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 515 SER OG : rot 180:sc= 1.04 USER MOD Set 1.2: A 649 SER OG : rot -70:sc= 1.25 USER MOD Single : A 506 THR OG1 : rot -82:sc= 0.248 USER MOD Single : A 512 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 513 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.69) USER MOD Single : A 517 SER OG : rot -43:sc= 0.349 USER MOD Single : A 521 MET CE :methyl 179:sc= -3.29! (180deg=-3.3!) USER MOD Single : A 524 LYS NZ :NH3+ 166:sc= -0.0489 (180deg=-0.305) USER MOD Single : A 528 THR OG1 : rot -129:sc= -2.95! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -5.25! K(o=-5.3!,f=-0.056) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0556) USER MOD Single : A 541 THR OG1 : rot 75:sc= 0.57 USER MOD Single : A 545 THR OG1 : rot -45:sc= 0.2 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 CYS SG : rot -99:sc= 1.03 USER MOD Single : A 563 GLN : amide:sc= 0.206 K(o=0.21,f=-0.54) USER MOD Single : A 564 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.11) USER MOD Single : A 569 LYS NZ :NH3+ -146:sc= 2.44 (180deg=1.34) USER MOD Single : A 570 THR OG1 : rot 157:sc= 1.2 USER MOD Single : A 572 SER OG : rot 31:sc= 0.0904 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0223) USER MOD Single : A 584 ASN : amide:sc= -2.32! K(o=-2.3!,f=-1.3) USER MOD Single : A 585 LYS NZ :NH3+ 153:sc= 1.85 (180deg=-0.109) USER MOD Single : A 586 THR OG1 : rot 24:sc= 1.08 USER MOD Single : A 639 HIS : no HD1:sc= -0.173 K(o=-0.17,f=-0.9) USER MOD Single : A 640 THR OG1 : rot 51:sc= -0.216 USER MOD Single : A 641 LYS NZ :NH3+ 162:sc= -0.0739 (180deg=-0.429) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -4.825 -13.347 -3.744 1.00 23.05 N ATOM 29 CA GLY A 503 -4.823 -12.349 -2.741 1.00 5.00 C ATOM 30 C GLY A 503 -4.937 -10.973 -3.289 1.00 20.42 C ATOM 31 O GLY A 503 -4.363 -10.681 -4.319 1.00 64.23 O ATOM 0 HA2 GLY A 503 -5.650 -12.530 -2.055 1.00 5.00 H new ATOM 0 HA3 GLY A 503 -3.904 -12.428 -2.160 1.00 5.00 H new ATOM 35 N ILE A 504 -5.714 -10.156 -2.614 1.00 21.31 N ATOM 36 CA ILE A 504 -5.872 -8.749 -2.932 1.00 20.40 C ATOM 37 C ILE A 504 -5.342 -7.965 -1.754 1.00 4.14 C ATOM 38 O ILE A 504 -5.893 -8.049 -0.660 1.00 2.43 O ATOM 39 CB ILE A 504 -7.377 -8.311 -3.157 1.00 30.44 C ATOM 40 CG1 ILE A 504 -8.043 -9.002 -4.355 1.00 23.34 C ATOM 41 CG2 ILE A 504 -7.511 -6.797 -3.298 1.00 10.14 C ATOM 42 CD1 ILE A 504 -8.455 -10.425 -4.108 1.00 55.14 C ATOM 0 H ILE A 504 -6.267 -10.455 -1.811 1.00 21.31 H new ATOM 0 HA ILE A 504 -5.338 -8.560 -3.863 1.00 20.40 H new ATOM 0 HB ILE A 504 -7.903 -8.636 -2.260 1.00 30.44 H new ATOM 0 HG12 ILE A 504 -8.923 -8.428 -4.645 1.00 23.34 H new ATOM 0 HG13 ILE A 504 -7.355 -8.979 -5.200 1.00 23.34 H new ATOM 0 HG21 ILE A 504 -8.558 -6.537 -3.451 1.00 10.14 H new ATOM 0 HG22 ILE A 504 -7.146 -6.313 -2.392 1.00 10.14 H new ATOM 0 HG23 ILE A 504 -6.925 -6.458 -4.152 1.00 10.14 H new ATOM 0 HD11 ILE A 504 -8.916 -10.832 -5.008 1.00 55.14 H new ATOM 0 HD12 ILE A 504 -7.578 -11.018 -3.850 1.00 55.14 H new ATOM 0 HD13 ILE A 504 -9.171 -10.459 -3.287 1.00 55.14 H new ATOM 54 N PHE A 505 -4.263 -7.275 -1.943 1.00 65.05 N ATOM 55 CA PHE A 505 -3.713 -6.451 -0.893 1.00 62.04 C ATOM 56 C PHE A 505 -3.686 -5.022 -1.369 1.00 51.21 C ATOM 57 O PHE A 505 -3.156 -4.736 -2.438 1.00 53.00 O ATOM 58 CB PHE A 505 -2.320 -6.945 -0.489 1.00 32.43 C ATOM 59 CG PHE A 505 -2.334 -8.355 0.045 1.00 33.42 C ATOM 60 CD1 PHE A 505 -2.602 -8.598 1.378 1.00 10.21 C ATOM 61 CD2 PHE A 505 -2.097 -9.434 -0.791 1.00 11.31 C ATOM 62 CE1 PHE A 505 -2.631 -9.889 1.867 1.00 63.22 C ATOM 63 CE2 PHE A 505 -2.123 -10.725 -0.304 1.00 5.10 C ATOM 64 CZ PHE A 505 -2.390 -10.953 1.025 1.00 25.12 C ATOM 0 H PHE A 505 -3.736 -7.260 -2.816 1.00 65.05 H new ATOM 0 HA PHE A 505 -4.337 -6.514 -0.002 1.00 62.04 H new ATOM 0 HB2 PHE A 505 -1.657 -6.895 -1.353 1.00 32.43 H new ATOM 0 HB3 PHE A 505 -1.908 -6.278 0.269 1.00 32.43 H new ATOM 0 HD1 PHE A 505 -2.791 -7.770 2.045 1.00 10.21 H new ATOM 0 HD2 PHE A 505 -1.889 -9.263 -1.837 1.00 11.31 H new ATOM 0 HE1 PHE A 505 -2.843 -10.065 2.911 1.00 63.22 H new ATOM 0 HE2 PHE A 505 -1.934 -11.556 -0.967 1.00 5.10 H new ATOM 0 HZ PHE A 505 -2.411 -11.963 1.408 1.00 25.12 H new ATOM 74 N THR A 506 -4.278 -4.131 -0.613 1.00 55.21 N ATOM 75 CA THR A 506 -4.405 -2.764 -1.037 1.00 74.14 C ATOM 76 C THR A 506 -4.548 -1.855 0.184 1.00 40.55 C ATOM 77 O THR A 506 -4.706 -2.339 1.316 1.00 5.01 O ATOM 78 CB THR A 506 -5.673 -2.608 -1.969 1.00 5.44 C ATOM 79 OG1 THR A 506 -5.741 -1.297 -2.572 1.00 65.32 O ATOM 80 CG2 THR A 506 -6.969 -2.879 -1.196 1.00 41.30 C ATOM 0 H THR A 506 -4.680 -4.332 0.303 1.00 55.21 H new ATOM 0 HA THR A 506 -3.513 -2.479 -1.595 1.00 74.14 H new ATOM 0 HB THR A 506 -5.567 -3.349 -2.761 1.00 5.44 H new ATOM 0 HG1 THR A 506 -6.142 -0.666 -1.939 1.00 65.32 H new ATOM 0 HG21 THR A 506 -7.822 -2.764 -1.864 1.00 41.30 H new ATOM 0 HG22 THR A 506 -6.952 -3.895 -0.802 1.00 41.30 H new ATOM 0 HG23 THR A 506 -7.056 -2.171 -0.372 1.00 41.30 H new ATOM 88 N PHE A 507 -4.456 -0.567 -0.051 1.00 31.24 N ATOM 89 CA PHE A 507 -4.729 0.429 0.957 1.00 4.25 C ATOM 90 C PHE A 507 -6.131 0.904 0.709 1.00 30.44 C ATOM 91 O PHE A 507 -6.675 0.680 -0.393 1.00 31.34 O ATOM 92 CB PHE A 507 -3.782 1.631 0.833 1.00 42.52 C ATOM 93 CG PHE A 507 -2.325 1.322 0.993 1.00 11.14 C ATOM 94 CD1 PHE A 507 -1.761 1.223 2.248 1.00 1.41 C ATOM 95 CD2 PHE A 507 -1.517 1.150 -0.116 1.00 65.35 C ATOM 96 CE1 PHE A 507 -0.417 0.956 2.398 1.00 71.52 C ATOM 97 CE2 PHE A 507 -0.172 0.885 0.025 1.00 35.43 C ATOM 98 CZ PHE A 507 0.379 0.787 1.283 1.00 62.41 C ATOM 0 H PHE A 507 -4.187 -0.178 -0.955 1.00 31.24 H new ATOM 0 HA PHE A 507 -4.594 -0.001 1.949 1.00 4.25 H new ATOM 0 HB2 PHE A 507 -3.933 2.091 -0.143 1.00 42.52 H new ATOM 0 HB3 PHE A 507 -4.063 2.372 1.582 1.00 42.52 H new ATOM 0 HD1 PHE A 507 -2.380 1.356 3.123 1.00 1.41 H new ATOM 0 HD2 PHE A 507 -1.945 1.224 -1.105 1.00 65.35 H new ATOM 0 HE1 PHE A 507 0.012 0.879 3.386 1.00 71.52 H new ATOM 0 HE2 PHE A 507 0.448 0.754 -0.849 1.00 35.43 H new ATOM 0 HZ PHE A 507 1.432 0.578 1.397 1.00 62.41 H new ATOM 108 N GLU A 508 -6.737 1.512 1.685 1.00 73.32 N ATOM 109 CA GLU A 508 -8.050 2.058 1.496 1.00 62.43 C ATOM 110 C GLU A 508 -7.979 3.536 1.235 1.00 22.55 C ATOM 111 O GLU A 508 -8.849 4.095 0.562 1.00 70.54 O ATOM 112 CB GLU A 508 -9.015 1.719 2.624 1.00 25.05 C ATOM 113 CG GLU A 508 -8.457 1.854 4.015 1.00 53.53 C ATOM 114 CD GLU A 508 -9.533 1.868 5.055 1.00 14.14 C ATOM 115 OE1 GLU A 508 -9.979 0.793 5.499 1.00 75.41 O ATOM 116 OE2 GLU A 508 -9.960 2.968 5.440 1.00 30.52 O ATOM 0 H GLU A 508 -6.346 1.643 2.618 1.00 73.32 H new ATOM 0 HA GLU A 508 -8.466 1.576 0.611 1.00 62.43 H new ATOM 0 HB2 GLU A 508 -9.889 2.364 2.538 1.00 25.05 H new ATOM 0 HB3 GLU A 508 -9.361 0.694 2.488 1.00 25.05 H new ATOM 0 HG2 GLU A 508 -7.773 1.028 4.212 1.00 53.53 H new ATOM 0 HG3 GLU A 508 -7.875 2.773 4.084 1.00 53.53 H new ATOM 123 N GLU A 509 -6.954 4.163 1.754 1.00 74.25 N ATOM 124 CA GLU A 509 -6.703 5.544 1.482 1.00 52.22 C ATOM 125 C GLU A 509 -5.396 5.631 0.694 1.00 43.31 C ATOM 126 O GLU A 509 -4.368 5.139 1.137 1.00 53.51 O ATOM 127 CB GLU A 509 -6.675 6.397 2.784 1.00 44.44 C ATOM 128 CG GLU A 509 -5.540 6.097 3.757 1.00 62.43 C ATOM 129 CD GLU A 509 -5.734 6.755 5.111 1.00 11.32 C ATOM 130 OE1 GLU A 509 -6.415 6.161 5.976 1.00 55.10 O ATOM 131 OE2 GLU A 509 -5.216 7.856 5.351 1.00 12.14 O ATOM 0 H GLU A 509 -6.274 3.726 2.376 1.00 74.25 H new ATOM 0 HA GLU A 509 -7.514 5.964 0.887 1.00 52.22 H new ATOM 0 HB2 GLU A 509 -6.618 7.449 2.504 1.00 44.44 H new ATOM 0 HB3 GLU A 509 -7.621 6.257 3.307 1.00 44.44 H new ATOM 0 HG2 GLU A 509 -5.459 5.018 3.891 1.00 62.43 H new ATOM 0 HG3 GLU A 509 -4.599 6.436 3.325 1.00 62.43 H new ATOM 138 N PRO A 510 -5.437 6.159 -0.527 1.00 10.32 N ATOM 139 CA PRO A 510 -4.240 6.299 -1.346 1.00 65.41 C ATOM 140 C PRO A 510 -3.459 7.564 -1.003 1.00 33.00 C ATOM 141 O PRO A 510 -2.390 7.811 -1.544 1.00 31.03 O ATOM 142 CB PRO A 510 -4.798 6.384 -2.764 1.00 24.13 C ATOM 143 CG PRO A 510 -6.146 7.003 -2.607 1.00 22.32 C ATOM 144 CD PRO A 510 -6.651 6.621 -1.236 1.00 34.31 C ATOM 0 HA PRO A 510 -3.538 5.479 -1.198 1.00 65.41 H new ATOM 0 HB2 PRO A 510 -4.157 6.989 -3.406 1.00 24.13 H new ATOM 0 HB3 PRO A 510 -4.867 5.397 -3.222 1.00 24.13 H new ATOM 0 HG2 PRO A 510 -6.087 8.087 -2.708 1.00 22.32 H new ATOM 0 HG3 PRO A 510 -6.826 6.648 -3.381 1.00 22.32 H new ATOM 0 HD2 PRO A 510 -7.112 7.469 -0.729 1.00 34.31 H new ATOM 0 HD3 PRO A 510 -7.405 5.835 -1.292 1.00 34.31 H new ATOM 152 N VAL A 511 -4.013 8.359 -0.111 1.00 11.01 N ATOM 153 CA VAL A 511 -3.431 9.610 0.326 1.00 31.40 C ATOM 154 C VAL A 511 -3.717 9.769 1.787 1.00 23.35 C ATOM 155 O VAL A 511 -4.839 9.519 2.230 1.00 42.44 O ATOM 156 CB VAL A 511 -4.039 10.846 -0.426 1.00 32.04 C ATOM 157 CG1 VAL A 511 -3.502 12.149 0.128 1.00 63.23 C ATOM 158 CG2 VAL A 511 -3.779 10.778 -1.910 1.00 33.33 C ATOM 0 H VAL A 511 -4.903 8.147 0.341 1.00 11.01 H new ATOM 0 HA VAL A 511 -2.362 9.578 0.114 1.00 31.40 H new ATOM 0 HB VAL A 511 -5.116 10.813 -0.262 1.00 32.04 H new ATOM 0 HG11 VAL A 511 -3.943 12.985 -0.415 1.00 63.23 H new ATOM 0 HG12 VAL A 511 -3.757 12.228 1.185 1.00 63.23 H new ATOM 0 HG13 VAL A 511 -2.418 12.174 0.014 1.00 63.23 H new ATOM 0 HG21 VAL A 511 -4.215 11.651 -2.396 1.00 33.33 H new ATOM 0 HG22 VAL A 511 -2.704 10.761 -2.091 1.00 33.33 H new ATOM 0 HG23 VAL A 511 -4.230 9.873 -2.317 1.00 33.33 H new ATOM 168 N THR A 512 -2.732 10.155 2.520 1.00 24.42 N ATOM 169 CA THR A 512 -2.902 10.409 3.890 1.00 13.14 C ATOM 170 C THR A 512 -2.095 11.668 4.246 1.00 42.51 C ATOM 171 O THR A 512 -1.109 11.997 3.566 1.00 14.33 O ATOM 172 CB THR A 512 -2.476 9.172 4.741 1.00 14.02 C ATOM 173 OG1 THR A 512 -3.032 9.265 6.045 1.00 50.15 O ATOM 174 CG2 THR A 512 -0.963 9.039 4.840 1.00 21.41 C ATOM 0 H THR A 512 -1.783 10.302 2.175 1.00 24.42 H new ATOM 0 HA THR A 512 -3.953 10.586 4.118 1.00 13.14 H new ATOM 0 HB THR A 512 -2.856 8.284 4.236 1.00 14.02 H new ATOM 0 HG1 THR A 512 -3.887 8.787 6.071 1.00 50.15 H new ATOM 0 HG21 THR A 512 -0.713 8.165 5.441 1.00 21.41 H new ATOM 0 HG22 THR A 512 -0.542 8.925 3.841 1.00 21.41 H new ATOM 0 HG23 THR A 512 -0.549 9.932 5.309 1.00 21.41 H new ATOM 182 N HIS A 513 -2.537 12.386 5.243 1.00 71.33 N ATOM 183 CA HIS A 513 -1.859 13.589 5.694 1.00 55.43 C ATOM 184 C HIS A 513 -1.396 13.393 7.099 1.00 25.22 C ATOM 185 O HIS A 513 -2.209 13.199 7.995 1.00 55.21 O ATOM 186 CB HIS A 513 -2.762 14.833 5.606 1.00 10.14 C ATOM 187 CG HIS A 513 -2.931 15.375 4.222 1.00 11.10 C ATOM 188 ND1 HIS A 513 -4.004 15.110 3.403 1.00 0.43 N ATOM 189 CD2 HIS A 513 -2.131 16.201 3.521 1.00 34.22 C ATOM 190 CE1 HIS A 513 -3.822 15.763 2.255 1.00 63.24 C ATOM 191 NE2 HIS A 513 -2.699 16.442 2.274 1.00 22.02 N ATOM 0 H HIS A 513 -3.379 12.159 5.772 1.00 71.33 H new ATOM 0 HA HIS A 513 -1.007 13.763 5.036 1.00 55.43 H new ATOM 0 HB2 HIS A 513 -3.744 14.584 6.008 1.00 10.14 H new ATOM 0 HB3 HIS A 513 -2.346 15.615 6.241 1.00 10.14 H new ATOM 0 HD2 HIS A 513 -1.196 16.612 3.872 1.00 34.22 H new ATOM 0 HE1 HIS A 513 -4.507 15.737 1.421 1.00 63.24 H new ATOM 0 HE2 HIS A 513 -2.321 17.026 1.528 1.00 22.02 H new ATOM 199 N VAL A 514 -0.115 13.424 7.299 1.00 73.40 N ATOM 200 CA VAL A 514 0.423 13.193 8.610 1.00 42.41 C ATOM 201 C VAL A 514 1.033 14.451 9.170 1.00 4.31 C ATOM 202 O VAL A 514 1.485 15.331 8.420 1.00 72.23 O ATOM 203 CB VAL A 514 1.446 12.025 8.655 1.00 51.53 C ATOM 204 CG1 VAL A 514 0.801 10.730 8.189 1.00 34.41 C ATOM 205 CG2 VAL A 514 2.690 12.336 7.836 1.00 51.52 C ATOM 0 H VAL A 514 0.579 13.606 6.575 1.00 73.40 H new ATOM 0 HA VAL A 514 -0.418 12.895 9.236 1.00 42.41 H new ATOM 0 HB VAL A 514 1.761 11.901 9.691 1.00 51.53 H new ATOM 0 HG11 VAL A 514 1.534 9.924 8.228 1.00 34.41 H new ATOM 0 HG12 VAL A 514 -0.040 10.488 8.839 1.00 34.41 H new ATOM 0 HG13 VAL A 514 0.446 10.848 7.165 1.00 34.41 H new ATOM 0 HG21 VAL A 514 3.382 11.496 7.892 1.00 51.52 H new ATOM 0 HG22 VAL A 514 2.408 12.506 6.797 1.00 51.52 H new ATOM 0 HG23 VAL A 514 3.172 13.230 8.232 1.00 51.52 H new ATOM 215 N SER A 515 1.045 14.524 10.471 1.00 63.13 N ATOM 216 CA SER A 515 1.552 15.655 11.176 1.00 2.33 C ATOM 217 C SER A 515 3.069 15.629 11.162 1.00 22.55 C ATOM 218 O SER A 515 3.679 14.576 11.257 1.00 10.24 O ATOM 219 CB SER A 515 1.024 15.616 12.620 1.00 64.20 C ATOM 220 OG SER A 515 1.456 16.732 13.397 1.00 64.31 O ATOM 0 H SER A 515 0.695 13.782 11.078 1.00 63.13 H new ATOM 0 HA SER A 515 1.220 16.576 10.696 1.00 2.33 H new ATOM 0 HB2 SER A 515 -0.066 15.591 12.603 1.00 64.20 H new ATOM 0 HB3 SER A 515 1.357 14.695 13.099 1.00 64.20 H new ATOM 0 HG SER A 515 1.092 16.660 14.304 1.00 64.31 H new ATOM 226 N GLU A 516 3.661 16.782 11.071 1.00 22.35 N ATOM 227 CA GLU A 516 5.102 16.931 11.087 1.00 10.12 C ATOM 228 C GLU A 516 5.688 16.587 12.488 1.00 50.24 C ATOM 229 O GLU A 516 6.907 16.455 12.664 1.00 42.21 O ATOM 230 CB GLU A 516 5.445 18.369 10.711 1.00 23.22 C ATOM 231 CG GLU A 516 6.913 18.628 10.570 1.00 43.22 C ATOM 232 CD GLU A 516 7.243 20.075 10.387 1.00 51.11 C ATOM 233 OE1 GLU A 516 6.932 20.895 11.275 1.00 31.43 O ATOM 234 OE2 GLU A 516 7.831 20.424 9.344 1.00 44.44 O ATOM 0 H GLU A 516 3.157 17.664 10.982 1.00 22.35 H new ATOM 0 HA GLU A 516 5.542 16.239 10.369 1.00 10.12 H new ATOM 0 HB2 GLU A 516 4.951 18.616 9.771 1.00 23.22 H new ATOM 0 HB3 GLU A 516 5.040 19.039 11.469 1.00 23.22 H new ATOM 0 HG2 GLU A 516 7.428 18.254 11.455 1.00 43.22 H new ATOM 0 HG3 GLU A 516 7.294 18.065 9.718 1.00 43.22 H new ATOM 241 N SER A 517 4.819 16.431 13.462 1.00 53.42 N ATOM 242 CA SER A 517 5.244 16.163 14.811 1.00 65.01 C ATOM 243 C SER A 517 4.760 14.775 15.227 1.00 11.15 C ATOM 244 O SER A 517 4.646 14.469 16.419 1.00 25.24 O ATOM 245 CB SER A 517 4.691 17.259 15.751 1.00 13.22 C ATOM 246 OG SER A 517 5.234 17.164 17.068 1.00 63.11 O ATOM 0 H SER A 517 3.808 16.486 13.340 1.00 53.42 H new ATOM 0 HA SER A 517 6.332 16.178 14.875 1.00 65.01 H new ATOM 0 HB2 SER A 517 4.919 18.241 15.336 1.00 13.22 H new ATOM 0 HB3 SER A 517 3.605 17.179 15.801 1.00 13.22 H new ATOM 0 HG SER A 517 5.257 16.224 17.345 1.00 63.11 H new ATOM 252 N ILE A 518 4.484 13.933 14.254 1.00 14.34 N ATOM 253 CA ILE A 518 4.044 12.596 14.549 1.00 2.00 C ATOM 254 C ILE A 518 5.262 11.687 14.644 1.00 30.44 C ATOM 255 O ILE A 518 6.293 11.972 14.032 1.00 14.24 O ATOM 256 CB ILE A 518 3.036 12.075 13.488 1.00 52.41 C ATOM 257 CG1 ILE A 518 2.284 10.876 14.028 1.00 4.53 C ATOM 258 CG2 ILE A 518 3.732 11.699 12.178 1.00 34.22 C ATOM 259 CD1 ILE A 518 1.179 10.451 13.133 1.00 71.53 C ATOM 0 H ILE A 518 4.557 14.153 13.261 1.00 14.34 H new ATOM 0 HA ILE A 518 3.516 12.599 15.503 1.00 2.00 H new ATOM 0 HB ILE A 518 2.336 12.884 13.277 1.00 52.41 H new ATOM 0 HG12 ILE A 518 2.978 10.046 14.163 1.00 4.53 H new ATOM 0 HG13 ILE A 518 1.879 11.117 15.011 1.00 4.53 H new ATOM 0 HG21 ILE A 518 2.992 11.340 11.463 1.00 34.22 H new ATOM 0 HG22 ILE A 518 4.236 12.575 11.769 1.00 34.22 H new ATOM 0 HG23 ILE A 518 4.465 10.914 12.367 1.00 34.22 H new ATOM 0 HD11 ILE A 518 0.672 9.588 13.565 1.00 71.53 H new ATOM 0 HD12 ILE A 518 0.469 11.270 13.018 1.00 71.53 H new ATOM 0 HD13 ILE A 518 1.584 10.182 12.157 1.00 71.53 H new ATOM 271 N GLY A 519 5.170 10.647 15.433 1.00 2.01 N ATOM 272 CA GLY A 519 6.274 9.750 15.566 1.00 61.13 C ATOM 273 C GLY A 519 6.130 8.565 14.664 1.00 43.41 C ATOM 274 O GLY A 519 6.925 8.364 13.741 1.00 62.22 O ATOM 0 H GLY A 519 4.347 10.407 15.986 1.00 2.01 H new ATOM 0 HA2 GLY A 519 7.201 10.275 15.334 1.00 61.13 H new ATOM 0 HA3 GLY A 519 6.349 9.414 16.600 1.00 61.13 H new ATOM 278 N ILE A 520 5.119 7.789 14.910 1.00 65.21 N ATOM 279 CA ILE A 520 4.869 6.610 14.135 1.00 40.43 C ATOM 280 C ILE A 520 3.535 6.721 13.467 1.00 33.41 C ATOM 281 O ILE A 520 2.507 6.873 14.133 1.00 73.45 O ATOM 282 CB ILE A 520 4.922 5.307 15.004 1.00 22.34 C ATOM 283 CG1 ILE A 520 6.347 5.020 15.495 1.00 22.03 C ATOM 284 CG2 ILE A 520 4.357 4.096 14.260 1.00 72.52 C ATOM 285 CD1 ILE A 520 7.351 4.757 14.389 1.00 44.14 C ATOM 0 H ILE A 520 4.442 7.955 15.655 1.00 65.21 H new ATOM 0 HA ILE A 520 5.658 6.534 13.386 1.00 40.43 H new ATOM 0 HB ILE A 520 4.289 5.485 15.873 1.00 22.34 H new ATOM 0 HG12 ILE A 520 6.691 5.868 16.087 1.00 22.03 H new ATOM 0 HG13 ILE A 520 6.322 4.156 16.159 1.00 22.03 H new ATOM 0 HG21 ILE A 520 4.414 3.216 14.901 1.00 72.52 H new ATOM 0 HG22 ILE A 520 3.317 4.285 13.995 1.00 72.52 H new ATOM 0 HG23 ILE A 520 4.937 3.923 13.353 1.00 72.52 H new ATOM 0 HD11 ILE A 520 8.331 4.564 14.826 1.00 44.14 H new ATOM 0 HD12 ILE A 520 7.035 3.890 13.809 1.00 44.14 H new ATOM 0 HD13 ILE A 520 7.410 5.628 13.736 1.00 44.14 H new ATOM 297 N MET A 521 3.545 6.709 12.177 1.00 1.12 N ATOM 298 CA MET A 521 2.318 6.661 11.452 1.00 54.03 C ATOM 299 C MET A 521 2.110 5.237 11.028 1.00 74.02 C ATOM 300 O MET A 521 3.048 4.586 10.539 1.00 2.32 O ATOM 301 CB MET A 521 2.296 7.609 10.231 1.00 73.52 C ATOM 302 CG MET A 521 3.270 7.256 9.120 1.00 54.05 C ATOM 303 SD MET A 521 3.085 8.327 7.698 1.00 64.14 S ATOM 304 CE MET A 521 4.185 7.553 6.541 1.00 53.32 C ATOM 0 H MET A 521 4.387 6.732 11.602 1.00 1.12 H new ATOM 0 HA MET A 521 1.510 7.006 12.096 1.00 54.03 H new ATOM 0 HB2 MET A 521 1.287 7.620 9.818 1.00 73.52 H new ATOM 0 HB3 MET A 521 2.511 8.621 10.573 1.00 73.52 H new ATOM 0 HG2 MET A 521 4.290 7.327 9.497 1.00 54.05 H new ATOM 0 HG3 MET A 521 3.114 6.221 8.817 1.00 54.05 H new ATOM 0 HE1 MET A 521 4.164 8.099 5.598 1.00 53.32 H new ATOM 0 HE2 MET A 521 5.199 7.561 6.942 1.00 53.32 H new ATOM 0 HE3 MET A 521 3.869 6.523 6.372 1.00 53.32 H new ATOM 314 N GLU A 522 0.952 4.730 11.303 1.00 53.21 N ATOM 315 CA GLU A 522 0.579 3.415 10.887 1.00 72.15 C ATOM 316 C GLU A 522 -0.582 3.486 9.962 1.00 30.53 C ATOM 317 O GLU A 522 -1.570 4.172 10.234 1.00 24.32 O ATOM 318 CB GLU A 522 0.280 2.510 12.056 1.00 32.32 C ATOM 319 CG GLU A 522 1.508 1.959 12.725 1.00 63.02 C ATOM 320 CD GLU A 522 1.183 1.145 13.927 1.00 43.21 C ATOM 321 OE1 GLU A 522 0.712 -0.001 13.780 1.00 20.51 O ATOM 322 OE2 GLU A 522 1.408 1.625 15.057 1.00 63.22 O ATOM 0 H GLU A 522 0.230 5.222 11.829 1.00 53.21 H new ATOM 0 HA GLU A 522 1.429 2.979 10.362 1.00 72.15 H new ATOM 0 HB2 GLU A 522 -0.306 3.062 12.791 1.00 32.32 H new ATOM 0 HB3 GLU A 522 -0.339 1.681 11.713 1.00 32.32 H new ATOM 0 HG2 GLU A 522 2.062 1.346 12.014 1.00 63.02 H new ATOM 0 HG3 GLU A 522 2.162 2.782 13.013 1.00 63.02 H new ATOM 329 N VAL A 523 -0.450 2.823 8.862 1.00 34.04 N ATOM 330 CA VAL A 523 -1.472 2.812 7.851 1.00 75.22 C ATOM 331 C VAL A 523 -2.049 1.420 7.746 1.00 21.12 C ATOM 332 O VAL A 523 -1.294 0.443 7.664 1.00 21.34 O ATOM 333 CB VAL A 523 -0.893 3.231 6.488 1.00 12.44 C ATOM 334 CG1 VAL A 523 -1.992 3.373 5.439 1.00 53.40 C ATOM 335 CG2 VAL A 523 -0.106 4.519 6.632 1.00 22.33 C ATOM 0 H VAL A 523 0.373 2.267 8.631 1.00 34.04 H new ATOM 0 HA VAL A 523 -2.251 3.521 8.129 1.00 75.22 H new ATOM 0 HB VAL A 523 -0.218 2.447 6.145 1.00 12.44 H new ATOM 0 HG11 VAL A 523 -1.551 3.670 4.488 1.00 53.40 H new ATOM 0 HG12 VAL A 523 -2.506 2.419 5.319 1.00 53.40 H new ATOM 0 HG13 VAL A 523 -2.706 4.132 5.760 1.00 53.40 H new ATOM 0 HG21 VAL A 523 0.300 4.808 5.662 1.00 22.33 H new ATOM 0 HG22 VAL A 523 -0.763 5.307 7.000 1.00 22.33 H new ATOM 0 HG23 VAL A 523 0.711 4.369 7.337 1.00 22.33 H new ATOM 345 N LYS A 524 -3.356 1.336 7.782 1.00 73.15 N ATOM 346 CA LYS A 524 -4.067 0.078 7.703 1.00 35.13 C ATOM 347 C LYS A 524 -4.088 -0.486 6.297 1.00 72.02 C ATOM 348 O LYS A 524 -4.470 0.186 5.333 1.00 12.42 O ATOM 349 CB LYS A 524 -5.486 0.235 8.232 1.00 54.44 C ATOM 350 CG LYS A 524 -5.561 0.447 9.732 1.00 72.34 C ATOM 351 CD LYS A 524 -5.203 -0.824 10.477 1.00 60.51 C ATOM 352 CE LYS A 524 -5.389 -0.705 11.980 1.00 43.52 C ATOM 353 NZ LYS A 524 -6.773 -0.326 12.357 1.00 55.21 N ATOM 0 H LYS A 524 -3.967 2.149 7.868 1.00 73.15 H new ATOM 0 HA LYS A 524 -3.527 -0.634 8.327 1.00 35.13 H new ATOM 0 HB2 LYS A 524 -5.959 1.080 7.731 1.00 54.44 H new ATOM 0 HB3 LYS A 524 -6.061 -0.653 7.971 1.00 54.44 H new ATOM 0 HG2 LYS A 524 -4.882 1.248 10.024 1.00 72.34 H new ATOM 0 HG3 LYS A 524 -6.566 0.764 10.009 1.00 72.34 H new ATOM 0 HD2 LYS A 524 -5.819 -1.642 10.104 1.00 60.51 H new ATOM 0 HD3 LYS A 524 -4.166 -1.083 10.264 1.00 60.51 H new ATOM 0 HE2 LYS A 524 -5.136 -1.656 12.450 1.00 43.52 H new ATOM 0 HE3 LYS A 524 -4.694 0.038 12.370 1.00 43.52 H new ATOM 0 HZ1 LYS A 524 -6.912 -0.487 13.375 1.00 55.21 H new ATOM 0 HZ2 LYS A 524 -6.929 0.679 12.141 1.00 55.21 H new ATOM 0 HZ3 LYS A 524 -7.450 -0.904 11.819 1.00 55.21 H new ATOM 367 N VAL A 525 -3.666 -1.702 6.199 1.00 10.04 N ATOM 368 CA VAL A 525 -3.654 -2.437 4.949 1.00 2.31 C ATOM 369 C VAL A 525 -4.786 -3.426 5.004 1.00 22.33 C ATOM 370 O VAL A 525 -5.030 -4.015 6.056 1.00 31.31 O ATOM 371 CB VAL A 525 -2.342 -3.231 4.765 1.00 14.20 C ATOM 372 CG1 VAL A 525 -2.190 -3.741 3.336 1.00 11.31 C ATOM 373 CG2 VAL A 525 -1.155 -2.413 5.180 1.00 73.05 C ATOM 0 H VAL A 525 -3.310 -2.235 6.992 1.00 10.04 H new ATOM 0 HA VAL A 525 -3.748 -1.732 4.123 1.00 2.31 H new ATOM 0 HB VAL A 525 -2.392 -4.103 5.417 1.00 14.20 H new ATOM 0 HG11 VAL A 525 -1.256 -4.295 3.245 1.00 11.31 H new ATOM 0 HG12 VAL A 525 -3.026 -4.397 3.093 1.00 11.31 H new ATOM 0 HG13 VAL A 525 -2.180 -2.896 2.647 1.00 11.31 H new ATOM 0 HG21 VAL A 525 -0.245 -2.996 5.040 1.00 73.05 H new ATOM 0 HG22 VAL A 525 -1.105 -1.510 4.572 1.00 73.05 H new ATOM 0 HG23 VAL A 525 -1.252 -2.138 6.230 1.00 73.05 H new ATOM 383 N LEU A 526 -5.472 -3.607 3.915 1.00 23.21 N ATOM 384 CA LEU A 526 -6.591 -4.501 3.893 1.00 31.14 C ATOM 385 C LEU A 526 -6.138 -5.884 3.515 1.00 25.43 C ATOM 386 O LEU A 526 -5.268 -6.052 2.645 1.00 71.25 O ATOM 387 CB LEU A 526 -7.712 -4.017 2.944 1.00 42.33 C ATOM 388 CG LEU A 526 -8.363 -2.649 3.256 1.00 52.32 C ATOM 389 CD1 LEU A 526 -8.851 -2.575 4.686 1.00 23.23 C ATOM 390 CD2 LEU A 526 -7.427 -1.509 2.951 1.00 3.24 C ATOM 0 H LEU A 526 -5.275 -3.145 3.027 1.00 23.21 H new ATOM 0 HA LEU A 526 -7.014 -4.521 4.897 1.00 31.14 H new ATOM 0 HB2 LEU A 526 -7.304 -3.974 1.934 1.00 42.33 H new ATOM 0 HB3 LEU A 526 -8.499 -4.772 2.938 1.00 42.33 H new ATOM 0 HG LEU A 526 -9.231 -2.554 2.603 1.00 52.32 H new ATOM 0 HD11 LEU A 526 -9.302 -1.599 4.867 1.00 23.23 H new ATOM 0 HD12 LEU A 526 -9.593 -3.355 4.858 1.00 23.23 H new ATOM 0 HD13 LEU A 526 -8.010 -2.718 5.365 1.00 23.23 H new ATOM 0 HD21 LEU A 526 -7.918 -0.564 3.182 1.00 3.24 H new ATOM 0 HD22 LEU A 526 -6.525 -1.607 3.555 1.00 3.24 H new ATOM 0 HD23 LEU A 526 -7.160 -1.530 1.894 1.00 3.24 H new ATOM 402 N ARG A 527 -6.696 -6.857 4.183 1.00 25.42 N ATOM 403 CA ARG A 527 -6.385 -8.240 3.946 1.00 40.20 C ATOM 404 C ARG A 527 -7.079 -8.698 2.666 1.00 22.42 C ATOM 405 O ARG A 527 -8.060 -8.093 2.226 1.00 10.42 O ATOM 406 CB ARG A 527 -6.906 -9.095 5.112 1.00 5.41 C ATOM 407 CG ARG A 527 -6.504 -10.565 5.065 1.00 0.44 C ATOM 408 CD ARG A 527 -7.472 -11.419 5.848 1.00 11.45 C ATOM 409 NE ARG A 527 -8.818 -11.386 5.246 1.00 14.20 N ATOM 410 CZ ARG A 527 -9.900 -12.003 5.723 1.00 71.41 C ATOM 411 NH1 ARG A 527 -9.803 -12.819 6.766 1.00 41.24 N ATOM 412 NH2 ARG A 527 -11.077 -11.820 5.133 1.00 43.44 N ATOM 0 H ARG A 527 -7.389 -6.709 4.917 1.00 25.42 H new ATOM 0 HA ARG A 527 -5.305 -8.353 3.855 1.00 40.20 H new ATOM 0 HB2 ARG A 527 -6.546 -8.665 6.047 1.00 5.41 H new ATOM 0 HB3 ARG A 527 -7.994 -9.032 5.131 1.00 5.41 H new ATOM 0 HG2 ARG A 527 -6.471 -10.903 4.029 1.00 0.44 H new ATOM 0 HG3 ARG A 527 -5.499 -10.684 5.471 1.00 0.44 H new ATOM 0 HD2 ARG A 527 -7.110 -12.447 5.881 1.00 11.45 H new ATOM 0 HD3 ARG A 527 -7.522 -11.066 6.878 1.00 11.45 H new ATOM 0 HE ARG A 527 -8.931 -10.844 4.390 1.00 14.20 H new ATOM 0 HH11 ARG A 527 -8.897 -12.977 7.207 1.00 41.24 H new ATOM 0 HH12 ARG A 527 -10.634 -13.288 7.126 1.00 41.24 H new ATOM 0 HH21 ARG A 527 -11.150 -11.210 4.319 1.00 43.44 H new ATOM 0 HH22 ARG A 527 -11.907 -12.290 5.494 1.00 43.44 H new ATOM 426 N THR A 528 -6.563 -9.751 2.093 1.00 52.22 N ATOM 427 CA THR A 528 -7.146 -10.411 0.953 1.00 34.33 C ATOM 428 C THR A 528 -8.552 -10.966 1.291 1.00 33.20 C ATOM 429 O THR A 528 -8.908 -11.132 2.470 1.00 72.22 O ATOM 430 CB THR A 528 -6.207 -11.562 0.477 1.00 60.12 C ATOM 431 OG1 THR A 528 -6.828 -12.351 -0.552 1.00 25.21 O ATOM 432 CG2 THR A 528 -5.779 -12.455 1.638 1.00 42.10 C ATOM 0 H THR A 528 -5.699 -10.188 2.415 1.00 52.22 H new ATOM 0 HA THR A 528 -7.259 -9.683 0.149 1.00 34.33 H new ATOM 0 HB THR A 528 -5.315 -11.093 0.062 1.00 60.12 H new ATOM 0 HG1 THR A 528 -6.768 -13.301 -0.317 1.00 25.21 H new ATOM 0 HG21 THR A 528 -5.126 -13.245 1.268 1.00 42.10 H new ATOM 0 HG22 THR A 528 -5.244 -11.859 2.378 1.00 42.10 H new ATOM 0 HG23 THR A 528 -6.661 -12.900 2.099 1.00 42.10 H new ATOM 440 N SER A 529 -9.335 -11.232 0.267 1.00 62.44 N ATOM 441 CA SER A 529 -10.656 -11.778 0.439 1.00 53.14 C ATOM 442 C SER A 529 -10.533 -13.295 0.712 1.00 4.10 C ATOM 443 O SER A 529 -11.379 -13.905 1.387 1.00 43.43 O ATOM 444 CB SER A 529 -11.498 -11.483 -0.826 1.00 13.44 C ATOM 445 OG SER A 529 -12.863 -11.848 -0.665 1.00 72.31 O ATOM 0 H SER A 529 -9.070 -11.075 -0.705 1.00 62.44 H new ATOM 0 HA SER A 529 -11.162 -11.319 1.288 1.00 53.14 H new ATOM 0 HB2 SER A 529 -11.434 -10.421 -1.062 1.00 13.44 H new ATOM 0 HB3 SER A 529 -11.077 -12.024 -1.674 1.00 13.44 H new ATOM 0 HG SER A 529 -13.356 -11.643 -1.487 1.00 72.31 H new ATOM 451 N GLY A 530 -9.454 -13.879 0.220 1.00 62.42 N ATOM 452 CA GLY A 530 -9.178 -15.279 0.427 1.00 51.25 C ATOM 453 C GLY A 530 -7.855 -15.434 1.125 1.00 13.32 C ATOM 454 O GLY A 530 -6.809 -15.224 0.520 1.00 41.14 O ATOM 0 H GLY A 530 -8.749 -13.391 -0.333 1.00 62.42 H new ATOM 0 HA2 GLY A 530 -9.970 -15.732 1.023 1.00 51.25 H new ATOM 0 HA3 GLY A 530 -9.160 -15.802 -0.529 1.00 51.25 H new ATOM 458 N ALA A 531 -7.890 -15.741 2.397 1.00 63.40 N ATOM 459 CA ALA A 531 -6.679 -15.840 3.181 1.00 30.40 C ATOM 460 C ALA A 531 -6.257 -17.286 3.375 1.00 31.44 C ATOM 461 O ALA A 531 -6.812 -18.000 4.215 1.00 2.42 O ATOM 462 CB ALA A 531 -6.849 -15.132 4.521 1.00 32.53 C ATOM 0 H ALA A 531 -8.748 -15.928 2.917 1.00 63.40 H new ATOM 0 HA ALA A 531 -5.882 -15.342 2.629 1.00 30.40 H new ATOM 0 HB1 ALA A 531 -5.928 -15.217 5.097 1.00 32.53 H new ATOM 0 HB2 ALA A 531 -7.074 -14.079 4.350 1.00 32.53 H new ATOM 0 HB3 ALA A 531 -7.667 -15.593 5.075 1.00 32.53 H new ATOM 468 N ARG A 532 -5.318 -17.726 2.559 1.00 4.11 N ATOM 469 CA ARG A 532 -4.778 -19.065 2.624 1.00 14.52 C ATOM 470 C ARG A 532 -3.265 -19.016 2.620 1.00 15.21 C ATOM 471 O ARG A 532 -2.662 -18.484 1.688 1.00 23.14 O ATOM 472 CB ARG A 532 -5.264 -19.911 1.435 1.00 24.02 C ATOM 473 CG ARG A 532 -6.760 -20.163 1.412 1.00 21.01 C ATOM 474 CD ARG A 532 -7.187 -20.860 2.677 1.00 0.22 C ATOM 475 NE ARG A 532 -8.609 -21.187 2.696 1.00 71.45 N ATOM 476 CZ ARG A 532 -9.252 -21.653 3.768 1.00 42.14 C ATOM 477 NH1 ARG A 532 -8.574 -21.921 4.879 1.00 22.54 N ATOM 478 NH2 ARG A 532 -10.564 -21.861 3.727 1.00 11.43 N ATOM 0 H ARG A 532 -4.905 -17.153 1.823 1.00 4.11 H new ATOM 0 HA ARG A 532 -5.127 -19.525 3.548 1.00 14.52 H new ATOM 0 HB2 ARG A 532 -4.978 -19.412 0.509 1.00 24.02 H new ATOM 0 HB3 ARG A 532 -4.747 -20.870 1.453 1.00 24.02 H new ATOM 0 HG2 ARG A 532 -7.294 -19.218 1.310 1.00 21.01 H new ATOM 0 HG3 ARG A 532 -7.021 -20.772 0.546 1.00 21.01 H new ATOM 0 HD2 ARG A 532 -6.608 -21.776 2.794 1.00 0.22 H new ATOM 0 HD3 ARG A 532 -6.955 -20.225 3.532 1.00 0.22 H new ATOM 0 HE ARG A 532 -9.144 -21.051 1.838 1.00 71.45 H new ATOM 0 HH11 ARG A 532 -7.566 -21.770 4.910 1.00 22.54 H new ATOM 0 HH12 ARG A 532 -9.062 -22.277 5.701 1.00 22.54 H new ATOM 0 HH21 ARG A 532 -11.085 -21.664 2.873 1.00 11.43 H new ATOM 0 HH22 ARG A 532 -11.050 -22.217 4.550 1.00 11.43 H new ATOM 492 N GLY A 533 -2.662 -19.532 3.668 1.00 74.52 N ATOM 493 CA GLY A 533 -1.227 -19.599 3.730 1.00 74.21 C ATOM 494 C GLY A 533 -0.618 -18.341 4.277 1.00 54.13 C ATOM 495 O GLY A 533 -1.327 -17.425 4.684 1.00 13.34 O ATOM 0 H GLY A 533 -3.145 -19.909 4.484 1.00 74.52 H new ATOM 0 HA2 GLY A 533 -0.932 -20.443 4.354 1.00 74.21 H new ATOM 0 HA3 GLY A 533 -0.831 -19.787 2.732 1.00 74.21 H new ATOM 499 N ASN A 534 0.682 -18.312 4.322 1.00 64.34 N ATOM 500 CA ASN A 534 1.427 -17.164 4.798 1.00 65.31 C ATOM 501 C ASN A 534 1.897 -16.377 3.597 1.00 43.44 C ATOM 502 O ASN A 534 2.440 -16.954 2.671 1.00 51.24 O ATOM 503 CB ASN A 534 2.624 -17.644 5.628 1.00 2.12 C ATOM 504 CG ASN A 534 3.477 -16.539 6.227 1.00 61.43 C ATOM 505 OD1 ASN A 534 4.675 -16.704 6.399 1.00 12.44 O ATOM 506 ND2 ASN A 534 2.892 -15.440 6.569 1.00 5.23 N ATOM 0 H ASN A 534 1.270 -19.091 4.027 1.00 64.34 H new ATOM 0 HA ASN A 534 0.802 -16.531 5.428 1.00 65.31 H new ATOM 0 HB2 ASN A 534 2.256 -18.276 6.436 1.00 2.12 H new ATOM 0 HB3 ASN A 534 3.257 -18.269 4.997 1.00 2.12 H new ATOM 0 HD21 ASN A 534 3.432 -14.686 6.993 1.00 5.23 H new ATOM 0 HD22 ASN A 534 1.890 -15.326 6.415 1.00 5.23 H new ATOM 513 N VAL A 535 1.674 -15.090 3.594 1.00 11.13 N ATOM 514 CA VAL A 535 2.017 -14.251 2.470 1.00 45.30 C ATOM 515 C VAL A 535 2.859 -13.073 2.935 1.00 32.45 C ATOM 516 O VAL A 535 2.525 -12.406 3.915 1.00 14.00 O ATOM 517 CB VAL A 535 0.739 -13.724 1.744 1.00 22.35 C ATOM 518 CG1 VAL A 535 1.098 -12.855 0.547 1.00 73.15 C ATOM 519 CG2 VAL A 535 -0.122 -14.881 1.294 1.00 4.44 C ATOM 0 H VAL A 535 1.247 -14.589 4.373 1.00 11.13 H new ATOM 0 HA VAL A 535 2.589 -14.855 1.765 1.00 45.30 H new ATOM 0 HB VAL A 535 0.183 -13.113 2.455 1.00 22.35 H new ATOM 0 HG11 VAL A 535 0.185 -12.505 0.065 1.00 73.15 H new ATOM 0 HG12 VAL A 535 1.683 -11.998 0.882 1.00 73.15 H new ATOM 0 HG13 VAL A 535 1.683 -13.439 -0.164 1.00 73.15 H new ATOM 0 HG21 VAL A 535 -1.010 -14.499 0.789 1.00 4.44 H new ATOM 0 HG22 VAL A 535 0.444 -15.510 0.607 1.00 4.44 H new ATOM 0 HG23 VAL A 535 -0.422 -15.470 2.161 1.00 4.44 H new ATOM 529 N ILE A 536 3.940 -12.841 2.258 1.00 13.41 N ATOM 530 CA ILE A 536 4.789 -11.723 2.561 1.00 60.31 C ATOM 531 C ILE A 536 4.477 -10.588 1.612 1.00 34.15 C ATOM 532 O ILE A 536 4.391 -10.796 0.402 1.00 72.14 O ATOM 533 CB ILE A 536 6.295 -12.093 2.479 1.00 21.12 C ATOM 534 CG1 ILE A 536 6.673 -13.081 3.586 1.00 55.01 C ATOM 535 CG2 ILE A 536 7.158 -10.855 2.567 1.00 4.02 C ATOM 536 CD1 ILE A 536 6.481 -12.542 4.991 1.00 23.41 C ATOM 0 H ILE A 536 4.262 -13.418 1.481 1.00 13.41 H new ATOM 0 HA ILE A 536 4.591 -11.416 3.588 1.00 60.31 H new ATOM 0 HB ILE A 536 6.471 -12.569 1.515 1.00 21.12 H new ATOM 0 HG12 ILE A 536 6.075 -13.985 3.471 1.00 55.01 H new ATOM 0 HG13 ILE A 536 7.716 -13.370 3.459 1.00 55.01 H new ATOM 0 HG21 ILE A 536 8.209 -11.139 2.507 1.00 4.02 H new ATOM 0 HG22 ILE A 536 6.916 -10.184 1.743 1.00 4.02 H new ATOM 0 HG23 ILE A 536 6.972 -10.349 3.514 1.00 4.02 H new ATOM 0 HD11 ILE A 536 6.771 -13.303 5.715 1.00 23.41 H new ATOM 0 HD12 ILE A 536 7.100 -11.655 5.128 1.00 23.41 H new ATOM 0 HD13 ILE A 536 5.434 -12.280 5.140 1.00 23.41 H new ATOM 548 N VAL A 537 4.263 -9.415 2.163 1.00 64.12 N ATOM 549 CA VAL A 537 3.976 -8.241 1.381 1.00 1.12 C ATOM 550 C VAL A 537 5.078 -7.192 1.621 1.00 53.31 C ATOM 551 O VAL A 537 5.110 -6.550 2.671 1.00 1.12 O ATOM 552 CB VAL A 537 2.594 -7.625 1.743 1.00 72.35 C ATOM 553 CG1 VAL A 537 2.219 -6.510 0.780 1.00 11.24 C ATOM 554 CG2 VAL A 537 1.506 -8.690 1.798 1.00 71.14 C ATOM 0 H VAL A 537 4.284 -9.251 3.170 1.00 64.12 H new ATOM 0 HA VAL A 537 3.946 -8.535 0.332 1.00 1.12 H new ATOM 0 HB VAL A 537 2.681 -7.191 2.739 1.00 72.35 H new ATOM 0 HG11 VAL A 537 1.249 -6.099 1.059 1.00 11.24 H new ATOM 0 HG12 VAL A 537 2.972 -5.723 0.824 1.00 11.24 H new ATOM 0 HG13 VAL A 537 2.167 -6.907 -0.234 1.00 11.24 H new ATOM 0 HG21 VAL A 537 0.554 -8.225 2.053 1.00 71.14 H new ATOM 0 HG22 VAL A 537 1.423 -9.176 0.826 1.00 71.14 H new ATOM 0 HG23 VAL A 537 1.761 -9.432 2.554 1.00 71.14 H new ATOM 564 N PRO A 538 6.023 -7.056 0.692 1.00 5.15 N ATOM 565 CA PRO A 538 7.115 -6.090 0.804 1.00 50.13 C ATOM 566 C PRO A 538 6.637 -4.656 0.599 1.00 3.35 C ATOM 567 O PRO A 538 5.659 -4.413 -0.108 1.00 11.34 O ATOM 568 CB PRO A 538 8.065 -6.493 -0.324 1.00 72.33 C ATOM 569 CG PRO A 538 7.193 -7.149 -1.325 1.00 3.03 C ATOM 570 CD PRO A 538 6.112 -7.836 -0.550 1.00 31.33 C ATOM 0 HA PRO A 538 7.572 -6.107 1.793 1.00 50.13 H new ATOM 0 HB2 PRO A 538 8.571 -5.625 -0.746 1.00 72.33 H new ATOM 0 HB3 PRO A 538 8.840 -7.171 0.033 1.00 72.33 H new ATOM 0 HG2 PRO A 538 6.773 -6.417 -2.015 1.00 3.03 H new ATOM 0 HG3 PRO A 538 7.757 -7.864 -1.924 1.00 3.03 H new ATOM 0 HD2 PRO A 538 5.167 -7.833 -1.093 1.00 31.33 H new ATOM 0 HD3 PRO A 538 6.362 -8.878 -0.351 1.00 31.33 H new ATOM 578 N TYR A 539 7.313 -3.723 1.216 1.00 51.31 N ATOM 579 CA TYR A 539 6.978 -2.326 1.093 1.00 13.31 C ATOM 580 C TYR A 539 8.229 -1.498 1.229 1.00 50.10 C ATOM 581 O TYR A 539 9.257 -1.995 1.729 1.00 50.43 O ATOM 582 CB TYR A 539 5.948 -1.902 2.162 1.00 31.14 C ATOM 583 CG TYR A 539 6.430 -2.014 3.595 1.00 63.12 C ATOM 584 CD1 TYR A 539 6.379 -3.220 4.265 1.00 22.34 C ATOM 585 CD2 TYR A 539 6.935 -0.910 4.273 1.00 1.13 C ATOM 586 CE1 TYR A 539 6.814 -3.331 5.564 1.00 72.11 C ATOM 587 CE2 TYR A 539 7.375 -1.016 5.574 1.00 42.34 C ATOM 588 CZ TYR A 539 7.310 -2.231 6.214 1.00 40.44 C ATOM 589 OH TYR A 539 7.757 -2.352 7.505 1.00 13.25 O ATOM 0 H TYR A 539 8.114 -3.909 1.820 1.00 51.31 H new ATOM 0 HA TYR A 539 6.531 -2.163 0.112 1.00 13.31 H new ATOM 0 HB2 TYR A 539 5.654 -0.870 1.973 1.00 31.14 H new ATOM 0 HB3 TYR A 539 5.054 -2.514 2.046 1.00 31.14 H new ATOM 0 HD1 TYR A 539 5.990 -4.092 3.759 1.00 22.34 H new ATOM 0 HD2 TYR A 539 6.983 0.045 3.772 1.00 1.13 H new ATOM 0 HE1 TYR A 539 6.765 -4.283 6.072 1.00 72.11 H new ATOM 0 HE2 TYR A 539 7.768 -0.151 6.087 1.00 42.34 H new ATOM 0 HH TYR A 539 8.078 -1.482 7.823 1.00 13.25 H new ATOM 599 N LYS A 540 8.154 -0.271 0.795 1.00 3.31 N ATOM 600 CA LYS A 540 9.247 0.656 0.906 1.00 44.31 C ATOM 601 C LYS A 540 8.728 2.073 0.846 1.00 33.24 C ATOM 602 O LYS A 540 7.617 2.317 0.334 1.00 52.12 O ATOM 603 CB LYS A 540 10.279 0.448 -0.204 1.00 32.20 C ATOM 604 CG LYS A 540 9.748 0.695 -1.590 1.00 62.13 C ATOM 605 CD LYS A 540 10.870 0.767 -2.587 1.00 51.42 C ATOM 606 CE LYS A 540 10.341 1.120 -3.946 1.00 54.13 C ATOM 607 NZ LYS A 540 9.545 0.031 -4.543 1.00 20.41 N ATOM 0 H LYS A 540 7.323 0.119 0.349 1.00 3.31 H new ATOM 0 HA LYS A 540 9.735 0.477 1.864 1.00 44.31 H new ATOM 0 HB2 LYS A 540 11.126 1.111 -0.027 1.00 32.20 H new ATOM 0 HB3 LYS A 540 10.657 -0.573 -0.148 1.00 32.20 H new ATOM 0 HG2 LYS A 540 9.059 -0.103 -1.868 1.00 62.13 H new ATOM 0 HG3 LYS A 540 9.181 1.626 -1.606 1.00 62.13 H new ATOM 0 HD2 LYS A 540 11.600 1.512 -2.269 1.00 51.42 H new ATOM 0 HD3 LYS A 540 11.389 -0.190 -2.629 1.00 51.42 H new ATOM 0 HE2 LYS A 540 9.726 2.016 -3.871 1.00 54.13 H new ATOM 0 HE3 LYS A 540 11.175 1.360 -4.606 1.00 54.13 H new ATOM 0 HZ1 LYS A 540 9.317 0.268 -5.530 1.00 20.41 H new ATOM 0 HZ2 LYS A 540 10.092 -0.853 -4.517 1.00 20.41 H new ATOM 0 HZ3 LYS A 540 8.664 -0.091 -4.004 1.00 20.41 H new ATOM 621 N THR A 541 9.483 2.979 1.395 1.00 5.04 N ATOM 622 CA THR A 541 9.199 4.370 1.303 1.00 1.40 C ATOM 623 C THR A 541 9.898 4.960 0.082 1.00 33.15 C ATOM 624 O THR A 541 11.119 4.815 -0.083 1.00 31.04 O ATOM 625 CB THR A 541 9.669 5.103 2.577 1.00 12.04 C ATOM 626 OG1 THR A 541 10.938 4.574 3.001 1.00 3.22 O ATOM 627 CG2 THR A 541 8.672 4.957 3.707 1.00 44.45 C ATOM 0 H THR A 541 10.326 2.762 1.927 1.00 5.04 H new ATOM 0 HA THR A 541 8.121 4.500 1.202 1.00 1.40 H new ATOM 0 HB THR A 541 9.760 6.162 2.334 1.00 12.04 H new ATOM 0 HG1 THR A 541 11.646 4.911 2.413 1.00 3.22 H new ATOM 0 HG21 THR A 541 9.039 5.487 4.586 1.00 44.45 H new ATOM 0 HG22 THR A 541 7.714 5.378 3.403 1.00 44.45 H new ATOM 0 HG23 THR A 541 8.545 3.901 3.946 1.00 44.45 H new ATOM 635 N ILE A 542 9.135 5.544 -0.794 1.00 4.24 N ATOM 636 CA ILE A 542 9.678 6.241 -1.931 1.00 40.23 C ATOM 637 C ILE A 542 9.819 7.676 -1.506 1.00 22.43 C ATOM 638 O ILE A 542 8.820 8.297 -1.142 1.00 63.34 O ATOM 639 CB ILE A 542 8.768 6.174 -3.216 1.00 21.11 C ATOM 640 CG1 ILE A 542 8.529 4.735 -3.724 1.00 73.41 C ATOM 641 CG2 ILE A 542 9.338 7.026 -4.339 1.00 21.04 C ATOM 642 CD1 ILE A 542 7.536 3.932 -2.918 1.00 23.31 C ATOM 0 H ILE A 542 8.116 5.553 -0.744 1.00 4.24 H new ATOM 0 HA ILE A 542 10.621 5.772 -2.213 1.00 40.23 H new ATOM 0 HB ILE A 542 7.801 6.573 -2.910 1.00 21.11 H new ATOM 0 HG12 ILE A 542 8.183 4.783 -4.756 1.00 73.41 H new ATOM 0 HG13 ILE A 542 9.482 4.205 -3.732 1.00 73.41 H new ATOM 0 HG21 ILE A 542 8.688 6.959 -5.212 1.00 21.04 H new ATOM 0 HG22 ILE A 542 9.401 8.064 -4.012 1.00 21.04 H new ATOM 0 HG23 ILE A 542 10.333 6.666 -4.599 1.00 21.04 H new ATOM 0 HD11 ILE A 542 7.436 2.937 -3.351 1.00 23.31 H new ATOM 0 HD12 ILE A 542 7.887 3.846 -1.890 1.00 23.31 H new ATOM 0 HD13 ILE A 542 6.568 4.433 -2.930 1.00 23.31 H new ATOM 654 N GLU A 543 11.048 8.173 -1.512 1.00 40.22 N ATOM 655 CA GLU A 543 11.387 9.530 -1.058 1.00 23.33 C ATOM 656 C GLU A 543 10.493 10.573 -1.697 1.00 4.14 C ATOM 657 O GLU A 543 9.989 11.475 -1.022 1.00 63.41 O ATOM 658 CB GLU A 543 12.854 9.894 -1.373 1.00 31.12 C ATOM 659 CG GLU A 543 13.898 8.862 -0.963 1.00 70.34 C ATOM 660 CD GLU A 543 14.077 7.754 -1.980 1.00 74.12 C ATOM 661 OE1 GLU A 543 13.315 6.756 -1.962 1.00 73.11 O ATOM 662 OE2 GLU A 543 14.992 7.855 -2.816 1.00 63.52 O ATOM 0 H GLU A 543 11.856 7.642 -1.836 1.00 40.22 H new ATOM 0 HA GLU A 543 11.237 9.528 0.022 1.00 23.33 H new ATOM 0 HB2 GLU A 543 12.943 10.066 -2.446 1.00 31.12 H new ATOM 0 HB3 GLU A 543 13.089 10.836 -0.878 1.00 31.12 H new ATOM 0 HG2 GLU A 543 14.854 9.363 -0.810 1.00 70.34 H new ATOM 0 HG3 GLU A 543 13.611 8.425 -0.007 1.00 70.34 H new ATOM 669 N GLY A 544 10.314 10.449 -2.995 1.00 4.51 N ATOM 670 CA GLY A 544 9.499 11.365 -3.724 1.00 11.12 C ATOM 671 C GLY A 544 10.127 12.721 -3.752 1.00 73.22 C ATOM 672 O GLY A 544 11.156 12.932 -4.412 1.00 31.23 O ATOM 0 H GLY A 544 10.732 9.711 -3.561 1.00 4.51 H new ATOM 0 HA2 GLY A 544 9.357 11.003 -4.742 1.00 11.12 H new ATOM 0 HA3 GLY A 544 8.511 11.425 -3.267 1.00 11.12 H new ATOM 676 N THR A 545 9.579 13.613 -3.001 1.00 64.53 N ATOM 677 CA THR A 545 10.071 14.948 -2.972 1.00 62.12 C ATOM 678 C THR A 545 10.551 15.302 -1.549 1.00 42.03 C ATOM 679 O THR A 545 10.929 16.444 -1.257 1.00 1.10 O ATOM 680 CB THR A 545 8.974 15.937 -3.473 1.00 62.54 C ATOM 681 OG1 THR A 545 9.528 17.231 -3.710 1.00 30.32 O ATOM 682 CG2 THR A 545 7.828 16.048 -2.469 1.00 53.32 C ATOM 0 H THR A 545 8.780 13.439 -2.391 1.00 64.53 H new ATOM 0 HA THR A 545 10.925 15.034 -3.644 1.00 62.12 H new ATOM 0 HB THR A 545 8.581 15.540 -4.409 1.00 62.54 H new ATOM 0 HG1 THR A 545 10.115 17.477 -2.965 1.00 30.32 H new ATOM 0 HG21 THR A 545 7.080 16.745 -2.847 1.00 53.32 H new ATOM 0 HG22 THR A 545 7.373 15.068 -2.327 1.00 53.32 H new ATOM 0 HG23 THR A 545 8.213 16.411 -1.516 1.00 53.32 H new ATOM 690 N ALA A 546 10.559 14.318 -0.673 1.00 54.24 N ATOM 691 CA ALA A 546 10.979 14.546 0.687 1.00 33.31 C ATOM 692 C ALA A 546 12.483 14.414 0.806 1.00 45.51 C ATOM 693 O ALA A 546 13.159 13.999 -0.149 1.00 40.21 O ATOM 694 CB ALA A 546 10.286 13.575 1.626 1.00 52.32 C ATOM 0 H ALA A 546 10.280 13.359 -0.881 1.00 54.24 H new ATOM 0 HA ALA A 546 10.698 15.561 0.969 1.00 33.31 H new ATOM 0 HB1 ALA A 546 10.614 13.761 2.649 1.00 52.32 H new ATOM 0 HB2 ALA A 546 9.207 13.713 1.561 1.00 52.32 H new ATOM 0 HB3 ALA A 546 10.539 12.553 1.344 1.00 52.32 H new ATOM 700 N ARG A 547 13.010 14.795 1.960 1.00 21.55 N ATOM 701 CA ARG A 547 14.424 14.641 2.231 1.00 25.54 C ATOM 702 C ARG A 547 14.786 13.192 2.390 1.00 34.01 C ATOM 703 O ARG A 547 13.925 12.326 2.441 1.00 64.34 O ATOM 704 CB ARG A 547 14.879 15.399 3.466 1.00 73.32 C ATOM 705 CG ARG A 547 15.026 16.884 3.316 1.00 2.30 C ATOM 706 CD ARG A 547 16.068 17.226 2.280 1.00 62.45 C ATOM 707 NE ARG A 547 16.387 18.648 2.249 1.00 73.13 N ATOM 708 CZ ARG A 547 16.918 19.274 1.197 1.00 22.33 C ATOM 709 NH1 ARG A 547 17.146 18.601 0.064 1.00 22.55 N ATOM 710 NH2 ARG A 547 17.225 20.566 1.278 1.00 13.45 N ATOM 0 H ARG A 547 12.476 15.213 2.722 1.00 21.55 H new ATOM 0 HA ARG A 547 14.938 15.065 1.368 1.00 25.54 H new ATOM 0 HB2 ARG A 547 14.167 15.205 4.268 1.00 73.32 H new ATOM 0 HB3 ARG A 547 15.838 14.990 3.785 1.00 73.32 H new ATOM 0 HG2 ARG A 547 14.069 17.320 3.031 1.00 2.30 H new ATOM 0 HG3 ARG A 547 15.304 17.323 4.274 1.00 2.30 H new ATOM 0 HD2 ARG A 547 16.976 16.659 2.484 1.00 62.45 H new ATOM 0 HD3 ARG A 547 15.712 16.916 1.297 1.00 62.45 H new ATOM 0 HE ARG A 547 16.192 19.200 3.085 1.00 73.13 H new ATOM 0 HH11 ARG A 547 16.914 17.610 0.004 1.00 22.55 H new ATOM 0 HH12 ARG A 547 17.552 19.079 -0.740 1.00 22.55 H new ATOM 0 HH21 ARG A 547 17.054 21.077 2.144 1.00 13.45 H new ATOM 0 HH22 ARG A 547 17.631 21.045 0.474 1.00 13.45 H new ATOM 724 N GLY A 548 16.053 12.956 2.515 1.00 23.42 N ATOM 725 CA GLY A 548 16.567 11.606 2.596 1.00 55.44 C ATOM 726 C GLY A 548 16.193 10.873 3.876 1.00 2.31 C ATOM 727 O GLY A 548 15.614 11.465 4.820 1.00 64.51 O ATOM 0 H GLY A 548 16.766 13.683 2.565 1.00 23.42 H new ATOM 0 HA2 GLY A 548 16.198 11.037 1.743 1.00 55.44 H new ATOM 0 HA3 GLY A 548 17.653 11.637 2.512 1.00 55.44 H new ATOM 731 N GLY A 549 16.525 9.595 3.908 1.00 24.22 N ATOM 732 CA GLY A 549 16.249 8.757 5.040 1.00 4.42 C ATOM 733 C GLY A 549 16.968 9.231 6.275 1.00 62.33 C ATOM 734 O GLY A 549 18.182 9.421 6.263 1.00 11.42 O ATOM 0 H GLY A 549 16.996 9.115 3.141 1.00 24.22 H new ATOM 0 HA2 GLY A 549 15.175 8.742 5.228 1.00 4.42 H new ATOM 0 HA3 GLY A 549 16.548 7.733 4.816 1.00 4.42 H new ATOM 738 N GLY A 550 16.209 9.485 7.303 1.00 72.43 N ATOM 739 CA GLY A 550 16.735 9.940 8.560 1.00 53.10 C ATOM 740 C GLY A 550 16.672 11.447 8.676 1.00 45.42 C ATOM 741 O GLY A 550 16.740 11.997 9.771 1.00 61.40 O ATOM 0 H GLY A 550 15.194 9.381 7.292 1.00 72.43 H new ATOM 0 HA2 GLY A 550 16.172 9.488 9.376 1.00 53.10 H new ATOM 0 HA3 GLY A 550 17.768 9.609 8.664 1.00 53.10 H new ATOM 745 N GLU A 551 16.515 12.107 7.553 1.00 73.22 N ATOM 746 CA GLU A 551 16.467 13.541 7.526 1.00 35.55 C ATOM 747 C GLU A 551 15.039 14.000 7.822 1.00 52.32 C ATOM 748 O GLU A 551 14.769 14.554 8.874 1.00 22.11 O ATOM 749 CB GLU A 551 16.951 14.048 6.164 1.00 52.42 C ATOM 750 CG GLU A 551 17.161 15.547 6.075 1.00 0.13 C ATOM 751 CD GLU A 551 18.163 16.046 7.073 1.00 34.34 C ATOM 752 OE1 GLU A 551 19.347 15.665 6.988 1.00 53.51 O ATOM 753 OE2 GLU A 551 17.798 16.845 7.935 1.00 21.33 O ATOM 0 H GLU A 551 16.418 11.664 6.639 1.00 73.22 H new ATOM 0 HA GLU A 551 17.126 13.956 8.289 1.00 35.55 H new ATOM 0 HB2 GLU A 551 17.889 13.550 5.921 1.00 52.42 H new ATOM 0 HB3 GLU A 551 16.227 13.752 5.405 1.00 52.42 H new ATOM 0 HG2 GLU A 551 17.494 15.805 5.070 1.00 0.13 H new ATOM 0 HG3 GLU A 551 16.210 16.054 6.235 1.00 0.13 H new ATOM 760 N ASP A 552 14.123 13.704 6.920 1.00 4.33 N ATOM 761 CA ASP A 552 12.719 14.087 7.124 1.00 72.22 C ATOM 762 C ASP A 552 11.855 12.892 7.447 1.00 54.23 C ATOM 763 O ASP A 552 10.781 13.030 8.019 1.00 51.22 O ATOM 764 CB ASP A 552 12.136 14.844 5.927 1.00 51.40 C ATOM 765 CG ASP A 552 12.222 16.371 6.034 1.00 3.23 C ATOM 766 OD1 ASP A 552 13.242 16.948 6.552 1.00 23.15 O ATOM 767 OD2 ASP A 552 11.255 17.039 5.628 1.00 32.51 O ATOM 0 H ASP A 552 14.310 13.208 6.049 1.00 4.33 H new ATOM 0 HA ASP A 552 12.716 14.763 7.979 1.00 72.22 H new ATOM 0 HB2 ASP A 552 12.657 14.526 5.024 1.00 51.40 H new ATOM 0 HB3 ASP A 552 11.090 14.560 5.808 1.00 51.40 H new ATOM 772 N PHE A 553 12.305 11.719 7.069 1.00 63.33 N ATOM 773 CA PHE A 553 11.575 10.511 7.374 1.00 54.32 C ATOM 774 C PHE A 553 12.543 9.373 7.474 1.00 62.04 C ATOM 775 O PHE A 553 13.600 9.417 6.860 1.00 31.51 O ATOM 776 CB PHE A 553 10.506 10.201 6.314 1.00 32.13 C ATOM 777 CG PHE A 553 11.017 9.716 4.981 1.00 20.22 C ATOM 778 CD1 PHE A 553 11.396 10.603 3.996 1.00 24.12 C ATOM 779 CD2 PHE A 553 11.084 8.361 4.718 1.00 1.33 C ATOM 780 CE1 PHE A 553 11.829 10.145 2.770 1.00 13.23 C ATOM 781 CE2 PHE A 553 11.523 7.901 3.499 1.00 1.45 C ATOM 782 CZ PHE A 553 11.892 8.793 2.524 1.00 41.43 C ATOM 0 H PHE A 553 13.172 11.575 6.551 1.00 63.33 H new ATOM 0 HA PHE A 553 11.056 10.653 8.322 1.00 54.32 H new ATOM 0 HB2 PHE A 553 9.831 9.447 6.718 1.00 32.13 H new ATOM 0 HB3 PHE A 553 9.915 11.102 6.148 1.00 32.13 H new ATOM 0 HD1 PHE A 553 11.353 11.665 4.186 1.00 24.12 H new ATOM 0 HD2 PHE A 553 10.788 7.655 5.479 1.00 1.33 H new ATOM 0 HE1 PHE A 553 12.119 10.848 2.003 1.00 13.23 H new ATOM 0 HE2 PHE A 553 11.577 6.839 3.309 1.00 1.45 H new ATOM 0 HZ PHE A 553 12.232 8.434 1.564 1.00 41.43 H new ATOM 792 N GLU A 554 12.212 8.392 8.247 1.00 0.50 N ATOM 793 CA GLU A 554 13.031 7.223 8.392 1.00 32.32 C ATOM 794 C GLU A 554 12.601 6.263 7.276 1.00 61.30 C ATOM 795 O GLU A 554 11.415 5.931 7.162 1.00 73.14 O ATOM 796 CB GLU A 554 12.763 6.633 9.775 1.00 13.11 C ATOM 797 CG GLU A 554 13.849 5.756 10.383 1.00 73.20 C ATOM 798 CD GLU A 554 14.250 4.551 9.570 1.00 20.02 C ATOM 799 OE1 GLU A 554 13.632 3.480 9.738 1.00 71.40 O ATOM 800 OE2 GLU A 554 15.232 4.650 8.780 1.00 22.23 O ATOM 0 H GLU A 554 11.357 8.374 8.804 1.00 0.50 H new ATOM 0 HA GLU A 554 14.099 7.428 8.312 1.00 32.32 H new ATOM 0 HB2 GLU A 554 12.571 7.457 10.462 1.00 13.11 H new ATOM 0 HB3 GLU A 554 11.847 6.045 9.719 1.00 13.11 H new ATOM 0 HG2 GLU A 554 14.734 6.370 10.550 1.00 73.20 H new ATOM 0 HG3 GLU A 554 13.509 5.415 11.361 1.00 73.20 H new ATOM 807 N ASP A 555 13.538 5.881 6.439 1.00 51.45 N ATOM 808 CA ASP A 555 13.251 5.045 5.279 1.00 71.03 C ATOM 809 C ASP A 555 12.992 3.617 5.686 1.00 22.31 C ATOM 810 O ASP A 555 13.921 2.873 6.049 1.00 51.51 O ATOM 811 CB ASP A 555 14.401 5.090 4.284 1.00 30.44 C ATOM 812 CG ASP A 555 14.088 4.370 2.985 1.00 12.21 C ATOM 813 OD1 ASP A 555 13.550 5.020 2.058 1.00 54.23 O ATOM 814 OD2 ASP A 555 14.393 3.157 2.849 1.00 61.31 O ATOM 0 H ASP A 555 14.521 6.136 6.536 1.00 51.45 H new ATOM 0 HA ASP A 555 12.353 5.441 4.806 1.00 71.03 H new ATOM 0 HB2 ASP A 555 14.646 6.130 4.067 1.00 30.44 H new ATOM 0 HB3 ASP A 555 15.285 4.642 4.738 1.00 30.44 H new ATOM 819 N THR A 556 11.758 3.230 5.637 1.00 74.13 N ATOM 820 CA THR A 556 11.394 1.916 6.010 1.00 21.23 C ATOM 821 C THR A 556 11.110 1.078 4.759 1.00 30.22 C ATOM 822 O THR A 556 10.275 1.419 3.908 1.00 50.54 O ATOM 823 CB THR A 556 10.208 1.890 7.043 1.00 71.51 C ATOM 824 OG1 THR A 556 9.955 0.554 7.521 1.00 14.14 O ATOM 825 CG2 THR A 556 8.926 2.460 6.463 1.00 20.23 C ATOM 0 H THR A 556 10.982 3.820 5.337 1.00 74.13 H new ATOM 0 HA THR A 556 12.236 1.464 6.533 1.00 21.23 H new ATOM 0 HB THR A 556 10.521 2.520 7.876 1.00 71.51 H new ATOM 0 HG1 THR A 556 9.214 0.571 8.162 1.00 14.14 H new ATOM 0 HG21 THR A 556 8.137 2.420 7.214 1.00 20.23 H new ATOM 0 HG22 THR A 556 9.091 3.495 6.164 1.00 20.23 H new ATOM 0 HG23 THR A 556 8.628 1.875 5.593 1.00 20.23 H new ATOM 833 N CYS A 557 11.862 0.045 4.625 1.00 63.45 N ATOM 834 CA CYS A 557 11.738 -0.879 3.551 1.00 21.21 C ATOM 835 C CYS A 557 11.858 -2.281 4.101 1.00 14.20 C ATOM 836 O CYS A 557 12.941 -2.727 4.496 1.00 31.00 O ATOM 837 CB CYS A 557 12.768 -0.559 2.455 1.00 22.55 C ATOM 838 SG CYS A 557 14.363 0.025 3.085 1.00 22.14 S ATOM 0 H CYS A 557 12.607 -0.190 5.281 1.00 63.45 H new ATOM 0 HA CYS A 557 10.760 -0.797 3.076 1.00 21.21 H new ATOM 0 HB2 CYS A 557 12.933 -1.453 1.854 1.00 22.55 H new ATOM 0 HB3 CYS A 557 12.352 0.199 1.791 1.00 22.55 H new ATOM 0 HG CYS A 557 14.414 1.321 3.002 1.00 22.14 H new ATOM 844 N GLY A 558 10.742 -2.952 4.185 1.00 30.05 N ATOM 845 CA GLY A 558 10.703 -4.235 4.783 1.00 50.21 C ATOM 846 C GLY A 558 9.616 -5.056 4.195 1.00 64.14 C ATOM 847 O GLY A 558 9.210 -4.822 3.039 1.00 22.11 O ATOM 0 H GLY A 558 9.843 -2.616 3.839 1.00 30.05 H new ATOM 0 HA2 GLY A 558 11.661 -4.736 4.642 1.00 50.21 H new ATOM 0 HA3 GLY A 558 10.550 -4.136 5.858 1.00 50.21 H new ATOM 851 N GLU A 559 9.106 -5.973 4.963 1.00 32.40 N ATOM 852 CA GLU A 559 8.120 -6.905 4.501 1.00 71.32 C ATOM 853 C GLU A 559 7.080 -7.189 5.592 1.00 32.55 C ATOM 854 O GLU A 559 7.423 -7.490 6.738 1.00 24.44 O ATOM 855 CB GLU A 559 8.811 -8.194 4.063 1.00 41.23 C ATOM 856 CG GLU A 559 9.717 -8.051 2.838 1.00 24.23 C ATOM 857 CD GLU A 559 10.429 -9.325 2.472 1.00 32.20 C ATOM 858 OE1 GLU A 559 11.323 -9.757 3.226 1.00 74.12 O ATOM 859 OE2 GLU A 559 10.141 -9.908 1.406 1.00 72.51 O ATOM 0 H GLU A 559 9.367 -6.096 5.941 1.00 32.40 H new ATOM 0 HA GLU A 559 7.593 -6.473 3.650 1.00 71.32 H new ATOM 0 HB2 GLU A 559 9.405 -8.572 4.895 1.00 41.23 H new ATOM 0 HB3 GLU A 559 8.049 -8.944 3.849 1.00 41.23 H new ATOM 0 HG2 GLU A 559 9.119 -7.721 1.989 1.00 24.23 H new ATOM 0 HG3 GLU A 559 10.455 -7.273 3.030 1.00 24.23 H new ATOM 866 N LEU A 560 5.828 -7.068 5.224 1.00 22.33 N ATOM 867 CA LEU A 560 4.708 -7.304 6.109 1.00 44.34 C ATOM 868 C LEU A 560 4.279 -8.744 6.011 1.00 2.43 C ATOM 869 O LEU A 560 4.242 -9.311 4.916 1.00 73.11 O ATOM 870 CB LEU A 560 3.528 -6.432 5.699 1.00 62.22 C ATOM 871 CG LEU A 560 3.715 -4.928 5.801 1.00 30.43 C ATOM 872 CD1 LEU A 560 2.538 -4.210 5.178 1.00 52.13 C ATOM 873 CD2 LEU A 560 3.893 -4.503 7.252 1.00 34.53 C ATOM 0 H LEU A 560 5.551 -6.797 4.281 1.00 22.33 H new ATOM 0 HA LEU A 560 5.015 -7.066 7.127 1.00 44.34 H new ATOM 0 HB2 LEU A 560 3.271 -6.672 4.667 1.00 62.22 H new ATOM 0 HB3 LEU A 560 2.672 -6.710 6.314 1.00 62.22 H new ATOM 0 HG LEU A 560 4.618 -4.656 5.255 1.00 30.43 H new ATOM 0 HD11 LEU A 560 2.685 -3.133 5.258 1.00 52.13 H new ATOM 0 HD12 LEU A 560 2.457 -4.488 4.127 1.00 52.13 H new ATOM 0 HD13 LEU A 560 1.623 -4.491 5.699 1.00 52.13 H new ATOM 0 HD21 LEU A 560 4.025 -3.422 7.301 1.00 34.53 H new ATOM 0 HD22 LEU A 560 3.010 -4.787 7.825 1.00 34.53 H new ATOM 0 HD23 LEU A 560 4.771 -4.995 7.670 1.00 34.53 H new ATOM 885 N GLU A 561 3.954 -9.335 7.122 1.00 64.14 N ATOM 886 CA GLU A 561 3.511 -10.693 7.123 1.00 20.21 C ATOM 887 C GLU A 561 1.984 -10.785 7.218 1.00 14.12 C ATOM 888 O GLU A 561 1.367 -10.358 8.211 1.00 15.15 O ATOM 889 CB GLU A 561 4.138 -11.471 8.271 1.00 42.30 C ATOM 890 CG GLU A 561 3.781 -12.938 8.245 1.00 51.42 C ATOM 891 CD GLU A 561 4.159 -13.673 9.494 1.00 51.01 C ATOM 892 OE1 GLU A 561 5.337 -14.049 9.640 1.00 71.55 O ATOM 893 OE2 GLU A 561 3.277 -13.906 10.343 1.00 50.53 O ATOM 0 H GLU A 561 3.988 -8.894 8.041 1.00 64.14 H new ATOM 0 HA GLU A 561 3.829 -11.133 6.178 1.00 20.21 H new ATOM 0 HB2 GLU A 561 5.222 -11.364 8.227 1.00 42.30 H new ATOM 0 HB3 GLU A 561 3.813 -11.039 9.217 1.00 42.30 H new ATOM 0 HG2 GLU A 561 2.707 -13.039 8.086 1.00 51.42 H new ATOM 0 HG3 GLU A 561 4.275 -13.408 7.394 1.00 51.42 H new ATOM 900 N PHE A 562 1.391 -11.302 6.192 1.00 14.21 N ATOM 901 CA PHE A 562 -0.008 -11.633 6.188 1.00 14.44 C ATOM 902 C PHE A 562 -0.114 -13.132 6.195 1.00 4.23 C ATOM 903 O PHE A 562 0.830 -13.812 5.825 1.00 13.22 O ATOM 904 CB PHE A 562 -0.724 -11.106 4.947 1.00 13.34 C ATOM 905 CG PHE A 562 -1.281 -9.720 5.058 1.00 24.31 C ATOM 906 CD1 PHE A 562 -2.573 -9.531 5.528 1.00 71.45 C ATOM 907 CD2 PHE A 562 -0.552 -8.620 4.657 1.00 73.03 C ATOM 908 CE1 PHE A 562 -3.120 -8.273 5.600 1.00 62.13 C ATOM 909 CE2 PHE A 562 -1.097 -7.354 4.719 1.00 12.44 C ATOM 910 CZ PHE A 562 -2.385 -7.182 5.192 1.00 2.22 C ATOM 0 H PHE A 562 1.868 -11.512 5.315 1.00 14.21 H new ATOM 0 HA PHE A 562 -0.477 -11.176 7.060 1.00 14.44 H new ATOM 0 HB2 PHE A 562 -0.027 -11.132 4.110 1.00 13.34 H new ATOM 0 HB3 PHE A 562 -1.539 -11.787 4.704 1.00 13.34 H new ATOM 0 HD1 PHE A 562 -3.156 -10.384 5.841 1.00 71.45 H new ATOM 0 HD2 PHE A 562 0.456 -8.751 4.291 1.00 73.03 H new ATOM 0 HE1 PHE A 562 -4.124 -8.140 5.976 1.00 62.13 H new ATOM 0 HE2 PHE A 562 -0.519 -6.500 4.399 1.00 12.44 H new ATOM 0 HZ PHE A 562 -2.815 -6.192 5.241 1.00 2.22 H new ATOM 920 N GLN A 563 -1.221 -13.656 6.606 1.00 74.03 N ATOM 921 CA GLN A 563 -1.425 -15.079 6.589 1.00 42.24 C ATOM 922 C GLN A 563 -2.875 -15.385 6.783 1.00 12.41 C ATOM 923 O GLN A 563 -3.671 -14.469 6.949 1.00 30.12 O ATOM 924 CB GLN A 563 -0.556 -15.837 7.617 1.00 3.54 C ATOM 925 CG GLN A 563 -0.710 -15.426 9.059 1.00 2.31 C ATOM 926 CD GLN A 563 0.009 -16.378 9.981 1.00 10.34 C ATOM 927 OE1 GLN A 563 -0.568 -17.379 10.405 1.00 4.53 O ATOM 928 NE2 GLN A 563 1.243 -16.084 10.315 1.00 72.13 N ATOM 0 H GLN A 563 -2.011 -13.118 6.963 1.00 74.03 H new ATOM 0 HA GLN A 563 -1.103 -15.436 5.611 1.00 42.24 H new ATOM 0 HB2 GLN A 563 -0.784 -16.900 7.539 1.00 3.54 H new ATOM 0 HB3 GLN A 563 0.490 -15.714 7.337 1.00 3.54 H new ATOM 0 HG2 GLN A 563 -0.318 -14.418 9.196 1.00 2.31 H new ATOM 0 HG3 GLN A 563 -1.768 -15.394 9.319 1.00 2.31 H new ATOM 0 HE21 GLN A 563 1.686 -15.244 9.942 1.00 72.13 H new ATOM 0 HE22 GLN A 563 1.759 -16.695 10.948 1.00 72.13 H new ATOM 937 N ASN A 564 -3.209 -16.664 6.773 1.00 20.22 N ATOM 938 CA ASN A 564 -4.590 -17.135 6.939 1.00 34.13 C ATOM 939 C ASN A 564 -5.155 -16.671 8.280 1.00 15.00 C ATOM 940 O ASN A 564 -6.340 -16.383 8.404 1.00 72.24 O ATOM 941 CB ASN A 564 -4.667 -18.687 6.842 1.00 31.15 C ATOM 942 CG ASN A 564 -4.164 -19.431 8.091 1.00 52.41 C ATOM 943 OD1 ASN A 564 -4.937 -19.730 8.997 1.00 15.52 O ATOM 944 ND2 ASN A 564 -2.886 -19.713 8.161 1.00 41.14 N ATOM 0 H ASN A 564 -2.532 -17.417 6.649 1.00 20.22 H new ATOM 0 HA ASN A 564 -5.187 -16.708 6.133 1.00 34.13 H new ATOM 0 HB2 ASN A 564 -5.701 -18.976 6.655 1.00 31.15 H new ATOM 0 HB3 ASN A 564 -4.084 -19.014 5.981 1.00 31.15 H new ATOM 0 HD21 ASN A 564 -2.513 -20.191 8.981 1.00 41.14 H new ATOM 0 HD22 ASN A 564 -2.264 -19.454 7.395 1.00 41.14 H new ATOM 951 N ASP A 565 -4.278 -16.573 9.260 1.00 23.13 N ATOM 952 CA ASP A 565 -4.643 -16.192 10.623 1.00 53.04 C ATOM 953 C ASP A 565 -4.597 -14.669 10.806 1.00 42.43 C ATOM 954 O ASP A 565 -5.141 -14.124 11.767 1.00 54.11 O ATOM 955 CB ASP A 565 -3.688 -16.887 11.610 1.00 45.42 C ATOM 956 CG ASP A 565 -4.031 -16.663 13.067 1.00 30.02 C ATOM 957 OD1 ASP A 565 -4.960 -17.325 13.575 1.00 21.14 O ATOM 958 OD2 ASP A 565 -3.343 -15.878 13.742 1.00 13.45 O ATOM 0 H ASP A 565 -3.282 -16.756 9.138 1.00 23.13 H new ATOM 0 HA ASP A 565 -5.667 -16.511 10.819 1.00 53.04 H new ATOM 0 HB2 ASP A 565 -3.691 -17.958 11.408 1.00 45.42 H new ATOM 0 HB3 ASP A 565 -2.674 -16.531 11.428 1.00 45.42 H new ATOM 963 N GLU A 566 -4.017 -13.983 9.851 1.00 45.22 N ATOM 964 CA GLU A 566 -3.840 -12.551 9.951 1.00 71.33 C ATOM 965 C GLU A 566 -4.846 -11.778 9.169 1.00 62.21 C ATOM 966 O GLU A 566 -5.111 -12.067 8.003 1.00 42.10 O ATOM 967 CB GLU A 566 -2.451 -12.116 9.503 1.00 2.02 C ATOM 968 CG GLU A 566 -1.381 -12.300 10.535 1.00 44.24 C ATOM 969 CD GLU A 566 -1.632 -11.459 11.749 1.00 63.23 C ATOM 970 OE1 GLU A 566 -1.350 -10.243 11.716 1.00 0.22 O ATOM 971 OE2 GLU A 566 -2.077 -11.991 12.765 1.00 64.41 O ATOM 0 H GLU A 566 -3.657 -14.395 8.990 1.00 45.22 H new ATOM 0 HA GLU A 566 -3.977 -12.330 11.009 1.00 71.33 H new ATOM 0 HB2 GLU A 566 -2.178 -12.678 8.610 1.00 2.02 H new ATOM 0 HB3 GLU A 566 -2.487 -11.064 9.219 1.00 2.02 H new ATOM 0 HG2 GLU A 566 -1.330 -13.350 10.824 1.00 44.24 H new ATOM 0 HG3 GLU A 566 -0.413 -12.040 10.106 1.00 44.24 H new ATOM 978 N ILE A 567 -5.396 -10.801 9.804 1.00 21.13 N ATOM 979 CA ILE A 567 -6.216 -9.844 9.141 1.00 22.34 C ATOM 980 C ILE A 567 -5.552 -8.510 9.363 1.00 42.41 C ATOM 981 O ILE A 567 -4.816 -8.361 10.355 1.00 12.03 O ATOM 982 CB ILE A 567 -7.681 -9.758 9.654 1.00 13.25 C ATOM 983 CG1 ILE A 567 -7.741 -9.203 11.068 1.00 51.41 C ATOM 984 CG2 ILE A 567 -8.364 -11.118 9.598 1.00 14.42 C ATOM 985 CD1 ILE A 567 -8.948 -8.351 11.285 1.00 1.43 C ATOM 0 H ILE A 567 -5.289 -10.642 10.806 1.00 21.13 H new ATOM 0 HA ILE A 567 -6.298 -10.142 8.096 1.00 22.34 H new ATOM 0 HB ILE A 567 -8.214 -9.074 8.993 1.00 13.25 H new ATOM 0 HG12 ILE A 567 -7.747 -10.028 11.781 1.00 51.41 H new ATOM 0 HG13 ILE A 567 -6.843 -8.617 11.266 1.00 51.41 H new ATOM 0 HG21 ILE A 567 -9.387 -11.027 9.963 1.00 14.42 H new ATOM 0 HG22 ILE A 567 -8.376 -11.477 8.569 1.00 14.42 H new ATOM 0 HG23 ILE A 567 -7.818 -11.825 10.222 1.00 14.42 H new ATOM 0 HD11 ILE A 567 -8.950 -7.976 12.309 1.00 1.43 H new ATOM 0 HD12 ILE A 567 -8.930 -7.511 10.591 1.00 1.43 H new ATOM 0 HD13 ILE A 567 -9.847 -8.943 11.114 1.00 1.43 H new ATOM 997 N VAL A 568 -5.821 -7.570 8.482 1.00 34.22 N ATOM 998 CA VAL A 568 -5.246 -6.214 8.469 1.00 43.14 C ATOM 999 C VAL A 568 -3.677 -6.208 8.635 1.00 33.01 C ATOM 1000 O VAL A 568 -3.026 -7.264 8.719 1.00 13.12 O ATOM 1001 CB VAL A 568 -5.972 -5.272 9.514 1.00 34.30 C ATOM 1002 CG1 VAL A 568 -5.390 -5.332 10.930 1.00 3.33 C ATOM 1003 CG2 VAL A 568 -6.093 -3.849 9.008 1.00 61.23 C ATOM 0 H VAL A 568 -6.475 -7.723 7.714 1.00 34.22 H new ATOM 0 HA VAL A 568 -5.432 -5.802 7.477 1.00 43.14 H new ATOM 0 HB VAL A 568 -6.980 -5.677 9.607 1.00 34.30 H new ATOM 0 HG11 VAL A 568 -5.946 -4.657 11.581 1.00 3.33 H new ATOM 0 HG12 VAL A 568 -5.467 -6.350 11.312 1.00 3.33 H new ATOM 0 HG13 VAL A 568 -4.342 -5.032 10.906 1.00 3.33 H new ATOM 0 HG21 VAL A 568 -6.597 -3.238 9.757 1.00 61.23 H new ATOM 0 HG22 VAL A 568 -5.099 -3.444 8.819 1.00 61.23 H new ATOM 0 HG23 VAL A 568 -6.670 -3.839 8.083 1.00 61.23 H new ATOM 1013 N LYS A 569 -3.087 -5.043 8.600 1.00 13.33 N ATOM 1014 CA LYS A 569 -1.676 -4.878 8.837 1.00 54.44 C ATOM 1015 C LYS A 569 -1.436 -3.395 8.905 1.00 53.20 C ATOM 1016 O LYS A 569 -2.310 -2.621 8.488 1.00 53.03 O ATOM 1017 CB LYS A 569 -0.839 -5.463 7.679 1.00 34.20 C ATOM 1018 CG LYS A 569 0.626 -5.763 8.008 1.00 62.11 C ATOM 1019 CD LYS A 569 0.871 -7.170 8.573 1.00 2.41 C ATOM 1020 CE LYS A 569 0.083 -7.480 9.829 1.00 70.30 C ATOM 1021 NZ LYS A 569 0.407 -8.820 10.346 1.00 64.33 N ATOM 0 H LYS A 569 -3.578 -4.171 8.404 1.00 13.33 H new ATOM 0 HA LYS A 569 -1.384 -5.396 9.751 1.00 54.44 H new ATOM 0 HB2 LYS A 569 -1.313 -6.385 7.341 1.00 34.20 H new ATOM 0 HB3 LYS A 569 -0.869 -4.764 6.843 1.00 34.20 H new ATOM 0 HG2 LYS A 569 1.222 -5.638 7.104 1.00 62.11 H new ATOM 0 HG3 LYS A 569 0.982 -5.027 8.729 1.00 62.11 H new ATOM 0 HD2 LYS A 569 0.619 -7.905 7.809 1.00 2.41 H new ATOM 0 HD3 LYS A 569 1.934 -7.284 8.787 1.00 2.41 H new ATOM 0 HE2 LYS A 569 0.300 -6.731 10.591 1.00 70.30 H new ATOM 0 HE3 LYS A 569 -0.984 -7.418 9.616 1.00 70.30 H new ATOM 0 HZ1 LYS A 569 -0.442 -9.241 10.775 1.00 64.33 H new ATOM 0 HZ2 LYS A 569 0.736 -9.423 9.565 1.00 64.33 H new ATOM 0 HZ3 LYS A 569 1.156 -8.744 11.064 1.00 64.33 H new ATOM 1035 N THR A 570 -0.318 -2.996 9.428 1.00 10.02 N ATOM 1036 CA THR A 570 0.048 -1.616 9.467 1.00 54.15 C ATOM 1037 C THR A 570 1.494 -1.433 9.065 1.00 62.23 C ATOM 1038 O THR A 570 2.344 -2.285 9.362 1.00 23.45 O ATOM 1039 CB THR A 570 -0.161 -1.001 10.867 1.00 3.35 C ATOM 1040 OG1 THR A 570 0.339 -1.878 11.894 1.00 2.11 O ATOM 1041 CG2 THR A 570 -1.611 -0.660 11.135 1.00 11.33 C ATOM 0 H THR A 570 0.370 -3.624 9.843 1.00 10.02 H new ATOM 0 HA THR A 570 -0.603 -1.101 8.760 1.00 54.15 H new ATOM 0 HB THR A 570 0.405 -0.070 10.887 1.00 3.35 H new ATOM 0 HG1 THR A 570 0.544 -1.357 12.698 1.00 2.11 H new ATOM 0 HG21 THR A 570 -1.705 -0.231 12.132 1.00 11.33 H new ATOM 0 HG22 THR A 570 -1.958 0.061 10.395 1.00 11.33 H new ATOM 0 HG23 THR A 570 -2.215 -1.565 11.071 1.00 11.33 H new ATOM 1049 N ILE A 571 1.759 -0.383 8.328 1.00 13.25 N ATOM 1050 CA ILE A 571 3.120 0.019 8.064 1.00 51.34 C ATOM 1051 C ILE A 571 3.436 1.099 9.055 1.00 54.31 C ATOM 1052 O ILE A 571 2.718 2.091 9.115 1.00 52.33 O ATOM 1053 CB ILE A 571 3.373 0.606 6.623 1.00 52.04 C ATOM 1054 CG1 ILE A 571 3.170 -0.417 5.509 1.00 34.52 C ATOM 1055 CG2 ILE A 571 4.766 1.192 6.512 1.00 35.20 C ATOM 1056 CD1 ILE A 571 1.746 -0.721 5.198 1.00 62.45 C ATOM 0 H ILE A 571 1.049 0.211 7.899 1.00 13.25 H new ATOM 0 HA ILE A 571 3.745 -0.871 8.141 1.00 51.34 H new ATOM 0 HB ILE A 571 2.626 1.389 6.491 1.00 52.04 H new ATOM 0 HG12 ILE A 571 3.655 -0.051 4.604 1.00 34.52 H new ATOM 0 HG13 ILE A 571 3.673 -1.343 5.788 1.00 34.52 H new ATOM 0 HG21 ILE A 571 4.914 1.590 5.508 1.00 35.20 H new ATOM 0 HG22 ILE A 571 4.883 1.994 7.241 1.00 35.20 H new ATOM 0 HG23 ILE A 571 5.504 0.414 6.707 1.00 35.20 H new ATOM 0 HD11 ILE A 571 1.698 -1.457 4.395 1.00 62.45 H new ATOM 0 HD12 ILE A 571 1.257 -1.121 6.086 1.00 62.45 H new ATOM 0 HD13 ILE A 571 1.239 0.192 4.884 1.00 62.45 H new ATOM 1068 N SER A 572 4.443 0.900 9.838 1.00 55.31 N ATOM 1069 CA SER A 572 4.861 1.884 10.778 1.00 53.02 C ATOM 1070 C SER A 572 6.056 2.641 10.217 1.00 62.15 C ATOM 1071 O SER A 572 7.102 2.048 9.890 1.00 31.33 O ATOM 1072 CB SER A 572 5.179 1.229 12.130 1.00 21.22 C ATOM 1073 OG SER A 572 6.114 0.168 11.988 1.00 72.35 O ATOM 0 H SER A 572 5.001 0.046 9.844 1.00 55.31 H new ATOM 0 HA SER A 572 4.056 2.599 10.949 1.00 53.02 H new ATOM 0 HB2 SER A 572 5.579 1.978 12.813 1.00 21.22 H new ATOM 0 HB3 SER A 572 4.260 0.848 12.576 1.00 21.22 H new ATOM 0 HG SER A 572 6.712 0.358 11.235 1.00 72.35 H new ATOM 1079 N VAL A 573 5.893 3.918 10.040 1.00 74.41 N ATOM 1080 CA VAL A 573 6.957 4.741 9.529 1.00 54.14 C ATOM 1081 C VAL A 573 7.326 5.758 10.568 1.00 1.52 C ATOM 1082 O VAL A 573 6.439 6.450 11.103 1.00 3.55 O ATOM 1083 CB VAL A 573 6.559 5.484 8.222 1.00 12.52 C ATOM 1084 CG1 VAL A 573 7.738 6.276 7.657 1.00 22.15 C ATOM 1085 CG2 VAL A 573 6.020 4.519 7.182 1.00 44.10 C ATOM 0 H VAL A 573 5.028 4.419 10.243 1.00 74.41 H new ATOM 0 HA VAL A 573 7.797 4.087 9.296 1.00 54.14 H new ATOM 0 HB VAL A 573 5.765 6.187 8.475 1.00 12.52 H new ATOM 0 HG11 VAL A 573 7.430 6.785 6.744 1.00 22.15 H new ATOM 0 HG12 VAL A 573 8.066 7.013 8.390 1.00 22.15 H new ATOM 0 HG13 VAL A 573 8.560 5.596 7.434 1.00 22.15 H new ATOM 0 HG21 VAL A 573 5.751 5.069 6.280 1.00 44.10 H new ATOM 0 HG22 VAL A 573 6.784 3.779 6.941 1.00 44.10 H new ATOM 0 HG23 VAL A 573 5.138 4.015 7.576 1.00 44.10 H new ATOM 1095 N LYS A 574 8.598 5.816 10.902 1.00 10.14 N ATOM 1096 CA LYS A 574 9.085 6.817 11.785 1.00 42.44 C ATOM 1097 C LYS A 574 9.221 8.110 11.019 1.00 10.54 C ATOM 1098 O LYS A 574 10.078 8.258 10.135 1.00 53.35 O ATOM 1099 CB LYS A 574 10.420 6.385 12.437 1.00 24.51 C ATOM 1100 CG LYS A 574 11.193 7.501 13.163 1.00 63.42 C ATOM 1101 CD LYS A 574 10.464 8.093 14.372 1.00 4.43 C ATOM 1102 CE LYS A 574 10.348 7.101 15.515 1.00 33.11 C ATOM 1103 NZ LYS A 574 9.835 7.739 16.741 1.00 44.42 N ATOM 0 H LYS A 574 9.309 5.167 10.563 1.00 10.14 H new ATOM 0 HA LYS A 574 8.380 6.964 12.603 1.00 42.44 H new ATOM 0 HB2 LYS A 574 10.215 5.586 13.149 1.00 24.51 H new ATOM 0 HB3 LYS A 574 11.063 5.965 11.664 1.00 24.51 H new ATOM 0 HG2 LYS A 574 12.154 7.106 13.492 1.00 63.42 H new ATOM 0 HG3 LYS A 574 11.403 8.301 12.453 1.00 63.42 H new ATOM 0 HD2 LYS A 574 10.996 8.980 14.716 1.00 4.43 H new ATOM 0 HD3 LYS A 574 9.467 8.416 14.071 1.00 4.43 H new ATOM 0 HE2 LYS A 574 9.685 6.286 15.224 1.00 33.11 H new ATOM 0 HE3 LYS A 574 11.325 6.661 15.715 1.00 33.11 H new ATOM 0 HZ1 LYS A 574 9.769 7.031 17.500 1.00 44.42 H new ATOM 0 HZ2 LYS A 574 10.481 8.500 17.033 1.00 44.42 H new ATOM 0 HZ3 LYS A 574 8.892 8.137 16.557 1.00 44.42 H new ATOM 1117 N VAL A 575 8.335 8.997 11.291 1.00 63.11 N ATOM 1118 CA VAL A 575 8.393 10.282 10.710 1.00 71.30 C ATOM 1119 C VAL A 575 9.327 11.073 11.567 1.00 51.13 C ATOM 1120 O VAL A 575 9.126 11.182 12.777 1.00 24.43 O ATOM 1121 CB VAL A 575 6.997 10.958 10.638 1.00 75.33 C ATOM 1122 CG1 VAL A 575 7.090 12.346 10.004 1.00 22.33 C ATOM 1123 CG2 VAL A 575 6.029 10.080 9.851 1.00 42.31 C ATOM 0 H VAL A 575 7.549 8.850 11.924 1.00 63.11 H new ATOM 0 HA VAL A 575 8.739 10.222 9.678 1.00 71.30 H new ATOM 0 HB VAL A 575 6.623 11.076 11.655 1.00 75.33 H new ATOM 0 HG11 VAL A 575 6.098 12.796 9.966 1.00 22.33 H new ATOM 0 HG12 VAL A 575 7.751 12.975 10.600 1.00 22.33 H new ATOM 0 HG13 VAL A 575 7.487 12.258 8.993 1.00 22.33 H new ATOM 0 HG21 VAL A 575 5.053 10.563 9.807 1.00 42.31 H new ATOM 0 HG22 VAL A 575 6.409 9.936 8.840 1.00 42.31 H new ATOM 0 HG23 VAL A 575 5.933 9.113 10.344 1.00 42.31 H new ATOM 1133 N ILE A 576 10.378 11.538 10.978 1.00 23.03 N ATOM 1134 CA ILE A 576 11.366 12.268 11.696 1.00 33.11 C ATOM 1135 C ILE A 576 10.812 13.648 11.915 1.00 33.12 C ATOM 1136 O ILE A 576 10.263 14.238 10.980 1.00 51.14 O ATOM 1137 CB ILE A 576 12.697 12.341 10.893 1.00 53.43 C ATOM 1138 CG1 ILE A 576 13.160 10.924 10.479 1.00 45.11 C ATOM 1139 CG2 ILE A 576 13.782 13.048 11.697 1.00 10.44 C ATOM 1140 CD1 ILE A 576 13.483 9.991 11.614 1.00 61.11 C ATOM 0 H ILE A 576 10.575 11.422 9.984 1.00 23.03 H new ATOM 0 HA ILE A 576 11.591 11.778 12.644 1.00 33.11 H new ATOM 0 HB ILE A 576 12.516 12.922 9.989 1.00 53.43 H new ATOM 0 HG12 ILE A 576 12.379 10.469 9.869 1.00 45.11 H new ATOM 0 HG13 ILE A 576 14.043 11.019 9.847 1.00 45.11 H new ATOM 0 HG21 ILE A 576 14.702 13.085 11.113 1.00 10.44 H new ATOM 0 HG22 ILE A 576 13.459 14.062 11.931 1.00 10.44 H new ATOM 0 HG23 ILE A 576 13.962 12.502 12.623 1.00 10.44 H new ATOM 0 HD11 ILE A 576 13.797 9.027 11.214 1.00 61.11 H new ATOM 0 HD12 ILE A 576 14.288 10.414 12.215 1.00 61.11 H new ATOM 0 HD13 ILE A 576 12.599 9.855 12.237 1.00 61.11 H new ATOM 1152 N ASP A 577 10.884 14.123 13.149 1.00 43.44 N ATOM 1153 CA ASP A 577 10.376 15.450 13.490 1.00 71.34 C ATOM 1154 C ASP A 577 11.110 16.502 12.685 1.00 44.03 C ATOM 1155 O ASP A 577 12.245 16.869 12.973 1.00 0.33 O ATOM 1156 CB ASP A 577 10.398 15.741 15.021 1.00 23.20 C ATOM 1157 CG ASP A 577 11.764 15.665 15.684 1.00 65.42 C ATOM 1158 OD1 ASP A 577 12.258 14.541 15.925 1.00 31.43 O ATOM 1159 OD2 ASP A 577 12.358 16.722 16.003 1.00 64.22 O ATOM 0 H ASP A 577 11.289 13.612 13.934 1.00 43.44 H new ATOM 0 HA ASP A 577 9.321 15.483 13.219 1.00 71.34 H new ATOM 0 HB2 ASP A 577 9.987 16.736 15.190 1.00 23.20 H new ATOM 0 HB3 ASP A 577 9.733 15.034 15.517 1.00 23.20 H new ATOM 1164 N ASP A 578 10.463 16.922 11.631 1.00 23.11 N ATOM 1165 CA ASP A 578 11.041 17.801 10.649 1.00 61.13 C ATOM 1166 C ASP A 578 11.452 19.151 11.199 1.00 24.04 C ATOM 1167 O ASP A 578 10.709 19.814 11.924 1.00 41.50 O ATOM 1168 CB ASP A 578 10.151 17.927 9.427 1.00 55.41 C ATOM 1169 CG ASP A 578 10.704 18.888 8.430 1.00 31.33 C ATOM 1170 OD1 ASP A 578 11.913 18.820 8.131 1.00 53.13 O ATOM 1171 OD2 ASP A 578 9.955 19.767 7.966 1.00 62.43 O ATOM 0 H ASP A 578 9.499 16.657 11.426 1.00 23.11 H new ATOM 0 HA ASP A 578 11.973 17.329 10.337 1.00 61.13 H new ATOM 0 HB2 ASP A 578 10.034 16.949 8.961 1.00 55.41 H new ATOM 0 HB3 ASP A 578 9.158 18.255 9.734 1.00 55.41 H new ATOM 1176 N GLU A 579 12.634 19.527 10.822 1.00 14.10 N ATOM 1177 CA GLU A 579 13.309 20.698 11.295 1.00 40.01 C ATOM 1178 C GLU A 579 13.157 21.916 10.376 1.00 5.01 C ATOM 1179 O GLU A 579 13.477 23.033 10.792 1.00 22.52 O ATOM 1180 CB GLU A 579 14.809 20.396 11.495 1.00 41.25 C ATOM 1181 CG GLU A 579 15.554 19.866 10.244 1.00 42.25 C ATOM 1182 CD GLU A 579 15.170 18.446 9.858 1.00 15.41 C ATOM 1183 OE1 GLU A 579 15.633 17.514 10.530 1.00 62.13 O ATOM 1184 OE2 GLU A 579 14.326 18.263 8.887 1.00 74.14 O ATOM 0 H GLU A 579 13.183 19.000 10.142 1.00 14.10 H new ATOM 0 HA GLU A 579 12.834 20.957 12.241 1.00 40.01 H new ATOM 0 HB2 GLU A 579 15.304 21.307 11.832 1.00 41.25 H new ATOM 0 HB3 GLU A 579 14.911 19.663 12.295 1.00 41.25 H new ATOM 0 HG2 GLU A 579 15.350 20.529 9.403 1.00 42.25 H new ATOM 0 HG3 GLU A 579 16.628 19.905 10.428 1.00 42.25 H new ATOM 1191 N GLU A 580 12.691 21.742 9.145 1.00 10.21 N ATOM 1192 CA GLU A 580 12.630 22.902 8.269 1.00 70.31 C ATOM 1193 C GLU A 580 11.244 23.152 7.688 1.00 11.53 C ATOM 1194 O GLU A 580 10.320 22.297 7.798 1.00 24.03 O ATOM 1195 CB GLU A 580 13.757 22.931 7.171 1.00 62.35 C ATOM 1196 CG GLU A 580 13.675 21.941 5.989 1.00 60.32 C ATOM 1197 CD GLU A 580 13.790 20.479 6.360 1.00 3.12 C ATOM 1198 OE1 GLU A 580 14.633 20.063 7.097 1.00 54.30 O ATOM 1199 OE2 GLU A 580 12.993 19.675 5.972 1.00 34.42 O ATOM 0 H GLU A 580 12.367 20.860 8.748 1.00 10.21 H new ATOM 0 HA GLU A 580 12.839 23.747 8.925 1.00 70.31 H new ATOM 0 HB2 GLU A 580 13.786 23.938 6.755 1.00 62.35 H new ATOM 0 HB3 GLU A 580 14.710 22.766 7.673 1.00 62.35 H new ATOM 0 HG2 GLU A 580 12.727 22.094 5.473 1.00 60.32 H new ATOM 0 HG3 GLU A 580 14.466 22.182 5.279 1.00 60.32 H new ATOM 1206 N TYR A 581 11.075 24.329 7.117 1.00 15.12 N ATOM 1207 CA TYR A 581 9.831 24.703 6.488 1.00 55.42 C ATOM 1208 C TYR A 581 9.708 23.908 5.203 1.00 64.33 C ATOM 1209 O TYR A 581 10.722 23.492 4.617 1.00 41.03 O ATOM 1210 CB TYR A 581 9.791 26.218 6.146 1.00 3.22 C ATOM 1211 CG TYR A 581 10.424 26.574 4.806 1.00 61.14 C ATOM 1212 CD1 TYR A 581 11.797 26.649 4.652 1.00 10.22 C ATOM 1213 CD2 TYR A 581 9.620 26.793 3.687 1.00 30.32 C ATOM 1214 CE1 TYR A 581 12.358 26.930 3.426 1.00 34.44 C ATOM 1215 CE2 TYR A 581 10.167 27.078 2.464 1.00 3.22 C ATOM 1216 CZ TYR A 581 11.538 27.146 2.333 1.00 11.13 C ATOM 1217 OH TYR A 581 12.092 27.423 1.104 1.00 4.11 O ATOM 0 H TYR A 581 11.797 25.049 7.078 1.00 15.12 H new ATOM 0 HA TYR A 581 9.011 24.495 7.175 1.00 55.42 H new ATOM 0 HB2 TYR A 581 8.753 26.551 6.145 1.00 3.22 H new ATOM 0 HB3 TYR A 581 10.302 26.770 6.935 1.00 3.22 H new ATOM 0 HD1 TYR A 581 12.438 26.485 5.506 1.00 10.22 H new ATOM 0 HD2 TYR A 581 8.546 26.737 3.787 1.00 30.32 H new ATOM 0 HE1 TYR A 581 13.431 26.981 3.319 1.00 34.44 H new ATOM 0 HE2 TYR A 581 9.529 27.248 1.609 1.00 3.22 H new ATOM 0 HH TYR A 581 11.378 27.547 0.444 1.00 4.11 H new ATOM 1227 N GLU A 582 8.526 23.679 4.775 1.00 73.44 N ATOM 1228 CA GLU A 582 8.316 22.996 3.543 1.00 63.13 C ATOM 1229 C GLU A 582 7.048 23.504 2.924 1.00 3.12 C ATOM 1230 O GLU A 582 6.250 24.167 3.580 1.00 14.34 O ATOM 1231 CB GLU A 582 8.228 21.500 3.803 1.00 14.23 C ATOM 1232 CG GLU A 582 7.045 21.120 4.652 1.00 51.32 C ATOM 1233 CD GLU A 582 7.269 19.867 5.391 1.00 41.23 C ATOM 1234 OE1 GLU A 582 7.812 19.944 6.535 1.00 22.41 O ATOM 1235 OE2 GLU A 582 6.952 18.798 4.875 1.00 21.51 O ATOM 0 H GLU A 582 7.673 23.956 5.262 1.00 73.44 H new ATOM 0 HA GLU A 582 9.145 23.177 2.859 1.00 63.13 H new ATOM 0 HB2 GLU A 582 8.169 20.974 2.850 1.00 14.23 H new ATOM 0 HB3 GLU A 582 9.143 21.168 4.294 1.00 14.23 H new ATOM 0 HG2 GLU A 582 6.834 21.923 5.358 1.00 51.32 H new ATOM 0 HG3 GLU A 582 6.165 21.013 4.018 1.00 51.32 H new ATOM 1242 N LYS A 583 6.858 23.197 1.690 1.00 13.40 N ATOM 1243 CA LYS A 583 5.644 23.544 0.984 1.00 62.31 C ATOM 1244 C LYS A 583 4.843 22.290 0.805 1.00 35.12 C ATOM 1245 O LYS A 583 4.079 22.118 -0.140 1.00 74.21 O ATOM 1246 CB LYS A 583 5.986 24.162 -0.318 1.00 41.01 C ATOM 1247 CG LYS A 583 6.626 25.529 -0.172 1.00 42.02 C ATOM 1248 CD LYS A 583 5.650 26.526 0.455 1.00 11.04 C ATOM 1249 CE LYS A 583 6.265 27.900 0.642 1.00 32.44 C ATOM 1250 NZ LYS A 583 6.622 28.555 -0.632 1.00 21.40 N ATOM 0 H LYS A 583 7.539 22.692 1.123 1.00 13.40 H new ATOM 0 HA LYS A 583 5.055 24.269 1.545 1.00 62.31 H new ATOM 0 HB2 LYS A 583 6.666 23.504 -0.859 1.00 41.01 H new ATOM 0 HB3 LYS A 583 5.082 24.252 -0.920 1.00 41.01 H new ATOM 0 HG2 LYS A 583 7.520 25.452 0.446 1.00 42.02 H new ATOM 0 HG3 LYS A 583 6.945 25.892 -1.149 1.00 42.02 H new ATOM 0 HD2 LYS A 583 4.766 26.610 -0.176 1.00 11.04 H new ATOM 0 HD3 LYS A 583 5.317 26.146 1.421 1.00 11.04 H new ATOM 0 HE2 LYS A 583 5.564 28.534 1.185 1.00 32.44 H new ATOM 0 HE3 LYS A 583 7.158 27.810 1.260 1.00 32.44 H new ATOM 0 HZ1 LYS A 583 6.942 29.527 -0.445 1.00 21.40 H new ATOM 0 HZ2 LYS A 583 7.386 28.022 -1.094 1.00 21.40 H new ATOM 0 HZ3 LYS A 583 5.790 28.578 -1.255 1.00 21.40 H new ATOM 1264 N ASN A 584 5.058 21.463 1.775 1.00 44.41 N ATOM 1265 CA ASN A 584 4.471 20.166 1.990 1.00 20.31 C ATOM 1266 C ASN A 584 5.137 19.118 1.156 1.00 54.34 C ATOM 1267 O ASN A 584 4.843 18.969 -0.038 1.00 31.13 O ATOM 1268 CB ASN A 584 2.967 20.160 1.786 1.00 3.11 C ATOM 1269 CG ASN A 584 2.191 20.921 2.839 1.00 72.33 C ATOM 1270 OD1 ASN A 584 1.898 22.110 2.686 1.00 42.51 O ATOM 1271 ND2 ASN A 584 1.863 20.272 3.906 1.00 65.44 N ATOM 0 H ASN A 584 5.717 21.697 2.518 1.00 44.41 H new ATOM 0 HA ASN A 584 4.643 19.921 3.038 1.00 20.31 H new ATOM 0 HB2 ASN A 584 2.743 20.586 0.808 1.00 3.11 H new ATOM 0 HB3 ASN A 584 2.619 19.127 1.771 1.00 3.11 H new ATOM 0 HD21 ASN A 584 1.348 20.742 4.651 1.00 65.44 H new ATOM 0 HD22 ASN A 584 2.119 19.290 4.004 1.00 65.44 H new ATOM 1278 N LYS A 585 6.085 18.420 1.746 1.00 14.14 N ATOM 1279 CA LYS A 585 6.714 17.345 1.036 1.00 3.35 C ATOM 1280 C LYS A 585 5.895 16.077 1.185 1.00 4.04 C ATOM 1281 O LYS A 585 5.035 15.982 2.074 1.00 20.14 O ATOM 1282 CB LYS A 585 8.235 17.153 1.376 1.00 64.31 C ATOM 1283 CG LYS A 585 8.647 17.048 2.863 1.00 23.02 C ATOM 1284 CD LYS A 585 7.949 15.916 3.599 1.00 65.30 C ATOM 1285 CE LYS A 585 8.486 15.706 5.006 1.00 22.30 C ATOM 1286 NZ LYS A 585 8.577 16.957 5.790 1.00 43.13 N ATOM 0 H LYS A 585 6.426 18.578 2.694 1.00 14.14 H new ATOM 0 HA LYS A 585 6.727 17.617 -0.020 1.00 3.35 H new ATOM 0 HB2 LYS A 585 8.577 16.249 0.872 1.00 64.31 H new ATOM 0 HB3 LYS A 585 8.781 17.988 0.938 1.00 64.31 H new ATOM 0 HG2 LYS A 585 9.725 16.903 2.925 1.00 23.02 H new ATOM 0 HG3 LYS A 585 8.423 17.990 3.363 1.00 23.02 H new ATOM 0 HD2 LYS A 585 6.881 16.127 3.651 1.00 65.30 H new ATOM 0 HD3 LYS A 585 8.064 14.994 3.030 1.00 65.30 H new ATOM 0 HE2 LYS A 585 7.842 15.002 5.532 1.00 22.30 H new ATOM 0 HE3 LYS A 585 9.474 15.250 4.946 1.00 22.30 H new ATOM 0 HZ1 LYS A 585 8.496 16.738 6.804 1.00 43.13 H new ATOM 0 HZ2 LYS A 585 9.492 17.416 5.607 1.00 43.13 H new ATOM 0 HZ3 LYS A 585 7.807 17.598 5.512 1.00 43.13 H new ATOM 1300 N THR A 586 6.137 15.128 0.346 1.00 34.04 N ATOM 1301 CA THR A 586 5.400 13.920 0.368 1.00 2.13 C ATOM 1302 C THR A 586 6.268 12.778 -0.083 1.00 65.50 C ATOM 1303 O THR A 586 7.174 12.953 -0.921 1.00 62.32 O ATOM 1304 CB THR A 586 4.071 14.042 -0.475 1.00 43.31 C ATOM 1305 OG1 THR A 586 3.351 12.816 -0.509 1.00 61.20 O ATOM 1306 CG2 THR A 586 4.327 14.511 -1.895 1.00 3.45 C ATOM 0 H THR A 586 6.856 15.173 -0.376 1.00 34.04 H new ATOM 0 HA THR A 586 5.091 13.713 1.393 1.00 2.13 H new ATOM 0 HB THR A 586 3.469 14.795 0.034 1.00 43.31 H new ATOM 0 HG1 THR A 586 3.591 12.274 0.271 1.00 61.20 H new ATOM 0 HG21 THR A 586 3.381 14.578 -2.432 1.00 3.45 H new ATOM 0 HG22 THR A 586 4.803 15.491 -1.874 1.00 3.45 H new ATOM 0 HG23 THR A 586 4.981 13.801 -2.400 1.00 3.45 H new ATOM 1314 N PHE A 587 6.045 11.657 0.540 1.00 72.54 N ATOM 1315 CA PHE A 587 6.701 10.436 0.240 1.00 55.13 C ATOM 1316 C PHE A 587 5.664 9.362 0.064 1.00 61.21 C ATOM 1317 O PHE A 587 4.583 9.426 0.668 1.00 41.04 O ATOM 1318 CB PHE A 587 7.796 10.066 1.269 1.00 71.44 C ATOM 1319 CG PHE A 587 7.517 10.377 2.724 1.00 75.43 C ATOM 1320 CD1 PHE A 587 6.660 9.611 3.494 1.00 71.22 C ATOM 1321 CD2 PHE A 587 8.174 11.426 3.325 1.00 13.14 C ATOM 1322 CE1 PHE A 587 6.480 9.903 4.846 1.00 11.41 C ATOM 1323 CE2 PHE A 587 7.993 11.720 4.654 1.00 3.12 C ATOM 1324 CZ PHE A 587 7.148 10.953 5.417 1.00 61.11 C ATOM 0 H PHE A 587 5.371 11.575 1.301 1.00 72.54 H new ATOM 0 HA PHE A 587 7.249 10.550 -0.695 1.00 55.13 H new ATOM 0 HB2 PHE A 587 7.991 8.997 1.184 1.00 71.44 H new ATOM 0 HB3 PHE A 587 8.714 10.581 0.984 1.00 71.44 H new ATOM 0 HD1 PHE A 587 6.129 8.784 3.047 1.00 71.22 H new ATOM 0 HD2 PHE A 587 8.848 12.032 2.738 1.00 13.14 H new ATOM 0 HE1 PHE A 587 5.813 9.300 5.444 1.00 11.41 H new ATOM 0 HE2 PHE A 587 8.515 12.554 5.099 1.00 3.12 H new ATOM 0 HZ PHE A 587 7.011 11.177 6.465 1.00 61.11 H new ATOM 1334 N PHE A 588 5.957 8.410 -0.757 1.00 35.11 N ATOM 1335 CA PHE A 588 4.981 7.428 -1.127 1.00 62.21 C ATOM 1336 C PHE A 588 5.291 6.118 -0.464 1.00 2.13 C ATOM 1337 O PHE A 588 6.447 5.711 -0.393 1.00 61.04 O ATOM 1338 CB PHE A 588 4.971 7.243 -2.650 1.00 11.03 C ATOM 1339 CG PHE A 588 5.053 8.536 -3.420 1.00 75.25 C ATOM 1340 CD1 PHE A 588 4.001 9.433 -3.440 1.00 32.31 C ATOM 1341 CD2 PHE A 588 6.205 8.853 -4.115 1.00 11.44 C ATOM 1342 CE1 PHE A 588 4.101 10.622 -4.138 1.00 11.44 C ATOM 1343 CE2 PHE A 588 6.309 10.034 -4.816 1.00 11.22 C ATOM 1344 CZ PHE A 588 5.257 10.921 -4.826 1.00 34.30 C ATOM 0 H PHE A 588 6.872 8.287 -1.191 1.00 35.11 H new ATOM 0 HA PHE A 588 3.999 7.772 -0.801 1.00 62.21 H new ATOM 0 HB2 PHE A 588 5.809 6.607 -2.935 1.00 11.03 H new ATOM 0 HB3 PHE A 588 4.060 6.717 -2.937 1.00 11.03 H new ATOM 0 HD1 PHE A 588 3.092 9.202 -2.905 1.00 32.31 H new ATOM 0 HD2 PHE A 588 7.037 8.164 -4.108 1.00 11.44 H new ATOM 0 HE1 PHE A 588 3.274 11.316 -4.144 1.00 11.44 H new ATOM 0 HE2 PHE A 588 7.215 10.264 -5.357 1.00 11.22 H new ATOM 0 HZ PHE A 588 5.337 11.849 -5.372 1.00 34.30 H new ATOM 1354 N LEU A 589 4.292 5.486 0.051 1.00 14.22 N ATOM 1355 CA LEU A 589 4.453 4.180 0.611 1.00 24.30 C ATOM 1356 C LEU A 589 3.829 3.235 -0.386 1.00 32.14 C ATOM 1357 O LEU A 589 2.663 3.400 -0.761 1.00 44.40 O ATOM 1358 CB LEU A 589 3.731 4.074 1.973 1.00 43.52 C ATOM 1359 CG LEU A 589 4.225 3.001 2.974 1.00 32.24 C ATOM 1360 CD1 LEU A 589 4.182 1.587 2.414 1.00 31.44 C ATOM 1361 CD2 LEU A 589 5.603 3.347 3.465 1.00 2.31 C ATOM 0 H LEU A 589 3.342 5.855 0.098 1.00 14.22 H new ATOM 0 HA LEU A 589 5.503 3.949 0.792 1.00 24.30 H new ATOM 0 HB2 LEU A 589 3.798 5.045 2.464 1.00 43.52 H new ATOM 0 HB3 LEU A 589 2.675 3.888 1.778 1.00 43.52 H new ATOM 0 HG LEU A 589 3.530 3.009 3.814 1.00 32.24 H new ATOM 0 HD11 LEU A 589 4.541 0.886 3.167 1.00 31.44 H new ATOM 0 HD12 LEU A 589 3.157 1.334 2.143 1.00 31.44 H new ATOM 0 HD13 LEU A 589 4.817 1.526 1.530 1.00 31.44 H new ATOM 0 HD21 LEU A 589 5.940 2.586 4.168 1.00 2.31 H new ATOM 0 HD22 LEU A 589 6.290 3.390 2.620 1.00 2.31 H new ATOM 0 HD23 LEU A 589 5.579 4.316 3.963 1.00 2.31 H new ATOM 1373 N GLU A 590 4.578 2.300 -0.851 1.00 41.13 N ATOM 1374 CA GLU A 590 4.067 1.366 -1.799 1.00 1.21 C ATOM 1375 C GLU A 590 4.398 -0.032 -1.359 1.00 73.33 C ATOM 1376 O GLU A 590 5.515 -0.300 -0.892 1.00 31.21 O ATOM 1377 CB GLU A 590 4.649 1.636 -3.189 1.00 44.03 C ATOM 1378 CG GLU A 590 4.106 0.732 -4.285 1.00 31.20 C ATOM 1379 CD GLU A 590 4.819 0.926 -5.589 1.00 63.34 C ATOM 1380 OE1 GLU A 590 5.884 0.297 -5.800 1.00 1.11 O ATOM 1381 OE2 GLU A 590 4.359 1.727 -6.424 1.00 1.00 O ATOM 0 H GLU A 590 5.554 2.158 -0.591 1.00 41.13 H new ATOM 0 HA GLU A 590 2.984 1.478 -1.855 1.00 1.21 H new ATOM 0 HB2 GLU A 590 4.449 2.673 -3.458 1.00 44.03 H new ATOM 0 HB3 GLU A 590 5.732 1.522 -3.144 1.00 44.03 H new ATOM 0 HG2 GLU A 590 4.199 -0.308 -3.974 1.00 31.20 H new ATOM 0 HG3 GLU A 590 3.043 0.930 -4.422 1.00 31.20 H new ATOM 1388 N ILE A 591 3.424 -0.890 -1.456 1.00 71.44 N ATOM 1389 CA ILE A 591 3.607 -2.285 -1.212 1.00 32.41 C ATOM 1390 C ILE A 591 3.810 -2.943 -2.560 1.00 22.41 C ATOM 1391 O ILE A 591 3.197 -2.525 -3.548 1.00 51.14 O ATOM 1392 CB ILE A 591 2.410 -2.927 -0.440 1.00 21.21 C ATOM 1393 CG1 ILE A 591 1.066 -2.657 -1.139 1.00 4.40 C ATOM 1394 CG2 ILE A 591 2.380 -2.447 1.010 1.00 13.42 C ATOM 1395 CD1 ILE A 591 -0.133 -3.248 -0.423 1.00 4.32 C ATOM 0 H ILE A 591 2.470 -0.634 -1.710 1.00 71.44 H new ATOM 0 HA ILE A 591 4.472 -2.434 -0.566 1.00 32.41 H new ATOM 0 HB ILE A 591 2.562 -4.006 -0.441 1.00 21.21 H new ATOM 0 HG12 ILE A 591 0.926 -1.580 -1.231 1.00 4.40 H new ATOM 0 HG13 ILE A 591 1.107 -3.061 -2.151 1.00 4.40 H new ATOM 0 HG21 ILE A 591 1.538 -2.907 1.528 1.00 13.42 H new ATOM 0 HG22 ILE A 591 3.309 -2.728 1.506 1.00 13.42 H new ATOM 0 HG23 ILE A 591 2.271 -1.363 1.032 1.00 13.42 H new ATOM 0 HD11 ILE A 591 -1.041 -3.014 -0.979 1.00 4.32 H new ATOM 0 HD12 ILE A 591 -0.019 -4.330 -0.354 1.00 4.32 H new ATOM 0 HD13 ILE A 591 -0.202 -2.826 0.580 1.00 4.32 H new ATOM 1407 N GLY A 592 4.689 -3.892 -2.619 1.00 44.43 N ATOM 1408 CA GLY A 592 5.017 -4.506 -3.872 1.00 24.33 C ATOM 1409 C GLY A 592 4.252 -5.774 -4.123 1.00 5.11 C ATOM 1410 O GLY A 592 3.037 -5.838 -3.909 1.00 14.14 O ATOM 0 H GLY A 592 5.195 -4.261 -1.814 1.00 44.43 H new ATOM 0 HA2 GLY A 592 4.816 -3.801 -4.679 1.00 24.33 H new ATOM 0 HA3 GLY A 592 6.085 -4.722 -3.896 1.00 24.33 H new ATOM 1414 N GLU A 593 4.963 -6.775 -4.559 1.00 22.31 N ATOM 1415 CA GLU A 593 4.395 -8.048 -4.893 1.00 54.41 C ATOM 1416 C GLU A 593 4.274 -8.921 -3.658 1.00 53.21 C ATOM 1417 O GLU A 593 5.286 -9.278 -3.049 1.00 44.54 O ATOM 1418 CB GLU A 593 5.282 -8.768 -5.896 1.00 63.02 C ATOM 1419 CG GLU A 593 4.818 -10.173 -6.208 1.00 20.54 C ATOM 1420 CD GLU A 593 5.915 -11.001 -6.773 1.00 54.45 C ATOM 1421 OE1 GLU A 593 6.724 -11.538 -6.005 1.00 2.51 O ATOM 1422 OE2 GLU A 593 6.021 -11.108 -7.988 1.00 33.24 O ATOM 0 H GLU A 593 5.973 -6.727 -4.694 1.00 22.31 H new ATOM 0 HA GLU A 593 3.407 -7.871 -5.318 1.00 54.41 H new ATOM 0 HB2 GLU A 593 5.316 -8.191 -6.820 1.00 63.02 H new ATOM 0 HB3 GLU A 593 6.300 -8.807 -5.507 1.00 63.02 H new ATOM 0 HG2 GLU A 593 4.439 -10.641 -5.300 1.00 20.54 H new ATOM 0 HG3 GLU A 593 3.990 -10.134 -6.916 1.00 20.54 H new ATOM 1429 N PRO A 594 3.060 -9.271 -3.262 1.00 14.03 N ATOM 1430 CA PRO A 594 2.866 -10.195 -2.187 1.00 61.23 C ATOM 1431 C PRO A 594 3.172 -11.611 -2.674 1.00 53.24 C ATOM 1432 O PRO A 594 2.793 -12.002 -3.771 1.00 74.51 O ATOM 1433 CB PRO A 594 1.396 -10.032 -1.826 1.00 54.23 C ATOM 1434 CG PRO A 594 0.749 -9.574 -3.073 1.00 24.14 C ATOM 1435 CD PRO A 594 1.786 -8.805 -3.841 1.00 3.51 C ATOM 0 HA PRO A 594 3.514 -10.016 -1.329 1.00 61.23 H new ATOM 0 HB2 PRO A 594 0.967 -10.973 -1.480 1.00 54.23 H new ATOM 0 HB3 PRO A 594 1.264 -9.307 -1.023 1.00 54.23 H new ATOM 0 HG2 PRO A 594 0.386 -10.422 -3.655 1.00 24.14 H new ATOM 0 HG3 PRO A 594 -0.114 -8.946 -2.853 1.00 24.14 H new ATOM 0 HD2 PRO A 594 1.731 -9.014 -4.909 1.00 3.51 H new ATOM 0 HD3 PRO A 594 1.660 -7.729 -3.719 1.00 3.51 H new ATOM 1443 N ARG A 595 3.855 -12.361 -1.885 1.00 64.42 N ATOM 1444 CA ARG A 595 4.267 -13.672 -2.294 1.00 20.43 C ATOM 1445 C ARG A 595 3.919 -14.710 -1.258 1.00 43.44 C ATOM 1446 O ARG A 595 4.056 -14.472 -0.050 1.00 14.43 O ATOM 1447 CB ARG A 595 5.749 -13.669 -2.669 1.00 61.31 C ATOM 1448 CG ARG A 595 6.654 -13.001 -1.649 1.00 55.21 C ATOM 1449 CD ARG A 595 8.073 -12.865 -2.174 1.00 54.43 C ATOM 1450 NE ARG A 595 8.120 -12.090 -3.436 1.00 13.35 N ATOM 1451 CZ ARG A 595 9.189 -11.453 -3.923 1.00 74.52 C ATOM 1452 NH1 ARG A 595 10.364 -11.550 -3.323 1.00 11.25 N ATOM 1453 NH2 ARG A 595 9.080 -10.784 -5.045 1.00 64.14 N ATOM 0 H ARG A 595 4.146 -12.094 -0.944 1.00 64.42 H new ATOM 0 HA ARG A 595 3.712 -13.952 -3.189 1.00 20.43 H new ATOM 0 HB2 ARG A 595 6.078 -14.699 -2.809 1.00 61.31 H new ATOM 0 HB3 ARG A 595 5.867 -13.164 -3.628 1.00 61.31 H new ATOM 0 HG2 ARG A 595 6.260 -12.015 -1.401 1.00 55.21 H new ATOM 0 HG3 ARG A 595 6.659 -13.584 -0.728 1.00 55.21 H new ATOM 0 HD2 ARG A 595 8.693 -12.375 -1.423 1.00 54.43 H new ATOM 0 HD3 ARG A 595 8.496 -13.856 -2.340 1.00 54.43 H new ATOM 0 HE ARG A 595 7.260 -12.038 -3.982 1.00 13.35 H new ATOM 0 HH11 ARG A 595 10.461 -12.115 -2.480 1.00 11.25 H new ATOM 0 HH12 ARG A 595 11.173 -11.059 -3.704 1.00 11.25 H new ATOM 0 HH21 ARG A 595 8.186 -10.754 -5.536 1.00 64.14 H new ATOM 0 HH22 ARG A 595 9.889 -10.294 -5.427 1.00 64.14 H new ATOM 1467 N LEU A 596 3.435 -15.838 -1.730 1.00 62.25 N ATOM 1468 CA LEU A 596 2.981 -16.907 -0.872 1.00 64.30 C ATOM 1469 C LEU A 596 4.206 -17.632 -0.341 1.00 41.22 C ATOM 1470 O LEU A 596 5.052 -18.066 -1.115 1.00 50.44 O ATOM 1471 CB LEU A 596 2.120 -17.903 -1.675 1.00 42.10 C ATOM 1472 CG LEU A 596 0.813 -18.430 -1.030 1.00 15.50 C ATOM 1473 CD1 LEU A 596 0.959 -18.729 0.448 1.00 22.12 C ATOM 1474 CD2 LEU A 596 -0.359 -17.503 -1.305 1.00 62.33 C ATOM 0 H LEU A 596 3.345 -16.039 -2.726 1.00 62.25 H new ATOM 0 HA LEU A 596 2.382 -16.500 -0.057 1.00 64.30 H new ATOM 0 HB2 LEU A 596 1.856 -17.428 -2.620 1.00 42.10 H new ATOM 0 HB3 LEU A 596 2.744 -18.764 -1.914 1.00 42.10 H new ATOM 0 HG LEU A 596 0.599 -19.385 -1.510 1.00 15.50 H new ATOM 0 HD11 LEU A 596 0.010 -19.094 0.841 1.00 22.12 H new ATOM 0 HD12 LEU A 596 1.727 -19.489 0.591 1.00 22.12 H new ATOM 0 HD13 LEU A 596 1.245 -17.820 0.977 1.00 22.12 H new ATOM 0 HD21 LEU A 596 -1.258 -17.905 -0.838 1.00 62.33 H new ATOM 0 HD22 LEU A 596 -0.146 -16.516 -0.894 1.00 62.33 H new ATOM 0 HD23 LEU A 596 -0.515 -17.422 -2.381 1.00 62.33 H new ATOM 1486 N VAL A 597 4.310 -17.734 0.949 1.00 43.04 N ATOM 1487 CA VAL A 597 5.440 -18.397 1.575 1.00 32.20 C ATOM 1488 C VAL A 597 5.169 -19.886 1.671 1.00 61.14 C ATOM 1489 O VAL A 597 6.015 -20.716 1.323 1.00 34.35 O ATOM 1490 CB VAL A 597 5.698 -17.865 3.003 1.00 22.24 C ATOM 1491 CG1 VAL A 597 6.985 -18.435 3.581 1.00 45.13 C ATOM 1492 CG2 VAL A 597 5.717 -16.356 3.028 1.00 60.24 C ATOM 0 H VAL A 597 3.622 -17.365 1.606 1.00 43.04 H new ATOM 0 HA VAL A 597 6.316 -18.196 0.958 1.00 32.20 H new ATOM 0 HB VAL A 597 4.873 -18.200 3.632 1.00 22.24 H new ATOM 0 HG11 VAL A 597 7.138 -18.042 4.586 1.00 45.13 H new ATOM 0 HG12 VAL A 597 6.915 -19.522 3.624 1.00 45.13 H new ATOM 0 HG13 VAL A 597 7.826 -18.150 2.948 1.00 45.13 H new ATOM 0 HG21 VAL A 597 5.900 -16.011 4.046 1.00 60.24 H new ATOM 0 HG22 VAL A 597 6.508 -15.991 2.373 1.00 60.24 H new ATOM 0 HG23 VAL A 597 4.756 -15.974 2.683 1.00 60.24 H new ATOM 2055 N ARG A 633 -0.156 -16.622 -7.460 1.00 62.10 N ATOM 2056 CA ARG A 633 0.559 -15.537 -6.845 1.00 32.05 C ATOM 2057 C ARG A 633 -0.449 -14.585 -6.289 1.00 30.43 C ATOM 2058 O ARG A 633 -1.357 -14.192 -7.006 1.00 74.11 O ATOM 2059 CB ARG A 633 1.339 -14.761 -7.898 1.00 54.55 C ATOM 2060 CG ARG A 633 2.314 -15.571 -8.695 1.00 23.43 C ATOM 2061 CD ARG A 633 2.768 -14.790 -9.907 1.00 75.00 C ATOM 2062 NE ARG A 633 3.607 -13.608 -9.596 1.00 2.45 N ATOM 2063 CZ ARG A 633 4.072 -12.756 -10.536 1.00 13.14 C ATOM 2064 NH1 ARG A 633 3.616 -12.841 -11.769 1.00 42.24 N ATOM 2065 NH2 ARG A 633 4.947 -11.807 -10.238 1.00 62.20 N ATOM 0 HA ARG A 633 1.231 -15.936 -6.085 1.00 32.05 H new ATOM 0 HB2 ARG A 633 0.630 -14.297 -8.584 1.00 54.55 H new ATOM 0 HB3 ARG A 633 1.880 -13.953 -7.405 1.00 54.55 H new ATOM 0 HG2 ARG A 633 3.174 -15.831 -8.077 1.00 23.43 H new ATOM 0 HG3 ARG A 633 1.851 -16.507 -9.008 1.00 23.43 H new ATOM 0 HD2 ARG A 633 3.329 -15.455 -10.564 1.00 75.00 H new ATOM 0 HD3 ARG A 633 1.889 -14.461 -10.462 1.00 75.00 H new ATOM 0 HE ARG A 633 3.846 -13.428 -8.621 1.00 2.45 H new ATOM 0 HH11 ARG A 633 2.918 -13.546 -12.007 1.00 42.24 H new ATOM 0 HH12 ARG A 633 3.961 -12.202 -12.486 1.00 42.24 H new ATOM 0 HH21 ARG A 633 5.285 -11.707 -9.281 1.00 62.20 H new ATOM 0 HH22 ARG A 633 5.283 -11.176 -10.966 1.00 62.20 H new ATOM 2079 N PRO A 634 -0.365 -14.232 -5.020 1.00 0.22 N ATOM 2080 CA PRO A 634 -1.197 -13.182 -4.500 1.00 11.13 C ATOM 2081 C PRO A 634 -0.785 -11.876 -5.164 1.00 22.22 C ATOM 2082 O PRO A 634 0.397 -11.655 -5.425 1.00 71.24 O ATOM 2083 CB PRO A 634 -0.917 -13.170 -3.000 1.00 64.30 C ATOM 2084 CG PRO A 634 0.343 -13.949 -2.808 1.00 41.41 C ATOM 2085 CD PRO A 634 0.528 -14.817 -4.017 1.00 32.11 C ATOM 0 HA PRO A 634 -2.261 -13.321 -4.690 1.00 11.13 H new ATOM 0 HB2 PRO A 634 -0.804 -12.150 -2.633 1.00 64.30 H new ATOM 0 HB3 PRO A 634 -1.741 -13.619 -2.446 1.00 64.30 H new ATOM 0 HG2 PRO A 634 1.193 -13.278 -2.685 1.00 41.41 H new ATOM 0 HG3 PRO A 634 0.283 -14.557 -1.905 1.00 41.41 H new ATOM 0 HD2 PRO A 634 1.564 -14.813 -4.355 1.00 32.11 H new ATOM 0 HD3 PRO A 634 0.266 -15.854 -3.807 1.00 32.11 H new ATOM 2093 N ILE A 635 -1.722 -11.038 -5.466 1.00 71.23 N ATOM 2094 CA ILE A 635 -1.408 -9.862 -6.208 1.00 23.22 C ATOM 2095 C ILE A 635 -1.803 -8.580 -5.510 1.00 2.40 C ATOM 2096 O ILE A 635 -2.379 -8.586 -4.406 1.00 73.23 O ATOM 2097 CB ILE A 635 -1.915 -9.926 -7.692 1.00 5.13 C ATOM 2098 CG1 ILE A 635 -3.364 -10.474 -7.823 1.00 45.14 C ATOM 2099 CG2 ILE A 635 -0.959 -10.735 -8.557 1.00 35.43 C ATOM 2100 CD1 ILE A 635 -4.457 -9.568 -7.297 1.00 12.43 C ATOM 0 H ILE A 635 -2.704 -11.144 -5.213 1.00 71.23 H new ATOM 0 HA ILE A 635 -0.319 -9.838 -6.257 1.00 23.22 H new ATOM 0 HB ILE A 635 -1.938 -8.897 -8.050 1.00 5.13 H new ATOM 0 HG12 ILE A 635 -3.562 -10.679 -8.875 1.00 45.14 H new ATOM 0 HG13 ILE A 635 -3.422 -11.427 -7.296 1.00 45.14 H new ATOM 0 HG21 ILE A 635 -1.332 -10.765 -9.581 1.00 35.43 H new ATOM 0 HG22 ILE A 635 0.027 -10.270 -8.543 1.00 35.43 H new ATOM 0 HG23 ILE A 635 -0.886 -11.750 -8.167 1.00 35.43 H new ATOM 0 HD11 ILE A 635 -5.426 -10.047 -7.438 1.00 12.43 H new ATOM 0 HD12 ILE A 635 -4.295 -9.381 -6.235 1.00 12.43 H new ATOM 0 HD13 ILE A 635 -4.438 -8.622 -7.839 1.00 12.43 H new ATOM 2112 N LEU A 636 -1.460 -7.494 -6.129 1.00 40.43 N ATOM 2113 CA LEU A 636 -1.744 -6.201 -5.601 1.00 50.31 C ATOM 2114 C LEU A 636 -3.190 -5.854 -5.925 1.00 64.51 C ATOM 2115 O LEU A 636 -3.754 -6.369 -6.896 1.00 22.31 O ATOM 2116 CB LEU A 636 -0.698 -5.137 -6.110 1.00 60.45 C ATOM 2117 CG LEU A 636 -0.715 -4.639 -7.591 1.00 1.53 C ATOM 2118 CD1 LEU A 636 -0.938 -5.740 -8.606 1.00 73.22 C ATOM 2119 CD2 LEU A 636 -1.672 -3.482 -7.790 1.00 63.24 C ATOM 0 H LEU A 636 -0.970 -7.482 -7.024 1.00 40.43 H new ATOM 0 HA LEU A 636 -1.639 -6.196 -4.516 1.00 50.31 H new ATOM 0 HB2 LEU A 636 -0.803 -4.257 -5.476 1.00 60.45 H new ATOM 0 HB3 LEU A 636 0.294 -5.549 -5.923 1.00 60.45 H new ATOM 0 HG LEU A 636 0.292 -4.269 -7.782 1.00 1.53 H new ATOM 0 HD11 LEU A 636 -0.937 -5.315 -9.610 1.00 73.22 H new ATOM 0 HD12 LEU A 636 -0.140 -6.478 -8.523 1.00 73.22 H new ATOM 0 HD13 LEU A 636 -1.898 -6.221 -8.417 1.00 73.22 H new ATOM 0 HD21 LEU A 636 -1.651 -3.168 -8.834 1.00 63.24 H new ATOM 0 HD22 LEU A 636 -2.682 -3.795 -7.525 1.00 63.24 H new ATOM 0 HD23 LEU A 636 -1.372 -2.649 -7.155 1.00 63.24 H new ATOM 2131 N GLY A 637 -3.789 -5.046 -5.113 1.00 12.43 N ATOM 2132 CA GLY A 637 -5.179 -4.716 -5.291 1.00 44.52 C ATOM 2133 C GLY A 637 -5.420 -3.656 -6.333 1.00 54.42 C ATOM 2134 O GLY A 637 -4.830 -3.676 -7.415 1.00 73.21 O ATOM 0 H GLY A 637 -3.342 -4.597 -4.314 1.00 12.43 H new ATOM 0 HA2 GLY A 637 -5.725 -5.618 -5.569 1.00 44.52 H new ATOM 0 HA3 GLY A 637 -5.588 -4.377 -4.339 1.00 44.52 H new ATOM 2138 N GLU A 638 -6.274 -2.726 -6.020 1.00 23.33 N ATOM 2139 CA GLU A 638 -6.609 -1.709 -6.970 1.00 72.45 C ATOM 2140 C GLU A 638 -5.574 -0.602 -6.930 1.00 14.32 C ATOM 2141 O GLU A 638 -4.903 -0.336 -7.919 1.00 40.11 O ATOM 2142 CB GLU A 638 -8.003 -1.163 -6.701 1.00 13.43 C ATOM 2143 CG GLU A 638 -8.529 -0.262 -7.803 1.00 65.25 C ATOM 2144 CD GLU A 638 -8.618 -0.984 -9.131 1.00 43.43 C ATOM 2145 OE1 GLU A 638 -9.599 -1.747 -9.348 1.00 61.21 O ATOM 2146 OE2 GLU A 638 -7.733 -0.789 -9.995 1.00 41.21 O ATOM 0 H GLU A 638 -6.748 -2.651 -5.120 1.00 23.33 H new ATOM 0 HA GLU A 638 -6.609 -2.145 -7.969 1.00 72.45 H new ATOM 0 HB2 GLU A 638 -8.691 -1.998 -6.567 1.00 13.43 H new ATOM 0 HB3 GLU A 638 -7.991 -0.607 -5.764 1.00 13.43 H new ATOM 0 HG2 GLU A 638 -9.515 0.111 -7.526 1.00 65.25 H new ATOM 0 HG3 GLU A 638 -7.877 0.605 -7.905 1.00 65.25 H new ATOM 2153 N HIS A 639 -5.412 -0.002 -5.779 1.00 2.43 N ATOM 2154 CA HIS A 639 -4.487 1.089 -5.640 1.00 33.40 C ATOM 2155 C HIS A 639 -3.494 0.848 -4.526 1.00 14.21 C ATOM 2156 O HIS A 639 -3.773 1.078 -3.339 1.00 3.13 O ATOM 2157 CB HIS A 639 -5.203 2.469 -5.507 1.00 12.02 C ATOM 2158 CG HIS A 639 -6.263 2.565 -4.428 1.00 0.41 C ATOM 2159 ND1 HIS A 639 -6.055 3.104 -3.176 1.00 44.20 N ATOM 2160 CD2 HIS A 639 -7.566 2.206 -4.462 1.00 31.41 C ATOM 2161 CE1 HIS A 639 -7.208 3.060 -2.507 1.00 52.11 C ATOM 2162 NE2 HIS A 639 -8.165 2.521 -3.245 1.00 62.15 N ATOM 0 H HIS A 639 -5.910 -0.252 -4.925 1.00 2.43 H new ATOM 0 HA HIS A 639 -3.917 1.133 -6.568 1.00 33.40 H new ATOM 0 HB2 HIS A 639 -4.448 3.231 -5.316 1.00 12.02 H new ATOM 0 HB3 HIS A 639 -5.664 2.711 -6.465 1.00 12.02 H new ATOM 0 HD2 HIS A 639 -8.065 1.746 -5.302 1.00 31.41 H new ATOM 0 HE1 HIS A 639 -7.343 3.417 -1.497 1.00 52.11 H new ATOM 0 HE2 HIS A 639 -9.138 2.368 -2.978 1.00 62.15 H new ATOM 2170 N THR A 640 -2.364 0.321 -4.884 1.00 31.45 N ATOM 2171 CA THR A 640 -1.327 0.158 -3.947 1.00 54.22 C ATOM 2172 C THR A 640 -0.398 1.340 -4.074 1.00 74.34 C ATOM 2173 O THR A 640 0.540 1.341 -4.877 1.00 70.01 O ATOM 2174 CB THR A 640 -0.590 -1.167 -4.185 1.00 44.05 C ATOM 2175 OG1 THR A 640 -0.289 -1.297 -5.584 1.00 55.21 O ATOM 2176 CG2 THR A 640 -1.459 -2.326 -3.755 1.00 61.21 C ATOM 0 H THR A 640 -2.148 -0.001 -5.827 1.00 31.45 H new ATOM 0 HA THR A 640 -1.729 0.118 -2.934 1.00 54.22 H new ATOM 0 HB THR A 640 0.332 -1.173 -3.603 1.00 44.05 H new ATOM 0 HG1 THR A 640 0.153 -0.482 -5.901 1.00 55.21 H new ATOM 0 HG21 THR A 640 -0.928 -3.262 -3.927 1.00 61.21 H new ATOM 0 HG22 THR A 640 -1.693 -2.231 -2.695 1.00 61.21 H new ATOM 0 HG23 THR A 640 -2.384 -2.321 -4.332 1.00 61.21 H new ATOM 2184 N LYS A 641 -0.691 2.349 -3.303 1.00 52.12 N ATOM 2185 CA LYS A 641 0.004 3.595 -3.346 1.00 51.34 C ATOM 2186 C LYS A 641 -0.520 4.388 -2.189 1.00 71.23 C ATOM 2187 O LYS A 641 -1.723 4.394 -1.940 1.00 51.32 O ATOM 2188 CB LYS A 641 -0.326 4.302 -4.691 1.00 61.35 C ATOM 2189 CG LYS A 641 0.535 5.514 -5.097 1.00 64.10 C ATOM 2190 CD LYS A 641 0.251 6.770 -4.293 1.00 0.33 C ATOM 2191 CE LYS A 641 0.997 7.973 -4.873 1.00 60.23 C ATOM 2192 NZ LYS A 641 0.578 8.286 -6.264 1.00 5.44 N ATOM 0 H LYS A 641 -1.440 2.322 -2.611 1.00 52.12 H new ATOM 0 HA LYS A 641 1.086 3.480 -3.282 1.00 51.34 H new ATOM 0 HB2 LYS A 641 -0.255 3.559 -5.486 1.00 61.35 H new ATOM 0 HB3 LYS A 641 -1.365 4.628 -4.652 1.00 61.35 H new ATOM 0 HG2 LYS A 641 1.587 5.253 -4.985 1.00 64.10 H new ATOM 0 HG3 LYS A 641 0.370 5.726 -6.153 1.00 64.10 H new ATOM 0 HD2 LYS A 641 -0.821 6.969 -4.290 1.00 0.33 H new ATOM 0 HD3 LYS A 641 0.550 6.618 -3.256 1.00 0.33 H new ATOM 0 HE2 LYS A 641 0.824 8.843 -4.240 1.00 60.23 H new ATOM 0 HE3 LYS A 641 2.069 7.775 -4.856 1.00 60.23 H new ATOM 0 HZ1 LYS A 641 0.866 9.256 -6.503 1.00 5.44 H new ATOM 0 HZ2 LYS A 641 1.030 7.619 -6.921 1.00 5.44 H new ATOM 0 HZ3 LYS A 641 -0.456 8.203 -6.342 1.00 5.44 H new ATOM 2206 N LEU A 642 0.352 4.984 -1.472 1.00 54.11 N ATOM 2207 CA LEU A 642 -0.008 5.806 -0.374 1.00 3.03 C ATOM 2208 C LEU A 642 0.802 7.060 -0.450 1.00 12.31 C ATOM 2209 O LEU A 642 2.013 7.041 -0.234 1.00 11.10 O ATOM 2210 CB LEU A 642 0.276 5.102 0.934 1.00 25.32 C ATOM 2211 CG LEU A 642 -0.008 5.909 2.190 1.00 43.31 C ATOM 2212 CD1 LEU A 642 -1.497 6.093 2.423 1.00 13.23 C ATOM 2213 CD2 LEU A 642 0.661 5.293 3.381 1.00 72.43 C ATOM 0 H LEU A 642 1.357 4.916 -1.631 1.00 54.11 H new ATOM 0 HA LEU A 642 -1.074 6.030 -0.417 1.00 3.03 H new ATOM 0 HB2 LEU A 642 -0.316 4.188 0.970 1.00 25.32 H new ATOM 0 HB3 LEU A 642 1.324 4.803 0.945 1.00 25.32 H new ATOM 0 HG LEU A 642 0.413 6.904 2.042 1.00 43.31 H new ATOM 0 HD11 LEU A 642 -1.654 6.675 3.331 1.00 13.23 H new ATOM 0 HD12 LEU A 642 -1.936 6.618 1.575 1.00 13.23 H new ATOM 0 HD13 LEU A 642 -1.972 5.118 2.531 1.00 13.23 H new ATOM 0 HD21 LEU A 642 0.444 5.888 4.268 1.00 72.43 H new ATOM 0 HD22 LEU A 642 0.288 4.279 3.524 1.00 72.43 H new ATOM 0 HD23 LEU A 642 1.738 5.264 3.219 1.00 72.43 H new ATOM 2225 N GLU A 643 0.172 8.107 -0.821 1.00 14.01 N ATOM 2226 CA GLU A 643 0.801 9.371 -0.910 1.00 71.33 C ATOM 2227 C GLU A 643 0.691 10.007 0.450 1.00 32.24 C ATOM 2228 O GLU A 643 -0.399 10.396 0.879 1.00 64.53 O ATOM 2229 CB GLU A 643 0.088 10.213 -1.952 1.00 43.14 C ATOM 2230 CG GLU A 643 0.870 11.403 -2.443 1.00 53.11 C ATOM 2231 CD GLU A 643 0.143 12.134 -3.533 1.00 31.03 C ATOM 2232 OE1 GLU A 643 -0.051 11.557 -4.621 1.00 33.14 O ATOM 2233 OE2 GLU A 643 -0.256 13.298 -3.336 1.00 74.31 O ATOM 0 H GLU A 643 -0.815 8.113 -1.077 1.00 14.01 H new ATOM 0 HA GLU A 643 1.846 9.282 -1.206 1.00 71.33 H new ATOM 0 HB2 GLU A 643 -0.158 9.580 -2.805 1.00 43.14 H new ATOM 0 HB3 GLU A 643 -0.855 10.563 -1.533 1.00 43.14 H new ATOM 0 HG2 GLU A 643 1.058 12.083 -1.612 1.00 53.11 H new ATOM 0 HG3 GLU A 643 1.841 11.073 -2.811 1.00 53.11 H new ATOM 2240 N VAL A 644 1.766 10.013 1.168 1.00 1.22 N ATOM 2241 CA VAL A 644 1.766 10.590 2.461 1.00 73.33 C ATOM 2242 C VAL A 644 2.227 12.003 2.345 1.00 44.03 C ATOM 2243 O VAL A 644 3.404 12.248 2.080 1.00 25.54 O ATOM 2244 CB VAL A 644 2.716 9.846 3.406 1.00 33.22 C ATOM 2245 CG1 VAL A 644 2.610 10.403 4.810 1.00 71.50 C ATOM 2246 CG2 VAL A 644 2.445 8.354 3.377 1.00 4.54 C ATOM 0 H VAL A 644 2.660 9.620 0.873 1.00 1.22 H new ATOM 0 HA VAL A 644 0.757 10.530 2.868 1.00 73.33 H new ATOM 0 HB VAL A 644 3.739 10.000 3.063 1.00 33.22 H new ATOM 0 HG11 VAL A 644 3.291 9.863 5.468 1.00 71.50 H new ATOM 0 HG12 VAL A 644 2.874 11.460 4.803 1.00 71.50 H new ATOM 0 HG13 VAL A 644 1.588 10.287 5.171 1.00 71.50 H new ATOM 0 HG21 VAL A 644 3.131 7.846 4.055 1.00 4.54 H new ATOM 0 HG22 VAL A 644 1.418 8.165 3.690 1.00 4.54 H new ATOM 0 HG23 VAL A 644 2.591 7.977 2.365 1.00 4.54 H new ATOM 2256 N ILE A 645 1.327 12.920 2.467 1.00 23.31 N ATOM 2257 CA ILE A 645 1.684 14.299 2.443 1.00 70.25 C ATOM 2258 C ILE A 645 1.883 14.716 3.872 1.00 72.34 C ATOM 2259 O ILE A 645 1.030 14.465 4.731 1.00 25.25 O ATOM 2260 CB ILE A 645 0.625 15.231 1.753 1.00 44.01 C ATOM 2261 CG1 ILE A 645 0.391 14.865 0.274 1.00 44.21 C ATOM 2262 CG2 ILE A 645 1.029 16.696 1.866 1.00 10.15 C ATOM 2263 CD1 ILE A 645 -0.474 13.650 0.054 1.00 20.01 C ATOM 0 H ILE A 645 0.330 12.737 2.585 1.00 23.31 H new ATOM 0 HA ILE A 645 2.586 14.409 1.841 1.00 70.25 H new ATOM 0 HB ILE A 645 -0.314 15.076 2.285 1.00 44.01 H new ATOM 0 HG12 ILE A 645 -0.068 15.716 -0.228 1.00 44.21 H new ATOM 0 HG13 ILE A 645 1.357 14.697 -0.202 1.00 44.21 H new ATOM 0 HG21 ILE A 645 0.278 17.319 1.380 1.00 10.15 H new ATOM 0 HG22 ILE A 645 1.104 16.973 2.918 1.00 10.15 H new ATOM 0 HG23 ILE A 645 1.994 16.846 1.381 1.00 10.15 H new ATOM 0 HD11 ILE A 645 -0.583 13.470 -1.015 1.00 20.01 H new ATOM 0 HD12 ILE A 645 -0.009 12.783 0.523 1.00 20.01 H new ATOM 0 HD13 ILE A 645 -1.456 13.818 0.495 1.00 20.01 H new ATOM 2275 N ILE A 646 3.003 15.283 4.143 1.00 45.02 N ATOM 2276 CA ILE A 646 3.324 15.669 5.469 1.00 0.53 C ATOM 2277 C ILE A 646 3.036 17.123 5.570 1.00 33.45 C ATOM 2278 O ILE A 646 3.510 17.925 4.749 1.00 15.44 O ATOM 2279 CB ILE A 646 4.823 15.369 5.867 1.00 14.44 C ATOM 2280 CG1 ILE A 646 5.192 13.892 5.639 1.00 50.43 C ATOM 2281 CG2 ILE A 646 5.084 15.712 7.333 1.00 64.04 C ATOM 2282 CD1 ILE A 646 5.308 13.474 4.193 1.00 2.21 C ATOM 0 H ILE A 646 3.723 15.493 3.452 1.00 45.02 H new ATOM 0 HA ILE A 646 2.725 15.084 6.166 1.00 0.53 H new ATOM 0 HB ILE A 646 5.442 15.995 5.224 1.00 14.44 H new ATOM 0 HG12 ILE A 646 6.141 13.690 6.136 1.00 50.43 H new ATOM 0 HG13 ILE A 646 4.440 13.268 6.122 1.00 50.43 H new ATOM 0 HG21 ILE A 646 6.124 15.495 7.578 1.00 64.04 H new ATOM 0 HG22 ILE A 646 4.885 16.771 7.500 1.00 64.04 H new ATOM 0 HG23 ILE A 646 4.430 15.115 7.968 1.00 64.04 H new ATOM 0 HD11 ILE A 646 5.571 12.418 4.140 1.00 2.21 H new ATOM 0 HD12 ILE A 646 4.355 13.637 3.690 1.00 2.21 H new ATOM 0 HD13 ILE A 646 6.082 14.066 3.704 1.00 2.21 H new ATOM 2294 N GLU A 647 2.232 17.459 6.489 1.00 44.22 N ATOM 2295 CA GLU A 647 1.853 18.797 6.674 1.00 63.23 C ATOM 2296 C GLU A 647 2.475 19.323 7.924 1.00 13.21 C ATOM 2297 O GLU A 647 2.816 18.547 8.826 1.00 45.02 O ATOM 2298 CB GLU A 647 0.324 18.937 6.579 1.00 13.00 C ATOM 2299 CG GLU A 647 -0.482 17.933 7.394 1.00 22.33 C ATOM 2300 CD GLU A 647 -0.709 18.365 8.810 1.00 1.43 C ATOM 2301 OE1 GLU A 647 -1.622 19.162 9.031 1.00 15.11 O ATOM 2302 OE2 GLU A 647 -0.017 17.904 9.722 1.00 45.13 O ATOM 0 H GLU A 647 1.809 16.804 7.147 1.00 44.22 H new ATOM 0 HA GLU A 647 2.234 19.431 5.874 1.00 63.23 H new ATOM 0 HB2 GLU A 647 0.049 19.942 6.899 1.00 13.00 H new ATOM 0 HB3 GLU A 647 0.033 18.845 5.533 1.00 13.00 H new ATOM 0 HG2 GLU A 647 -1.446 17.774 6.911 1.00 22.33 H new ATOM 0 HG3 GLU A 647 0.037 16.974 7.393 1.00 22.33 H new ATOM 2309 N GLU A 648 2.704 20.606 7.978 1.00 60.05 N ATOM 2310 CA GLU A 648 3.367 21.151 9.117 1.00 70.10 C ATOM 2311 C GLU A 648 2.382 21.412 10.239 1.00 33.42 C ATOM 2312 O GLU A 648 1.971 22.550 10.509 1.00 42.23 O ATOM 2313 CB GLU A 648 4.298 22.323 8.764 1.00 21.54 C ATOM 2314 CG GLU A 648 5.269 21.935 7.646 1.00 55.24 C ATOM 2315 CD GLU A 648 6.460 22.850 7.464 1.00 32.14 C ATOM 2316 OE1 GLU A 648 6.296 23.990 7.021 1.00 10.24 O ATOM 2317 OE2 GLU A 648 7.623 22.383 7.726 1.00 21.45 O ATOM 0 H GLU A 648 2.444 21.279 7.257 1.00 60.05 H new ATOM 0 HA GLU A 648 4.057 20.403 9.507 1.00 70.10 H new ATOM 0 HB2 GLU A 648 3.704 23.183 8.453 1.00 21.54 H new ATOM 0 HB3 GLU A 648 4.858 22.626 9.648 1.00 21.54 H new ATOM 0 HG2 GLU A 648 5.635 20.927 7.841 1.00 55.24 H new ATOM 0 HG3 GLU A 648 4.717 21.897 6.707 1.00 55.24 H new ATOM 2324 N SER A 649 2.021 20.288 10.836 1.00 74.41 N ATOM 2325 CA SER A 649 1.065 20.090 11.902 1.00 45.51 C ATOM 2326 C SER A 649 -0.103 21.078 11.925 1.00 50.23 C ATOM 2327 O SER A 649 -0.080 22.093 12.623 1.00 71.25 O ATOM 2328 CB SER A 649 1.797 20.050 13.231 1.00 15.43 C ATOM 2329 OG SER A 649 2.852 19.081 13.186 1.00 11.51 O ATOM 0 H SER A 649 2.437 19.401 10.552 1.00 74.41 H new ATOM 0 HA SER A 649 0.583 19.132 11.708 1.00 45.51 H new ATOM 0 HB2 SER A 649 2.207 21.034 13.459 1.00 15.43 H new ATOM 0 HB3 SER A 649 1.100 19.802 14.031 1.00 15.43 H new ATOM 0 HG SER A 649 2.468 18.180 13.159 1.00 11.51 H new