USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 782 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 539 TYR OH : rot -9:sc= 0.394 USER MOD Set 1.2: A 556 THR OG1 : rot 180:sc= 0.371 USER MOD Set 2.1: A 541 THR OG1 : rot 170:sc= 0.0294 USER MOD Set 2.2: A 557 CYS SG : rot 82:sc= 1.18 USER MOD Set 3.1: A 506 THR OG1 : rot 30:sc= 0.13 USER MOD Set 3.2: A 639 THR OG1 : rot -66:sc= 0.612! USER MOD Single : A 512 THR OG1 : rot 180:sc= 0 USER MOD Single : A 513 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot -77:sc= 1.21 USER MOD Single : A 521 MET CE :methyl -130:sc= -0.306 (180deg=-2.07) USER MOD Single : A 524 LYS NZ :NH3+ 163:sc= -0.0288 (180deg=-0.299) USER MOD Single : A 528 THR OG1 : rot 180:sc= 0 USER MOD Single : A 529 SER OG : rot 170:sc= -0.215 USER MOD Single : A 534 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.5!) USER MOD Single : A 540 LYS NZ :NH3+ -168:sc= 1.14 (180deg=0.934) USER MOD Single : A 545 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 563 GLN : amide:sc= 0.852 K(o=0.85,f=-0.99) USER MOD Single : A 564 ASN : amide:sc= 0.622 K(o=0.62,f=-4.1!) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 572 THR OG1 : rot 40:sc= 0.11 USER MOD Single : A 585 CYS SG : rot -26:sc= -0.309 USER MOD Single : A 586 SER OG : rot 180:sc= -0.466 USER MOD Single : A 588 SER OG : rot 180:sc= -0.0711 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-3.2!) USER MOD Single : A 640 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 4.058 -2.158 -5.772 1.00 65.50 N ATOM 29 CA GLY A 503 3.702 -2.805 -6.985 1.00 41.25 C ATOM 30 C GLY A 503 2.590 -3.809 -6.857 1.00 14.13 C ATOM 31 O GLY A 503 2.390 -4.412 -5.813 1.00 23.20 O ATOM 0 HA2 GLY A 503 3.408 -2.048 -7.712 1.00 41.25 H new ATOM 0 HA3 GLY A 503 4.583 -3.307 -7.385 1.00 41.25 H new ATOM 35 N ILE A 504 1.793 -3.858 -7.885 1.00 72.24 N ATOM 36 CA ILE A 504 0.826 -4.891 -8.110 1.00 54.21 C ATOM 37 C ILE A 504 1.094 -5.366 -9.506 1.00 43.32 C ATOM 38 O ILE A 504 0.940 -4.595 -10.451 1.00 25.24 O ATOM 39 CB ILE A 504 -0.648 -4.397 -8.005 1.00 53.51 C ATOM 40 CG1 ILE A 504 -1.001 -3.991 -6.571 1.00 22.12 C ATOM 41 CG2 ILE A 504 -1.625 -5.462 -8.520 1.00 34.33 C ATOM 42 CD1 ILE A 504 -2.434 -3.521 -6.405 1.00 72.05 C ATOM 0 H ILE A 504 1.800 -3.150 -8.619 1.00 72.24 H new ATOM 0 HA ILE A 504 0.925 -5.666 -7.350 1.00 54.21 H new ATOM 0 HB ILE A 504 -0.741 -3.513 -8.636 1.00 53.51 H new ATOM 0 HG12 ILE A 504 -0.827 -4.840 -5.909 1.00 22.12 H new ATOM 0 HG13 ILE A 504 -0.328 -3.195 -6.252 1.00 22.12 H new ATOM 0 HG21 ILE A 504 -2.646 -5.090 -8.435 1.00 34.33 H new ATOM 0 HG22 ILE A 504 -1.405 -5.683 -9.564 1.00 34.33 H new ATOM 0 HG23 ILE A 504 -1.519 -6.370 -7.927 1.00 34.33 H new ATOM 0 HD11 ILE A 504 -2.610 -3.251 -5.364 1.00 72.05 H new ATOM 0 HD12 ILE A 504 -2.608 -2.652 -7.040 1.00 72.05 H new ATOM 0 HD13 ILE A 504 -3.115 -4.322 -6.692 1.00 72.05 H new ATOM 54 N PHE A 505 1.526 -6.572 -9.639 1.00 2.03 N ATOM 55 CA PHE A 505 1.886 -7.108 -10.915 1.00 30.14 C ATOM 56 C PHE A 505 0.850 -8.100 -11.356 1.00 33.32 C ATOM 57 O PHE A 505 0.416 -8.945 -10.563 1.00 75.33 O ATOM 58 CB PHE A 505 3.277 -7.739 -10.832 1.00 50.34 C ATOM 59 CG PHE A 505 4.306 -6.765 -10.326 1.00 41.33 C ATOM 60 CD1 PHE A 505 4.857 -5.816 -11.172 1.00 35.15 C ATOM 61 CD2 PHE A 505 4.691 -6.774 -8.994 1.00 2.43 C ATOM 62 CE1 PHE A 505 5.777 -4.901 -10.701 1.00 41.53 C ATOM 63 CE2 PHE A 505 5.606 -5.859 -8.516 1.00 21.13 C ATOM 64 CZ PHE A 505 6.150 -4.920 -9.371 1.00 51.13 C ATOM 0 H PHE A 505 1.642 -7.223 -8.862 1.00 2.03 H new ATOM 0 HA PHE A 505 1.923 -6.312 -11.659 1.00 30.14 H new ATOM 0 HB2 PHE A 505 3.243 -8.606 -10.173 1.00 50.34 H new ATOM 0 HB3 PHE A 505 3.572 -8.099 -11.818 1.00 50.34 H new ATOM 0 HD1 PHE A 505 4.564 -5.792 -12.211 1.00 35.15 H new ATOM 0 HD2 PHE A 505 4.269 -7.507 -8.322 1.00 2.43 H new ATOM 0 HE1 PHE A 505 6.205 -4.171 -11.372 1.00 41.53 H new ATOM 0 HE2 PHE A 505 5.896 -5.877 -7.476 1.00 21.13 H new ATOM 0 HZ PHE A 505 6.866 -4.202 -9.000 1.00 51.13 H new ATOM 74 N THR A 506 0.421 -7.973 -12.574 1.00 23.32 N ATOM 75 CA THR A 506 -0.586 -8.830 -13.107 1.00 4.12 C ATOM 76 C THR A 506 -0.361 -9.034 -14.603 1.00 43.13 C ATOM 77 O THR A 506 0.251 -8.197 -15.269 1.00 42.21 O ATOM 78 CB THR A 506 -2.004 -8.229 -12.841 1.00 43.43 C ATOM 79 OG1 THR A 506 -3.036 -9.109 -13.311 1.00 40.45 O ATOM 80 CG2 THR A 506 -2.168 -6.854 -13.496 1.00 54.12 C ATOM 0 H THR A 506 0.763 -7.268 -13.227 1.00 23.32 H new ATOM 0 HA THR A 506 -0.525 -9.799 -12.611 1.00 4.12 H new ATOM 0 HB THR A 506 -2.099 -8.112 -11.761 1.00 43.43 H new ATOM 0 HG1 THR A 506 -2.724 -10.037 -13.258 1.00 40.45 H new ATOM 0 HG21 THR A 506 -3.166 -6.469 -13.289 1.00 54.12 H new ATOM 0 HG22 THR A 506 -1.423 -6.168 -13.093 1.00 54.12 H new ATOM 0 HG23 THR A 506 -2.031 -6.946 -14.573 1.00 54.12 H new ATOM 88 N PHE A 507 -0.807 -10.154 -15.109 1.00 53.13 N ATOM 89 CA PHE A 507 -0.740 -10.438 -16.528 1.00 74.45 C ATOM 90 C PHE A 507 -1.793 -9.625 -17.270 1.00 40.14 C ATOM 91 O PHE A 507 -2.816 -9.229 -16.676 1.00 61.11 O ATOM 92 CB PHE A 507 -0.972 -11.930 -16.795 1.00 13.54 C ATOM 93 CG PHE A 507 0.080 -12.832 -16.241 1.00 13.43 C ATOM 94 CD1 PHE A 507 1.300 -12.953 -16.867 1.00 33.34 C ATOM 95 CD2 PHE A 507 -0.158 -13.575 -15.107 1.00 52.32 C ATOM 96 CE1 PHE A 507 2.265 -13.798 -16.373 1.00 44.22 C ATOM 97 CE2 PHE A 507 0.798 -14.419 -14.604 1.00 24.52 C ATOM 98 CZ PHE A 507 2.014 -14.533 -15.238 1.00 10.53 C ATOM 0 H PHE A 507 -1.228 -10.898 -14.553 1.00 53.13 H new ATOM 0 HA PHE A 507 0.254 -10.166 -16.884 1.00 74.45 H new ATOM 0 HB2 PHE A 507 -1.936 -12.215 -16.373 1.00 13.54 H new ATOM 0 HB3 PHE A 507 -1.036 -12.087 -17.872 1.00 13.54 H new ATOM 0 HD1 PHE A 507 1.502 -12.377 -17.758 1.00 33.34 H new ATOM 0 HD2 PHE A 507 -1.111 -13.492 -14.606 1.00 52.32 H new ATOM 0 HE1 PHE A 507 3.218 -13.885 -16.875 1.00 44.22 H new ATOM 0 HE2 PHE A 507 0.597 -14.993 -13.712 1.00 24.52 H new ATOM 0 HZ PHE A 507 2.769 -15.198 -14.845 1.00 10.53 H new ATOM 108 N GLU A 508 -1.532 -9.365 -18.551 1.00 33.53 N ATOM 109 CA GLU A 508 -2.450 -8.638 -19.443 1.00 1.24 C ATOM 110 C GLU A 508 -3.847 -9.265 -19.428 1.00 25.40 C ATOM 111 O GLU A 508 -4.854 -8.576 -19.252 1.00 10.10 O ATOM 112 CB GLU A 508 -1.913 -8.678 -20.871 1.00 24.41 C ATOM 113 CG GLU A 508 -0.551 -8.041 -21.055 1.00 42.33 C ATOM 114 CD GLU A 508 -0.045 -8.203 -22.461 1.00 15.25 C ATOM 115 OE1 GLU A 508 -0.579 -7.545 -23.377 1.00 11.51 O ATOM 116 OE2 GLU A 508 0.874 -9.021 -22.693 1.00 34.02 O ATOM 0 H GLU A 508 -0.668 -9.655 -19.009 1.00 33.53 H new ATOM 0 HA GLU A 508 -2.520 -7.609 -19.089 1.00 1.24 H new ATOM 0 HB2 GLU A 508 -1.859 -9.717 -21.195 1.00 24.41 H new ATOM 0 HB3 GLU A 508 -2.625 -8.176 -21.526 1.00 24.41 H new ATOM 0 HG2 GLU A 508 -0.609 -6.981 -20.810 1.00 42.33 H new ATOM 0 HG3 GLU A 508 0.158 -8.491 -20.359 1.00 42.33 H new ATOM 123 N GLU A 509 -3.886 -10.557 -19.609 1.00 54.33 N ATOM 124 CA GLU A 509 -5.110 -11.329 -19.626 1.00 3.52 C ATOM 125 C GLU A 509 -4.883 -12.572 -18.794 1.00 32.13 C ATOM 126 O GLU A 509 -3.739 -12.902 -18.518 1.00 45.32 O ATOM 127 CB GLU A 509 -5.481 -11.738 -21.068 1.00 25.14 C ATOM 128 CG GLU A 509 -5.923 -10.598 -21.962 1.00 44.23 C ATOM 129 CD GLU A 509 -6.276 -11.069 -23.349 1.00 62.45 C ATOM 130 OE1 GLU A 509 -7.397 -11.608 -23.552 1.00 2.31 O ATOM 131 OE2 GLU A 509 -5.443 -10.925 -24.265 1.00 12.41 O ATOM 0 H GLU A 509 -3.049 -11.121 -19.753 1.00 54.33 H new ATOM 0 HA GLU A 509 -5.927 -10.731 -19.223 1.00 3.52 H new ATOM 0 HB2 GLU A 509 -4.619 -12.225 -21.525 1.00 25.14 H new ATOM 0 HB3 GLU A 509 -6.280 -12.478 -21.026 1.00 25.14 H new ATOM 0 HG2 GLU A 509 -6.786 -10.103 -21.517 1.00 44.23 H new ATOM 0 HG3 GLU A 509 -5.127 -9.856 -22.023 1.00 44.23 H new ATOM 138 N PRO A 510 -5.942 -13.257 -18.343 1.00 14.43 N ATOM 139 CA PRO A 510 -5.789 -14.508 -17.611 1.00 15.24 C ATOM 140 C PRO A 510 -5.594 -15.711 -18.556 1.00 64.52 C ATOM 141 O PRO A 510 -5.136 -16.778 -18.136 1.00 1.01 O ATOM 142 CB PRO A 510 -7.105 -14.629 -16.836 1.00 61.43 C ATOM 143 CG PRO A 510 -8.113 -13.899 -17.660 1.00 22.14 C ATOM 144 CD PRO A 510 -7.365 -12.838 -18.430 1.00 54.32 C ATOM 0 HA PRO A 510 -4.908 -14.507 -16.970 1.00 15.24 H new ATOM 0 HB2 PRO A 510 -7.388 -15.673 -16.701 1.00 61.43 H new ATOM 0 HB3 PRO A 510 -7.018 -14.191 -15.841 1.00 61.43 H new ATOM 0 HG2 PRO A 510 -8.623 -14.581 -18.340 1.00 22.14 H new ATOM 0 HG3 PRO A 510 -8.877 -13.449 -17.026 1.00 22.14 H new ATOM 0 HD2 PRO A 510 -7.702 -12.786 -19.465 1.00 54.32 H new ATOM 0 HD3 PRO A 510 -7.516 -11.850 -17.995 1.00 54.32 H new ATOM 152 N VAL A 511 -5.948 -15.527 -19.829 1.00 52.44 N ATOM 153 CA VAL A 511 -5.857 -16.574 -20.848 1.00 13.54 C ATOM 154 C VAL A 511 -5.434 -15.969 -22.178 1.00 5.52 C ATOM 155 O VAL A 511 -6.023 -14.985 -22.625 1.00 65.21 O ATOM 156 CB VAL A 511 -7.227 -17.311 -21.050 1.00 52.12 C ATOM 157 CG1 VAL A 511 -7.158 -18.293 -22.198 1.00 72.50 C ATOM 158 CG2 VAL A 511 -7.628 -18.048 -19.805 1.00 64.23 C ATOM 0 H VAL A 511 -6.308 -14.641 -20.184 1.00 52.44 H new ATOM 0 HA VAL A 511 -5.118 -17.297 -20.503 1.00 13.54 H new ATOM 0 HB VAL A 511 -7.970 -16.547 -21.277 1.00 52.12 H new ATOM 0 HG11 VAL A 511 -8.123 -18.787 -22.312 1.00 72.50 H new ATOM 0 HG12 VAL A 511 -6.911 -17.761 -23.117 1.00 72.50 H new ATOM 0 HG13 VAL A 511 -6.390 -19.039 -21.993 1.00 72.50 H new ATOM 0 HG21 VAL A 511 -8.581 -18.551 -19.971 1.00 64.23 H new ATOM 0 HG22 VAL A 511 -6.866 -18.787 -19.558 1.00 64.23 H new ATOM 0 HG23 VAL A 511 -7.729 -17.342 -18.981 1.00 64.23 H new ATOM 168 N THR A 512 -4.407 -16.512 -22.760 1.00 40.25 N ATOM 169 CA THR A 512 -3.960 -16.104 -24.066 1.00 22.32 C ATOM 170 C THR A 512 -3.662 -17.362 -24.893 1.00 41.42 C ATOM 171 O THR A 512 -3.189 -18.379 -24.350 1.00 12.41 O ATOM 172 CB THR A 512 -2.695 -15.160 -23.999 1.00 41.54 C ATOM 173 OG1 THR A 512 -2.438 -14.559 -25.281 1.00 61.33 O ATOM 174 CG2 THR A 512 -1.443 -15.917 -23.565 1.00 73.43 C ATOM 0 H THR A 512 -3.849 -17.256 -22.342 1.00 40.25 H new ATOM 0 HA THR A 512 -4.749 -15.521 -24.540 1.00 22.32 H new ATOM 0 HB THR A 512 -2.921 -14.391 -23.260 1.00 41.54 H new ATOM 0 HG1 THR A 512 -1.652 -13.977 -25.218 1.00 61.33 H new ATOM 0 HG21 THR A 512 -0.596 -15.231 -23.532 1.00 73.43 H new ATOM 0 HG22 THR A 512 -1.602 -16.346 -22.575 1.00 73.43 H new ATOM 0 HG23 THR A 512 -1.235 -16.716 -24.277 1.00 73.43 H new ATOM 182 N HIS A 513 -3.985 -17.346 -26.147 1.00 14.30 N ATOM 183 CA HIS A 513 -3.589 -18.432 -26.980 1.00 72.31 C ATOM 184 C HIS A 513 -2.550 -17.884 -27.924 1.00 62.44 C ATOM 185 O HIS A 513 -2.644 -16.722 -28.347 1.00 65.24 O ATOM 186 CB HIS A 513 -4.779 -19.093 -27.733 1.00 52.54 C ATOM 187 CG HIS A 513 -5.219 -18.429 -29.009 1.00 51.32 C ATOM 188 ND1 HIS A 513 -5.924 -17.254 -29.074 1.00 54.42 N ATOM 189 CD2 HIS A 513 -5.019 -18.816 -30.290 1.00 44.12 C ATOM 190 CE1 HIS A 513 -6.129 -16.967 -30.354 1.00 24.41 C ATOM 191 NE2 HIS A 513 -5.596 -17.890 -31.145 1.00 74.05 N ATOM 0 H HIS A 513 -4.513 -16.606 -26.609 1.00 14.30 H new ATOM 0 HA HIS A 513 -3.181 -19.241 -26.373 1.00 72.31 H new ATOM 0 HB2 HIS A 513 -4.508 -20.124 -27.961 1.00 52.54 H new ATOM 0 HB3 HIS A 513 -5.632 -19.130 -27.056 1.00 52.54 H new ATOM 0 HD2 HIS A 513 -4.492 -19.707 -30.598 1.00 44.12 H new ATOM 0 HE1 HIS A 513 -6.661 -16.095 -30.706 1.00 24.41 H new ATOM 0 HE2 HIS A 513 -5.608 -17.913 -32.165 1.00 74.05 H new ATOM 199 N VAL A 514 -1.573 -18.647 -28.220 1.00 75.23 N ATOM 200 CA VAL A 514 -0.535 -18.183 -29.074 1.00 52.41 C ATOM 201 C VAL A 514 -0.371 -19.068 -30.265 1.00 42.01 C ATOM 202 O VAL A 514 -0.744 -20.249 -30.246 1.00 23.11 O ATOM 203 CB VAL A 514 0.819 -17.982 -28.342 1.00 53.53 C ATOM 204 CG1 VAL A 514 0.756 -16.782 -27.418 1.00 72.44 C ATOM 205 CG2 VAL A 514 1.182 -19.217 -27.551 1.00 33.42 C ATOM 0 H VAL A 514 -1.462 -19.604 -27.885 1.00 75.23 H new ATOM 0 HA VAL A 514 -0.850 -17.197 -29.416 1.00 52.41 H new ATOM 0 HB VAL A 514 1.586 -17.805 -29.096 1.00 53.53 H new ATOM 0 HG11 VAL A 514 1.715 -16.659 -26.915 1.00 72.44 H new ATOM 0 HG12 VAL A 514 0.534 -15.887 -27.999 1.00 72.44 H new ATOM 0 HG13 VAL A 514 -0.026 -16.936 -26.675 1.00 72.44 H new ATOM 0 HG21 VAL A 514 2.134 -19.058 -27.045 1.00 33.42 H new ATOM 0 HG22 VAL A 514 0.406 -19.416 -26.812 1.00 33.42 H new ATOM 0 HG23 VAL A 514 1.268 -20.069 -28.226 1.00 33.42 H new ATOM 215 N SER A 515 0.144 -18.495 -31.301 1.00 44.43 N ATOM 216 CA SER A 515 0.381 -19.196 -32.507 1.00 72.55 C ATOM 217 C SER A 515 1.590 -20.119 -32.332 1.00 32.21 C ATOM 218 O SER A 515 2.601 -19.727 -31.777 1.00 73.03 O ATOM 219 CB SER A 515 0.625 -18.174 -33.599 1.00 23.12 C ATOM 220 OG SER A 515 -0.464 -17.248 -33.657 1.00 34.44 O ATOM 0 H SER A 515 0.414 -17.512 -31.329 1.00 44.43 H new ATOM 0 HA SER A 515 -0.475 -19.815 -32.776 1.00 72.55 H new ATOM 0 HB2 SER A 515 1.556 -17.641 -33.408 1.00 23.12 H new ATOM 0 HB3 SER A 515 0.737 -18.676 -34.560 1.00 23.12 H new ATOM 0 HG SER A 515 -0.297 -16.590 -34.364 1.00 34.44 H new ATOM 226 N GLU A 516 1.487 -21.316 -32.833 1.00 20.22 N ATOM 227 CA GLU A 516 2.546 -22.321 -32.720 1.00 52.13 C ATOM 228 C GLU A 516 3.728 -22.056 -33.673 1.00 12.25 C ATOM 229 O GLU A 516 4.716 -22.805 -33.713 1.00 73.25 O ATOM 230 CB GLU A 516 1.950 -23.732 -32.878 1.00 13.13 C ATOM 231 CG GLU A 516 0.807 -23.842 -33.897 1.00 43.42 C ATOM 232 CD GLU A 516 1.198 -23.504 -35.314 1.00 72.35 C ATOM 233 OE1 GLU A 516 1.191 -22.303 -35.689 1.00 31.21 O ATOM 234 OE2 GLU A 516 1.469 -24.424 -36.095 1.00 1.21 O ATOM 0 H GLU A 516 0.664 -21.641 -33.340 1.00 20.22 H new ATOM 0 HA GLU A 516 2.976 -22.248 -31.721 1.00 52.13 H new ATOM 0 HB2 GLU A 516 2.746 -24.416 -33.172 1.00 13.13 H new ATOM 0 HB3 GLU A 516 1.585 -24.067 -31.907 1.00 13.13 H new ATOM 0 HG2 GLU A 516 0.414 -24.858 -33.875 1.00 43.42 H new ATOM 0 HG3 GLU A 516 -0.002 -23.180 -33.589 1.00 43.42 H new ATOM 241 N SER A 517 3.627 -20.982 -34.399 1.00 74.43 N ATOM 242 CA SER A 517 4.633 -20.559 -35.323 1.00 52.54 C ATOM 243 C SER A 517 5.072 -19.107 -35.033 1.00 2.34 C ATOM 244 O SER A 517 5.681 -18.449 -35.877 1.00 31.33 O ATOM 245 CB SER A 517 4.049 -20.705 -36.718 1.00 55.54 C ATOM 246 OG SER A 517 2.699 -20.244 -36.719 1.00 34.21 O ATOM 0 H SER A 517 2.819 -20.360 -34.362 1.00 74.43 H new ATOM 0 HA SER A 517 5.530 -21.171 -35.229 1.00 52.54 H new ATOM 0 HB2 SER A 517 4.640 -20.133 -37.433 1.00 55.54 H new ATOM 0 HB3 SER A 517 4.089 -21.748 -37.033 1.00 55.54 H new ATOM 0 HG SER A 517 2.120 -20.925 -36.317 1.00 34.21 H new ATOM 252 N ILE A 518 4.786 -18.623 -33.818 1.00 23.35 N ATOM 253 CA ILE A 518 5.143 -17.250 -33.450 1.00 52.25 C ATOM 254 C ILE A 518 6.625 -17.169 -33.047 1.00 25.02 C ATOM 255 O ILE A 518 7.263 -16.106 -33.137 1.00 32.11 O ATOM 256 CB ILE A 518 4.253 -16.703 -32.279 1.00 24.12 C ATOM 257 CG1 ILE A 518 4.524 -15.207 -32.049 1.00 40.11 C ATOM 258 CG2 ILE A 518 4.472 -17.496 -30.983 1.00 20.33 C ATOM 259 CD1 ILE A 518 3.779 -14.616 -30.888 1.00 55.35 C ATOM 0 H ILE A 518 4.316 -19.153 -33.084 1.00 23.35 H new ATOM 0 HA ILE A 518 4.966 -16.629 -34.328 1.00 52.25 H new ATOM 0 HB ILE A 518 3.210 -16.830 -32.570 1.00 24.12 H new ATOM 0 HG12 ILE A 518 5.593 -15.063 -31.891 1.00 40.11 H new ATOM 0 HG13 ILE A 518 4.259 -14.659 -32.953 1.00 40.11 H new ATOM 0 HG21 ILE A 518 3.839 -17.088 -30.195 1.00 20.33 H new ATOM 0 HG22 ILE A 518 4.216 -18.542 -31.149 1.00 20.33 H new ATOM 0 HG23 ILE A 518 5.517 -17.422 -30.683 1.00 20.33 H new ATOM 0 HD11 ILE A 518 4.027 -13.559 -30.797 1.00 55.35 H new ATOM 0 HD12 ILE A 518 2.707 -14.724 -31.051 1.00 55.35 H new ATOM 0 HD13 ILE A 518 4.061 -15.135 -29.972 1.00 55.35 H new ATOM 271 N GLY A 519 7.167 -18.288 -32.629 1.00 43.51 N ATOM 272 CA GLY A 519 8.513 -18.326 -32.149 1.00 53.42 C ATOM 273 C GLY A 519 8.568 -17.966 -30.684 1.00 51.43 C ATOM 274 O GLY A 519 8.657 -18.844 -29.813 1.00 72.21 O ATOM 0 H GLY A 519 6.686 -19.187 -32.615 1.00 43.51 H new ATOM 0 HA2 GLY A 519 8.930 -19.322 -32.300 1.00 53.42 H new ATOM 0 HA3 GLY A 519 9.128 -17.633 -32.722 1.00 53.42 H new ATOM 278 N ILE A 520 8.440 -16.691 -30.408 1.00 20.23 N ATOM 279 CA ILE A 520 8.517 -16.179 -29.064 1.00 23.02 C ATOM 280 C ILE A 520 7.271 -15.382 -28.778 1.00 42.55 C ATOM 281 O ILE A 520 6.892 -14.518 -29.566 1.00 3.14 O ATOM 282 CB ILE A 520 9.769 -15.255 -28.859 1.00 1.32 C ATOM 283 CG1 ILE A 520 11.081 -16.014 -29.117 1.00 24.13 C ATOM 284 CG2 ILE A 520 9.784 -14.629 -27.465 1.00 50.23 C ATOM 285 CD1 ILE A 520 11.294 -17.201 -28.204 1.00 63.25 C ATOM 0 H ILE A 520 8.278 -15.975 -31.116 1.00 20.23 H new ATOM 0 HA ILE A 520 8.609 -17.026 -28.384 1.00 23.02 H new ATOM 0 HB ILE A 520 9.691 -14.452 -29.592 1.00 1.32 H new ATOM 0 HG12 ILE A 520 11.093 -16.357 -30.151 1.00 24.13 H new ATOM 0 HG13 ILE A 520 11.917 -15.324 -29.000 1.00 24.13 H new ATOM 0 HG21 ILE A 520 10.665 -13.996 -27.360 1.00 50.23 H new ATOM 0 HG22 ILE A 520 8.886 -14.027 -27.327 1.00 50.23 H new ATOM 0 HG23 ILE A 520 9.812 -15.417 -26.713 1.00 50.23 H new ATOM 0 HD11 ILE A 520 12.240 -17.683 -28.449 1.00 63.25 H new ATOM 0 HD12 ILE A 520 11.316 -16.864 -27.168 1.00 63.25 H new ATOM 0 HD13 ILE A 520 10.479 -17.913 -28.337 1.00 63.25 H new ATOM 297 N MET A 521 6.629 -15.680 -27.698 1.00 21.43 N ATOM 298 CA MET A 521 5.460 -14.941 -27.299 1.00 43.55 C ATOM 299 C MET A 521 5.840 -13.909 -26.258 1.00 3.24 C ATOM 300 O MET A 521 6.701 -14.168 -25.405 1.00 63.51 O ATOM 301 CB MET A 521 4.363 -15.862 -26.767 1.00 2.00 C ATOM 302 CG MET A 521 4.818 -16.771 -25.645 1.00 71.23 C ATOM 303 SD MET A 521 3.475 -17.670 -24.856 1.00 12.53 S ATOM 304 CE MET A 521 2.528 -16.326 -24.147 1.00 70.12 C ATOM 0 H MET A 521 6.891 -16.436 -27.065 1.00 21.43 H new ATOM 0 HA MET A 521 5.060 -14.437 -28.179 1.00 43.55 H new ATOM 0 HB2 MET A 521 3.530 -15.253 -26.414 1.00 2.00 H new ATOM 0 HB3 MET A 521 3.986 -16.473 -27.587 1.00 2.00 H new ATOM 0 HG2 MET A 521 5.541 -17.486 -26.038 1.00 71.23 H new ATOM 0 HG3 MET A 521 5.336 -16.175 -24.893 1.00 71.23 H new ATOM 0 HE1 MET A 521 2.325 -16.538 -23.097 1.00 70.12 H new ATOM 0 HE2 MET A 521 3.096 -15.399 -24.227 1.00 70.12 H new ATOM 0 HE3 MET A 521 1.586 -16.221 -24.685 1.00 70.12 H new ATOM 314 N GLU A 522 5.230 -12.751 -26.351 1.00 12.13 N ATOM 315 CA GLU A 522 5.471 -11.651 -25.446 1.00 61.31 C ATOM 316 C GLU A 522 4.346 -11.554 -24.443 1.00 60.14 C ATOM 317 O GLU A 522 3.166 -11.564 -24.820 1.00 24.35 O ATOM 318 CB GLU A 522 5.523 -10.346 -26.226 1.00 61.03 C ATOM 319 CG GLU A 522 6.649 -10.249 -27.226 1.00 33.43 C ATOM 320 CD GLU A 522 6.450 -9.092 -28.161 1.00 43.43 C ATOM 321 OE1 GLU A 522 5.728 -9.260 -29.176 1.00 51.05 O ATOM 322 OE2 GLU A 522 6.963 -7.986 -27.891 1.00 31.24 O ATOM 0 H GLU A 522 4.539 -12.543 -27.072 1.00 12.13 H new ATOM 0 HA GLU A 522 6.417 -11.824 -24.934 1.00 61.31 H new ATOM 0 HB2 GLU A 522 4.577 -10.216 -26.752 1.00 61.03 H new ATOM 0 HB3 GLU A 522 5.611 -9.521 -25.520 1.00 61.03 H new ATOM 0 HG2 GLU A 522 7.597 -10.135 -26.700 1.00 33.43 H new ATOM 0 HG3 GLU A 522 6.711 -11.175 -27.798 1.00 33.43 H new ATOM 329 N VAL A 523 4.688 -11.500 -23.190 1.00 35.44 N ATOM 330 CA VAL A 523 3.708 -11.288 -22.150 1.00 32.43 C ATOM 331 C VAL A 523 4.126 -10.102 -21.340 1.00 62.43 C ATOM 332 O VAL A 523 5.246 -10.077 -20.842 1.00 4.31 O ATOM 333 CB VAL A 523 3.601 -12.485 -21.186 1.00 24.23 C ATOM 334 CG1 VAL A 523 2.496 -12.266 -20.167 1.00 15.24 C ATOM 335 CG2 VAL A 523 3.412 -13.784 -21.927 1.00 1.24 C ATOM 0 H VAL A 523 5.646 -11.600 -22.855 1.00 35.44 H new ATOM 0 HA VAL A 523 2.743 -11.146 -22.636 1.00 32.43 H new ATOM 0 HB VAL A 523 4.546 -12.557 -20.647 1.00 24.23 H new ATOM 0 HG11 VAL A 523 2.442 -13.125 -19.499 1.00 15.24 H new ATOM 0 HG12 VAL A 523 2.709 -11.368 -19.587 1.00 15.24 H new ATOM 0 HG13 VAL A 523 1.543 -12.147 -20.683 1.00 15.24 H new ATOM 0 HG21 VAL A 523 3.341 -14.604 -21.212 1.00 1.24 H new ATOM 0 HG22 VAL A 523 2.497 -13.737 -22.517 1.00 1.24 H new ATOM 0 HG23 VAL A 523 4.262 -13.952 -22.589 1.00 1.24 H new ATOM 345 N LYS A 524 3.273 -9.127 -21.216 1.00 23.22 N ATOM 346 CA LYS A 524 3.589 -7.997 -20.387 1.00 64.54 C ATOM 347 C LYS A 524 3.044 -8.185 -19.000 1.00 32.32 C ATOM 348 O LYS A 524 1.884 -8.587 -18.812 1.00 63.13 O ATOM 349 CB LYS A 524 3.059 -6.685 -20.952 1.00 70.23 C ATOM 350 CG LYS A 524 3.666 -6.267 -22.263 1.00 21.12 C ATOM 351 CD LYS A 524 3.169 -4.894 -22.657 1.00 10.25 C ATOM 352 CE LYS A 524 3.676 -4.488 -24.019 1.00 50.14 C ATOM 353 NZ LYS A 524 3.164 -5.382 -25.091 1.00 4.45 N ATOM 0 H LYS A 524 2.362 -9.089 -21.673 1.00 23.22 H new ATOM 0 HA LYS A 524 4.677 -7.938 -20.358 1.00 64.54 H new ATOM 0 HB2 LYS A 524 1.980 -6.771 -21.079 1.00 70.23 H new ATOM 0 HB3 LYS A 524 3.232 -5.896 -20.221 1.00 70.23 H new ATOM 0 HG2 LYS A 524 4.753 -6.258 -22.182 1.00 21.12 H new ATOM 0 HG3 LYS A 524 3.410 -6.990 -23.037 1.00 21.12 H new ATOM 0 HD2 LYS A 524 2.079 -4.888 -22.657 1.00 10.25 H new ATOM 0 HD3 LYS A 524 3.492 -4.163 -21.916 1.00 10.25 H new ATOM 0 HE2 LYS A 524 3.374 -3.462 -24.227 1.00 50.14 H new ATOM 0 HE3 LYS A 524 4.766 -4.506 -24.021 1.00 50.14 H new ATOM 0 HZ1 LYS A 524 3.286 -4.921 -26.015 1.00 4.45 H new ATOM 0 HZ2 LYS A 524 3.693 -6.278 -25.078 1.00 4.45 H new ATOM 0 HZ3 LYS A 524 2.154 -5.574 -24.931 1.00 4.45 H new ATOM 367 N VAL A 525 3.877 -7.935 -18.041 1.00 0.14 N ATOM 368 CA VAL A 525 3.473 -7.923 -16.673 1.00 72.22 C ATOM 369 C VAL A 525 3.188 -6.481 -16.320 1.00 42.10 C ATOM 370 O VAL A 525 4.092 -5.640 -16.310 1.00 41.31 O ATOM 371 CB VAL A 525 4.554 -8.527 -15.746 1.00 20.23 C ATOM 372 CG1 VAL A 525 4.129 -8.449 -14.289 1.00 53.41 C ATOM 373 CG2 VAL A 525 4.818 -9.969 -16.133 1.00 64.31 C ATOM 0 H VAL A 525 4.866 -7.732 -18.187 1.00 0.14 H new ATOM 0 HA VAL A 525 2.587 -8.542 -16.532 1.00 72.22 H new ATOM 0 HB VAL A 525 5.469 -7.947 -15.865 1.00 20.23 H new ATOM 0 HG11 VAL A 525 4.907 -8.881 -13.659 1.00 53.41 H new ATOM 0 HG12 VAL A 525 3.973 -7.407 -14.011 1.00 53.41 H new ATOM 0 HG13 VAL A 525 3.201 -9.004 -14.150 1.00 53.41 H new ATOM 0 HG21 VAL A 525 5.580 -10.388 -15.476 1.00 64.31 H new ATOM 0 HG22 VAL A 525 3.898 -10.546 -16.036 1.00 64.31 H new ATOM 0 HG23 VAL A 525 5.166 -10.011 -17.165 1.00 64.31 H new ATOM 383 N LEU A 526 1.944 -6.197 -16.090 1.00 54.05 N ATOM 384 CA LEU A 526 1.489 -4.854 -15.881 1.00 63.04 C ATOM 385 C LEU A 526 1.514 -4.512 -14.406 1.00 40.32 C ATOM 386 O LEU A 526 1.239 -5.371 -13.552 1.00 1.13 O ATOM 387 CB LEU A 526 0.073 -4.708 -16.454 1.00 72.24 C ATOM 388 CG LEU A 526 -0.082 -5.102 -17.937 1.00 21.41 C ATOM 389 CD1 LEU A 526 -1.533 -5.011 -18.378 1.00 64.11 C ATOM 390 CD2 LEU A 526 0.798 -4.233 -18.827 1.00 14.42 C ATOM 0 H LEU A 526 1.205 -6.899 -16.041 1.00 54.05 H new ATOM 0 HA LEU A 526 2.153 -4.159 -16.394 1.00 63.04 H new ATOM 0 HB2 LEU A 526 -0.606 -5.319 -15.860 1.00 72.24 H new ATOM 0 HB3 LEU A 526 -0.244 -3.672 -16.335 1.00 72.24 H new ATOM 0 HG LEU A 526 0.242 -6.138 -18.039 1.00 21.41 H new ATOM 0 HD11 LEU A 526 -1.613 -5.294 -19.428 1.00 64.11 H new ATOM 0 HD12 LEU A 526 -2.140 -5.685 -17.773 1.00 64.11 H new ATOM 0 HD13 LEU A 526 -1.889 -3.989 -18.250 1.00 64.11 H new ATOM 0 HD21 LEU A 526 0.670 -4.531 -19.868 1.00 14.42 H new ATOM 0 HD22 LEU A 526 0.512 -3.187 -18.711 1.00 14.42 H new ATOM 0 HD23 LEU A 526 1.842 -4.358 -18.540 1.00 14.42 H new ATOM 402 N ARG A 527 1.857 -3.280 -14.110 1.00 42.25 N ATOM 403 CA ARG A 527 1.918 -2.800 -12.754 1.00 24.25 C ATOM 404 C ARG A 527 0.775 -1.840 -12.442 1.00 23.23 C ATOM 405 O ARG A 527 0.765 -0.701 -12.880 1.00 40.23 O ATOM 406 CB ARG A 527 3.342 -2.258 -12.379 1.00 13.00 C ATOM 407 CG ARG A 527 4.151 -1.580 -13.514 1.00 31.22 C ATOM 408 CD ARG A 527 4.208 -0.047 -13.439 1.00 75.31 C ATOM 409 NE ARG A 527 2.913 0.609 -13.603 1.00 53.44 N ATOM 410 CZ ARG A 527 2.712 1.868 -14.014 1.00 13.24 C ATOM 411 NH1 ARG A 527 3.704 2.600 -14.473 1.00 61.51 N ATOM 412 NH2 ARG A 527 1.497 2.364 -14.024 1.00 71.01 N ATOM 0 H ARG A 527 2.103 -2.580 -14.810 1.00 42.25 H new ATOM 0 HA ARG A 527 1.764 -3.652 -12.092 1.00 24.25 H new ATOM 0 HB2 ARG A 527 3.230 -1.541 -11.566 1.00 13.00 H new ATOM 0 HB3 ARG A 527 3.931 -3.089 -11.991 1.00 13.00 H new ATOM 0 HG2 ARG A 527 5.169 -1.968 -13.497 1.00 31.22 H new ATOM 0 HG3 ARG A 527 3.717 -1.867 -14.472 1.00 31.22 H new ATOM 0 HD2 ARG A 527 4.630 0.243 -12.477 1.00 75.31 H new ATOM 0 HD3 ARG A 527 4.888 0.318 -14.209 1.00 75.31 H new ATOM 0 HE ARG A 527 2.084 0.056 -13.384 1.00 53.44 H new ATOM 0 HH11 ARG A 527 4.646 2.211 -14.520 1.00 61.51 H new ATOM 0 HH12 ARG A 527 3.532 3.557 -14.781 1.00 61.51 H new ATOM 0 HH21 ARG A 527 0.710 1.791 -13.719 1.00 71.01 H new ATOM 0 HH22 ARG A 527 1.340 3.322 -14.336 1.00 71.01 H new ATOM 426 N THR A 528 -0.198 -2.325 -11.706 1.00 41.41 N ATOM 427 CA THR A 528 -1.379 -1.550 -11.377 1.00 43.13 C ATOM 428 C THR A 528 -1.044 -0.327 -10.496 1.00 61.50 C ATOM 429 O THR A 528 -1.264 0.815 -10.912 1.00 13.31 O ATOM 430 CB THR A 528 -2.434 -2.436 -10.690 1.00 41.12 C ATOM 431 OG1 THR A 528 -2.632 -3.614 -11.481 1.00 53.13 O ATOM 432 CG2 THR A 528 -3.761 -1.698 -10.540 1.00 25.43 C ATOM 0 H THR A 528 -0.196 -3.268 -11.317 1.00 41.41 H new ATOM 0 HA THR A 528 -1.789 -1.173 -12.314 1.00 43.13 H new ATOM 0 HB THR A 528 -2.077 -2.698 -9.694 1.00 41.12 H new ATOM 0 HG1 THR A 528 -3.301 -4.187 -11.052 1.00 53.13 H new ATOM 0 HG21 THR A 528 -4.486 -2.349 -10.052 1.00 25.43 H new ATOM 0 HG22 THR A 528 -3.613 -0.802 -9.937 1.00 25.43 H new ATOM 0 HG23 THR A 528 -4.133 -1.415 -11.525 1.00 25.43 H new ATOM 440 N SER A 529 -0.512 -0.559 -9.307 1.00 23.23 N ATOM 441 CA SER A 529 -0.192 0.524 -8.405 1.00 55.53 C ATOM 442 C SER A 529 1.052 1.302 -8.855 1.00 21.23 C ATOM 443 O SER A 529 1.015 2.525 -8.994 1.00 32.32 O ATOM 444 CB SER A 529 -0.041 -0.027 -6.994 1.00 21.22 C ATOM 445 OG SER A 529 0.770 -1.191 -7.007 1.00 74.23 O ATOM 0 H SER A 529 -0.294 -1.489 -8.948 1.00 23.23 H new ATOM 0 HA SER A 529 -1.011 1.243 -8.416 1.00 55.53 H new ATOM 0 HB2 SER A 529 0.404 0.728 -6.347 1.00 21.22 H new ATOM 0 HB3 SER A 529 -1.022 -0.263 -6.581 1.00 21.22 H new ATOM 0 HG SER A 529 0.994 -1.444 -6.087 1.00 74.23 H new ATOM 451 N GLY A 530 2.131 0.595 -9.095 1.00 53.44 N ATOM 452 CA GLY A 530 3.345 1.223 -9.520 1.00 63.35 C ATOM 453 C GLY A 530 4.531 0.353 -9.224 1.00 30.55 C ATOM 454 O GLY A 530 4.411 -0.874 -9.282 1.00 70.10 O ATOM 0 H GLY A 530 2.186 -0.419 -9.001 1.00 53.44 H new ATOM 0 HA2 GLY A 530 3.298 1.428 -10.589 1.00 63.35 H new ATOM 0 HA3 GLY A 530 3.458 2.183 -9.016 1.00 63.35 H new ATOM 458 N ALA A 531 5.645 0.986 -8.896 1.00 54.22 N ATOM 459 CA ALA A 531 6.921 0.342 -8.587 1.00 53.21 C ATOM 460 C ALA A 531 7.912 1.439 -8.234 1.00 10.51 C ATOM 461 O ALA A 531 8.003 2.439 -8.961 1.00 62.23 O ATOM 462 CB ALA A 531 7.448 -0.439 -9.795 1.00 31.41 C ATOM 0 H ALA A 531 5.692 2.003 -8.834 1.00 54.22 H new ATOM 0 HA ALA A 531 6.788 -0.359 -7.763 1.00 53.21 H new ATOM 0 HB1 ALA A 531 8.398 -0.908 -9.539 1.00 31.41 H new ATOM 0 HB2 ALA A 531 6.727 -1.208 -10.074 1.00 31.41 H new ATOM 0 HB3 ALA A 531 7.594 0.242 -10.633 1.00 31.41 H new ATOM 468 N ARG A 532 8.622 1.311 -7.136 1.00 75.11 N ATOM 469 CA ARG A 532 9.564 2.345 -6.772 1.00 64.14 C ATOM 470 C ARG A 532 10.745 1.786 -5.978 1.00 44.31 C ATOM 471 O ARG A 532 10.686 1.653 -4.758 1.00 31.30 O ATOM 472 CB ARG A 532 8.844 3.463 -5.996 1.00 71.44 C ATOM 473 CG ARG A 532 9.665 4.721 -5.747 1.00 63.11 C ATOM 474 CD ARG A 532 10.153 5.347 -7.054 1.00 54.40 C ATOM 475 NE ARG A 532 9.065 5.544 -8.035 1.00 11.45 N ATOM 476 CZ ARG A 532 8.588 6.729 -8.441 1.00 64.21 C ATOM 477 NH1 ARG A 532 9.005 7.857 -7.869 1.00 1.31 N ATOM 478 NH2 ARG A 532 7.693 6.782 -9.422 1.00 62.40 N ATOM 0 H ARG A 532 8.569 0.521 -6.493 1.00 75.11 H new ATOM 0 HA ARG A 532 9.976 2.767 -7.689 1.00 64.14 H new ATOM 0 HB2 ARG A 532 7.944 3.740 -6.544 1.00 71.44 H new ATOM 0 HB3 ARG A 532 8.521 3.064 -5.034 1.00 71.44 H new ATOM 0 HG2 ARG A 532 9.063 5.446 -5.199 1.00 63.11 H new ATOM 0 HG3 ARG A 532 10.521 4.478 -5.118 1.00 63.11 H new ATOM 0 HD2 ARG A 532 10.621 6.308 -6.839 1.00 54.40 H new ATOM 0 HD3 ARG A 532 10.921 4.710 -7.493 1.00 54.40 H new ATOM 0 HE ARG A 532 8.641 4.708 -8.437 1.00 11.45 H new ATOM 0 HH11 ARG A 532 9.692 7.823 -7.116 1.00 1.31 H new ATOM 0 HH12 ARG A 532 8.637 8.755 -8.184 1.00 1.31 H new ATOM 0 HH21 ARG A 532 7.370 5.922 -9.865 1.00 62.40 H new ATOM 0 HH22 ARG A 532 7.329 7.683 -9.732 1.00 62.40 H new ATOM 492 N GLY A 533 11.786 1.421 -6.676 1.00 75.45 N ATOM 493 CA GLY A 533 12.983 0.939 -6.035 1.00 52.23 C ATOM 494 C GLY A 533 13.625 -0.118 -6.871 1.00 41.24 C ATOM 495 O GLY A 533 14.088 0.162 -7.968 1.00 53.24 O ATOM 0 H GLY A 533 11.831 1.448 -7.695 1.00 75.45 H new ATOM 0 HA2 GLY A 533 13.679 1.764 -5.881 1.00 52.23 H new ATOM 0 HA3 GLY A 533 12.741 0.538 -5.051 1.00 52.23 H new ATOM 499 N ASN A 534 13.705 -1.302 -6.352 1.00 52.33 N ATOM 500 CA ASN A 534 14.165 -2.441 -7.110 1.00 0.42 C ATOM 501 C ASN A 534 13.277 -3.613 -6.781 1.00 53.33 C ATOM 502 O ASN A 534 13.353 -4.148 -5.684 1.00 53.41 O ATOM 503 CB ASN A 534 15.626 -2.765 -6.804 1.00 71.42 C ATOM 504 CG ASN A 534 16.141 -3.923 -7.635 1.00 14.55 C ATOM 505 OD1 ASN A 534 16.048 -5.078 -7.239 1.00 32.20 O ATOM 506 ND2 ASN A 534 16.701 -3.626 -8.786 1.00 15.50 N ATOM 0 H ASN A 534 13.454 -1.516 -5.387 1.00 52.33 H new ATOM 0 HA ASN A 534 14.110 -2.214 -8.175 1.00 0.42 H new ATOM 0 HB2 ASN A 534 16.239 -1.884 -6.992 1.00 71.42 H new ATOM 0 HB3 ASN A 534 15.729 -3.005 -5.746 1.00 71.42 H new ATOM 0 HD21 ASN A 534 17.074 -4.368 -9.378 1.00 15.50 H new ATOM 0 HD22 ASN A 534 16.763 -2.653 -9.087 1.00 15.50 H new ATOM 513 N VAL A 535 12.394 -3.964 -7.667 1.00 4.14 N ATOM 514 CA VAL A 535 11.473 -5.045 -7.392 1.00 34.34 C ATOM 515 C VAL A 535 11.698 -6.224 -8.340 1.00 21.33 C ATOM 516 O VAL A 535 11.673 -6.074 -9.561 1.00 61.44 O ATOM 517 CB VAL A 535 9.986 -4.583 -7.455 1.00 54.34 C ATOM 518 CG1 VAL A 535 9.046 -5.709 -7.042 1.00 61.41 C ATOM 519 CG2 VAL A 535 9.751 -3.349 -6.587 1.00 61.23 C ATOM 0 H VAL A 535 12.285 -3.527 -8.582 1.00 4.14 H new ATOM 0 HA VAL A 535 11.677 -5.372 -6.373 1.00 34.34 H new ATOM 0 HB VAL A 535 9.770 -4.316 -8.490 1.00 54.34 H new ATOM 0 HG11 VAL A 535 8.015 -5.360 -7.095 1.00 61.41 H new ATOM 0 HG12 VAL A 535 9.177 -6.557 -7.714 1.00 61.41 H new ATOM 0 HG13 VAL A 535 9.273 -6.017 -6.021 1.00 61.41 H new ATOM 0 HG21 VAL A 535 8.704 -3.052 -6.653 1.00 61.23 H new ATOM 0 HG22 VAL A 535 9.998 -3.580 -5.551 1.00 61.23 H new ATOM 0 HG23 VAL A 535 10.383 -2.532 -6.937 1.00 61.23 H new ATOM 529 N ILE A 536 11.923 -7.373 -7.762 1.00 20.40 N ATOM 530 CA ILE A 536 12.120 -8.605 -8.494 1.00 45.43 C ATOM 531 C ILE A 536 10.831 -9.383 -8.507 1.00 73.12 C ATOM 532 O ILE A 536 10.344 -9.780 -7.462 1.00 2.34 O ATOM 533 CB ILE A 536 13.247 -9.495 -7.871 1.00 1.05 C ATOM 534 CG1 ILE A 536 14.601 -8.779 -7.953 1.00 33.45 C ATOM 535 CG2 ILE A 536 13.324 -10.849 -8.570 1.00 13.14 C ATOM 536 CD1 ILE A 536 15.075 -8.503 -9.373 1.00 61.44 C ATOM 0 H ILE A 536 11.976 -7.486 -6.750 1.00 20.40 H new ATOM 0 HA ILE A 536 12.428 -8.341 -9.506 1.00 45.43 H new ATOM 0 HB ILE A 536 13.001 -9.665 -6.823 1.00 1.05 H new ATOM 0 HG12 ILE A 536 14.533 -7.834 -7.414 1.00 33.45 H new ATOM 0 HG13 ILE A 536 15.351 -9.384 -7.443 1.00 33.45 H new ATOM 0 HG21 ILE A 536 14.115 -11.447 -8.118 1.00 13.14 H new ATOM 0 HG22 ILE A 536 12.371 -11.368 -8.464 1.00 13.14 H new ATOM 0 HG23 ILE A 536 13.541 -10.701 -9.628 1.00 13.14 H new ATOM 0 HD11 ILE A 536 16.039 -7.995 -9.343 1.00 61.44 H new ATOM 0 HD12 ILE A 536 15.178 -9.445 -9.912 1.00 61.44 H new ATOM 0 HD13 ILE A 536 14.348 -7.871 -9.883 1.00 61.44 H new ATOM 548 N VAL A 537 10.284 -9.563 -9.666 1.00 70.31 N ATOM 549 CA VAL A 537 9.066 -10.316 -9.854 1.00 4.22 C ATOM 550 C VAL A 537 9.418 -11.655 -10.499 1.00 65.31 C ATOM 551 O VAL A 537 9.721 -11.708 -11.697 1.00 54.14 O ATOM 552 CB VAL A 537 8.079 -9.559 -10.786 1.00 62.02 C ATOM 553 CG1 VAL A 537 6.744 -10.292 -10.890 1.00 71.43 C ATOM 554 CG2 VAL A 537 7.871 -8.137 -10.302 1.00 12.04 C ATOM 0 H VAL A 537 10.672 -9.187 -10.531 1.00 70.31 H new ATOM 0 HA VAL A 537 8.589 -10.459 -8.884 1.00 4.22 H new ATOM 0 HB VAL A 537 8.520 -9.524 -11.782 1.00 62.02 H new ATOM 0 HG11 VAL A 537 6.075 -9.738 -11.549 1.00 71.43 H new ATOM 0 HG12 VAL A 537 6.908 -11.290 -11.296 1.00 71.43 H new ATOM 0 HG13 VAL A 537 6.295 -10.372 -9.900 1.00 71.43 H new ATOM 0 HG21 VAL A 537 7.177 -7.624 -10.968 1.00 12.04 H new ATOM 0 HG22 VAL A 537 7.461 -8.153 -9.292 1.00 12.04 H new ATOM 0 HG23 VAL A 537 8.826 -7.611 -10.298 1.00 12.04 H new ATOM 564 N PRO A 538 9.489 -12.724 -9.715 1.00 34.11 N ATOM 565 CA PRO A 538 9.749 -14.049 -10.246 1.00 74.52 C ATOM 566 C PRO A 538 8.500 -14.634 -10.909 1.00 54.34 C ATOM 567 O PRO A 538 7.372 -14.348 -10.495 1.00 3.12 O ATOM 568 CB PRO A 538 10.142 -14.885 -9.013 1.00 55.31 C ATOM 569 CG PRO A 538 10.089 -13.961 -7.831 1.00 54.34 C ATOM 570 CD PRO A 538 9.342 -12.730 -8.254 1.00 11.22 C ATOM 0 HA PRO A 538 10.523 -14.037 -11.013 1.00 74.52 H new ATOM 0 HB2 PRO A 538 9.458 -15.723 -8.880 1.00 55.31 H new ATOM 0 HB3 PRO A 538 11.141 -15.304 -9.132 1.00 55.31 H new ATOM 0 HG2 PRO A 538 9.590 -14.442 -6.990 1.00 54.34 H new ATOM 0 HG3 PRO A 538 11.095 -13.704 -7.500 1.00 54.34 H new ATOM 0 HD2 PRO A 538 8.294 -12.774 -7.956 1.00 11.22 H new ATOM 0 HD3 PRO A 538 9.763 -11.831 -7.805 1.00 11.22 H new ATOM 578 N TYR A 539 8.689 -15.407 -11.942 1.00 51.11 N ATOM 579 CA TYR A 539 7.585 -16.056 -12.606 1.00 70.24 C ATOM 580 C TYR A 539 7.961 -17.491 -12.913 1.00 34.43 C ATOM 581 O TYR A 539 9.159 -17.814 -12.995 1.00 54.34 O ATOM 582 CB TYR A 539 7.141 -15.292 -13.884 1.00 4.00 C ATOM 583 CG TYR A 539 8.166 -15.197 -15.012 1.00 25.34 C ATOM 584 CD1 TYR A 539 8.402 -16.276 -15.850 1.00 43.32 C ATOM 585 CD2 TYR A 539 8.866 -14.021 -15.255 1.00 20.52 C ATOM 586 CE1 TYR A 539 9.296 -16.196 -16.885 1.00 51.11 C ATOM 587 CE2 TYR A 539 9.775 -13.940 -16.296 1.00 45.31 C ATOM 588 CZ TYR A 539 9.984 -15.034 -17.106 1.00 43.24 C ATOM 589 OH TYR A 539 10.859 -14.956 -18.167 1.00 5.35 O ATOM 0 H TYR A 539 9.604 -15.606 -12.347 1.00 51.11 H new ATOM 0 HA TYR A 539 6.724 -16.049 -11.938 1.00 70.24 H new ATOM 0 HB2 TYR A 539 6.246 -15.775 -14.276 1.00 4.00 H new ATOM 0 HB3 TYR A 539 6.857 -14.280 -13.595 1.00 4.00 H new ATOM 0 HD1 TYR A 539 7.869 -17.200 -15.683 1.00 43.32 H new ATOM 0 HD2 TYR A 539 8.699 -13.160 -14.624 1.00 20.52 H new ATOM 0 HE1 TYR A 539 9.458 -17.050 -17.526 1.00 51.11 H new ATOM 0 HE2 TYR A 539 10.318 -13.023 -16.472 1.00 45.31 H new ATOM 0 HH TYR A 539 10.976 -15.846 -18.561 1.00 5.35 H new ATOM 599 N LYS A 540 6.978 -18.346 -13.085 1.00 54.42 N ATOM 600 CA LYS A 540 7.245 -19.749 -13.349 1.00 53.33 C ATOM 601 C LYS A 540 6.175 -20.348 -14.247 1.00 42.41 C ATOM 602 O LYS A 540 4.964 -20.097 -14.057 1.00 1.22 O ATOM 603 CB LYS A 540 7.383 -20.546 -12.033 1.00 2.45 C ATOM 604 CG LYS A 540 6.111 -20.586 -11.191 1.00 52.42 C ATOM 605 CD LYS A 540 6.331 -21.238 -9.840 1.00 65.11 C ATOM 606 CE LYS A 540 5.018 -21.335 -9.077 1.00 60.24 C ATOM 607 NZ LYS A 540 5.211 -21.721 -7.662 1.00 45.32 N ATOM 0 H LYS A 540 5.989 -18.100 -13.048 1.00 54.42 H new ATOM 0 HA LYS A 540 8.196 -19.816 -13.877 1.00 53.33 H new ATOM 0 HB2 LYS A 540 7.681 -21.567 -12.269 1.00 2.45 H new ATOM 0 HB3 LYS A 540 8.185 -20.109 -11.439 1.00 2.45 H new ATOM 0 HG2 LYS A 540 5.743 -19.570 -11.045 1.00 52.42 H new ATOM 0 HG3 LYS A 540 5.337 -21.131 -11.732 1.00 52.42 H new ATOM 0 HD2 LYS A 540 6.755 -22.233 -9.974 1.00 65.11 H new ATOM 0 HD3 LYS A 540 7.052 -20.659 -9.263 1.00 65.11 H new ATOM 0 HE2 LYS A 540 4.504 -20.375 -9.121 1.00 60.24 H new ATOM 0 HE3 LYS A 540 4.372 -22.065 -9.564 1.00 60.24 H new ATOM 0 HZ1 LYS A 540 4.293 -21.971 -7.242 1.00 45.32 H new ATOM 0 HZ2 LYS A 540 5.850 -22.540 -7.610 1.00 45.32 H new ATOM 0 HZ3 LYS A 540 5.626 -20.924 -7.138 1.00 45.32 H new ATOM 621 N THR A 541 6.610 -21.099 -15.229 1.00 44.42 N ATOM 622 CA THR A 541 5.726 -21.733 -16.160 1.00 71.12 C ATOM 623 C THR A 541 5.177 -23.037 -15.597 1.00 71.54 C ATOM 624 O THR A 541 5.930 -23.924 -15.211 1.00 40.03 O ATOM 625 CB THR A 541 6.433 -21.960 -17.520 1.00 10.14 C ATOM 626 OG1 THR A 541 7.765 -22.488 -17.318 1.00 23.21 O ATOM 627 CG2 THR A 541 6.531 -20.658 -18.286 1.00 74.14 C ATOM 0 H THR A 541 7.598 -21.285 -15.401 1.00 44.42 H new ATOM 0 HA THR A 541 4.879 -21.068 -16.329 1.00 71.12 H new ATOM 0 HB THR A 541 5.842 -22.676 -18.091 1.00 10.14 H new ATOM 0 HG1 THR A 541 8.137 -22.776 -18.178 1.00 23.21 H new ATOM 0 HG21 THR A 541 7.030 -20.833 -19.239 1.00 74.14 H new ATOM 0 HG22 THR A 541 5.530 -20.266 -18.467 1.00 74.14 H new ATOM 0 HG23 THR A 541 7.104 -19.936 -17.704 1.00 74.14 H new ATOM 635 N ILE A 542 3.883 -23.130 -15.534 1.00 23.44 N ATOM 636 CA ILE A 542 3.204 -24.285 -15.010 1.00 30.44 C ATOM 637 C ILE A 542 2.914 -25.219 -16.164 1.00 64.02 C ATOM 638 O ILE A 542 2.198 -24.847 -17.100 1.00 71.11 O ATOM 639 CB ILE A 542 1.847 -23.899 -14.364 1.00 54.21 C ATOM 640 CG1 ILE A 542 2.012 -22.781 -13.318 1.00 42.01 C ATOM 641 CG2 ILE A 542 1.165 -25.124 -13.752 1.00 41.55 C ATOM 642 CD1 ILE A 542 2.910 -23.134 -12.147 1.00 42.54 C ATOM 0 H ILE A 542 3.254 -22.392 -15.851 1.00 23.44 H new ATOM 0 HA ILE A 542 3.837 -24.748 -14.253 1.00 30.44 H new ATOM 0 HB ILE A 542 1.206 -23.512 -15.157 1.00 54.21 H new ATOM 0 HG12 ILE A 542 2.414 -21.896 -13.812 1.00 42.01 H new ATOM 0 HG13 ILE A 542 1.027 -22.513 -12.935 1.00 42.01 H new ATOM 0 HG21 ILE A 542 0.216 -24.827 -13.306 1.00 41.55 H new ATOM 0 HG22 ILE A 542 0.984 -25.866 -14.530 1.00 41.55 H new ATOM 0 HG23 ILE A 542 1.809 -25.553 -12.984 1.00 41.55 H new ATOM 0 HD11 ILE A 542 2.966 -22.287 -11.463 1.00 42.54 H new ATOM 0 HD12 ILE A 542 2.501 -23.997 -11.622 1.00 42.54 H new ATOM 0 HD13 ILE A 542 3.909 -23.372 -12.513 1.00 42.54 H new ATOM 654 N GLU A 543 3.465 -26.388 -16.109 1.00 24.54 N ATOM 655 CA GLU A 543 3.267 -27.378 -17.131 1.00 33.34 C ATOM 656 C GLU A 543 1.924 -28.057 -16.918 1.00 1.42 C ATOM 657 O GLU A 543 1.501 -28.257 -15.781 1.00 60.21 O ATOM 658 CB GLU A 543 4.397 -28.403 -17.088 1.00 75.31 C ATOM 659 CG GLU A 543 5.769 -27.811 -17.346 1.00 1.53 C ATOM 660 CD GLU A 543 6.879 -28.809 -17.188 1.00 65.21 C ATOM 661 OE1 GLU A 543 6.946 -29.772 -17.980 1.00 64.54 O ATOM 662 OE2 GLU A 543 7.733 -28.631 -16.291 1.00 52.32 O ATOM 0 H GLU A 543 4.072 -26.691 -15.348 1.00 24.54 H new ATOM 0 HA GLU A 543 3.273 -26.900 -18.111 1.00 33.34 H new ATOM 0 HB2 GLU A 543 4.398 -28.888 -16.112 1.00 75.31 H new ATOM 0 HB3 GLU A 543 4.201 -29.178 -17.829 1.00 75.31 H new ATOM 0 HG2 GLU A 543 5.798 -27.401 -18.356 1.00 1.53 H new ATOM 0 HG3 GLU A 543 5.935 -26.980 -16.660 1.00 1.53 H new ATOM 669 N GLY A 544 1.268 -28.385 -17.993 1.00 43.21 N ATOM 670 CA GLY A 544 -0.019 -29.028 -17.923 1.00 34.33 C ATOM 671 C GLY A 544 -0.103 -30.068 -18.989 1.00 1.44 C ATOM 672 O GLY A 544 0.616 -31.073 -18.933 1.00 62.02 O ATOM 0 H GLY A 544 1.605 -28.217 -18.941 1.00 43.21 H new ATOM 0 HA2 GLY A 544 -0.160 -29.482 -16.942 1.00 34.33 H new ATOM 0 HA3 GLY A 544 -0.814 -28.293 -18.051 1.00 34.33 H new ATOM 676 N THR A 545 -0.924 -29.828 -19.991 1.00 40.15 N ATOM 677 CA THR A 545 -0.979 -30.719 -21.121 1.00 71.24 C ATOM 678 C THR A 545 0.212 -30.427 -22.029 1.00 43.43 C ATOM 679 O THR A 545 0.685 -31.283 -22.782 1.00 62.33 O ATOM 680 CB THR A 545 -2.320 -30.594 -21.872 1.00 74.55 C ATOM 681 OG1 THR A 545 -2.636 -29.215 -22.074 1.00 71.23 O ATOM 682 CG2 THR A 545 -3.437 -31.244 -21.082 1.00 32.23 C ATOM 0 H THR A 545 -1.556 -29.029 -20.042 1.00 40.15 H new ATOM 0 HA THR A 545 -0.920 -31.751 -20.776 1.00 71.24 H new ATOM 0 HB THR A 545 -2.221 -31.098 -22.833 1.00 74.55 H new ATOM 0 HG1 THR A 545 -3.488 -29.141 -22.553 1.00 71.23 H new ATOM 0 HG21 THR A 545 -4.375 -31.145 -21.629 1.00 32.23 H new ATOM 0 HG22 THR A 545 -3.212 -32.300 -20.936 1.00 32.23 H new ATOM 0 HG23 THR A 545 -3.529 -30.755 -20.112 1.00 32.23 H new ATOM 690 N ALA A 546 0.695 -29.198 -21.934 1.00 65.35 N ATOM 691 CA ALA A 546 1.905 -28.802 -22.592 1.00 40.35 C ATOM 692 C ALA A 546 3.044 -29.060 -21.637 1.00 73.34 C ATOM 693 O ALA A 546 2.964 -28.691 -20.452 1.00 33.33 O ATOM 694 CB ALA A 546 1.858 -27.338 -22.985 1.00 62.45 C ATOM 0 H ALA A 546 0.250 -28.455 -21.395 1.00 65.35 H new ATOM 0 HA ALA A 546 2.038 -29.373 -23.511 1.00 40.35 H new ATOM 0 HB1 ALA A 546 2.789 -27.065 -23.482 1.00 62.45 H new ATOM 0 HB2 ALA A 546 1.021 -27.170 -23.663 1.00 62.45 H new ATOM 0 HB3 ALA A 546 1.730 -26.726 -22.092 1.00 62.45 H new ATOM 700 N ARG A 547 4.064 -29.689 -22.122 1.00 74.22 N ATOM 701 CA ARG A 547 5.189 -30.071 -21.328 1.00 3.23 C ATOM 702 C ARG A 547 6.351 -29.139 -21.630 1.00 32.34 C ATOM 703 O ARG A 547 6.556 -28.729 -22.795 1.00 32.20 O ATOM 704 CB ARG A 547 5.524 -31.530 -21.632 1.00 3.41 C ATOM 705 CG ARG A 547 6.643 -32.130 -20.809 1.00 72.15 C ATOM 706 CD ARG A 547 6.674 -33.636 -20.992 1.00 50.20 C ATOM 707 NE ARG A 547 6.909 -34.039 -22.396 1.00 52.24 N ATOM 708 CZ ARG A 547 6.333 -35.097 -23.012 1.00 23.03 C ATOM 709 NH1 ARG A 547 5.499 -35.898 -22.355 1.00 22.30 N ATOM 710 NH2 ARG A 547 6.606 -35.347 -24.283 1.00 70.45 N ATOM 0 H ARG A 547 4.142 -29.958 -23.103 1.00 74.22 H new ATOM 0 HA ARG A 547 4.970 -29.988 -20.264 1.00 3.23 H new ATOM 0 HB2 ARG A 547 4.626 -32.129 -21.482 1.00 3.41 H new ATOM 0 HB3 ARG A 547 5.789 -31.611 -22.686 1.00 3.41 H new ATOM 0 HG2 ARG A 547 7.598 -31.699 -21.110 1.00 72.15 H new ATOM 0 HG3 ARG A 547 6.502 -31.886 -19.756 1.00 72.15 H new ATOM 0 HD2 ARG A 547 7.457 -34.058 -20.362 1.00 50.20 H new ATOM 0 HD3 ARG A 547 5.729 -34.058 -20.651 1.00 50.20 H new ATOM 0 HE ARG A 547 7.558 -33.474 -22.944 1.00 52.24 H new ATOM 0 HH11 ARG A 547 5.286 -35.718 -21.374 1.00 22.30 H new ATOM 0 HH12 ARG A 547 5.072 -36.692 -22.832 1.00 22.30 H new ATOM 0 HH21 ARG A 547 7.249 -34.743 -24.795 1.00 70.45 H new ATOM 0 HH22 ARG A 547 6.173 -36.144 -24.750 1.00 70.45 H new ATOM 724 N GLY A 548 7.086 -28.782 -20.605 1.00 60.24 N ATOM 725 CA GLY A 548 8.164 -27.846 -20.754 1.00 31.24 C ATOM 726 C GLY A 548 9.459 -28.510 -21.128 1.00 72.34 C ATOM 727 O GLY A 548 9.472 -29.612 -21.687 1.00 43.31 O ATOM 0 H GLY A 548 6.953 -29.130 -19.655 1.00 60.24 H new ATOM 0 HA2 GLY A 548 7.902 -27.114 -21.518 1.00 31.24 H new ATOM 0 HA3 GLY A 548 8.297 -27.299 -19.821 1.00 31.24 H new ATOM 731 N GLY A 549 10.547 -27.839 -20.840 1.00 2.51 N ATOM 732 CA GLY A 549 11.860 -28.353 -21.156 1.00 3.45 C ATOM 733 C GLY A 549 12.138 -28.388 -22.647 1.00 32.33 C ATOM 734 O GLY A 549 13.002 -29.126 -23.102 1.00 41.23 O ATOM 0 H GLY A 549 10.550 -26.927 -20.383 1.00 2.51 H new ATOM 0 HA2 GLY A 549 12.613 -27.737 -20.666 1.00 3.45 H new ATOM 0 HA3 GLY A 549 11.958 -29.360 -20.750 1.00 3.45 H new ATOM 738 N GLY A 550 11.390 -27.612 -23.412 1.00 60.43 N ATOM 739 CA GLY A 550 11.608 -27.566 -24.836 1.00 2.02 C ATOM 740 C GLY A 550 10.749 -28.563 -25.591 1.00 24.33 C ATOM 741 O GLY A 550 11.067 -28.931 -26.725 1.00 34.30 O ATOM 0 H GLY A 550 10.637 -27.014 -23.071 1.00 60.43 H new ATOM 0 HA2 GLY A 550 11.396 -26.561 -25.200 1.00 2.02 H new ATOM 0 HA3 GLY A 550 12.659 -27.766 -25.045 1.00 2.02 H new ATOM 745 N GLU A 551 9.690 -29.031 -24.965 1.00 60.15 N ATOM 746 CA GLU A 551 8.787 -29.943 -25.607 1.00 75.32 C ATOM 747 C GLU A 551 7.738 -29.165 -26.408 1.00 41.13 C ATOM 748 O GLU A 551 7.864 -29.015 -27.620 1.00 72.43 O ATOM 749 CB GLU A 551 8.146 -30.855 -24.566 1.00 60.52 C ATOM 750 CG GLU A 551 7.129 -31.828 -25.107 1.00 21.10 C ATOM 751 CD GLU A 551 7.689 -32.769 -26.127 1.00 25.43 C ATOM 752 OE1 GLU A 551 8.285 -33.784 -25.733 1.00 13.32 O ATOM 753 OE2 GLU A 551 7.510 -32.534 -27.330 1.00 2.02 O ATOM 0 H GLU A 551 9.438 -28.789 -24.007 1.00 60.15 H new ATOM 0 HA GLU A 551 9.336 -30.572 -26.308 1.00 75.32 H new ATOM 0 HB2 GLU A 551 8.933 -31.418 -24.065 1.00 60.52 H new ATOM 0 HB3 GLU A 551 7.666 -30.235 -23.809 1.00 60.52 H new ATOM 0 HG2 GLU A 551 6.714 -32.405 -24.281 1.00 21.10 H new ATOM 0 HG3 GLU A 551 6.305 -31.270 -25.552 1.00 21.10 H new ATOM 760 N ASP A 552 6.737 -28.653 -25.732 1.00 61.55 N ATOM 761 CA ASP A 552 5.702 -27.867 -26.396 1.00 12.11 C ATOM 762 C ASP A 552 6.080 -26.416 -26.273 1.00 15.12 C ATOM 763 O ASP A 552 5.788 -25.585 -27.137 1.00 11.44 O ATOM 764 CB ASP A 552 4.325 -28.104 -25.758 1.00 42.15 C ATOM 765 CG ASP A 552 3.892 -29.559 -25.757 1.00 63.45 C ATOM 766 OD1 ASP A 552 3.330 -30.046 -26.763 1.00 20.11 O ATOM 767 OD2 ASP A 552 4.093 -30.238 -24.741 1.00 4.23 O ATOM 0 H ASP A 552 6.610 -28.761 -24.726 1.00 61.55 H new ATOM 0 HA ASP A 552 5.632 -28.165 -27.442 1.00 12.11 H new ATOM 0 HB2 ASP A 552 4.343 -27.739 -24.731 1.00 42.15 H new ATOM 0 HB3 ASP A 552 3.581 -27.514 -26.293 1.00 42.15 H new ATOM 772 N PHE A 553 6.760 -26.124 -25.193 1.00 71.53 N ATOM 773 CA PHE A 553 7.266 -24.820 -24.919 1.00 72.33 C ATOM 774 C PHE A 553 8.584 -24.974 -24.201 1.00 32.24 C ATOM 775 O PHE A 553 8.855 -26.035 -23.594 1.00 41.14 O ATOM 776 CB PHE A 553 6.277 -23.982 -24.073 1.00 21.43 C ATOM 777 CG PHE A 553 6.016 -24.489 -22.670 1.00 51.21 C ATOM 778 CD1 PHE A 553 5.120 -25.513 -22.444 1.00 2.14 C ATOM 779 CD2 PHE A 553 6.652 -23.910 -21.579 1.00 33.24 C ATOM 780 CE1 PHE A 553 4.861 -25.956 -21.163 1.00 52.11 C ATOM 781 CE2 PHE A 553 6.401 -24.352 -20.298 1.00 21.15 C ATOM 782 CZ PHE A 553 5.502 -25.374 -20.090 1.00 31.32 C ATOM 0 H PHE A 553 6.977 -26.808 -24.469 1.00 71.53 H new ATOM 0 HA PHE A 553 7.402 -24.282 -25.857 1.00 72.33 H new ATOM 0 HB2 PHE A 553 6.659 -22.963 -24.006 1.00 21.43 H new ATOM 0 HB3 PHE A 553 5.326 -23.932 -24.604 1.00 21.43 H new ATOM 0 HD1 PHE A 553 4.615 -25.974 -23.280 1.00 2.14 H new ATOM 0 HD2 PHE A 553 7.352 -23.103 -21.737 1.00 33.24 H new ATOM 0 HE1 PHE A 553 4.156 -26.758 -21.001 1.00 52.11 H new ATOM 0 HE2 PHE A 553 6.908 -23.898 -19.459 1.00 21.15 H new ATOM 0 HZ PHE A 553 5.299 -25.719 -19.087 1.00 31.32 H new ATOM 792 N GLU A 554 9.411 -23.982 -24.293 1.00 73.32 N ATOM 793 CA GLU A 554 10.665 -23.998 -23.604 1.00 74.24 C ATOM 794 C GLU A 554 10.380 -23.404 -22.231 1.00 55.40 C ATOM 795 O GLU A 554 9.604 -22.451 -22.120 1.00 75.21 O ATOM 796 CB GLU A 554 11.702 -23.185 -24.396 1.00 2.53 C ATOM 797 CG GLU A 554 13.132 -23.706 -24.329 1.00 4.32 C ATOM 798 CD GLU A 554 13.721 -23.704 -22.954 1.00 65.34 C ATOM 799 OE1 GLU A 554 13.524 -24.689 -22.218 1.00 44.24 O ATOM 800 OE2 GLU A 554 14.407 -22.725 -22.593 1.00 44.13 O ATOM 0 H GLU A 554 9.239 -23.141 -24.844 1.00 73.32 H new ATOM 0 HA GLU A 554 11.084 -24.999 -23.502 1.00 74.24 H new ATOM 0 HB2 GLU A 554 11.393 -23.154 -25.441 1.00 2.53 H new ATOM 0 HB3 GLU A 554 11.690 -22.158 -24.030 1.00 2.53 H new ATOM 0 HG2 GLU A 554 13.155 -24.723 -24.721 1.00 4.32 H new ATOM 0 HG3 GLU A 554 13.759 -23.099 -24.982 1.00 4.32 H new ATOM 807 N ASP A 555 10.971 -23.961 -21.207 1.00 52.23 N ATOM 808 CA ASP A 555 10.621 -23.591 -19.838 1.00 4.42 C ATOM 809 C ASP A 555 11.249 -22.277 -19.481 1.00 41.34 C ATOM 810 O ASP A 555 12.473 -22.125 -19.555 1.00 64.41 O ATOM 811 CB ASP A 555 11.077 -24.664 -18.852 1.00 43.14 C ATOM 812 CG ASP A 555 10.590 -24.424 -17.431 1.00 51.01 C ATOM 813 OD1 ASP A 555 11.247 -23.669 -16.658 1.00 13.05 O ATOM 814 OD2 ASP A 555 9.574 -25.032 -17.041 1.00 0.24 O ATOM 0 H ASP A 555 11.698 -24.673 -21.282 1.00 52.23 H new ATOM 0 HA ASP A 555 9.536 -23.501 -19.777 1.00 4.42 H new ATOM 0 HB2 ASP A 555 10.718 -25.636 -19.192 1.00 43.14 H new ATOM 0 HB3 ASP A 555 12.166 -24.708 -18.852 1.00 43.14 H new ATOM 819 N THR A 556 10.447 -21.328 -19.120 1.00 22.23 N ATOM 820 CA THR A 556 10.955 -20.053 -18.763 1.00 4.02 C ATOM 821 C THR A 556 10.430 -19.635 -17.403 1.00 52.12 C ATOM 822 O THR A 556 9.260 -19.299 -17.221 1.00 31.23 O ATOM 823 CB THR A 556 10.705 -18.964 -19.864 1.00 3.32 C ATOM 824 OG1 THR A 556 11.208 -17.684 -19.449 1.00 54.00 O ATOM 825 CG2 THR A 556 9.242 -18.844 -20.241 1.00 61.12 C ATOM 0 H THR A 556 9.432 -21.418 -19.066 1.00 22.23 H new ATOM 0 HA THR A 556 12.039 -20.142 -18.692 1.00 4.02 H new ATOM 0 HB THR A 556 11.249 -19.293 -20.749 1.00 3.32 H new ATOM 0 HG1 THR A 556 11.041 -17.023 -20.153 1.00 54.00 H new ATOM 0 HG21 THR A 556 9.125 -18.077 -21.006 1.00 61.12 H new ATOM 0 HG22 THR A 556 8.886 -19.799 -20.628 1.00 61.12 H new ATOM 0 HG23 THR A 556 8.661 -18.570 -19.361 1.00 61.12 H new ATOM 833 N CYS A 557 11.284 -19.732 -16.451 1.00 30.15 N ATOM 834 CA CYS A 557 11.007 -19.314 -15.133 1.00 10.14 C ATOM 835 C CYS A 557 12.114 -18.360 -14.766 1.00 60.31 C ATOM 836 O CYS A 557 13.244 -18.773 -14.527 1.00 51.31 O ATOM 837 CB CYS A 557 10.969 -20.522 -14.194 1.00 51.04 C ATOM 838 SG CYS A 557 9.816 -21.827 -14.708 1.00 2.23 S ATOM 0 H CYS A 557 12.221 -20.116 -16.574 1.00 30.15 H new ATOM 0 HA CYS A 557 10.035 -18.828 -15.050 1.00 10.14 H new ATOM 0 HB2 CYS A 557 11.971 -20.945 -14.123 1.00 51.04 H new ATOM 0 HB3 CYS A 557 10.695 -20.183 -13.195 1.00 51.04 H new ATOM 0 HG CYS A 557 10.381 -22.575 -15.608 1.00 2.23 H new ATOM 844 N GLY A 558 11.818 -17.097 -14.808 1.00 34.35 N ATOM 845 CA GLY A 558 12.830 -16.110 -14.599 1.00 22.31 C ATOM 846 C GLY A 558 12.395 -15.049 -13.650 1.00 54.13 C ATOM 847 O GLY A 558 11.298 -15.124 -13.085 1.00 1.22 O ATOM 0 H GLY A 558 10.884 -16.727 -14.985 1.00 34.35 H new ATOM 0 HA2 GLY A 558 13.730 -16.591 -14.216 1.00 22.31 H new ATOM 0 HA3 GLY A 558 13.094 -15.655 -15.554 1.00 22.31 H new ATOM 851 N GLU A 559 13.222 -14.062 -13.493 1.00 73.41 N ATOM 852 CA GLU A 559 12.986 -12.982 -12.584 1.00 0.15 C ATOM 853 C GLU A 559 12.966 -11.644 -13.328 1.00 33.51 C ATOM 854 O GLU A 559 13.918 -11.285 -14.030 1.00 51.13 O ATOM 855 CB GLU A 559 14.048 -12.982 -11.451 1.00 12.35 C ATOM 856 CG GLU A 559 15.520 -12.782 -11.886 1.00 52.14 C ATOM 857 CD GLU A 559 16.067 -13.900 -12.754 1.00 32.41 C ATOM 858 OE1 GLU A 559 16.590 -14.876 -12.211 1.00 5.55 O ATOM 859 OE2 GLU A 559 15.966 -13.815 -14.008 1.00 22.44 O ATOM 0 H GLU A 559 14.101 -13.983 -14.005 1.00 73.41 H new ATOM 0 HA GLU A 559 12.007 -13.122 -12.125 1.00 0.15 H new ATOM 0 HB2 GLU A 559 13.791 -12.194 -10.742 1.00 12.35 H new ATOM 0 HB3 GLU A 559 13.976 -13.929 -10.915 1.00 12.35 H new ATOM 0 HG2 GLU A 559 15.602 -11.841 -12.430 1.00 52.14 H new ATOM 0 HG3 GLU A 559 16.142 -12.691 -10.995 1.00 52.14 H new ATOM 866 N LEU A 560 11.892 -10.941 -13.211 1.00 71.31 N ATOM 867 CA LEU A 560 11.757 -9.661 -13.853 1.00 11.20 C ATOM 868 C LEU A 560 12.094 -8.565 -12.883 1.00 23.33 C ATOM 869 O LEU A 560 11.682 -8.603 -11.736 1.00 12.21 O ATOM 870 CB LEU A 560 10.348 -9.486 -14.354 1.00 0.15 C ATOM 871 CG LEU A 560 9.880 -10.517 -15.366 1.00 42.33 C ATOM 872 CD1 LEU A 560 8.418 -10.329 -15.666 1.00 3.13 C ATOM 873 CD2 LEU A 560 10.712 -10.446 -16.644 1.00 61.50 C ATOM 0 H LEU A 560 11.077 -11.230 -12.669 1.00 71.31 H new ATOM 0 HA LEU A 560 12.444 -9.612 -14.698 1.00 11.20 H new ATOM 0 HB2 LEU A 560 9.672 -9.509 -13.499 1.00 0.15 H new ATOM 0 HB3 LEU A 560 10.261 -8.497 -14.803 1.00 0.15 H new ATOM 0 HG LEU A 560 10.018 -11.508 -14.934 1.00 42.33 H new ATOM 0 HD11 LEU A 560 8.097 -11.075 -16.393 1.00 3.13 H new ATOM 0 HD12 LEU A 560 7.841 -10.444 -14.749 1.00 3.13 H new ATOM 0 HD13 LEU A 560 8.256 -9.331 -16.074 1.00 3.13 H new ATOM 0 HD21 LEU A 560 10.356 -11.195 -17.352 1.00 61.50 H new ATOM 0 HD22 LEU A 560 10.616 -9.454 -17.086 1.00 61.50 H new ATOM 0 HD23 LEU A 560 11.759 -10.638 -16.408 1.00 61.50 H new ATOM 885 N GLU A 561 12.825 -7.603 -13.332 1.00 51.24 N ATOM 886 CA GLU A 561 13.233 -6.534 -12.481 1.00 43.13 C ATOM 887 C GLU A 561 12.537 -5.242 -12.846 1.00 62.22 C ATOM 888 O GLU A 561 12.875 -4.577 -13.836 1.00 2.20 O ATOM 889 CB GLU A 561 14.744 -6.344 -12.496 1.00 63.54 C ATOM 890 CG GLU A 561 15.209 -5.251 -11.555 1.00 51.41 C ATOM 891 CD GLU A 561 16.678 -5.021 -11.609 1.00 33.13 C ATOM 892 OE1 GLU A 561 17.139 -4.292 -12.493 1.00 55.30 O ATOM 893 OE2 GLU A 561 17.407 -5.546 -10.749 1.00 62.21 O ATOM 0 H GLU A 561 13.156 -7.533 -14.294 1.00 51.24 H new ATOM 0 HA GLU A 561 12.939 -6.808 -11.468 1.00 43.13 H new ATOM 0 HB2 GLU A 561 15.226 -7.282 -12.222 1.00 63.54 H new ATOM 0 HB3 GLU A 561 15.065 -6.105 -13.510 1.00 63.54 H new ATOM 0 HG2 GLU A 561 14.693 -4.323 -11.802 1.00 51.41 H new ATOM 0 HG3 GLU A 561 14.925 -5.512 -10.536 1.00 51.41 H new ATOM 900 N PHE A 562 11.569 -4.908 -12.076 1.00 50.31 N ATOM 901 CA PHE A 562 10.889 -3.667 -12.206 1.00 74.10 C ATOM 902 C PHE A 562 11.457 -2.745 -11.166 1.00 31.20 C ATOM 903 O PHE A 562 11.119 -2.854 -9.995 1.00 70.31 O ATOM 904 CB PHE A 562 9.385 -3.811 -11.955 1.00 54.31 C ATOM 905 CG PHE A 562 8.566 -4.502 -13.018 1.00 42.35 C ATOM 906 CD1 PHE A 562 8.540 -5.886 -13.133 1.00 42.24 C ATOM 907 CD2 PHE A 562 7.761 -3.755 -13.862 1.00 23.24 C ATOM 908 CE1 PHE A 562 7.735 -6.494 -14.064 1.00 5.42 C ATOM 909 CE2 PHE A 562 6.950 -4.362 -14.783 1.00 64.21 C ATOM 910 CZ PHE A 562 6.935 -5.729 -14.884 1.00 43.04 C ATOM 0 H PHE A 562 11.218 -5.498 -11.322 1.00 50.31 H new ATOM 0 HA PHE A 562 11.023 -3.289 -13.220 1.00 74.10 H new ATOM 0 HB2 PHE A 562 9.250 -4.354 -11.020 1.00 54.31 H new ATOM 0 HB3 PHE A 562 8.971 -2.814 -11.807 1.00 54.31 H new ATOM 0 HD1 PHE A 562 9.158 -6.489 -12.484 1.00 42.24 H new ATOM 0 HD2 PHE A 562 7.773 -2.677 -13.793 1.00 23.24 H new ATOM 0 HE1 PHE A 562 7.729 -7.570 -14.153 1.00 5.42 H new ATOM 0 HE2 PHE A 562 6.323 -3.765 -15.429 1.00 64.21 H new ATOM 0 HZ PHE A 562 6.294 -6.208 -15.609 1.00 43.04 H new ATOM 920 N GLN A 563 12.392 -1.922 -11.541 1.00 34.33 N ATOM 921 CA GLN A 563 12.913 -0.983 -10.600 1.00 1.04 C ATOM 922 C GLN A 563 11.925 0.130 -10.390 1.00 10.44 C ATOM 923 O GLN A 563 11.362 0.293 -9.305 1.00 5.53 O ATOM 924 CB GLN A 563 14.272 -0.441 -11.011 1.00 2.12 C ATOM 925 CG GLN A 563 15.384 -1.444 -10.848 1.00 70.44 C ATOM 926 CD GLN A 563 16.738 -0.867 -11.148 1.00 63.23 C ATOM 927 OE1 GLN A 563 16.969 0.337 -10.980 1.00 44.50 O ATOM 928 NE2 GLN A 563 17.652 -1.704 -11.535 1.00 44.24 N ATOM 0 H GLN A 563 12.801 -1.883 -12.474 1.00 34.33 H new ATOM 0 HA GLN A 563 13.066 -1.508 -9.657 1.00 1.04 H new ATOM 0 HB2 GLN A 563 14.229 -0.122 -12.052 1.00 2.12 H new ATOM 0 HB3 GLN A 563 14.499 0.443 -10.415 1.00 2.12 H new ATOM 0 HG2 GLN A 563 15.375 -1.826 -9.827 1.00 70.44 H new ATOM 0 HG3 GLN A 563 15.201 -2.292 -11.508 1.00 70.44 H new ATOM 0 HE21 GLN A 563 17.421 -2.689 -11.662 1.00 44.24 H new ATOM 0 HE22 GLN A 563 18.602 -1.376 -11.712 1.00 44.24 H new ATOM 937 N ASN A 564 11.724 0.901 -11.403 1.00 13.42 N ATOM 938 CA ASN A 564 10.751 1.943 -11.338 1.00 53.45 C ATOM 939 C ASN A 564 9.531 1.542 -12.158 1.00 23.23 C ATOM 940 O ASN A 564 9.617 0.676 -13.032 1.00 44.40 O ATOM 941 CB ASN A 564 11.322 3.250 -11.848 1.00 65.31 C ATOM 942 CG ASN A 564 10.393 4.411 -11.614 1.00 12.11 C ATOM 943 OD1 ASN A 564 9.670 4.447 -10.642 1.00 1.23 O ATOM 944 ND2 ASN A 564 10.375 5.326 -12.511 1.00 52.40 N ATOM 0 H ASN A 564 12.221 0.831 -12.291 1.00 13.42 H new ATOM 0 HA ASN A 564 10.459 2.090 -10.298 1.00 53.45 H new ATOM 0 HB2 ASN A 564 12.274 3.445 -11.355 1.00 65.31 H new ATOM 0 HB3 ASN A 564 11.528 3.162 -12.915 1.00 65.31 H new ATOM 0 HD21 ASN A 564 9.738 6.117 -12.420 1.00 52.40 H new ATOM 0 HD22 ASN A 564 10.998 5.263 -13.316 1.00 52.40 H new ATOM 951 N ASP A 565 8.429 2.197 -11.905 1.00 4.21 N ATOM 952 CA ASP A 565 7.159 1.958 -12.582 1.00 10.04 C ATOM 953 C ASP A 565 7.164 2.373 -14.051 1.00 61.21 C ATOM 954 O ASP A 565 6.277 2.002 -14.796 1.00 24.32 O ATOM 955 CB ASP A 565 6.030 2.696 -11.858 1.00 72.43 C ATOM 956 CG ASP A 565 6.194 4.213 -11.812 1.00 64.15 C ATOM 957 OD1 ASP A 565 5.871 4.908 -12.795 1.00 65.43 O ATOM 958 OD2 ASP A 565 6.621 4.735 -10.771 1.00 3.11 O ATOM 0 H ASP A 565 8.377 2.936 -11.203 1.00 4.21 H new ATOM 0 HA ASP A 565 6.999 0.880 -12.552 1.00 10.04 H new ATOM 0 HB2 ASP A 565 5.086 2.460 -12.348 1.00 72.43 H new ATOM 0 HB3 ASP A 565 5.962 2.319 -10.837 1.00 72.43 H new ATOM 963 N GLU A 566 8.173 3.090 -14.463 1.00 22.11 N ATOM 964 CA GLU A 566 8.236 3.657 -15.812 1.00 11.22 C ATOM 965 C GLU A 566 8.391 2.591 -16.927 1.00 32.35 C ATOM 966 O GLU A 566 8.289 2.916 -18.119 1.00 12.12 O ATOM 967 CB GLU A 566 9.387 4.657 -15.891 1.00 35.22 C ATOM 968 CG GLU A 566 10.756 4.018 -15.736 1.00 41.40 C ATOM 969 CD GLU A 566 11.874 5.013 -15.689 1.00 24.33 C ATOM 970 OE1 GLU A 566 12.295 5.510 -16.747 1.00 3.34 O ATOM 971 OE2 GLU A 566 12.377 5.297 -14.585 1.00 50.35 O ATOM 0 H GLU A 566 8.984 3.307 -13.883 1.00 22.11 H new ATOM 0 HA GLU A 566 7.281 4.151 -15.989 1.00 11.22 H new ATOM 0 HB2 GLU A 566 9.343 5.175 -16.849 1.00 35.22 H new ATOM 0 HB3 GLU A 566 9.257 5.411 -15.115 1.00 35.22 H new ATOM 0 HG2 GLU A 566 10.770 3.423 -14.823 1.00 41.40 H new ATOM 0 HG3 GLU A 566 10.925 3.332 -16.566 1.00 41.40 H new ATOM 978 N ILE A 567 8.609 1.350 -16.562 1.00 44.14 N ATOM 979 CA ILE A 567 8.854 0.305 -17.533 1.00 24.05 C ATOM 980 C ILE A 567 7.842 -0.809 -17.391 1.00 14.32 C ATOM 981 O ILE A 567 7.079 -0.857 -16.416 1.00 45.24 O ATOM 982 CB ILE A 567 10.271 -0.319 -17.404 1.00 14.32 C ATOM 983 CG1 ILE A 567 10.468 -0.927 -16.004 1.00 45.45 C ATOM 984 CG2 ILE A 567 11.356 0.706 -17.720 1.00 22.24 C ATOM 985 CD1 ILE A 567 11.758 -1.686 -15.843 1.00 41.50 C ATOM 0 H ILE A 567 8.622 1.035 -15.592 1.00 44.14 H new ATOM 0 HA ILE A 567 8.770 0.784 -18.508 1.00 24.05 H new ATOM 0 HB ILE A 567 10.357 -1.121 -18.137 1.00 14.32 H new ATOM 0 HG12 ILE A 567 10.434 -0.128 -15.264 1.00 45.45 H new ATOM 0 HG13 ILE A 567 9.635 -1.596 -15.789 1.00 45.45 H new ATOM 0 HG21 ILE A 567 12.336 0.240 -17.621 1.00 22.24 H new ATOM 0 HG22 ILE A 567 11.228 1.069 -18.740 1.00 22.24 H new ATOM 0 HG23 ILE A 567 11.280 1.542 -17.025 1.00 22.24 H new ATOM 0 HD11 ILE A 567 11.822 -2.083 -14.830 1.00 41.50 H new ATOM 0 HD12 ILE A 567 11.788 -2.508 -16.558 1.00 41.50 H new ATOM 0 HD13 ILE A 567 12.599 -1.017 -16.024 1.00 41.50 H new ATOM 997 N VAL A 568 7.836 -1.674 -18.356 1.00 55.11 N ATOM 998 CA VAL A 568 7.024 -2.840 -18.347 1.00 63.31 C ATOM 999 C VAL A 568 7.927 -4.010 -18.722 1.00 3.23 C ATOM 1000 O VAL A 568 8.834 -3.851 -19.546 1.00 22.23 O ATOM 1001 CB VAL A 568 5.811 -2.713 -19.333 1.00 51.33 C ATOM 1002 CG1 VAL A 568 6.245 -2.618 -20.796 1.00 3.25 C ATOM 1003 CG2 VAL A 568 4.808 -3.836 -19.123 1.00 42.25 C ATOM 0 H VAL A 568 8.413 -1.582 -19.192 1.00 55.11 H new ATOM 0 HA VAL A 568 6.587 -2.990 -17.360 1.00 63.31 H new ATOM 0 HB VAL A 568 5.317 -1.771 -19.097 1.00 51.33 H new ATOM 0 HG11 VAL A 568 5.364 -2.532 -21.432 1.00 3.25 H new ATOM 0 HG12 VAL A 568 6.878 -1.741 -20.932 1.00 3.25 H new ATOM 0 HG13 VAL A 568 6.803 -3.514 -21.069 1.00 3.25 H new ATOM 0 HG21 VAL A 568 3.979 -3.719 -19.822 1.00 42.25 H new ATOM 0 HG22 VAL A 568 5.295 -4.796 -19.295 1.00 42.25 H new ATOM 0 HG23 VAL A 568 4.429 -3.799 -18.102 1.00 42.25 H new ATOM 1013 N LYS A 569 7.747 -5.131 -18.093 1.00 31.22 N ATOM 1014 CA LYS A 569 8.571 -6.279 -18.393 1.00 2.23 C ATOM 1015 C LYS A 569 7.828 -7.278 -19.207 1.00 1.10 C ATOM 1016 O LYS A 569 6.605 -7.443 -19.060 1.00 71.44 O ATOM 1017 CB LYS A 569 9.159 -6.930 -17.144 1.00 53.31 C ATOM 1018 CG LYS A 569 10.316 -6.189 -16.517 1.00 20.32 C ATOM 1019 CD LYS A 569 11.523 -6.235 -17.405 1.00 32.30 C ATOM 1020 CE LYS A 569 12.706 -5.521 -16.795 1.00 74.24 C ATOM 1021 NZ LYS A 569 13.896 -5.564 -17.676 1.00 55.11 N ATOM 0 H LYS A 569 7.043 -5.283 -17.371 1.00 31.22 H new ATOM 0 HA LYS A 569 9.411 -5.907 -18.980 1.00 2.23 H new ATOM 0 HB2 LYS A 569 8.368 -7.033 -16.401 1.00 53.31 H new ATOM 0 HB3 LYS A 569 9.489 -7.937 -17.400 1.00 53.31 H new ATOM 0 HG2 LYS A 569 10.033 -5.152 -16.334 1.00 20.32 H new ATOM 0 HG3 LYS A 569 10.554 -6.630 -15.549 1.00 20.32 H new ATOM 0 HD2 LYS A 569 11.789 -7.274 -17.601 1.00 32.30 H new ATOM 0 HD3 LYS A 569 11.283 -5.781 -18.366 1.00 32.30 H new ATOM 0 HE2 LYS A 569 12.440 -4.483 -16.596 1.00 74.24 H new ATOM 0 HE3 LYS A 569 12.949 -5.977 -15.835 1.00 74.24 H new ATOM 0 HZ1 LYS A 569 14.684 -5.063 -17.219 1.00 55.11 H new ATOM 0 HZ2 LYS A 569 14.167 -6.554 -17.845 1.00 55.11 H new ATOM 0 HZ3 LYS A 569 13.673 -5.106 -18.583 1.00 55.11 H new ATOM 1035 N ILE A 570 8.556 -7.921 -20.062 1.00 25.45 N ATOM 1036 CA ILE A 570 8.006 -8.899 -20.960 1.00 32.22 C ATOM 1037 C ILE A 570 8.606 -10.266 -20.689 1.00 73.35 C ATOM 1038 O ILE A 570 9.817 -10.404 -20.465 1.00 63.04 O ATOM 1039 CB ILE A 570 8.234 -8.515 -22.456 1.00 52.10 C ATOM 1040 CG1 ILE A 570 7.578 -7.165 -22.768 1.00 45.24 C ATOM 1041 CG2 ILE A 570 7.685 -9.596 -23.397 1.00 52.24 C ATOM 1042 CD1 ILE A 570 7.794 -6.697 -24.186 1.00 42.14 C ATOM 0 H ILE A 570 9.562 -7.784 -20.162 1.00 25.45 H new ATOM 0 HA ILE A 570 6.931 -8.929 -20.780 1.00 32.22 H new ATOM 0 HB ILE A 570 9.309 -8.435 -22.619 1.00 52.10 H new ATOM 0 HG12 ILE A 570 6.507 -7.239 -22.579 1.00 45.24 H new ATOM 0 HG13 ILE A 570 7.971 -6.414 -22.083 1.00 45.24 H new ATOM 0 HG21 ILE A 570 7.859 -9.300 -24.432 1.00 52.24 H new ATOM 0 HG22 ILE A 570 8.191 -10.541 -23.200 1.00 52.24 H new ATOM 0 HG23 ILE A 570 6.615 -9.716 -23.229 1.00 52.24 H new ATOM 0 HD11 ILE A 570 7.301 -5.736 -24.331 1.00 42.14 H new ATOM 0 HD12 ILE A 570 8.862 -6.589 -24.375 1.00 42.14 H new ATOM 0 HD13 ILE A 570 7.375 -7.428 -24.878 1.00 42.14 H new ATOM 1054 N ILE A 571 7.755 -11.246 -20.657 1.00 42.42 N ATOM 1055 CA ILE A 571 8.143 -12.621 -20.512 1.00 3.05 C ATOM 1056 C ILE A 571 8.273 -13.215 -21.899 1.00 31.20 C ATOM 1057 O ILE A 571 7.357 -13.074 -22.715 1.00 22.11 O ATOM 1058 CB ILE A 571 7.063 -13.401 -19.743 1.00 50.24 C ATOM 1059 CG1 ILE A 571 6.798 -12.715 -18.398 1.00 64.22 C ATOM 1060 CG2 ILE A 571 7.484 -14.859 -19.560 1.00 42.12 C ATOM 1061 CD1 ILE A 571 5.670 -13.313 -17.611 1.00 60.31 C ATOM 0 H ILE A 571 6.747 -11.111 -20.733 1.00 42.42 H new ATOM 0 HA ILE A 571 9.083 -12.683 -19.964 1.00 3.05 H new ATOM 0 HB ILE A 571 6.136 -13.402 -20.316 1.00 50.24 H new ATOM 0 HG12 ILE A 571 7.707 -12.756 -17.797 1.00 64.22 H new ATOM 0 HG13 ILE A 571 6.582 -11.662 -18.577 1.00 64.22 H new ATOM 0 HG21 ILE A 571 6.708 -15.396 -19.014 1.00 42.12 H new ATOM 0 HG22 ILE A 571 7.627 -15.322 -20.536 1.00 42.12 H new ATOM 0 HG23 ILE A 571 8.417 -14.900 -18.999 1.00 42.12 H new ATOM 0 HD11 ILE A 571 5.551 -12.768 -16.674 1.00 60.31 H new ATOM 0 HD12 ILE A 571 4.748 -13.247 -18.189 1.00 60.31 H new ATOM 0 HD13 ILE A 571 5.890 -14.359 -17.397 1.00 60.31 H new ATOM 1073 N THR A 572 9.388 -13.827 -22.177 1.00 24.32 N ATOM 1074 CA THR A 572 9.612 -14.437 -23.450 1.00 62.30 C ATOM 1075 C THR A 572 9.538 -15.956 -23.325 1.00 74.15 C ATOM 1076 O THR A 572 10.367 -16.589 -22.658 1.00 43.21 O ATOM 1077 CB THR A 572 10.975 -13.981 -24.051 1.00 72.13 C ATOM 1078 OG1 THR A 572 12.039 -14.146 -23.084 1.00 53.12 O ATOM 1079 CG2 THR A 572 10.911 -12.519 -24.481 1.00 23.44 C ATOM 0 H THR A 572 10.167 -13.916 -21.524 1.00 24.32 H new ATOM 0 HA THR A 572 8.829 -14.114 -24.136 1.00 62.30 H new ATOM 0 HB THR A 572 11.180 -14.603 -24.922 1.00 72.13 H new ATOM 0 HG1 THR A 572 11.913 -14.988 -22.599 1.00 53.12 H new ATOM 0 HG21 THR A 572 11.873 -12.220 -24.898 1.00 23.44 H new ATOM 0 HG22 THR A 572 10.134 -12.395 -25.235 1.00 23.44 H new ATOM 0 HG23 THR A 572 10.680 -11.895 -23.617 1.00 23.44 H new ATOM 1087 N ILE A 573 8.525 -16.526 -23.917 1.00 21.12 N ATOM 1088 CA ILE A 573 8.338 -17.956 -23.892 1.00 62.53 C ATOM 1089 C ILE A 573 8.531 -18.469 -25.296 1.00 2.34 C ATOM 1090 O ILE A 573 7.963 -17.899 -26.248 1.00 53.53 O ATOM 1091 CB ILE A 573 6.907 -18.350 -23.428 1.00 14.42 C ATOM 1092 CG1 ILE A 573 6.511 -17.605 -22.145 1.00 42.44 C ATOM 1093 CG2 ILE A 573 6.815 -19.866 -23.216 1.00 2.23 C ATOM 1094 CD1 ILE A 573 5.091 -17.865 -21.700 1.00 41.21 C ATOM 0 H ILE A 573 7.806 -16.016 -24.430 1.00 21.12 H new ATOM 0 HA ILE A 573 9.053 -18.385 -23.190 1.00 62.53 H new ATOM 0 HB ILE A 573 6.208 -18.060 -24.212 1.00 14.42 H new ATOM 0 HG12 ILE A 573 7.191 -17.894 -21.344 1.00 42.44 H new ATOM 0 HG13 ILE A 573 6.642 -16.534 -22.303 1.00 42.44 H new ATOM 0 HG21 ILE A 573 5.808 -20.128 -22.891 1.00 2.23 H new ATOM 0 HG22 ILE A 573 7.039 -20.378 -24.152 1.00 2.23 H new ATOM 0 HG23 ILE A 573 7.532 -20.171 -22.454 1.00 2.23 H new ATOM 0 HD11 ILE A 573 4.887 -17.304 -20.788 1.00 41.21 H new ATOM 0 HD12 ILE A 573 4.401 -17.549 -22.482 1.00 41.21 H new ATOM 0 HD13 ILE A 573 4.959 -18.930 -21.508 1.00 41.21 H new ATOM 1106 N ARG A 574 9.343 -19.478 -25.449 1.00 1.01 N ATOM 1107 CA ARG A 574 9.543 -20.070 -26.739 1.00 31.10 C ATOM 1108 C ARG A 574 8.474 -21.108 -26.980 1.00 44.05 C ATOM 1109 O ARG A 574 8.329 -22.057 -26.197 1.00 71.34 O ATOM 1110 CB ARG A 574 10.888 -20.731 -26.842 1.00 54.30 C ATOM 1111 CG ARG A 574 11.252 -21.071 -28.261 1.00 20.04 C ATOM 1112 CD ARG A 574 12.495 -21.894 -28.333 1.00 63.00 C ATOM 1113 NE ARG A 574 13.663 -21.254 -27.723 1.00 53.12 N ATOM 1114 CZ ARG A 574 14.860 -21.189 -28.304 1.00 31.45 C ATOM 1115 NH1 ARG A 574 14.992 -21.465 -29.605 1.00 75.11 N ATOM 1116 NH2 ARG A 574 15.907 -20.799 -27.596 1.00 24.05 N ATOM 0 H ARG A 574 9.877 -19.907 -24.694 1.00 1.01 H new ATOM 0 HA ARG A 574 9.490 -19.277 -27.485 1.00 31.10 H new ATOM 0 HB2 ARG A 574 11.647 -20.071 -26.423 1.00 54.30 H new ATOM 0 HB3 ARG A 574 10.890 -21.641 -26.241 1.00 54.30 H new ATOM 0 HG2 ARG A 574 10.429 -21.614 -28.727 1.00 20.04 H new ATOM 0 HG3 ARG A 574 11.391 -20.152 -28.831 1.00 20.04 H new ATOM 0 HD2 ARG A 574 12.316 -22.849 -27.839 1.00 63.00 H new ATOM 0 HD3 ARG A 574 12.716 -22.112 -29.378 1.00 63.00 H new ATOM 0 HE ARG A 574 13.553 -20.834 -26.800 1.00 53.12 H new ATOM 0 HH11 ARG A 574 14.175 -21.726 -30.156 1.00 75.11 H new ATOM 0 HH12 ARG A 574 15.910 -21.414 -30.047 1.00 75.11 H new ATOM 0 HH21 ARG A 574 15.794 -20.551 -26.613 1.00 24.05 H new ATOM 0 HH22 ARG A 574 16.827 -20.746 -28.033 1.00 24.05 H new ATOM 1130 N ILE A 575 7.753 -20.936 -28.041 1.00 55.34 N ATOM 1131 CA ILE A 575 6.679 -21.825 -28.400 1.00 21.51 C ATOM 1132 C ILE A 575 7.142 -22.753 -29.511 1.00 65.44 C ATOM 1133 O ILE A 575 7.827 -22.313 -30.437 1.00 44.12 O ATOM 1134 CB ILE A 575 5.442 -21.002 -28.866 1.00 23.31 C ATOM 1135 CG1 ILE A 575 4.907 -20.115 -27.723 1.00 51.05 C ATOM 1136 CG2 ILE A 575 4.345 -21.889 -29.437 1.00 12.42 C ATOM 1137 CD1 ILE A 575 4.485 -20.879 -26.472 1.00 30.13 C ATOM 0 H ILE A 575 7.890 -20.166 -28.696 1.00 55.34 H new ATOM 0 HA ILE A 575 6.394 -22.420 -27.532 1.00 21.51 H new ATOM 0 HB ILE A 575 5.774 -20.350 -29.674 1.00 23.31 H new ATOM 0 HG12 ILE A 575 5.677 -19.393 -27.450 1.00 51.05 H new ATOM 0 HG13 ILE A 575 4.053 -19.546 -28.091 1.00 51.05 H new ATOM 0 HG21 ILE A 575 3.503 -21.271 -29.749 1.00 12.42 H new ATOM 0 HG22 ILE A 575 4.731 -22.437 -30.297 1.00 12.42 H new ATOM 0 HG23 ILE A 575 4.015 -22.595 -28.675 1.00 12.42 H new ATOM 0 HD11 ILE A 575 4.122 -20.176 -25.722 1.00 30.13 H new ATOM 0 HD12 ILE A 575 3.691 -21.581 -26.725 1.00 30.13 H new ATOM 0 HD13 ILE A 575 5.340 -21.426 -26.074 1.00 30.13 H new ATOM 1149 N PHE A 576 6.811 -24.016 -29.408 1.00 24.32 N ATOM 1150 CA PHE A 576 7.152 -24.985 -30.430 1.00 51.20 C ATOM 1151 C PHE A 576 5.873 -25.449 -31.107 1.00 14.21 C ATOM 1152 O PHE A 576 4.781 -25.252 -30.568 1.00 43.04 O ATOM 1153 CB PHE A 576 7.902 -26.184 -29.826 1.00 72.01 C ATOM 1154 CG PHE A 576 9.217 -25.831 -29.178 1.00 71.13 C ATOM 1155 CD1 PHE A 576 9.264 -25.427 -27.861 1.00 10.50 C ATOM 1156 CD2 PHE A 576 10.400 -25.904 -29.887 1.00 2.43 C ATOM 1157 CE1 PHE A 576 10.458 -25.104 -27.260 1.00 53.23 C ATOM 1158 CE2 PHE A 576 11.604 -25.582 -29.288 1.00 22.12 C ATOM 1159 CZ PHE A 576 11.628 -25.182 -27.967 1.00 64.40 C ATOM 0 H PHE A 576 6.299 -24.405 -28.617 1.00 24.32 H new ATOM 0 HA PHE A 576 7.812 -24.519 -31.161 1.00 51.20 H new ATOM 0 HB2 PHE A 576 7.262 -26.662 -29.085 1.00 72.01 H new ATOM 0 HB3 PHE A 576 8.083 -26.918 -30.612 1.00 72.01 H new ATOM 0 HD1 PHE A 576 8.348 -25.363 -27.292 1.00 10.50 H new ATOM 0 HD2 PHE A 576 10.385 -26.216 -30.921 1.00 2.43 H new ATOM 0 HE1 PHE A 576 10.473 -24.788 -26.227 1.00 53.23 H new ATOM 0 HE2 PHE A 576 12.523 -25.643 -29.852 1.00 22.12 H new ATOM 0 HZ PHE A 576 12.566 -24.932 -27.493 1.00 64.40 H new ATOM 1308 N CYS A 585 -2.224 -28.967 -26.563 1.00 73.52 N ATOM 1309 CA CYS A 585 -1.513 -28.756 -25.354 1.00 61.32 C ATOM 1310 C CYS A 585 -1.643 -27.306 -24.884 1.00 23.33 C ATOM 1311 O CYS A 585 -1.736 -26.384 -25.691 1.00 22.51 O ATOM 1312 CB CYS A 585 -0.064 -29.185 -25.554 1.00 21.20 C ATOM 1313 SG CYS A 585 0.688 -28.587 -27.085 1.00 54.11 S ATOM 0 HA CYS A 585 -1.942 -29.365 -24.558 1.00 61.32 H new ATOM 0 HB2 CYS A 585 0.527 -28.829 -24.710 1.00 21.20 H new ATOM 0 HB3 CYS A 585 -0.015 -30.274 -25.541 1.00 21.20 H new ATOM 0 HG CYS A 585 -0.240 -28.378 -27.971 1.00 54.11 H new ATOM 1319 N SER A 586 -1.779 -27.117 -23.602 1.00 64.10 N ATOM 1320 CA SER A 586 -1.853 -25.807 -23.017 1.00 52.45 C ATOM 1321 C SER A 586 -1.161 -25.830 -21.652 1.00 13.03 C ATOM 1322 O SER A 586 -1.030 -26.904 -21.028 1.00 3.10 O ATOM 1323 CB SER A 586 -3.320 -25.377 -22.890 1.00 65.01 C ATOM 1324 OG SER A 586 -3.969 -25.451 -24.153 1.00 32.01 O ATOM 0 H SER A 586 -1.842 -27.877 -22.925 1.00 64.10 H new ATOM 0 HA SER A 586 -1.345 -25.082 -23.653 1.00 52.45 H new ATOM 0 HB2 SER A 586 -3.833 -26.018 -22.172 1.00 65.01 H new ATOM 0 HB3 SER A 586 -3.375 -24.359 -22.505 1.00 65.01 H new ATOM 0 HG SER A 586 -4.905 -25.175 -24.057 1.00 32.01 H new ATOM 1330 N PHE A 587 -0.669 -24.701 -21.226 1.00 31.31 N ATOM 1331 CA PHE A 587 -0.004 -24.590 -19.940 1.00 75.14 C ATOM 1332 C PHE A 587 -0.423 -23.305 -19.255 1.00 73.45 C ATOM 1333 O PHE A 587 -1.271 -22.580 -19.763 1.00 23.55 O ATOM 1334 CB PHE A 587 1.532 -24.653 -20.100 1.00 62.22 C ATOM 1335 CG PHE A 587 2.158 -23.553 -20.930 1.00 53.10 C ATOM 1336 CD1 PHE A 587 2.195 -23.640 -22.309 1.00 0.21 C ATOM 1337 CD2 PHE A 587 2.726 -22.446 -20.324 1.00 31.50 C ATOM 1338 CE1 PHE A 587 2.782 -22.648 -23.064 1.00 72.34 C ATOM 1339 CE2 PHE A 587 3.318 -21.453 -21.075 1.00 23.10 C ATOM 1340 CZ PHE A 587 3.343 -21.556 -22.451 1.00 73.31 C ATOM 0 H PHE A 587 -0.713 -23.828 -21.752 1.00 31.31 H new ATOM 0 HA PHE A 587 -0.304 -25.434 -19.319 1.00 75.14 H new ATOM 0 HB2 PHE A 587 1.982 -24.633 -19.107 1.00 62.22 H new ATOM 0 HB3 PHE A 587 1.792 -25.612 -20.548 1.00 62.22 H new ATOM 0 HD1 PHE A 587 1.758 -24.496 -22.801 1.00 0.21 H new ATOM 0 HD2 PHE A 587 2.705 -22.359 -19.248 1.00 31.50 H new ATOM 0 HE1 PHE A 587 2.801 -22.730 -24.141 1.00 72.34 H new ATOM 0 HE2 PHE A 587 3.761 -20.597 -20.588 1.00 23.10 H new ATOM 0 HZ PHE A 587 3.803 -20.779 -23.044 1.00 73.31 H new ATOM 1350 N SER A 588 0.136 -23.027 -18.115 1.00 4.14 N ATOM 1351 CA SER A 588 -0.168 -21.819 -17.416 1.00 32.12 C ATOM 1352 C SER A 588 1.120 -21.154 -16.965 1.00 13.30 C ATOM 1353 O SER A 588 2.166 -21.765 -16.982 1.00 23.44 O ATOM 1354 CB SER A 588 -1.106 -22.107 -16.240 1.00 31.02 C ATOM 1355 OG SER A 588 -2.288 -22.756 -16.700 1.00 22.21 O ATOM 0 H SER A 588 0.813 -23.630 -17.647 1.00 4.14 H new ATOM 0 HA SER A 588 -0.687 -21.130 -18.082 1.00 32.12 H new ATOM 0 HB2 SER A 588 -0.600 -22.735 -15.507 1.00 31.02 H new ATOM 0 HB3 SER A 588 -1.366 -21.176 -15.737 1.00 31.02 H new ATOM 0 HG SER A 588 -2.879 -22.936 -15.940 1.00 22.21 H new ATOM 1361 N LEU A 589 1.044 -19.921 -16.633 1.00 52.13 N ATOM 1362 CA LEU A 589 2.162 -19.164 -16.157 1.00 61.21 C ATOM 1363 C LEU A 589 1.676 -18.297 -15.032 1.00 65.44 C ATOM 1364 O LEU A 589 0.589 -17.727 -15.124 1.00 63.21 O ATOM 1365 CB LEU A 589 2.737 -18.324 -17.315 1.00 43.45 C ATOM 1366 CG LEU A 589 3.816 -17.279 -16.984 1.00 31.12 C ATOM 1367 CD1 LEU A 589 4.989 -17.889 -16.271 1.00 4.23 C ATOM 1368 CD2 LEU A 589 4.304 -16.641 -18.243 1.00 4.25 C ATOM 0 H LEU A 589 0.178 -19.384 -16.683 1.00 52.13 H new ATOM 0 HA LEU A 589 2.960 -19.811 -15.793 1.00 61.21 H new ATOM 0 HB2 LEU A 589 3.153 -19.012 -18.051 1.00 43.45 H new ATOM 0 HB3 LEU A 589 1.907 -17.806 -17.796 1.00 43.45 H new ATOM 0 HG LEU A 589 3.359 -16.538 -16.328 1.00 31.12 H new ATOM 0 HD11 LEU A 589 5.727 -17.116 -16.057 1.00 4.23 H new ATOM 0 HD12 LEU A 589 4.653 -18.339 -15.337 1.00 4.23 H new ATOM 0 HD13 LEU A 589 5.440 -18.655 -16.902 1.00 4.23 H new ATOM 0 HD21 LEU A 589 5.068 -15.901 -18.004 1.00 4.25 H new ATOM 0 HD22 LEU A 589 4.729 -17.403 -18.896 1.00 4.25 H new ATOM 0 HD23 LEU A 589 3.472 -16.152 -18.749 1.00 4.25 H new ATOM 1380 N VAL A 590 2.419 -18.251 -13.958 1.00 62.10 N ATOM 1381 CA VAL A 590 2.044 -17.459 -12.809 1.00 14.33 C ATOM 1382 C VAL A 590 3.215 -16.619 -12.331 1.00 45.12 C ATOM 1383 O VAL A 590 4.384 -16.945 -12.612 1.00 63.13 O ATOM 1384 CB VAL A 590 1.508 -18.327 -11.626 1.00 33.00 C ATOM 1385 CG1 VAL A 590 0.222 -19.054 -12.004 1.00 52.20 C ATOM 1386 CG2 VAL A 590 2.556 -19.321 -11.145 1.00 41.53 C ATOM 0 H VAL A 590 3.298 -18.758 -13.852 1.00 62.10 H new ATOM 0 HA VAL A 590 1.232 -16.809 -13.136 1.00 14.33 H new ATOM 0 HB VAL A 590 1.284 -17.644 -10.806 1.00 33.00 H new ATOM 0 HG11 VAL A 590 -0.122 -19.648 -11.158 1.00 52.20 H new ATOM 0 HG12 VAL A 590 -0.543 -18.325 -12.271 1.00 52.20 H new ATOM 0 HG13 VAL A 590 0.411 -19.709 -12.854 1.00 52.20 H new ATOM 0 HG21 VAL A 590 2.150 -19.908 -10.322 1.00 41.53 H new ATOM 0 HG22 VAL A 590 2.830 -19.986 -11.964 1.00 41.53 H new ATOM 0 HG23 VAL A 590 3.440 -18.782 -10.804 1.00 41.53 H new ATOM 1396 N LEU A 591 2.902 -15.553 -11.629 1.00 25.01 N ATOM 1397 CA LEU A 591 3.885 -14.670 -11.059 1.00 31.14 C ATOM 1398 C LEU A 591 3.982 -15.005 -9.594 1.00 30.45 C ATOM 1399 O LEU A 591 2.963 -15.263 -8.956 1.00 65.43 O ATOM 1400 CB LEU A 591 3.424 -13.221 -11.201 1.00 24.33 C ATOM 1401 CG LEU A 591 3.190 -12.705 -12.619 1.00 74.33 C ATOM 1402 CD1 LEU A 591 2.426 -11.394 -12.589 1.00 65.25 C ATOM 1403 CD2 LEU A 591 4.511 -12.521 -13.341 1.00 61.05 C ATOM 0 H LEU A 591 1.940 -15.274 -11.437 1.00 25.01 H new ATOM 0 HA LEU A 591 4.844 -14.788 -11.563 1.00 31.14 H new ATOM 0 HB2 LEU A 591 2.497 -13.104 -10.640 1.00 24.33 H new ATOM 0 HB3 LEU A 591 4.167 -12.581 -10.726 1.00 24.33 H new ATOM 0 HG LEU A 591 2.596 -13.443 -13.158 1.00 74.33 H new ATOM 0 HD11 LEU A 591 2.268 -11.041 -13.608 1.00 65.25 H new ATOM 0 HD12 LEU A 591 1.462 -11.546 -12.104 1.00 65.25 H new ATOM 0 HD13 LEU A 591 2.999 -10.652 -12.033 1.00 65.25 H new ATOM 0 HD21 LEU A 591 4.326 -12.153 -14.350 1.00 61.05 H new ATOM 0 HD22 LEU A 591 5.125 -11.801 -12.799 1.00 61.05 H new ATOM 0 HD23 LEU A 591 5.033 -13.476 -13.393 1.00 61.05 H new ATOM 1415 N GLU A 592 5.158 -15.007 -9.077 1.00 54.43 N ATOM 1416 CA GLU A 592 5.400 -15.343 -7.692 1.00 72.22 C ATOM 1417 C GLU A 592 5.487 -14.083 -6.858 1.00 74.42 C ATOM 1418 O GLU A 592 5.377 -12.972 -7.396 1.00 71.20 O ATOM 1419 CB GLU A 592 6.686 -16.154 -7.573 1.00 70.44 C ATOM 1420 CG GLU A 592 6.605 -17.522 -8.225 1.00 35.23 C ATOM 1421 CD GLU A 592 5.641 -18.445 -7.517 1.00 15.34 C ATOM 1422 OE1 GLU A 592 4.436 -18.429 -7.812 1.00 31.31 O ATOM 1423 OE2 GLU A 592 6.086 -19.243 -6.663 1.00 22.31 O ATOM 0 H GLU A 592 6.002 -14.774 -9.600 1.00 54.43 H new ATOM 0 HA GLU A 592 4.571 -15.945 -7.320 1.00 72.22 H new ATOM 0 HB2 GLU A 592 7.503 -15.593 -8.027 1.00 70.44 H new ATOM 0 HB3 GLU A 592 6.931 -16.278 -6.518 1.00 70.44 H new ATOM 0 HG2 GLU A 592 6.297 -17.408 -9.264 1.00 35.23 H new ATOM 0 HG3 GLU A 592 7.596 -17.975 -8.235 1.00 35.23 H new ATOM 1430 N GLU A 593 5.676 -14.250 -5.553 1.00 63.44 N ATOM 1431 CA GLU A 593 5.773 -13.126 -4.653 1.00 4.13 C ATOM 1432 C GLU A 593 7.053 -12.346 -4.941 1.00 51.44 C ATOM 1433 O GLU A 593 8.152 -12.905 -4.886 1.00 74.45 O ATOM 1434 CB GLU A 593 5.729 -13.579 -3.188 1.00 2.14 C ATOM 1435 CG GLU A 593 5.800 -12.423 -2.207 1.00 54.24 C ATOM 1436 CD GLU A 593 5.679 -12.842 -0.768 1.00 61.13 C ATOM 1437 OE1 GLU A 593 4.549 -12.890 -0.244 1.00 55.02 O ATOM 1438 OE2 GLU A 593 6.702 -13.096 -0.123 1.00 33.23 O ATOM 0 H GLU A 593 5.764 -15.161 -5.102 1.00 63.44 H new ATOM 0 HA GLU A 593 4.914 -12.475 -4.818 1.00 4.13 H new ATOM 0 HB2 GLU A 593 4.811 -14.140 -3.014 1.00 2.14 H new ATOM 0 HB3 GLU A 593 6.559 -14.260 -2.999 1.00 2.14 H new ATOM 0 HG2 GLU A 593 6.746 -11.899 -2.345 1.00 54.24 H new ATOM 0 HG3 GLU A 593 5.005 -11.713 -2.437 1.00 54.24 H new ATOM 1445 N PRO A 594 6.927 -11.060 -5.271 1.00 64.10 N ATOM 1446 CA PRO A 594 8.059 -10.238 -5.626 1.00 60.13 C ATOM 1447 C PRO A 594 8.953 -9.872 -4.436 1.00 24.52 C ATOM 1448 O PRO A 594 8.576 -10.039 -3.258 1.00 70.52 O ATOM 1449 CB PRO A 594 7.422 -8.987 -6.232 1.00 40.11 C ATOM 1450 CG PRO A 594 6.090 -8.900 -5.598 1.00 24.45 C ATOM 1451 CD PRO A 594 5.658 -10.306 -5.336 1.00 25.43 C ATOM 0 HA PRO A 594 8.729 -10.766 -6.305 1.00 60.13 H new ATOM 0 HB2 PRO A 594 8.018 -8.099 -6.024 1.00 40.11 H new ATOM 0 HB3 PRO A 594 7.340 -9.070 -7.316 1.00 40.11 H new ATOM 0 HG2 PRO A 594 6.137 -8.329 -4.671 1.00 24.45 H new ATOM 0 HG3 PRO A 594 5.381 -8.391 -6.251 1.00 24.45 H new ATOM 0 HD2 PRO A 594 5.098 -10.385 -4.404 1.00 25.43 H new ATOM 0 HD3 PRO A 594 5.011 -10.680 -6.130 1.00 25.43 H new ATOM 1459 N LYS A 595 10.137 -9.410 -4.758 1.00 61.35 N ATOM 1460 CA LYS A 595 11.113 -8.968 -3.780 1.00 33.33 C ATOM 1461 C LYS A 595 11.379 -7.511 -3.980 1.00 3.24 C ATOM 1462 O LYS A 595 11.447 -7.051 -5.103 1.00 43.41 O ATOM 1463 CB LYS A 595 12.438 -9.699 -3.958 1.00 65.11 C ATOM 1464 CG LYS A 595 12.338 -11.185 -3.892 1.00 44.11 C ATOM 1465 CD LYS A 595 11.848 -11.630 -2.524 1.00 75.33 C ATOM 1466 CE LYS A 595 11.710 -13.130 -2.424 1.00 62.15 C ATOM 1467 NZ LYS A 595 11.201 -13.535 -1.098 1.00 14.31 N ATOM 0 H LYS A 595 10.459 -9.328 -5.722 1.00 61.35 H new ATOM 0 HA LYS A 595 10.711 -9.172 -2.788 1.00 33.33 H new ATOM 0 HB2 LYS A 595 12.867 -9.419 -4.920 1.00 65.11 H new ATOM 0 HB3 LYS A 595 13.132 -9.360 -3.189 1.00 65.11 H new ATOM 0 HG2 LYS A 595 11.655 -11.543 -4.663 1.00 44.11 H new ATOM 0 HG3 LYS A 595 13.312 -11.630 -4.097 1.00 44.11 H new ATOM 0 HD2 LYS A 595 12.542 -11.280 -1.760 1.00 75.33 H new ATOM 0 HD3 LYS A 595 10.885 -11.164 -2.317 1.00 75.33 H new ATOM 0 HE2 LYS A 595 11.034 -13.488 -3.200 1.00 62.15 H new ATOM 0 HE3 LYS A 595 12.677 -13.599 -2.603 1.00 62.15 H new ATOM 0 HZ1 LYS A 595 11.117 -14.571 -1.060 1.00 14.31 H new ATOM 0 HZ2 LYS A 595 11.860 -13.214 -0.360 1.00 14.31 H new ATOM 0 HZ3 LYS A 595 10.267 -13.106 -0.939 1.00 14.31 H new ATOM 1481 N TRP A 596 11.527 -6.806 -2.920 1.00 21.22 N ATOM 1482 CA TRP A 596 11.854 -5.410 -2.990 1.00 71.25 C ATOM 1483 C TRP A 596 13.232 -5.246 -2.412 1.00 12.51 C ATOM 1484 O TRP A 596 13.440 -5.435 -1.209 1.00 63.31 O ATOM 1485 CB TRP A 596 10.842 -4.565 -2.204 1.00 44.45 C ATOM 1486 CG TRP A 596 10.952 -3.066 -2.384 1.00 43.00 C ATOM 1487 CD1 TRP A 596 12.008 -2.343 -2.877 1.00 35.31 C ATOM 1488 CD2 TRP A 596 9.948 -2.113 -2.052 1.00 51.13 C ATOM 1489 NE1 TRP A 596 11.710 -1.010 -2.859 1.00 41.01 N ATOM 1490 CE2 TRP A 596 10.454 -0.843 -2.359 1.00 75.51 C ATOM 1491 CE3 TRP A 596 8.666 -2.213 -1.519 1.00 60.21 C ATOM 1492 CZ2 TRP A 596 9.726 0.314 -2.153 1.00 61.41 C ATOM 1493 CZ3 TRP A 596 7.944 -1.054 -1.318 1.00 42.00 C ATOM 1494 CH2 TRP A 596 8.482 0.193 -1.634 1.00 73.11 C ATOM 0 H TRP A 596 11.427 -7.171 -1.973 1.00 21.22 H new ATOM 0 HA TRP A 596 11.822 -5.068 -4.024 1.00 71.25 H new ATOM 0 HB2 TRP A 596 9.837 -4.874 -2.493 1.00 44.45 H new ATOM 0 HB3 TRP A 596 10.953 -4.793 -1.144 1.00 44.45 H new ATOM 0 HD1 TRP A 596 12.938 -2.765 -3.228 1.00 35.31 H new ATOM 0 HE1 TRP A 596 12.328 -0.261 -3.170 1.00 41.01 H new ATOM 0 HE3 TRP A 596 8.246 -3.176 -1.268 1.00 60.21 H new ATOM 0 HZ2 TRP A 596 10.136 1.282 -2.398 1.00 61.41 H new ATOM 0 HZ3 TRP A 596 6.946 -1.114 -0.909 1.00 42.00 H new ATOM 0 HH2 TRP A 596 7.893 1.082 -1.461 1.00 73.11 H new ATOM 1505 N ILE A 597 14.157 -4.960 -3.251 1.00 1.33 N ATOM 1506 CA ILE A 597 15.502 -4.758 -2.852 1.00 22.03 C ATOM 1507 C ILE A 597 15.709 -3.264 -2.675 1.00 20.44 C ATOM 1508 O ILE A 597 15.997 -2.537 -3.620 1.00 50.53 O ATOM 1509 CB ILE A 597 16.541 -5.360 -3.876 1.00 41.50 C ATOM 1510 CG1 ILE A 597 16.455 -6.901 -3.990 1.00 53.54 C ATOM 1511 CG2 ILE A 597 17.950 -4.964 -3.523 1.00 42.31 C ATOM 1512 CD1 ILE A 597 15.230 -7.436 -4.693 1.00 44.22 C ATOM 0 H ILE A 597 13.999 -4.857 -4.253 1.00 1.33 H new ATOM 0 HA ILE A 597 15.679 -5.287 -1.916 1.00 22.03 H new ATOM 0 HB ILE A 597 16.275 -4.939 -4.846 1.00 41.50 H new ATOM 0 HG12 ILE A 597 17.340 -7.258 -4.517 1.00 53.54 H new ATOM 0 HG13 ILE A 597 16.490 -7.324 -2.986 1.00 53.54 H new ATOM 0 HG21 ILE A 597 18.641 -5.395 -4.247 1.00 42.31 H new ATOM 0 HG22 ILE A 597 18.038 -3.878 -3.539 1.00 42.31 H new ATOM 0 HG23 ILE A 597 18.193 -5.333 -2.526 1.00 42.31 H new ATOM 0 HD11 ILE A 597 15.271 -8.525 -4.717 1.00 44.22 H new ATOM 0 HD12 ILE A 597 14.335 -7.118 -4.158 1.00 44.22 H new ATOM 0 HD13 ILE A 597 15.198 -7.051 -5.712 1.00 44.22 H new ATOM 2107 N ILE A 634 4.040 -6.745 -3.477 1.00 0.41 N ATOM 2108 CA ILE A 634 2.970 -7.679 -3.703 1.00 10.22 C ATOM 2109 C ILE A 634 2.626 -7.736 -5.173 1.00 74.43 C ATOM 2110 O ILE A 634 3.285 -7.104 -5.996 1.00 44.34 O ATOM 2111 CB ILE A 634 1.711 -7.301 -2.867 1.00 44.01 C ATOM 2112 CG1 ILE A 634 1.265 -5.856 -3.170 1.00 31.51 C ATOM 2113 CG2 ILE A 634 1.993 -7.484 -1.379 1.00 73.12 C ATOM 2114 CD1 ILE A 634 0.016 -5.417 -2.435 1.00 34.43 C ATOM 0 HA ILE A 634 3.307 -8.664 -3.381 1.00 10.22 H new ATOM 0 HB ILE A 634 0.895 -7.967 -3.148 1.00 44.01 H new ATOM 0 HG12 ILE A 634 2.079 -5.177 -2.915 1.00 31.51 H new ATOM 0 HG13 ILE A 634 1.093 -5.759 -4.242 1.00 31.51 H new ATOM 0 HG21 ILE A 634 1.106 -7.217 -0.805 1.00 73.12 H new ATOM 0 HG22 ILE A 634 2.252 -8.524 -1.183 1.00 73.12 H new ATOM 0 HG23 ILE A 634 2.823 -6.842 -1.084 1.00 73.12 H new ATOM 0 HD11 ILE A 634 -0.224 -4.389 -2.708 1.00 34.43 H new ATOM 0 HD12 ILE A 634 -0.814 -6.068 -2.708 1.00 34.43 H new ATOM 0 HD13 ILE A 634 0.186 -5.477 -1.360 1.00 34.43 H new ATOM 2126 N LEU A 635 1.648 -8.509 -5.510 1.00 51.22 N ATOM 2127 CA LEU A 635 1.199 -8.587 -6.856 1.00 21.04 C ATOM 2128 C LEU A 635 -0.308 -8.650 -6.865 1.00 50.11 C ATOM 2129 O LEU A 635 -0.945 -8.369 -5.835 1.00 22.03 O ATOM 2130 CB LEU A 635 1.828 -9.764 -7.652 1.00 3.55 C ATOM 2131 CG LEU A 635 1.519 -11.204 -7.210 1.00 74.43 C ATOM 2132 CD1 LEU A 635 1.852 -12.129 -8.340 1.00 23.52 C ATOM 2133 CD2 LEU A 635 2.361 -11.610 -6.030 1.00 63.41 C ATOM 0 H LEU A 635 1.138 -9.105 -4.857 1.00 51.22 H new ATOM 0 HA LEU A 635 1.535 -7.689 -7.374 1.00 21.04 H new ATOM 0 HB2 LEU A 635 1.516 -9.664 -8.692 1.00 3.55 H new ATOM 0 HB3 LEU A 635 2.910 -9.637 -7.630 1.00 3.55 H new ATOM 0 HG LEU A 635 0.466 -11.257 -6.933 1.00 74.43 H new ATOM 0 HD11 LEU A 635 1.639 -13.156 -8.044 1.00 23.52 H new ATOM 0 HD12 LEU A 635 1.251 -11.870 -9.211 1.00 23.52 H new ATOM 0 HD13 LEU A 635 2.909 -12.035 -8.588 1.00 23.52 H new ATOM 0 HD21 LEU A 635 2.117 -12.633 -5.744 1.00 63.41 H new ATOM 0 HD22 LEU A 635 3.416 -11.550 -6.298 1.00 63.41 H new ATOM 0 HD23 LEU A 635 2.161 -10.941 -5.193 1.00 63.41 H new ATOM 2145 N GLY A 636 -0.883 -8.964 -8.009 1.00 24.24 N ATOM 2146 CA GLY A 636 -2.309 -9.051 -8.108 1.00 21.21 C ATOM 2147 C GLY A 636 -2.880 -10.198 -7.300 1.00 14.03 C ATOM 2148 O GLY A 636 -2.162 -11.144 -6.946 1.00 13.10 O ATOM 0 H GLY A 636 -0.379 -9.161 -8.874 1.00 24.24 H new ATOM 0 HA2 GLY A 636 -2.751 -8.115 -7.766 1.00 21.21 H new ATOM 0 HA3 GLY A 636 -2.590 -9.173 -9.154 1.00 21.21 H new ATOM 2152 N GLU A 637 -4.157 -10.089 -7.007 1.00 42.01 N ATOM 2153 CA GLU A 637 -4.921 -11.056 -6.232 1.00 21.44 C ATOM 2154 C GLU A 637 -4.772 -12.446 -6.835 1.00 22.43 C ATOM 2155 O GLU A 637 -4.206 -13.360 -6.222 1.00 51.11 O ATOM 2156 CB GLU A 637 -6.380 -10.624 -6.295 1.00 1.41 C ATOM 2157 CG GLU A 637 -7.326 -11.393 -5.417 1.00 55.24 C ATOM 2158 CD GLU A 637 -8.739 -10.956 -5.646 1.00 3.10 C ATOM 2159 OE1 GLU A 637 -9.135 -9.899 -5.110 1.00 54.23 O ATOM 2160 OE2 GLU A 637 -9.467 -11.624 -6.402 1.00 53.43 O ATOM 0 H GLU A 637 -4.719 -9.294 -7.312 1.00 42.01 H new ATOM 0 HA GLU A 637 -4.565 -11.093 -5.202 1.00 21.44 H new ATOM 0 HB2 GLU A 637 -6.439 -9.569 -6.026 1.00 1.41 H new ATOM 0 HB3 GLU A 637 -6.721 -10.709 -7.327 1.00 1.41 H new ATOM 0 HG2 GLU A 637 -7.233 -12.460 -5.621 1.00 55.24 H new ATOM 0 HG3 GLU A 637 -7.060 -11.245 -4.370 1.00 55.24 H new ATOM 2167 N HIS A 638 -5.271 -12.584 -8.034 1.00 54.22 N ATOM 2168 CA HIS A 638 -5.219 -13.794 -8.777 1.00 11.53 C ATOM 2169 C HIS A 638 -4.713 -13.471 -10.149 1.00 74.32 C ATOM 2170 O HIS A 638 -5.424 -12.869 -10.956 1.00 32.11 O ATOM 2171 CB HIS A 638 -6.618 -14.441 -8.841 1.00 14.24 C ATOM 2172 CG HIS A 638 -7.131 -14.804 -7.490 1.00 30.04 C ATOM 2173 ND1 HIS A 638 -8.211 -14.217 -6.865 1.00 33.41 N ATOM 2174 CD2 HIS A 638 -6.639 -15.682 -6.625 1.00 11.34 C ATOM 2175 CE1 HIS A 638 -8.323 -14.753 -5.652 1.00 2.42 C ATOM 2176 NE2 HIS A 638 -7.391 -15.664 -5.455 1.00 74.45 N ATOM 0 H HIS A 638 -5.739 -11.825 -8.529 1.00 54.22 H new ATOM 0 HA HIS A 638 -4.551 -14.509 -8.297 1.00 11.53 H new ATOM 0 HB2 HIS A 638 -7.314 -13.752 -9.319 1.00 14.24 H new ATOM 0 HB3 HIS A 638 -6.575 -15.334 -9.464 1.00 14.24 H new ATOM 0 HD1 HIS A 638 -8.817 -13.499 -7.262 1.00 33.41 H new ATOM 0 HD2 HIS A 638 -5.783 -16.316 -6.803 1.00 11.34 H new ATOM 0 HE1 HIS A 638 -9.075 -14.479 -4.927 1.00 2.42 H new ATOM 2184 N THR A 639 -3.484 -13.794 -10.397 1.00 55.52 N ATOM 2185 CA THR A 639 -2.910 -13.520 -11.649 1.00 33.31 C ATOM 2186 C THR A 639 -2.242 -14.776 -12.214 1.00 35.54 C ATOM 2187 O THR A 639 -1.289 -15.342 -11.645 1.00 54.45 O ATOM 2188 CB THR A 639 -1.980 -12.265 -11.621 1.00 43.50 C ATOM 2189 OG1 THR A 639 -1.596 -11.903 -12.951 1.00 71.44 O ATOM 2190 CG2 THR A 639 -0.747 -12.471 -10.759 1.00 32.33 C ATOM 0 H THR A 639 -2.862 -14.253 -9.731 1.00 55.52 H new ATOM 0 HA THR A 639 -3.707 -13.248 -12.341 1.00 33.31 H new ATOM 0 HB THR A 639 -2.553 -11.454 -11.172 1.00 43.50 H new ATOM 0 HG1 THR A 639 -1.030 -12.607 -13.331 1.00 71.44 H new ATOM 0 HG21 THR A 639 -0.137 -11.568 -10.776 1.00 32.33 H new ATOM 0 HG22 THR A 639 -1.051 -12.685 -9.734 1.00 32.33 H new ATOM 0 HG23 THR A 639 -0.167 -13.308 -11.148 1.00 32.33 H new ATOM 2198 N LYS A 640 -2.803 -15.241 -13.286 1.00 73.22 N ATOM 2199 CA LYS A 640 -2.371 -16.414 -13.956 1.00 30.10 C ATOM 2200 C LYS A 640 -2.562 -16.164 -15.424 1.00 73.22 C ATOM 2201 O LYS A 640 -3.434 -15.383 -15.807 1.00 12.55 O ATOM 2202 CB LYS A 640 -3.239 -17.611 -13.531 1.00 45.33 C ATOM 2203 CG LYS A 640 -2.793 -18.958 -14.105 1.00 31.04 C ATOM 2204 CD LYS A 640 -3.827 -20.053 -13.871 1.00 34.24 C ATOM 2205 CE LYS A 640 -4.138 -20.271 -12.395 1.00 61.53 C ATOM 2206 NZ LYS A 640 -5.261 -21.213 -12.212 1.00 61.42 N ATOM 0 H LYS A 640 -3.604 -14.793 -13.730 1.00 73.22 H new ATOM 0 HA LYS A 640 -1.332 -16.639 -13.717 1.00 30.10 H new ATOM 0 HB2 LYS A 640 -3.237 -17.676 -12.443 1.00 45.33 H new ATOM 0 HB3 LYS A 640 -4.268 -17.423 -13.837 1.00 45.33 H new ATOM 0 HG2 LYS A 640 -2.612 -18.853 -15.175 1.00 31.04 H new ATOM 0 HG3 LYS A 640 -1.847 -19.250 -13.649 1.00 31.04 H new ATOM 0 HD2 LYS A 640 -4.747 -19.795 -14.396 1.00 34.24 H new ATOM 0 HD3 LYS A 640 -3.464 -20.986 -14.302 1.00 34.24 H new ATOM 0 HE2 LYS A 640 -3.253 -20.656 -11.888 1.00 61.53 H new ATOM 0 HE3 LYS A 640 -4.383 -19.317 -11.929 1.00 61.53 H new ATOM 0 HZ1 LYS A 640 -5.446 -21.339 -11.196 1.00 61.42 H new ATOM 0 HZ2 LYS A 640 -6.111 -20.833 -12.675 1.00 61.42 H new ATOM 0 HZ3 LYS A 640 -5.017 -22.131 -12.636 1.00 61.42 H new ATOM 2220 N LEU A 641 -1.742 -16.741 -16.216 1.00 4.30 N ATOM 2221 CA LEU A 641 -1.886 -16.662 -17.622 1.00 10.20 C ATOM 2222 C LEU A 641 -1.886 -18.045 -18.175 1.00 71.53 C ATOM 2223 O LEU A 641 -0.883 -18.742 -18.114 1.00 3.24 O ATOM 2224 CB LEU A 641 -0.756 -15.861 -18.246 1.00 40.42 C ATOM 2225 CG LEU A 641 -0.818 -15.718 -19.763 1.00 33.22 C ATOM 2226 CD1 LEU A 641 -2.022 -14.899 -20.184 1.00 34.34 C ATOM 2227 CD2 LEU A 641 0.453 -15.116 -20.290 1.00 20.13 C ATOM 0 H LEU A 641 -0.940 -17.289 -15.905 1.00 4.30 H new ATOM 0 HA LEU A 641 -2.823 -16.156 -17.856 1.00 10.20 H new ATOM 0 HB2 LEU A 641 -0.752 -14.865 -17.804 1.00 40.42 H new ATOM 0 HB3 LEU A 641 0.191 -16.332 -17.980 1.00 40.42 H new ATOM 0 HG LEU A 641 -0.927 -16.714 -20.193 1.00 33.22 H new ATOM 0 HD11 LEU A 641 -2.042 -14.813 -21.270 1.00 34.34 H new ATOM 0 HD12 LEU A 641 -2.933 -15.390 -19.842 1.00 34.34 H new ATOM 0 HD13 LEU A 641 -1.958 -13.905 -19.742 1.00 34.34 H new ATOM 0 HD21 LEU A 641 0.389 -15.022 -21.374 1.00 20.13 H new ATOM 0 HD22 LEU A 641 0.599 -14.130 -19.848 1.00 20.13 H new ATOM 0 HD23 LEU A 641 1.295 -15.758 -20.030 1.00 20.13 H new ATOM 2239 N GLU A 642 -2.997 -18.466 -18.638 1.00 73.14 N ATOM 2240 CA GLU A 642 -3.085 -19.727 -19.271 1.00 12.12 C ATOM 2241 C GLU A 642 -2.748 -19.528 -20.714 1.00 11.44 C ATOM 2242 O GLU A 642 -3.309 -18.650 -21.373 1.00 33.45 O ATOM 2243 CB GLU A 642 -4.460 -20.309 -19.094 1.00 10.01 C ATOM 2244 CG GLU A 642 -4.830 -20.473 -17.638 1.00 45.24 C ATOM 2245 CD GLU A 642 -6.199 -21.025 -17.448 1.00 14.23 C ATOM 2246 OE1 GLU A 642 -6.348 -22.268 -17.466 1.00 50.24 O ATOM 2247 OE2 GLU A 642 -7.147 -20.240 -17.284 1.00 44.10 O ATOM 0 H GLU A 642 -3.875 -17.948 -18.591 1.00 73.14 H new ATOM 0 HA GLU A 642 -2.388 -20.437 -18.826 1.00 12.12 H new ATOM 0 HB2 GLU A 642 -5.191 -19.664 -19.582 1.00 10.01 H new ATOM 0 HB3 GLU A 642 -4.509 -21.278 -19.590 1.00 10.01 H new ATOM 0 HG2 GLU A 642 -4.108 -21.132 -17.157 1.00 45.24 H new ATOM 0 HG3 GLU A 642 -4.761 -19.506 -17.139 1.00 45.24 H new ATOM 2254 N VAL A 643 -1.815 -20.283 -21.182 1.00 34.23 N ATOM 2255 CA VAL A 643 -1.333 -20.154 -22.523 1.00 12.50 C ATOM 2256 C VAL A 643 -1.694 -21.385 -23.292 1.00 53.41 C ATOM 2257 O VAL A 643 -1.345 -22.511 -22.907 1.00 62.12 O ATOM 2258 CB VAL A 643 0.194 -19.920 -22.584 1.00 34.21 C ATOM 2259 CG1 VAL A 643 0.645 -19.692 -24.017 1.00 64.41 C ATOM 2260 CG2 VAL A 643 0.611 -18.753 -21.701 1.00 61.44 C ATOM 0 H VAL A 643 -1.357 -21.017 -20.642 1.00 34.23 H new ATOM 0 HA VAL A 643 -1.805 -19.276 -22.965 1.00 12.50 H new ATOM 0 HB VAL A 643 0.683 -20.818 -22.205 1.00 34.21 H new ATOM 0 HG11 VAL A 643 1.723 -19.529 -24.038 1.00 64.41 H new ATOM 0 HG12 VAL A 643 0.398 -20.566 -24.620 1.00 64.41 H new ATOM 0 HG13 VAL A 643 0.138 -18.817 -24.423 1.00 64.41 H new ATOM 0 HG21 VAL A 643 1.690 -18.615 -21.766 1.00 61.44 H new ATOM 0 HG22 VAL A 643 0.108 -17.846 -22.036 1.00 61.44 H new ATOM 0 HG23 VAL A 643 0.334 -18.961 -20.668 1.00 61.44 H new ATOM 2270 N ILE A 644 -2.401 -21.175 -24.344 1.00 52.41 N ATOM 2271 CA ILE A 644 -2.894 -22.230 -25.155 1.00 43.03 C ATOM 2272 C ILE A 644 -2.194 -22.218 -26.509 1.00 71.15 C ATOM 2273 O ILE A 644 -1.992 -21.161 -27.101 1.00 73.23 O ATOM 2274 CB ILE A 644 -4.444 -22.123 -25.334 1.00 73.13 C ATOM 2275 CG1 ILE A 644 -5.191 -22.259 -23.983 1.00 3.13 C ATOM 2276 CG2 ILE A 644 -4.964 -23.151 -26.314 1.00 43.21 C ATOM 2277 CD1 ILE A 644 -5.235 -21.013 -23.121 1.00 42.24 C ATOM 0 H ILE A 644 -2.659 -20.244 -24.672 1.00 52.41 H new ATOM 0 HA ILE A 644 -2.681 -23.176 -24.657 1.00 43.03 H new ATOM 0 HB ILE A 644 -4.640 -21.129 -25.736 1.00 73.13 H new ATOM 0 HG12 ILE A 644 -6.215 -22.573 -24.186 1.00 3.13 H new ATOM 0 HG13 ILE A 644 -4.721 -23.058 -23.409 1.00 3.13 H new ATOM 0 HG21 ILE A 644 -6.044 -23.046 -26.412 1.00 43.21 H new ATOM 0 HG22 ILE A 644 -4.494 -22.998 -27.286 1.00 43.21 H new ATOM 0 HG23 ILE A 644 -4.728 -24.151 -25.951 1.00 43.21 H new ATOM 0 HD11 ILE A 644 -5.782 -21.225 -22.202 1.00 42.24 H new ATOM 0 HD12 ILE A 644 -4.219 -20.704 -22.875 1.00 42.24 H new ATOM 0 HD13 ILE A 644 -5.736 -20.212 -23.665 1.00 42.24 H new ATOM 2289 N ILE A 645 -1.798 -23.381 -26.962 1.00 23.41 N ATOM 2290 CA ILE A 645 -1.149 -23.549 -28.237 1.00 63.54 C ATOM 2291 C ILE A 645 -1.868 -24.595 -29.052 1.00 50.40 C ATOM 2292 O ILE A 645 -2.502 -25.488 -28.483 1.00 70.51 O ATOM 2293 CB ILE A 645 0.375 -23.903 -28.137 1.00 74.15 C ATOM 2294 CG1 ILE A 645 0.714 -24.910 -26.993 1.00 25.33 C ATOM 2295 CG2 ILE A 645 1.208 -22.656 -28.032 1.00 10.52 C ATOM 2296 CD1 ILE A 645 0.816 -24.309 -25.591 1.00 43.13 C ATOM 0 H ILE A 645 -1.920 -24.252 -26.446 1.00 23.41 H new ATOM 0 HA ILE A 645 -1.203 -22.579 -28.731 1.00 63.54 H new ATOM 0 HB ILE A 645 0.627 -24.418 -29.064 1.00 74.15 H new ATOM 0 HG12 ILE A 645 -0.049 -25.688 -26.980 1.00 25.33 H new ATOM 0 HG13 ILE A 645 1.660 -25.396 -27.230 1.00 25.33 H new ATOM 0 HG21 ILE A 645 2.262 -22.927 -27.964 1.00 10.52 H new ATOM 0 HG22 ILE A 645 1.049 -22.037 -28.915 1.00 10.52 H new ATOM 0 HG23 ILE A 645 0.918 -22.099 -27.141 1.00 10.52 H new ATOM 0 HD11 ILE A 645 1.055 -25.095 -24.875 1.00 43.13 H new ATOM 0 HD12 ILE A 645 1.601 -23.553 -25.575 1.00 43.13 H new ATOM 0 HD13 ILE A 645 -0.135 -23.850 -25.322 1.00 43.13 H new