163 1.098 -6.478 1.00 22.34 H new ATOM 2153 N HIS A 639 -5.707 -0.063 -5.791 1.00 31.20 N ATOM 2154 CA HIS A 639 -4.715 0.953 -5.851 1.00 40.20 C ATOM 2155 C HIS A 639 -3.597 0.689 -4.895 1.00 54.51 C ATOM 2156 O HIS A 639 -3.794 0.585 -3.670 1.00 54.13 O ATOM 2157 CB HIS A 639 -5.321 2.388 -5.686 1.00 5.32 C ATOM 2158 CG HIS A 639 -6.350 2.592 -4.574 1.00 62.52 C ATOM 2159 ND1 HIS A 639 -7.217 3.660 -4.534 1.00 13.44 N ATOM 2160 CD2 HIS A 639 -6.649 1.843 -3.479 1.00 5.35 C ATOM 2161 CE1 HIS A 639 -7.992 3.534 -3.456 1.00 31.01 C ATOM 2162 NE2 HIS A 639 -7.689 2.444 -2.780 1.00 54.12 N ATOM 0 H HIS A 639 -5.986 -0.324 -4.845 1.00 31.20 H new ATOM 0 HA HIS A 639 -4.286 0.922 -6.853 1.00 40.20 H new ATOM 0 HB2 HIS A 639 -4.499 3.084 -5.516 1.00 5.32 H new ATOM 0 HB3 HIS A 639 -5.786 2.668 -6.631 1.00 5.32 H new ATOM 0 HD2 HIS A 639 -6.155 0.925 -3.197 1.00 5.35 H new ATOM 0 HE1 HIS A 639 -8.766 4.233 -3.174 1.00 31.01 H new ATOM 0 HE2 HIS A 639 -8.127 2.110 -1.921 1.00 54.12 H new ATOM 2170 N THR A 640 -2.443 0.492 -5.442 1.00 73.22 N ATOM 2171 CA THR A 640 -1.301 0.335 -4.655 1.00 23.01 C ATOM 2172 C THR A 640 -0.509 1.615 -4.728 1.00 1.11 C ATOM 2173 O THR A 640 0.303 1.827 -5.636 1.00 42.21 O ATOM 2174 CB THR A 640 -0.494 -0.893 -5.109 1.00 51.30 C ATOM 2175 OG1 THR A 640 -0.313 -0.848 -6.531 1.00 25.21 O ATOM 2176 CG2 THR A 640 -1.253 -2.154 -4.752 1.00 22.11 C ATOM 0 H THR A 640 -2.282 0.438 -6.448 1.00 73.22 H new ATOM 0 HA THR A 640 -1.567 0.148 -3.615 1.00 23.01 H new ATOM 0 HB THR A 640 0.476 -0.890 -4.612 1.00 51.30 H new ATOM 0 HG1 THR A 640 -0.024 0.050 -6.796 1.00 25.21 H new ATOM 0 HG21 THR A 640 -0.682 -3.025 -5.073 1.00 22.11 H new ATOM 0 HG22 THR A 640 -1.402 -2.196 -3.673 1.00 22.11 H new ATOM 0 HG23 THR A 640 -2.221 -2.150 -5.252 1.00 22.11 H new ATOM 2184 N LYS A 641 -0.813 2.473 -3.799 1.00 30.44 N ATOM 2185 CA LYS A 641 -0.285 3.793 -3.702 1.00 62.20 C ATOM 2186 C LYS A 641 -0.817 4.391 -2.436 1.00 33.03 C ATOM 2187 O LYS A 641 -1.985 4.218 -2.113 1.00 35.23 O ATOM 2188 CB LYS A 641 -0.778 4.648 -4.888 1.00 11.35 C ATOM 2189 CG LYS A 641 -0.537 6.154 -4.750 1.00 51.35 C ATOM 2190 CD LYS A 641 0.916 6.555 -4.851 1.00 2.31 C ATOM 2191 CE LYS A 641 1.061 8.051 -4.622 1.00 72.21 C ATOM 2192 NZ LYS A 641 0.225 8.871 -5.540 1.00 5.10 N ATOM 0 H LYS A 641 -1.471 2.254 -3.051 1.00 30.44 H new ATOM 0 HA LYS A 641 0.805 3.765 -3.711 1.00 62.20 H new ATOM 0 HB2 LYS A 641 -0.286 4.299 -5.796 1.00 11.35 H new ATOM 0 HB3 LYS A 641 -1.847 4.478 -5.019 1.00 11.35 H new ATOM 0 HG2 LYS A 641 -1.102 6.674 -5.524 1.00 51.35 H new ATOM 0 HG3 LYS A 641 -0.930 6.488 -3.790 1.00 51.35 H new ATOM 0 HD2 LYS A 641 1.505 6.008 -4.115 1.00 2.31 H new ATOM 0 HD3 LYS A 641 1.307 6.290 -5.833 1.00 2.31 H new ATOM 0 HE2 LYS A 641 0.790 8.282 -3.592 1.00 72.21 H new ATOM 0 HE3 LYS A 641 2.107 8.331 -4.747 1.00 72.21 H new ATOM 0 HZ1 LYS A 641 0.480 9.874 -5.439 1.00 5.10 H new ATOM 0 HZ2 LYS A 641 0.389 8.569 -6.522 1.00 5.10 H new ATOM 0 HZ3 LYS A 641 -0.779 8.744 -5.302 1.00 5.10 H new ATOM 2206 N LEU A 642 0.029 5.020 -1.717 1.00 63.10 N ATOM 2207 CA LEU A 642 -0.358 5.756 -0.568 1.00 12.52 C ATOM 2208 C LEU A 642 0.412 7.037 -0.571 1.00 40.12 C ATOM 2209 O LEU A 642 1.632 7.037 -0.419 1.00 22.52 O ATOM 2210 CB LEU A 642 -0.050 4.990 0.690 1.00 32.41 C ATOM 2211 CG LEU A 642 -0.287 5.751 1.981 1.00 31.53 C ATOM 2212 CD1 LEU A 642 -1.769 5.990 2.235 1.00 15.50 C ATOM 2213 CD2 LEU A 642 0.371 5.050 3.128 1.00 63.42 C ATOM 0 H LEU A 642 1.030 5.042 -1.910 1.00 63.10 H new ATOM 0 HA LEU A 642 -1.432 5.941 -0.594 1.00 12.52 H new ATOM 0 HB2 LEU A 642 -0.657 4.085 0.703 1.00 32.41 H new ATOM 0 HB3 LEU A 642 0.993 4.674 0.659 1.00 32.41 H new ATOM 0 HG LEU A 642 0.170 6.735 1.881 1.00 31.53 H new ATOM 0 HD11 LEU A 642 -1.894 6.538 3.169 1.00 15.50 H new ATOM 0 HD12 LEU A 642 -2.190 6.571 1.414 1.00 15.50 H new ATOM 0 HD13 LEU A 642 -2.285 5.033 2.304 1.00 15.50 H new ATOM 0 HD21 LEU A 642 0.192 5.608 4.047 1.00 63.42 H new ATOM 0 HD22 LEU A 642 -0.043 4.046 3.227 1.00 63.42 H new ATOM 0 HD23 LEU A 642 1.444 4.984 2.947 1.00 63.42 H new ATOM 2225 N GLU A 643 -0.261 8.095 -0.803 1.00 50.42 N ATOM 2226 CA GLU A 643 0.346 9.373 -0.818 1.00 54.32 C ATOM 2227 C GLU A 643 0.198 9.962 0.566 1.00 35.51 C ATOM 2228 O GLU A 643 -0.909 10.283 1.007 1.00 61.32 O ATOM 2229 CB GLU A 643 -0.333 10.213 -1.874 1.00 72.25 C ATOM 2230 CG GLU A 643 0.410 11.454 -2.277 1.00 52.03 C ATOM 2231 CD GLU A 643 -0.142 12.012 -3.552 1.00 5.52 C ATOM 2232 OE1 GLU A 643 0.003 11.354 -4.606 1.00 5.11 O ATOM 2233 OE2 GLU A 643 -0.755 13.092 -3.541 1.00 32.31 O ATOM 0 H GLU A 643 -1.263 8.102 -0.991 1.00 50.42 H new ATOM 0 HA GLU A 643 1.407 9.327 -1.065 1.00 54.32 H new ATOM 0 HB2 GLU A 643 -0.489 9.598 -2.760 1.00 72.25 H new ATOM 0 HB3 GLU A 643 -1.319 10.501 -1.508 1.00 72.25 H new ATOM 0 HG2 GLU A 643 0.337 12.200 -1.486 1.00 52.03 H new ATOM 0 HG3 GLU A 643 1.468 11.225 -2.403 1.00 52.03 H new ATOM 2240 N VAL A 644 1.278 10.005 1.281 1.00 31.42 N ATOM 2241 CA VAL A 644 1.267 10.478 2.630 1.00 23.14 C ATOM 2242 C VAL A 644 1.675 11.910 2.654 1.00 2.43 C ATOM 2243 O VAL A 644 2.843 12.214 2.438 1.00 72.31 O ATOM 2244 CB VAL A 644 2.269 9.695 3.488 1.00 33.21 C ATOM 2245 CG1 VAL A 644 2.151 10.075 4.956 1.00 24.43 C ATOM 2246 CG2 VAL A 644 2.114 8.202 3.276 1.00 65.13 C ATOM 0 H VAL A 644 2.195 9.712 0.945 1.00 31.42 H new ATOM 0 HA VAL A 644 0.260 10.348 3.027 1.00 23.14 H new ATOM 0 HB VAL A 644 3.275 9.966 3.167 1.00 33.21 H new ATOM 0 HG11 VAL A 644 2.874 9.504 5.539 1.00 24.43 H new ATOM 0 HG12 VAL A 644 2.351 11.140 5.073 1.00 24.43 H new ATOM 0 HG13 VAL A 644 1.144 9.854 5.309 1.00 24.43 H new ATOM 0 HG21 VAL A 644 2.836 7.670 3.896 1.00 65.13 H new ATOM 0 HG22 VAL A 644 1.104 7.898 3.553 1.00 65.13 H new ATOM 0 HG23 VAL A 644 2.290 7.963 2.227 1.00 65.13 H new ATOM 2256 N ILE A 645 0.746 12.786 2.856 1.00 21.31 N ATOM 2257 CA ILE A 645 1.068 14.169 2.975 1.00 44.10 C ATOM 2258 C ILE A 645 1.292 14.459 4.439 1.00 73.22 C ATOM 2259 O ILE A 645 0.416 14.215 5.279 1.00 11.53 O ATOM 2260 CB ILE A 645 -0.014 15.141 2.379 1.00 43.52 C ATOM 2261 CG1 ILE A 645 -0.191 14.958 0.844 1.00 15.20 C ATOM 2262 CG2 ILE A 645 0.325 16.599 2.700 1.00 75.10 C ATOM 2263 CD1 ILE A 645 -0.959 13.717 0.424 1.00 1.11 C ATOM 0 H ILE A 645 -0.246 12.567 2.942 1.00 21.31 H new ATOM 0 HA ILE A 645 1.963 14.356 2.382 1.00 44.10 H new ATOM 0 HB ILE A 645 -0.961 14.883 2.852 1.00 43.52 H new ATOM 0 HG12 ILE A 645 -0.703 15.834 0.447 1.00 15.20 H new ATOM 0 HG13 ILE A 645 0.796 14.929 0.382 1.00 15.20 H new ATOM 0 HG21 ILE A 645 -0.439 17.252 2.277 1.00 75.10 H new ATOM 0 HG22 ILE A 645 0.360 16.735 3.781 1.00 75.10 H new ATOM 0 HG23 ILE A 645 1.295 16.850 2.271 1.00 75.10 H new ATOM 0 HD11 ILE A 645 -1.027 13.682 -0.663 1.00 1.11 H new ATOM 0 HD12 ILE A 645 -0.440 12.829 0.784 1.00 1.11 H new ATOM 0 HD13 ILE A 645 -1.962 13.748 0.850 1.00 1.11 H new ATOM 2275 N ILE A 646 2.464 14.914 4.748 1.00 4.30 N ATOM 2276 CA ILE A 646 2.834 15.191 6.100 1.00 11.52 C ATOM 2277 C ILE A 646 2.636 16.654 6.286 1.00 70.21 C ATOM 2278 O ILE A 646 3.359 17.482 5.695 1.00 50.24 O ATOM 2279 CB ILE A 646 4.325 14.811 6.432 1.00 54.34 C ATOM 2280 CG1 ILE A 646 4.680 13.394 5.956 1.00 5.53 C ATOM 2281 CG2 ILE A 646 4.591 14.910 7.926 1.00 72.14 C ATOM 2282 CD1 ILE A 646 4.916 13.279 4.473 1.00 51.22 C ATOM 0 H ILE A 646 3.197 15.105 4.065 1.00 4.30 H new ATOM 0 HA ILE A 646 2.223 14.588 6.772 1.00 11.52 H new ATOM 0 HB ILE A 646 4.952 15.524 5.897 1.00 54.34 H new ATOM 0 HG12 ILE A 646 5.575 13.060 6.481 1.00 5.53 H new ATOM 0 HG13 ILE A 646 3.874 12.716 6.237 1.00 5.53 H new ATOM 0 HG21 ILE A 646 5.628 14.643 8.129 1.00 72.14 H new ATOM 0 HG22 ILE A 646 4.407 15.931 8.261 1.00 72.14 H new ATOM 0 HG23 ILE A 646 3.929 14.228 8.459 1.00 72.14 H new ATOM 0 HD11 ILE A 646 5.161 12.247 4.223 1.00 51.22 H new ATOM 0 HD12 ILE A 646 4.015 13.579 3.937 1.00 51.22 H new ATOM 0 HD13 ILE A 646 5.743 13.928 4.185 1.00 51.22 H new ATOM 2294 N GLU A 647 1.657 16.985 7.031 1.00 20.30 N ATOM 2295 CA GLU A 647 1.301 18.329 7.185 1.00 1.41 C ATOM 2296 C GLU A 647 1.978 18.931 8.397 1.00 12.34 C ATOM 2297 O GLU A 647 2.287 18.236 9.363 1.00 22.41 O ATOM 2298 CB GLU A 647 -0.238 18.496 7.128 1.00 50.31 C ATOM 2299 CG GLU A 647 -1.055 17.768 8.196 1.00 75.21 C ATOM 2300 CD GLU A 647 -1.089 18.505 9.514 1.00 15.52 C ATOM 2301 OE1 GLU A 647 -1.474 19.692 9.513 1.00 74.10 O ATOM 2302 OE2 GLU A 647 -0.719 17.931 10.567 1.00 24.23 O ATOM 0 H GLU A 647 1.079 16.325 7.552 1.00 20.30 H new ATOM 0 HA GLU A 647 1.676 18.914 6.345 1.00 1.41 H new ATOM 0 HB2 GLU A 647 -0.466 19.560 7.194 1.00 50.31 H new ATOM 0 HB3 GLU A 647 -0.580 18.157 6.150 1.00 50.31 H new ATOM 0 HG2 GLU A 647 -2.075 17.631 7.836 1.00 75.21 H new ATOM 0 HG3 GLU A 647 -0.636 16.774 8.352 1.00 75.21 H new ATOM 2309 N GLU A 648 2.259 20.198 8.302 1.00 71.11 N ATOM 2310 CA GLU A 648 2.926 20.962 9.323 1.00 74.02 C ATOM 2311 C GLU A 648 1.994 21.222 10.511 1.00 31.11 C ATOM 2312 O GLU A 648 1.497 22.334 10.681 1.00 44.10 O ATOM 2313 CB GLU A 648 3.435 22.283 8.725 1.00 53.41 C ATOM 2314 CG GLU A 648 4.442 22.106 7.582 1.00 3.22 C ATOM 2315 CD GLU A 648 5.722 21.454 8.042 1.00 20.31 C ATOM 2316 OE1 GLU A 648 5.972 21.346 9.195 1.00 34.23 O ATOM 2317 OE2 GLU A 648 6.578 21.034 7.262 1.00 13.55 O ATOM 0 H GLU A 648 2.021 20.752 7.479 1.00 71.11 H new ATOM 0 HA GLU A 648 3.776 20.390 9.694 1.00 74.02 H new ATOM 0 HB2 GLU A 648 2.583 22.856 8.359 1.00 53.41 H new ATOM 0 HB3 GLU A 648 3.899 22.872 9.516 1.00 53.41 H new ATOM 0 HG2 GLU A 648 3.992 21.502 6.795 1.00 3.22 H new ATOM 0 HG3 GLU A 648 4.669 23.079 7.147 1.00 3.22 H new ATOM 2324 N SER A 649 1.709 20.146 11.219 1.00 33.33 N ATOM 2325 CA SER A 649 0.901 20.045 12.430 1.00 14.03 C ATOM 2326 C SER A 649 -0.205 21.112 12.583 1.00 0.44 C ATOM 2327 O SER A 649 -0.072 22.087 13.343 1.00 44.02 O ATOM 2328 CB SER A 649 1.823 19.976 13.631 1.00 51.13 C ATOM 2329 OG SER A 649 2.814 18.967 13.419 1.00 20.14 O ATOM 0 H SER A 649 2.068 19.233 10.939 1.00 33.33 H new ATOM 0 HA SER A 649 0.326 19.123 12.350 1.00 14.03 H new ATOM 0 HB2 SER A 649 2.302 20.942 13.790 1.00 51.13 H new ATOM 0 HB3 SER A 649 1.249 19.753 14.530 1.00 51.13 H new ATOM 0 HG SER A 649 3.023 18.529 14.271 1.00 20.14 H new