USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 545 THR OG1 : rot -28:sc= 1.3 USER MOD Set 1.2: A 583 LYS NZ :NH3+ -173:sc= 1.22 (180deg=0) USER MOD Set 2.1: A 539 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 556 THR OG1 : rot -97:sc= 0.238 USER MOD Single : A 506 THR OG1 : rot 21:sc= 0.851 USER MOD Single : A 512 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 513 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.9!) USER MOD Single : A 515 SER OG : rot 170:sc= 0.392 USER MOD Single : A 517 SER OG : rot -47:sc= 0.183 USER MOD Single : A 521 MET CE :methyl 141:sc= -4.48! (180deg=-5.48!) USER MOD Single : A 524 LYS NZ :NH3+ 169:sc=-0.00942 (180deg=-0.187) USER MOD Single : A 528 THR OG1 : rot 32:sc= -2.3! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -2.78! K(o=-2.8!,f=-1.3) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 THR OG1 : rot 46:sc= 0.385 USER MOD Single : A 557 CYS SG : rot 40:sc= -0.0619 USER MOD Single : A 563 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 564 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 THR OG1 : rot 161:sc= 1.24 USER MOD Single : A 572 SER OG : rot 42:sc= 0.0833 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 584 ASN : amide:sc= 0.608 K(o=0.61,f=-5.6!) USER MOD Single : A 585 LYS NZ :NH3+ -149:sc= 1.69 (180deg=0.0393) USER MOD Single : A 586 THR OG1 : rot 28:sc= 1.11 USER MOD Single : A 639 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.26) USER MOD Single : A 640 THR OG1 : rot 52:sc= 0.0898 USER MOD Single : A 641 LYS NZ :NH3+ 168:sc= -0.0221 (180deg=-0.19) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -5.392 -12.842 -3.713 1.00 25.04 N ATOM 29 CA GLY A 503 -5.113 -11.923 -2.693 1.00 23.55 C ATOM 30 C GLY A 503 -5.637 -10.589 -3.033 1.00 62.25 C ATOM 31 O GLY A 503 -5.661 -10.209 -4.197 1.00 21.23 O ATOM 0 HA2 GLY A 503 -5.556 -12.265 -1.758 1.00 23.55 H new ATOM 0 HA3 GLY A 503 -4.036 -11.866 -2.533 1.00 23.55 H new ATOM 35 N ILE A 504 -6.121 -9.920 -2.041 1.00 22.30 N ATOM 36 CA ILE A 504 -6.618 -8.596 -2.175 1.00 72.51 C ATOM 37 C ILE A 504 -5.891 -7.766 -1.156 1.00 13.51 C ATOM 38 O ILE A 504 -6.142 -7.886 0.029 1.00 30.12 O ATOM 39 CB ILE A 504 -8.170 -8.464 -1.928 1.00 33.13 C ATOM 40 CG1 ILE A 504 -9.031 -9.282 -2.930 1.00 40.54 C ATOM 41 CG2 ILE A 504 -8.585 -7.004 -1.971 1.00 54.40 C ATOM 42 CD1 ILE A 504 -9.072 -10.781 -2.686 1.00 60.10 C ATOM 0 H ILE A 504 -6.183 -10.290 -1.092 1.00 22.30 H new ATOM 0 HA ILE A 504 -6.452 -8.269 -3.202 1.00 72.51 H new ATOM 0 HB ILE A 504 -8.357 -8.883 -0.939 1.00 33.13 H new ATOM 0 HG12 ILE A 504 -10.051 -8.899 -2.902 1.00 40.54 H new ATOM 0 HG13 ILE A 504 -8.651 -9.106 -3.936 1.00 40.54 H new ATOM 0 HG21 ILE A 504 -9.659 -6.926 -1.799 1.00 54.40 H new ATOM 0 HG22 ILE A 504 -8.052 -6.451 -1.197 1.00 54.40 H new ATOM 0 HG23 ILE A 504 -8.342 -6.585 -2.948 1.00 54.40 H new ATOM 0 HD11 ILE A 504 -9.699 -11.255 -3.441 1.00 60.10 H new ATOM 0 HD12 ILE A 504 -8.062 -11.187 -2.746 1.00 60.10 H new ATOM 0 HD13 ILE A 504 -9.484 -10.977 -1.696 1.00 60.10 H new ATOM 54 N PHE A 505 -4.938 -7.020 -1.601 1.00 62.33 N ATOM 55 CA PHE A 505 -4.184 -6.165 -0.729 1.00 40.20 C ATOM 56 C PHE A 505 -4.290 -4.763 -1.247 1.00 25.30 C ATOM 57 O PHE A 505 -3.722 -4.426 -2.289 1.00 1.05 O ATOM 58 CB PHE A 505 -2.721 -6.610 -0.648 1.00 72.03 C ATOM 59 CG PHE A 505 -2.542 -8.011 -0.119 1.00 14.32 C ATOM 60 CD1 PHE A 505 -2.715 -8.286 1.227 1.00 44.12 C ATOM 61 CD2 PHE A 505 -2.201 -9.049 -0.969 1.00 13.02 C ATOM 62 CE1 PHE A 505 -2.555 -9.568 1.712 1.00 12.05 C ATOM 63 CE2 PHE A 505 -2.038 -10.333 -0.490 1.00 64.12 C ATOM 64 CZ PHE A 505 -2.216 -10.593 0.853 1.00 3.31 C ATOM 0 H PHE A 505 -4.654 -6.981 -2.580 1.00 62.33 H new ATOM 0 HA PHE A 505 -4.587 -6.220 0.282 1.00 40.20 H new ATOM 0 HB2 PHE A 505 -2.276 -6.546 -1.641 1.00 72.03 H new ATOM 0 HB3 PHE A 505 -2.174 -5.917 -0.008 1.00 72.03 H new ATOM 0 HD1 PHE A 505 -2.978 -7.488 1.905 1.00 44.12 H new ATOM 0 HD2 PHE A 505 -2.061 -8.851 -2.021 1.00 13.02 H new ATOM 0 HE1 PHE A 505 -2.695 -9.769 2.764 1.00 12.05 H new ATOM 0 HE2 PHE A 505 -1.772 -11.133 -1.165 1.00 64.12 H new ATOM 0 HZ PHE A 505 -2.090 -11.597 1.231 1.00 3.31 H new ATOM 74 N THR A 506 -5.048 -3.973 -0.579 1.00 15.02 N ATOM 75 CA THR A 506 -5.292 -2.641 -1.006 1.00 41.20 C ATOM 76 C THR A 506 -5.282 -1.745 0.213 1.00 61.25 C ATOM 77 O THR A 506 -5.421 -2.233 1.347 1.00 61.11 O ATOM 78 CB THR A 506 -6.679 -2.548 -1.758 1.00 13.32 C ATOM 79 OG1 THR A 506 -6.886 -1.248 -2.333 1.00 75.33 O ATOM 80 CG2 THR A 506 -7.850 -2.873 -0.831 1.00 74.11 C ATOM 0 H THR A 506 -5.521 -4.233 0.286 1.00 15.02 H new ATOM 0 HA THR A 506 -4.518 -2.323 -1.704 1.00 41.20 H new ATOM 0 HB THR A 506 -6.641 -3.289 -2.556 1.00 13.32 H new ATOM 0 HG1 THR A 506 -6.023 -0.795 -2.437 1.00 75.33 H new ATOM 0 HG21 THR A 506 -8.785 -2.798 -1.386 1.00 74.11 H new ATOM 0 HG22 THR A 506 -7.738 -3.886 -0.444 1.00 74.11 H new ATOM 0 HG23 THR A 506 -7.863 -2.167 -0.000 1.00 74.11 H new ATOM 88 N PHE A 507 -5.080 -0.479 0.003 1.00 54.20 N ATOM 89 CA PHE A 507 -5.151 0.464 1.077 1.00 12.12 C ATOM 90 C PHE A 507 -6.581 0.856 1.268 1.00 63.23 C ATOM 91 O PHE A 507 -7.393 0.724 0.344 1.00 33.14 O ATOM 92 CB PHE A 507 -4.300 1.699 0.798 1.00 51.02 C ATOM 93 CG PHE A 507 -2.828 1.436 0.797 1.00 40.33 C ATOM 94 CD1 PHE A 507 -2.138 1.370 1.990 1.00 22.24 C ATOM 95 CD2 PHE A 507 -2.136 1.254 -0.386 1.00 54.35 C ATOM 96 CE1 PHE A 507 -0.788 1.130 2.009 1.00 12.15 C ATOM 97 CE2 PHE A 507 -0.778 1.010 -0.376 1.00 54.35 C ATOM 98 CZ PHE A 507 -0.105 0.950 0.827 1.00 25.00 C ATOM 0 H PHE A 507 -4.864 -0.074 -0.908 1.00 54.20 H new ATOM 0 HA PHE A 507 -4.759 0.000 1.982 1.00 12.12 H new ATOM 0 HB2 PHE A 507 -4.585 2.113 -0.169 1.00 51.02 H new ATOM 0 HB3 PHE A 507 -4.523 2.458 1.548 1.00 51.02 H new ATOM 0 HD1 PHE A 507 -2.668 1.509 2.921 1.00 22.24 H new ATOM 0 HD2 PHE A 507 -2.664 1.303 -1.327 1.00 54.35 H new ATOM 0 HE1 PHE A 507 -0.261 1.082 2.950 1.00 12.15 H new ATOM 0 HE2 PHE A 507 -0.245 0.867 -1.304 1.00 54.35 H new ATOM 0 HZ PHE A 507 0.958 0.762 0.842 1.00 25.00 H new ATOM 108 N GLU A 508 -6.912 1.252 2.462 1.00 41.32 N ATOM 109 CA GLU A 508 -8.240 1.716 2.754 1.00 10.14 C ATOM 110 C GLU A 508 -8.380 3.155 2.219 1.00 41.13 C ATOM 111 O GLU A 508 -9.429 3.558 1.732 1.00 74.54 O ATOM 112 CB GLU A 508 -8.470 1.603 4.277 1.00 71.41 C ATOM 113 CG GLU A 508 -9.920 1.478 4.727 1.00 41.55 C ATOM 114 CD GLU A 508 -10.742 2.726 4.568 1.00 14.15 C ATOM 115 OE1 GLU A 508 -10.551 3.682 5.355 1.00 13.41 O ATOM 116 OE2 GLU A 508 -11.608 2.775 3.672 1.00 70.11 O ATOM 0 H GLU A 508 -6.274 1.263 3.258 1.00 41.32 H new ATOM 0 HA GLU A 508 -9.007 1.114 2.266 1.00 10.14 H new ATOM 0 HB2 GLU A 508 -7.921 0.736 4.644 1.00 71.41 H new ATOM 0 HB3 GLU A 508 -8.036 2.481 4.756 1.00 71.41 H new ATOM 0 HG2 GLU A 508 -10.393 0.675 4.162 1.00 41.55 H new ATOM 0 HG3 GLU A 508 -9.935 1.182 5.776 1.00 41.55 H new ATOM 123 N GLU A 509 -7.288 3.886 2.245 1.00 70.53 N ATOM 124 CA GLU A 509 -7.262 5.239 1.747 1.00 64.04 C ATOM 125 C GLU A 509 -6.029 5.416 0.860 1.00 42.32 C ATOM 126 O GLU A 509 -4.959 4.922 1.193 1.00 44.14 O ATOM 127 CB GLU A 509 -7.285 6.240 2.924 1.00 35.03 C ATOM 128 CG GLU A 509 -6.128 6.106 3.903 1.00 2.32 C ATOM 129 CD GLU A 509 -6.406 6.793 5.217 1.00 31.41 C ATOM 130 OE1 GLU A 509 -7.055 6.172 6.095 1.00 61.50 O ATOM 131 OE2 GLU A 509 -5.996 7.950 5.424 1.00 61.31 O ATOM 0 H GLU A 509 -6.395 3.558 2.612 1.00 70.53 H new ATOM 0 HA GLU A 509 -8.147 5.439 1.144 1.00 64.04 H new ATOM 0 HB2 GLU A 509 -7.285 7.253 2.521 1.00 35.03 H new ATOM 0 HB3 GLU A 509 -8.220 6.115 3.470 1.00 35.03 H new ATOM 0 HG2 GLU A 509 -5.928 5.050 4.083 1.00 2.32 H new ATOM 0 HG3 GLU A 509 -5.228 6.529 3.458 1.00 2.32 H new ATOM 138 N PRO A 510 -6.178 6.046 -0.320 1.00 43.14 N ATOM 139 CA PRO A 510 -5.055 6.277 -1.235 1.00 12.24 C ATOM 140 C PRO A 510 -4.239 7.505 -0.838 1.00 32.13 C ATOM 141 O PRO A 510 -3.117 7.692 -1.288 1.00 24.45 O ATOM 142 CB PRO A 510 -5.752 6.521 -2.572 1.00 71.45 C ATOM 143 CG PRO A 510 -7.053 7.150 -2.206 1.00 14.42 C ATOM 144 CD PRO A 510 -7.457 6.551 -0.880 1.00 71.24 C ATOM 0 HA PRO A 510 -4.348 5.448 -1.244 1.00 12.24 H new ATOM 0 HB2 PRO A 510 -5.162 7.175 -3.214 1.00 71.45 H new ATOM 0 HB3 PRO A 510 -5.901 5.589 -3.118 1.00 71.45 H new ATOM 0 HG2 PRO A 510 -6.953 8.233 -2.129 1.00 14.42 H new ATOM 0 HG3 PRO A 510 -7.808 6.953 -2.967 1.00 14.42 H new ATOM 0 HD2 PRO A 510 -7.915 7.294 -0.227 1.00 71.24 H new ATOM 0 HD3 PRO A 510 -8.183 5.748 -1.007 1.00 71.24 H new ATOM 152 N VAL A 511 -4.814 8.333 -0.005 1.00 41.14 N ATOM 153 CA VAL A 511 -4.185 9.543 0.464 1.00 34.44 C ATOM 154 C VAL A 511 -4.439 9.651 1.931 1.00 12.44 C ATOM 155 O VAL A 511 -5.569 9.463 2.380 1.00 43.25 O ATOM 156 CB VAL A 511 -4.746 10.821 -0.256 1.00 64.33 C ATOM 157 CG1 VAL A 511 -4.191 12.081 0.355 1.00 0.04 C ATOM 158 CG2 VAL A 511 -4.429 10.805 -1.731 1.00 0.21 C ATOM 0 H VAL A 511 -5.749 8.184 0.374 1.00 41.14 H new ATOM 0 HA VAL A 511 -3.119 9.491 0.244 1.00 34.44 H new ATOM 0 HB VAL A 511 -5.828 10.807 -0.125 1.00 64.33 H new ATOM 0 HG11 VAL A 511 -4.598 12.948 -0.165 1.00 0.04 H new ATOM 0 HG12 VAL A 511 -4.468 12.127 1.408 1.00 0.04 H new ATOM 0 HG13 VAL A 511 -3.105 12.081 0.265 1.00 0.04 H new ATOM 0 HG21 VAL A 511 -4.831 11.703 -2.199 1.00 0.21 H new ATOM 0 HG22 VAL A 511 -3.348 10.776 -1.871 1.00 0.21 H new ATOM 0 HG23 VAL A 511 -4.878 9.924 -2.190 1.00 0.21 H new ATOM 168 N THR A 512 -3.416 9.919 2.673 1.00 51.00 N ATOM 169 CA THR A 512 -3.560 10.068 4.064 1.00 12.12 C ATOM 170 C THR A 512 -2.804 11.311 4.496 1.00 73.45 C ATOM 171 O THR A 512 -1.745 11.630 3.946 1.00 14.24 O ATOM 172 CB THR A 512 -3.105 8.791 4.848 1.00 1.45 C ATOM 173 OG1 THR A 512 -3.586 8.841 6.193 1.00 75.23 O ATOM 174 CG2 THR A 512 -1.598 8.631 4.858 1.00 12.12 C ATOM 0 H THR A 512 -2.465 10.038 2.324 1.00 51.00 H new ATOM 0 HA THR A 512 -4.616 10.189 4.306 1.00 12.12 H new ATOM 0 HB THR A 512 -3.530 7.930 4.331 1.00 1.45 H new ATOM 0 HG1 THR A 512 -4.487 8.457 6.233 1.00 75.23 H new ATOM 0 HG21 THR A 512 -1.331 7.732 5.413 1.00 12.12 H new ATOM 0 HG22 THR A 512 -1.234 8.546 3.834 1.00 12.12 H new ATOM 0 HG23 THR A 512 -1.143 9.500 5.334 1.00 12.12 H new ATOM 182 N HIS A 513 -3.381 12.049 5.388 1.00 35.03 N ATOM 183 CA HIS A 513 -2.757 13.240 5.900 1.00 32.41 C ATOM 184 C HIS A 513 -2.338 13.021 7.310 1.00 22.43 C ATOM 185 O HIS A 513 -3.145 12.618 8.151 1.00 75.21 O ATOM 186 CB HIS A 513 -3.671 14.463 5.777 1.00 14.43 C ATOM 187 CG HIS A 513 -3.752 15.007 4.389 1.00 23.32 C ATOM 188 ND1 HIS A 513 -3.437 16.299 4.066 1.00 4.43 N ATOM 189 CD2 HIS A 513 -4.100 14.406 3.227 1.00 22.44 C ATOM 190 CE1 HIS A 513 -3.585 16.439 2.746 1.00 12.54 C ATOM 191 NE2 HIS A 513 -3.988 15.320 2.188 1.00 23.52 N ATOM 0 H HIS A 513 -4.298 11.849 5.787 1.00 35.03 H new ATOM 0 HA HIS A 513 -1.874 13.448 5.296 1.00 32.41 H new ATOM 0 HB2 HIS A 513 -4.673 14.194 6.113 1.00 14.43 H new ATOM 0 HB3 HIS A 513 -3.311 15.245 6.445 1.00 14.43 H new ATOM 0 HD1 HIS A 513 -3.142 17.026 4.718 1.00 4.43 H new ATOM 0 HD2 HIS A 513 -4.415 13.378 3.124 1.00 22.44 H new ATOM 0 HE1 HIS A 513 -3.397 17.355 2.206 1.00 12.54 H new ATOM 199 N VAL A 514 -1.091 13.234 7.566 1.00 62.04 N ATOM 200 CA VAL A 514 -0.539 13.035 8.875 1.00 23.14 C ATOM 201 C VAL A 514 0.179 14.303 9.274 1.00 55.11 C ATOM 202 O VAL A 514 0.544 15.103 8.410 1.00 50.23 O ATOM 203 CB VAL A 514 0.445 11.809 8.924 1.00 5.20 C ATOM 204 CG1 VAL A 514 -0.218 10.540 8.399 1.00 10.43 C ATOM 205 CG2 VAL A 514 1.732 12.081 8.165 1.00 2.31 C ATOM 0 H VAL A 514 -0.416 13.554 6.871 1.00 62.04 H new ATOM 0 HA VAL A 514 -1.347 12.811 9.571 1.00 23.14 H new ATOM 0 HB VAL A 514 0.700 11.657 9.973 1.00 5.20 H new ATOM 0 HG11 VAL A 514 0.490 9.713 8.447 1.00 10.43 H new ATOM 0 HG12 VAL A 514 -1.091 10.306 9.009 1.00 10.43 H new ATOM 0 HG13 VAL A 514 -0.528 10.692 7.365 1.00 10.43 H new ATOM 0 HG21 VAL A 514 2.382 11.208 8.225 1.00 2.31 H new ATOM 0 HG22 VAL A 514 1.501 12.290 7.120 1.00 2.31 H new ATOM 0 HG23 VAL A 514 2.238 12.941 8.604 1.00 2.31 H new ATOM 215 N SER A 515 0.353 14.503 10.541 1.00 30.42 N ATOM 216 CA SER A 515 1.017 15.673 11.027 1.00 74.35 C ATOM 217 C SER A 515 2.520 15.472 10.952 1.00 52.44 C ATOM 218 O SER A 515 2.997 14.347 10.936 1.00 21.31 O ATOM 219 CB SER A 515 0.598 15.931 12.477 1.00 61.35 C ATOM 220 OG SER A 515 1.186 17.124 12.990 1.00 73.31 O ATOM 0 H SER A 515 0.040 13.861 11.269 1.00 30.42 H new ATOM 0 HA SER A 515 0.740 16.531 10.415 1.00 74.35 H new ATOM 0 HB2 SER A 515 -0.488 16.006 12.534 1.00 61.35 H new ATOM 0 HB3 SER A 515 0.892 15.084 13.097 1.00 61.35 H new ATOM 0 HG SER A 515 0.777 17.346 13.852 1.00 73.31 H new ATOM 226 N GLU A 516 3.263 16.552 10.895 1.00 4.23 N ATOM 227 CA GLU A 516 4.705 16.465 10.950 1.00 54.10 C ATOM 228 C GLU A 516 5.125 16.379 12.421 1.00 63.13 C ATOM 229 O GLU A 516 6.266 16.112 12.744 1.00 4.50 O ATOM 230 CB GLU A 516 5.367 17.680 10.280 1.00 31.42 C ATOM 231 CG GLU A 516 6.875 17.514 10.075 1.00 10.22 C ATOM 232 CD GLU A 516 7.546 18.757 9.586 1.00 15.25 C ATOM 233 OE1 GLU A 516 7.609 19.035 8.404 1.00 42.15 O ATOM 234 OE2 GLU A 516 8.075 19.542 10.368 1.00 2.15 O ATOM 0 H GLU A 516 2.895 17.500 10.811 1.00 4.23 H new ATOM 0 HA GLU A 516 5.032 15.578 10.407 1.00 54.10 H new ATOM 0 HB2 GLU A 516 4.894 17.856 9.314 1.00 31.42 H new ATOM 0 HB3 GLU A 516 5.186 18.565 10.890 1.00 31.42 H new ATOM 0 HG2 GLU A 516 7.331 17.210 11.017 1.00 10.22 H new ATOM 0 HG3 GLU A 516 7.051 16.709 9.361 1.00 10.22 H new ATOM 241 N SER A 517 4.164 16.563 13.300 1.00 2.02 N ATOM 242 CA SER A 517 4.411 16.559 14.714 1.00 0.14 C ATOM 243 C SER A 517 4.047 15.182 15.289 1.00 45.42 C ATOM 244 O SER A 517 3.917 15.010 16.503 1.00 34.24 O ATOM 245 CB SER A 517 3.569 17.673 15.361 1.00 63.23 C ATOM 246 OG SER A 517 3.913 17.912 16.727 1.00 14.30 O ATOM 0 H SER A 517 3.188 16.720 13.047 1.00 2.02 H new ATOM 0 HA SER A 517 5.464 16.746 14.924 1.00 0.14 H new ATOM 0 HB2 SER A 517 3.698 18.594 14.793 1.00 63.23 H new ATOM 0 HB3 SER A 517 2.514 17.406 15.299 1.00 63.23 H new ATOM 0 HG SER A 517 3.968 17.058 17.205 1.00 14.30 H new ATOM 252 N ILE A 518 3.908 14.213 14.417 1.00 4.25 N ATOM 253 CA ILE A 518 3.549 12.882 14.818 1.00 74.00 C ATOM 254 C ILE A 518 4.819 12.018 14.871 1.00 74.12 C ATOM 255 O ILE A 518 5.863 12.400 14.309 1.00 34.52 O ATOM 256 CB ILE A 518 2.514 12.285 13.819 1.00 22.13 C ATOM 257 CG1 ILE A 518 1.739 11.146 14.462 1.00 23.23 C ATOM 258 CG2 ILE A 518 3.196 11.794 12.538 1.00 33.31 C ATOM 259 CD1 ILE A 518 0.595 10.685 13.620 1.00 55.40 C ATOM 0 H ILE A 518 4.041 14.328 13.412 1.00 4.25 H new ATOM 0 HA ILE A 518 3.090 12.903 15.806 1.00 74.00 H new ATOM 0 HB ILE A 518 1.818 13.081 13.554 1.00 22.13 H new ATOM 0 HG12 ILE A 518 2.413 10.309 14.643 1.00 23.23 H new ATOM 0 HG13 ILE A 518 1.364 11.469 15.433 1.00 23.23 H new ATOM 0 HG21 ILE A 518 2.447 11.383 11.861 1.00 33.31 H new ATOM 0 HG22 ILE A 518 3.704 12.628 12.054 1.00 33.31 H new ATOM 0 HG23 ILE A 518 3.923 11.021 12.786 1.00 33.31 H new ATOM 0 HD11 ILE A 518 0.076 9.871 14.126 1.00 55.40 H new ATOM 0 HD12 ILE A 518 -0.096 11.513 13.461 1.00 55.40 H new ATOM 0 HD13 ILE A 518 0.969 10.335 12.658 1.00 55.40 H new ATOM 271 N GLY A 519 4.750 10.916 15.556 1.00 13.32 N ATOM 272 CA GLY A 519 5.858 10.014 15.609 1.00 65.21 C ATOM 273 C GLY A 519 5.712 8.939 14.573 1.00 30.34 C ATOM 274 O GLY A 519 6.414 8.938 13.556 1.00 71.10 O ATOM 0 H GLY A 519 3.932 10.620 16.089 1.00 13.32 H new ATOM 0 HA2 GLY A 519 6.787 10.560 15.446 1.00 65.21 H new ATOM 0 HA3 GLY A 519 5.922 9.565 16.600 1.00 65.21 H new ATOM 278 N ILE A 520 4.767 8.061 14.805 1.00 2.00 N ATOM 279 CA ILE A 520 4.493 6.953 13.927 1.00 14.42 C ATOM 280 C ILE A 520 3.119 7.113 13.320 1.00 54.04 C ATOM 281 O ILE A 520 2.132 7.305 14.038 1.00 71.04 O ATOM 282 CB ILE A 520 4.546 5.585 14.690 1.00 3.24 C ATOM 283 CG1 ILE A 520 5.962 5.273 15.196 1.00 50.35 C ATOM 284 CG2 ILE A 520 4.017 4.434 13.824 1.00 3.31 C ATOM 285 CD1 ILE A 520 6.988 5.107 14.094 1.00 74.51 C ATOM 0 H ILE A 520 4.158 8.098 15.622 1.00 2.00 H new ATOM 0 HA ILE A 520 5.259 6.950 13.151 1.00 14.42 H new ATOM 0 HB ILE A 520 3.893 5.682 15.557 1.00 3.24 H new ATOM 0 HG12 ILE A 520 6.284 6.075 15.860 1.00 50.35 H new ATOM 0 HG13 ILE A 520 5.931 4.360 15.790 1.00 50.35 H new ATOM 0 HG21 ILE A 520 4.069 3.502 14.386 1.00 3.31 H new ATOM 0 HG22 ILE A 520 2.982 4.633 13.547 1.00 3.31 H new ATOM 0 HG23 ILE A 520 4.624 4.348 12.923 1.00 3.31 H new ATOM 0 HD11 ILE A 520 7.961 4.889 14.533 1.00 74.51 H new ATOM 0 HD12 ILE A 520 6.692 4.285 13.442 1.00 74.51 H new ATOM 0 HD13 ILE A 520 7.050 6.027 13.513 1.00 74.51 H new ATOM 297 N MET A 521 3.049 7.063 12.026 1.00 75.41 N ATOM 298 CA MET A 521 1.775 7.064 11.368 1.00 53.15 C ATOM 299 C MET A 521 1.502 5.660 10.892 1.00 74.32 C ATOM 300 O MET A 521 2.440 4.944 10.506 1.00 12.41 O ATOM 301 CB MET A 521 1.685 8.130 10.234 1.00 60.03 C ATOM 302 CG MET A 521 2.544 7.926 8.973 1.00 43.43 C ATOM 303 SD MET A 521 1.869 6.694 7.832 1.00 11.23 S ATOM 304 CE MET A 521 2.930 6.910 6.408 1.00 32.11 C ATOM 0 H MET A 521 3.856 7.021 11.403 1.00 75.41 H new ATOM 0 HA MET A 521 0.995 7.362 12.069 1.00 53.15 H new ATOM 0 HB2 MET A 521 0.643 8.195 9.920 1.00 60.03 H new ATOM 0 HB3 MET A 521 1.949 9.096 10.664 1.00 60.03 H new ATOM 0 HG2 MET A 521 2.641 8.878 8.451 1.00 43.43 H new ATOM 0 HG3 MET A 521 3.547 7.622 9.272 1.00 43.43 H new ATOM 0 HE1 MET A 521 3.154 5.937 5.970 1.00 32.11 H new ATOM 0 HE2 MET A 521 2.425 7.533 5.669 1.00 32.11 H new ATOM 0 HE3 MET A 521 3.858 7.392 6.716 1.00 32.11 H new ATOM 314 N GLU A 522 0.272 5.238 11.023 1.00 54.13 N ATOM 315 CA GLU A 522 -0.140 3.914 10.618 1.00 42.33 C ATOM 316 C GLU A 522 -1.289 3.979 9.652 1.00 4.40 C ATOM 317 O GLU A 522 -2.224 4.760 9.835 1.00 21.53 O ATOM 318 CB GLU A 522 -0.535 3.074 11.819 1.00 73.40 C ATOM 319 CG GLU A 522 0.618 2.683 12.708 1.00 42.44 C ATOM 320 CD GLU A 522 0.182 1.891 13.897 1.00 12.23 C ATOM 321 OE1 GLU A 522 -0.144 2.496 14.953 1.00 52.21 O ATOM 322 OE2 GLU A 522 0.158 0.645 13.811 1.00 3.21 O ATOM 0 H GLU A 522 -0.479 5.805 11.416 1.00 54.13 H new ATOM 0 HA GLU A 522 0.712 3.446 10.124 1.00 42.33 H new ATOM 0 HB2 GLU A 522 -1.264 3.628 12.411 1.00 73.40 H new ATOM 0 HB3 GLU A 522 -1.031 2.169 11.468 1.00 73.40 H new ATOM 0 HG2 GLU A 522 1.336 2.100 12.131 1.00 42.44 H new ATOM 0 HG3 GLU A 522 1.134 3.582 13.044 1.00 42.44 H new ATOM 329 N VAL A 523 -1.223 3.165 8.637 1.00 14.45 N ATOM 330 CA VAL A 523 -2.241 3.120 7.608 1.00 44.35 C ATOM 331 C VAL A 523 -2.791 1.709 7.517 1.00 21.43 C ATOM 332 O VAL A 523 -2.022 0.751 7.568 1.00 44.24 O ATOM 333 CB VAL A 523 -1.638 3.522 6.248 1.00 21.42 C ATOM 334 CG1 VAL A 523 -2.702 3.572 5.152 1.00 21.10 C ATOM 335 CG2 VAL A 523 -0.923 4.851 6.377 1.00 21.42 C ATOM 0 H VAL A 523 -0.458 2.506 8.493 1.00 14.45 H new ATOM 0 HA VAL A 523 -3.040 3.817 7.861 1.00 44.35 H new ATOM 0 HB VAL A 523 -0.916 2.760 5.954 1.00 21.42 H new ATOM 0 HG11 VAL A 523 -2.239 3.859 4.208 1.00 21.10 H new ATOM 0 HG12 VAL A 523 -3.162 2.590 5.047 1.00 21.10 H new ATOM 0 HG13 VAL A 523 -3.465 4.303 5.419 1.00 21.10 H new ATOM 0 HG21 VAL A 523 -0.498 5.131 5.413 1.00 21.42 H new ATOM 0 HG22 VAL A 523 -1.631 5.615 6.697 1.00 21.42 H new ATOM 0 HG23 VAL A 523 -0.124 4.764 7.114 1.00 21.42 H new ATOM 345 N LYS A 524 -4.095 1.592 7.389 1.00 3.24 N ATOM 346 CA LYS A 524 -4.768 0.305 7.333 1.00 1.24 C ATOM 347 C LYS A 524 -4.712 -0.328 5.966 1.00 52.54 C ATOM 348 O LYS A 524 -4.995 0.313 4.937 1.00 22.30 O ATOM 349 CB LYS A 524 -6.212 0.422 7.794 1.00 74.44 C ATOM 350 CG LYS A 524 -6.360 0.645 9.278 1.00 64.21 C ATOM 351 CD LYS A 524 -5.981 -0.600 10.062 1.00 65.00 C ATOM 352 CE LYS A 524 -6.127 -0.397 11.557 1.00 63.54 C ATOM 353 NZ LYS A 524 -7.503 -0.019 11.955 1.00 43.43 N ATOM 0 H LYS A 524 -4.726 2.391 7.320 1.00 3.24 H new ATOM 0 HA LYS A 524 -4.225 -0.350 8.015 1.00 1.24 H new ATOM 0 HB2 LYS A 524 -6.688 1.246 7.263 1.00 74.44 H new ATOM 0 HB3 LYS A 524 -6.747 -0.487 7.517 1.00 74.44 H new ATOM 0 HG2 LYS A 524 -5.730 1.479 9.588 1.00 64.21 H new ATOM 0 HG3 LYS A 524 -7.389 0.922 9.506 1.00 64.21 H new ATOM 0 HD2 LYS A 524 -6.610 -1.432 9.746 1.00 65.00 H new ATOM 0 HD3 LYS A 524 -4.951 -0.873 9.832 1.00 65.00 H new ATOM 0 HE2 LYS A 524 -5.844 -1.315 12.073 1.00 63.54 H new ATOM 0 HE3 LYS A 524 -5.434 0.378 11.883 1.00 63.54 H new ATOM 0 HZ1 LYS A 524 -7.593 -0.075 12.990 1.00 43.43 H new ATOM 0 HZ2 LYS A 524 -7.700 0.953 11.642 1.00 43.43 H new ATOM 0 HZ3 LYS A 524 -8.183 -0.670 11.513 1.00 43.43 H new ATOM 367 N VAL A 525 -4.345 -1.577 5.968 1.00 41.54 N ATOM 368 CA VAL A 525 -4.272 -2.372 4.770 1.00 45.14 C ATOM 369 C VAL A 525 -5.303 -3.460 4.875 1.00 71.13 C ATOM 370 O VAL A 525 -5.429 -4.094 5.928 1.00 23.31 O ATOM 371 CB VAL A 525 -2.889 -3.039 4.600 1.00 13.31 C ATOM 372 CG1 VAL A 525 -2.707 -3.596 3.193 1.00 71.45 C ATOM 373 CG2 VAL A 525 -1.783 -2.089 4.955 1.00 34.50 C ATOM 0 H VAL A 525 -4.083 -2.082 6.814 1.00 41.54 H new ATOM 0 HA VAL A 525 -4.443 -1.719 3.914 1.00 45.14 H new ATOM 0 HB VAL A 525 -2.842 -3.879 5.293 1.00 13.31 H new ATOM 0 HG11 VAL A 525 -1.723 -4.058 3.109 1.00 71.45 H new ATOM 0 HG12 VAL A 525 -3.476 -4.342 2.995 1.00 71.45 H new ATOM 0 HG13 VAL A 525 -2.791 -2.787 2.468 1.00 71.45 H new ATOM 0 HG21 VAL A 525 -0.821 -2.586 4.826 1.00 34.50 H new ATOM 0 HG22 VAL A 525 -1.831 -1.216 4.304 1.00 34.50 H new ATOM 0 HG23 VAL A 525 -1.893 -1.775 5.993 1.00 34.50 H new ATOM 383 N LEU A 526 -6.037 -3.666 3.823 1.00 64.31 N ATOM 384 CA LEU A 526 -7.047 -4.683 3.810 1.00 30.40 C ATOM 385 C LEU A 526 -6.400 -5.989 3.392 1.00 15.15 C ATOM 386 O LEU A 526 -5.534 -6.005 2.505 1.00 31.15 O ATOM 387 CB LEU A 526 -8.235 -4.309 2.887 1.00 1.03 C ATOM 388 CG LEU A 526 -9.039 -3.018 3.240 1.00 73.12 C ATOM 389 CD1 LEU A 526 -9.524 -3.015 4.673 1.00 41.11 C ATOM 390 CD2 LEU A 526 -8.254 -1.765 2.957 1.00 62.12 C ATOM 0 H LEU A 526 -5.954 -3.138 2.954 1.00 64.31 H new ATOM 0 HA LEU A 526 -7.470 -4.787 4.809 1.00 30.40 H new ATOM 0 HB2 LEU A 526 -7.852 -4.201 1.872 1.00 1.03 H new ATOM 0 HB3 LEU A 526 -8.931 -5.148 2.877 1.00 1.03 H new ATOM 0 HG LEU A 526 -9.913 -3.027 2.589 1.00 73.12 H new ATOM 0 HD11 LEU A 526 -10.077 -2.096 4.868 1.00 41.11 H new ATOM 0 HD12 LEU A 526 -10.176 -3.873 4.838 1.00 41.11 H new ATOM 0 HD13 LEU A 526 -8.669 -3.074 5.347 1.00 41.11 H new ATOM 0 HD21 LEU A 526 -8.854 -0.893 3.218 1.00 62.12 H new ATOM 0 HD22 LEU A 526 -7.339 -1.767 3.550 1.00 62.12 H new ATOM 0 HD23 LEU A 526 -8.000 -1.726 1.898 1.00 62.12 H new ATOM 402 N ARG A 527 -6.790 -7.058 4.035 1.00 13.01 N ATOM 403 CA ARG A 527 -6.164 -8.344 3.846 1.00 44.52 C ATOM 404 C ARG A 527 -6.916 -9.156 2.792 1.00 21.20 C ATOM 405 O ARG A 527 -8.085 -8.884 2.503 1.00 52.40 O ATOM 406 CB ARG A 527 -6.139 -9.099 5.190 1.00 35.54 C ATOM 407 CG ARG A 527 -5.355 -10.406 5.181 1.00 23.41 C ATOM 408 CD ARG A 527 -5.451 -11.130 6.509 1.00 23.15 C ATOM 409 NE ARG A 527 -6.821 -11.570 6.789 1.00 2.43 N ATOM 410 CZ ARG A 527 -7.161 -12.589 7.587 1.00 14.05 C ATOM 411 NH1 ARG A 527 -6.232 -13.216 8.313 1.00 73.32 N ATOM 412 NH2 ARG A 527 -8.432 -12.965 7.662 1.00 50.45 N ATOM 0 H ARG A 527 -7.555 -7.063 4.709 1.00 13.01 H new ATOM 0 HA ARG A 527 -5.143 -8.198 3.494 1.00 44.52 H new ATOM 0 HB2 ARG A 527 -5.714 -8.443 5.950 1.00 35.54 H new ATOM 0 HB3 ARG A 527 -7.165 -9.311 5.490 1.00 35.54 H new ATOM 0 HG2 ARG A 527 -5.733 -11.051 4.388 1.00 23.41 H new ATOM 0 HG3 ARG A 527 -4.309 -10.201 4.954 1.00 23.41 H new ATOM 0 HD2 ARG A 527 -4.786 -11.993 6.502 1.00 23.15 H new ATOM 0 HD3 ARG A 527 -5.110 -10.472 7.308 1.00 23.15 H new ATOM 0 HE ARG A 527 -7.578 -11.057 6.338 1.00 2.43 H new ATOM 0 HH11 ARG A 527 -5.258 -12.919 8.261 1.00 73.32 H new ATOM 0 HH12 ARG A 527 -6.497 -13.992 8.920 1.00 73.32 H new ATOM 0 HH21 ARG A 527 -9.141 -12.478 7.114 1.00 50.45 H new ATOM 0 HH22 ARG A 527 -8.699 -13.741 8.268 1.00 50.45 H new ATOM 426 N THR A 528 -6.225 -10.131 2.214 1.00 44.01 N ATOM 427 CA THR A 528 -6.792 -11.036 1.247 1.00 45.13 C ATOM 428 C THR A 528 -8.019 -11.759 1.809 1.00 43.21 C ATOM 429 O THR A 528 -8.089 -12.069 3.005 1.00 2.32 O ATOM 430 CB THR A 528 -5.739 -12.082 0.754 1.00 32.24 C ATOM 431 OG1 THR A 528 -6.355 -13.028 -0.136 1.00 71.32 O ATOM 432 CG2 THR A 528 -5.084 -12.824 1.915 1.00 32.30 C ATOM 0 H THR A 528 -5.241 -10.310 2.413 1.00 44.01 H new ATOM 0 HA THR A 528 -7.105 -10.432 0.395 1.00 45.13 H new ATOM 0 HB THR A 528 -4.961 -11.532 0.225 1.00 32.24 H new ATOM 0 HG1 THR A 528 -7.075 -12.588 -0.634 1.00 71.32 H new ATOM 0 HG21 THR A 528 -4.360 -13.540 1.527 1.00 32.30 H new ATOM 0 HG22 THR A 528 -4.576 -12.110 2.563 1.00 32.30 H new ATOM 0 HG23 THR A 528 -5.847 -13.353 2.486 1.00 32.30 H new ATOM 440 N SER A 529 -8.973 -12.020 0.944 1.00 73.34 N ATOM 441 CA SER A 529 -10.163 -12.716 1.327 1.00 2.21 C ATOM 442 C SER A 529 -9.871 -14.226 1.341 1.00 45.41 C ATOM 443 O SER A 529 -10.636 -15.024 1.871 1.00 74.22 O ATOM 444 CB SER A 529 -11.301 -12.369 0.355 1.00 53.02 C ATOM 445 OG SER A 529 -12.551 -12.922 0.769 1.00 75.24 O ATOM 0 H SER A 529 -8.939 -11.753 -0.040 1.00 73.34 H new ATOM 0 HA SER A 529 -10.478 -12.414 2.326 1.00 2.21 H new ATOM 0 HB2 SER A 529 -11.393 -11.286 0.277 1.00 53.02 H new ATOM 0 HB3 SER A 529 -11.053 -12.740 -0.639 1.00 53.02 H new ATOM 0 HG SER A 529 -13.247 -12.676 0.124 1.00 75.24 H new ATOM 451 N GLY A 530 -8.741 -14.590 0.770 1.00 45.33 N ATOM 452 CA GLY A 530 -8.317 -15.955 0.749 1.00 72.42 C ATOM 453 C GLY A 530 -7.150 -16.131 1.664 1.00 14.24 C ATOM 454 O GLY A 530 -6.085 -16.616 1.256 1.00 50.42 O ATOM 0 H GLY A 530 -8.100 -13.942 0.312 1.00 45.33 H new ATOM 0 HA2 GLY A 530 -9.135 -16.605 1.058 1.00 72.42 H new ATOM 0 HA3 GLY A 530 -8.044 -16.246 -0.265 1.00 72.42 H new ATOM 458 N ALA A 531 -7.323 -15.698 2.891 1.00 34.44 N ATOM 459 CA ALA A 531 -6.286 -15.789 3.874 1.00 22.44 C ATOM 460 C ALA A 531 -6.296 -17.166 4.474 1.00 54.43 C ATOM 461 O ALA A 531 -7.092 -17.478 5.350 1.00 74.42 O ATOM 462 CB ALA A 531 -6.435 -14.724 4.941 1.00 3.25 C ATOM 0 H ALA A 531 -8.187 -15.275 3.229 1.00 34.44 H new ATOM 0 HA ALA A 531 -5.325 -15.615 3.390 1.00 22.44 H new ATOM 0 HB1 ALA A 531 -5.631 -14.824 5.670 1.00 3.25 H new ATOM 0 HB2 ALA A 531 -6.386 -13.738 4.480 1.00 3.25 H new ATOM 0 HB3 ALA A 531 -7.396 -14.843 5.442 1.00 3.25 H new ATOM 468 N ARG A 532 -5.470 -17.996 3.938 1.00 1.15 N ATOM 469 CA ARG A 532 -5.364 -19.359 4.348 1.00 73.43 C ATOM 470 C ARG A 532 -3.930 -19.775 4.527 1.00 1.42 C ATOM 471 O ARG A 532 -3.604 -20.957 4.484 1.00 35.05 O ATOM 472 CB ARG A 532 -6.134 -20.245 3.372 1.00 13.34 C ATOM 473 CG ARG A 532 -5.942 -19.943 1.906 1.00 11.43 C ATOM 474 CD ARG A 532 -4.516 -20.149 1.483 1.00 31.41 C ATOM 475 NE ARG A 532 -4.330 -20.072 0.036 1.00 44.01 N ATOM 476 CZ ARG A 532 -3.429 -20.768 -0.670 1.00 72.31 C ATOM 477 NH1 ARG A 532 -2.705 -21.714 -0.085 1.00 72.30 N ATOM 478 NH2 ARG A 532 -3.273 -20.518 -1.968 1.00 0.43 N ATOM 0 H ARG A 532 -4.832 -17.742 3.183 1.00 1.15 H new ATOM 0 HA ARG A 532 -5.820 -19.478 5.331 1.00 73.43 H new ATOM 0 HB2 ARG A 532 -5.846 -21.281 3.549 1.00 13.34 H new ATOM 0 HB3 ARG A 532 -7.196 -20.166 3.602 1.00 13.34 H new ATOM 0 HG2 ARG A 532 -6.595 -20.584 1.313 1.00 11.43 H new ATOM 0 HG3 ARG A 532 -6.237 -18.913 1.704 1.00 11.43 H new ATOM 0 HD2 ARG A 532 -3.889 -19.399 1.964 1.00 31.41 H new ATOM 0 HD3 ARG A 532 -4.176 -21.123 1.836 1.00 31.41 H new ATOM 0 HE ARG A 532 -4.937 -19.435 -0.480 1.00 44.01 H new ATOM 0 HH11 ARG A 532 -2.833 -21.914 0.907 1.00 72.30 H new ATOM 0 HH12 ARG A 532 -2.020 -22.241 -0.627 1.00 72.30 H new ATOM 0 HH21 ARG A 532 -3.838 -19.799 -2.420 1.00 0.43 H new ATOM 0 HH22 ARG A 532 -2.588 -21.045 -2.510 1.00 0.43 H new ATOM 492 N GLY A 533 -3.091 -18.808 4.792 1.00 33.45 N ATOM 493 CA GLY A 533 -1.702 -19.074 4.869 1.00 41.32 C ATOM 494 C GLY A 533 -0.925 -17.819 5.079 1.00 40.13 C ATOM 495 O GLY A 533 -1.515 -16.760 5.326 1.00 35.31 O ATOM 0 H GLY A 533 -3.356 -17.837 4.956 1.00 33.45 H new ATOM 0 HA2 GLY A 533 -1.506 -19.767 5.687 1.00 41.32 H new ATOM 0 HA3 GLY A 533 -1.371 -19.561 3.952 1.00 41.32 H new ATOM 499 N ASN A 534 0.369 -17.917 4.953 1.00 4.34 N ATOM 500 CA ASN A 534 1.267 -16.812 5.198 1.00 12.35 C ATOM 501 C ASN A 534 1.741 -16.191 3.877 1.00 61.20 C ATOM 502 O ASN A 534 2.314 -16.875 3.023 1.00 10.54 O ATOM 503 CB ASN A 534 2.447 -17.317 6.042 1.00 31.03 C ATOM 504 CG ASN A 534 3.479 -16.265 6.413 1.00 50.15 C ATOM 505 OD1 ASN A 534 4.651 -16.576 6.568 1.00 32.44 O ATOM 506 ND2 ASN A 534 3.073 -15.040 6.586 1.00 3.32 N ATOM 0 H ASN A 534 0.841 -18.777 4.673 1.00 4.34 H new ATOM 0 HA ASN A 534 0.748 -16.026 5.746 1.00 12.35 H new ATOM 0 HB2 ASN A 534 2.054 -17.756 6.959 1.00 31.03 H new ATOM 0 HB3 ASN A 534 2.948 -18.116 5.495 1.00 31.03 H new ATOM 0 HD21 ASN A 534 3.738 -14.316 6.857 1.00 3.32 H new ATOM 0 HD22 ASN A 534 2.090 -14.805 6.451 1.00 3.32 H new ATOM 513 N VAL A 535 1.479 -14.903 3.711 1.00 13.01 N ATOM 514 CA VAL A 535 1.836 -14.159 2.507 1.00 44.45 C ATOM 515 C VAL A 535 2.663 -12.934 2.887 1.00 21.13 C ATOM 516 O VAL A 535 2.351 -12.241 3.860 1.00 63.31 O ATOM 517 CB VAL A 535 0.561 -13.711 1.704 1.00 34.40 C ATOM 518 CG1 VAL A 535 0.921 -12.909 0.446 1.00 51.25 C ATOM 519 CG2 VAL A 535 -0.253 -14.920 1.316 1.00 33.42 C ATOM 0 H VAL A 535 1.007 -14.336 4.416 1.00 13.01 H new ATOM 0 HA VAL A 535 2.421 -14.818 1.865 1.00 44.45 H new ATOM 0 HB VAL A 535 -0.022 -13.061 2.356 1.00 34.40 H new ATOM 0 HG11 VAL A 535 0.008 -12.621 -0.076 1.00 51.25 H new ATOM 0 HG12 VAL A 535 1.473 -12.014 0.731 1.00 51.25 H new ATOM 0 HG13 VAL A 535 1.537 -13.522 -0.212 1.00 51.25 H new ATOM 0 HG21 VAL A 535 -1.135 -14.602 0.760 1.00 33.42 H new ATOM 0 HG22 VAL A 535 0.350 -15.580 0.693 1.00 33.42 H new ATOM 0 HG23 VAL A 535 -0.564 -15.453 2.215 1.00 33.42 H new ATOM 529 N ILE A 536 3.717 -12.704 2.146 1.00 70.02 N ATOM 530 CA ILE A 536 4.592 -11.566 2.355 1.00 34.20 C ATOM 531 C ILE A 536 4.279 -10.483 1.343 1.00 42.31 C ATOM 532 O ILE A 536 4.179 -10.768 0.148 1.00 42.50 O ATOM 533 CB ILE A 536 6.095 -11.982 2.236 1.00 54.25 C ATOM 534 CG1 ILE A 536 6.533 -12.827 3.438 1.00 35.04 C ATOM 535 CG2 ILE A 536 7.016 -10.783 2.042 1.00 5.10 C ATOM 536 CD1 ILE A 536 6.432 -12.116 4.776 1.00 11.25 C ATOM 0 H ILE A 536 3.999 -13.304 1.371 1.00 70.02 H new ATOM 0 HA ILE A 536 4.421 -11.186 3.362 1.00 34.20 H new ATOM 0 HB ILE A 536 6.182 -12.596 1.339 1.00 54.25 H new ATOM 0 HG12 ILE A 536 5.923 -13.730 3.473 1.00 35.04 H new ATOM 0 HG13 ILE A 536 7.565 -13.145 3.286 1.00 35.04 H new ATOM 0 HG21 ILE A 536 8.048 -11.126 1.965 1.00 5.10 H new ATOM 0 HG22 ILE A 536 6.740 -10.256 1.129 1.00 5.10 H new ATOM 0 HG23 ILE A 536 6.920 -10.109 2.893 1.00 5.10 H new ATOM 0 HD11 ILE A 536 6.761 -12.786 5.570 1.00 11.25 H new ATOM 0 HD12 ILE A 536 7.064 -11.228 4.765 1.00 11.25 H new ATOM 0 HD13 ILE A 536 5.398 -11.822 4.955 1.00 11.25 H new ATOM 548 N VAL A 537 4.081 -9.270 1.821 1.00 3.21 N ATOM 549 CA VAL A 537 3.849 -8.128 0.959 1.00 32.42 C ATOM 550 C VAL A 537 4.921 -7.070 1.245 1.00 31.03 C ATOM 551 O VAL A 537 4.897 -6.443 2.302 1.00 21.51 O ATOM 552 CB VAL A 537 2.451 -7.485 1.203 1.00 2.13 C ATOM 553 CG1 VAL A 537 2.170 -6.380 0.189 1.00 63.04 C ATOM 554 CG2 VAL A 537 1.343 -8.531 1.188 1.00 64.51 C ATOM 0 H VAL A 537 4.076 -9.049 2.817 1.00 3.21 H new ATOM 0 HA VAL A 537 3.891 -8.475 -0.074 1.00 32.42 H new ATOM 0 HB VAL A 537 2.468 -7.037 2.196 1.00 2.13 H new ATOM 0 HG11 VAL A 537 1.188 -5.949 0.383 1.00 63.04 H new ATOM 0 HG12 VAL A 537 2.930 -5.604 0.276 1.00 63.04 H new ATOM 0 HG13 VAL A 537 2.191 -6.796 -0.818 1.00 63.04 H new ATOM 0 HG21 VAL A 537 0.382 -8.046 1.361 1.00 64.51 H new ATOM 0 HG22 VAL A 537 1.328 -9.031 0.219 1.00 64.51 H new ATOM 0 HG23 VAL A 537 1.525 -9.266 1.972 1.00 64.51 H new ATOM 564 N PRO A 538 5.904 -6.899 0.362 1.00 11.20 N ATOM 565 CA PRO A 538 6.933 -5.879 0.536 1.00 41.44 C ATOM 566 C PRO A 538 6.366 -4.485 0.273 1.00 15.31 C ATOM 567 O PRO A 538 5.394 -4.335 -0.471 1.00 14.43 O ATOM 568 CB PRO A 538 7.984 -6.239 -0.515 1.00 24.52 C ATOM 569 CG PRO A 538 7.234 -6.971 -1.568 1.00 62.22 C ATOM 570 CD PRO A 538 6.103 -7.678 -0.871 1.00 32.42 C ATOM 0 HA PRO A 538 7.336 -5.856 1.549 1.00 41.44 H new ATOM 0 HB2 PRO A 538 8.462 -5.346 -0.918 1.00 24.52 H new ATOM 0 HB3 PRO A 538 8.773 -6.858 -0.089 1.00 24.52 H new ATOM 0 HG2 PRO A 538 6.855 -6.283 -2.324 1.00 62.22 H new ATOM 0 HG3 PRO A 538 7.880 -7.684 -2.081 1.00 62.22 H new ATOM 0 HD2 PRO A 538 5.202 -7.692 -1.484 1.00 32.42 H new ATOM 0 HD3 PRO A 538 6.355 -8.715 -0.652 1.00 32.42 H new ATOM 578 N TYR A 539 6.936 -3.492 0.898 1.00 41.53 N ATOM 579 CA TYR A 539 6.501 -2.125 0.701 1.00 13.02 C ATOM 580 C TYR A 539 7.682 -1.201 0.829 1.00 13.22 C ATOM 581 O TYR A 539 8.697 -1.574 1.441 1.00 21.40 O ATOM 582 CB TYR A 539 5.413 -1.734 1.716 1.00 65.04 C ATOM 583 CG TYR A 539 5.867 -1.663 3.163 1.00 53.45 C ATOM 584 CD1 TYR A 539 5.833 -2.779 3.973 1.00 2.11 C ATOM 585 CD2 TYR A 539 6.304 -0.465 3.720 1.00 44.01 C ATOM 586 CE1 TYR A 539 6.221 -2.713 5.292 1.00 22.44 C ATOM 587 CE2 TYR A 539 6.699 -0.393 5.033 1.00 33.13 C ATOM 588 CZ TYR A 539 6.654 -1.517 5.818 1.00 15.44 C ATOM 589 OH TYR A 539 7.036 -1.443 7.139 1.00 13.33 O ATOM 0 H TYR A 539 7.709 -3.599 1.554 1.00 41.53 H new ATOM 0 HA TYR A 539 6.073 -2.039 -0.298 1.00 13.02 H new ATOM 0 HB2 TYR A 539 5.008 -0.763 1.432 1.00 65.04 H new ATOM 0 HB3 TYR A 539 4.597 -2.453 1.644 1.00 65.04 H new ATOM 0 HD1 TYR A 539 5.496 -3.721 3.565 1.00 2.11 H new ATOM 0 HD2 TYR A 539 6.333 0.425 3.108 1.00 44.01 H new ATOM 0 HE1 TYR A 539 6.186 -3.597 5.912 1.00 22.44 H new ATOM 0 HE2 TYR A 539 7.043 0.544 5.446 1.00 33.13 H new ATOM 0 HH TYR A 539 7.315 -0.527 7.348 1.00 13.33 H new ATOM 599 N LYS A 540 7.579 -0.028 0.260 1.00 30.23 N ATOM 600 CA LYS A 540 8.637 0.947 0.353 1.00 33.41 C ATOM 601 C LYS A 540 8.086 2.357 0.317 1.00 62.22 C ATOM 602 O LYS A 540 6.980 2.599 -0.197 1.00 52.04 O ATOM 603 CB LYS A 540 9.665 0.764 -0.763 1.00 12.43 C ATOM 604 CG LYS A 540 9.118 0.970 -2.156 1.00 22.22 C ATOM 605 CD LYS A 540 10.199 0.779 -3.180 1.00 62.03 C ATOM 606 CE LYS A 540 9.663 0.980 -4.581 1.00 23.51 C ATOM 607 NZ LYS A 540 10.689 0.708 -5.609 1.00 10.25 N ATOM 0 H LYS A 540 6.767 0.278 -0.277 1.00 30.23 H new ATOM 0 HA LYS A 540 9.134 0.789 1.310 1.00 33.41 H new ATOM 0 HB2 LYS A 540 10.486 1.462 -0.602 1.00 12.43 H new ATOM 0 HB3 LYS A 540 10.082 -0.241 -0.695 1.00 12.43 H new ATOM 0 HG2 LYS A 540 8.305 0.268 -2.341 1.00 22.22 H new ATOM 0 HG3 LYS A 540 8.699 1.972 -2.244 1.00 22.22 H new ATOM 0 HD2 LYS A 540 11.010 1.483 -2.993 1.00 62.03 H new ATOM 0 HD3 LYS A 540 10.619 -0.223 -3.088 1.00 62.03 H new ATOM 0 HE2 LYS A 540 8.807 0.324 -4.740 1.00 23.51 H new ATOM 0 HE3 LYS A 540 9.304 2.003 -4.689 1.00 23.51 H new ATOM 0 HZ1 LYS A 540 10.282 0.857 -6.554 1.00 10.25 H new ATOM 0 HZ2 LYS A 540 11.495 1.351 -5.474 1.00 10.25 H new ATOM 0 HZ3 LYS A 540 11.014 -0.276 -5.523 1.00 10.25 H new ATOM 621 N THR A 541 8.841 3.259 0.877 1.00 25.12 N ATOM 622 CA THR A 541 8.521 4.656 0.882 1.00 63.24 C ATOM 623 C THR A 541 9.237 5.381 -0.251 1.00 21.13 C ATOM 624 O THR A 541 10.479 5.460 -0.262 1.00 61.01 O ATOM 625 CB THR A 541 8.951 5.293 2.218 1.00 62.55 C ATOM 626 OG1 THR A 541 10.265 4.831 2.574 1.00 32.12 O ATOM 627 CG2 THR A 541 7.987 4.972 3.337 1.00 24.05 C ATOM 0 H THR A 541 9.715 3.037 1.353 1.00 25.12 H new ATOM 0 HA THR A 541 7.443 4.751 0.749 1.00 63.24 H new ATOM 0 HB THR A 541 8.954 6.374 2.080 1.00 62.55 H new ATOM 0 HG1 THR A 541 10.854 4.886 1.793 1.00 32.12 H new ATOM 0 HG21 THR A 541 8.330 5.442 4.259 1.00 24.05 H new ATOM 0 HG22 THR A 541 6.997 5.351 3.084 1.00 24.05 H new ATOM 0 HG23 THR A 541 7.938 3.892 3.476 1.00 24.05 H new ATOM 635 N ILE A 542 8.487 5.871 -1.201 1.00 34.50 N ATOM 636 CA ILE A 542 9.048 6.681 -2.246 1.00 33.33 C ATOM 637 C ILE A 542 9.135 8.077 -1.673 1.00 11.13 C ATOM 638 O ILE A 542 8.102 8.664 -1.336 1.00 72.31 O ATOM 639 CB ILE A 542 8.187 6.718 -3.565 1.00 70.31 C ATOM 640 CG1 ILE A 542 8.013 5.325 -4.218 1.00 22.43 C ATOM 641 CG2 ILE A 542 8.777 7.693 -4.580 1.00 14.30 C ATOM 642 CD1 ILE A 542 7.024 4.410 -3.526 1.00 54.44 C ATOM 0 H ILE A 542 7.480 5.722 -1.272 1.00 34.50 H new ATOM 0 HA ILE A 542 10.010 6.262 -2.541 1.00 33.33 H new ATOM 0 HB ILE A 542 7.197 7.061 -3.264 1.00 70.31 H new ATOM 0 HG12 ILE A 542 7.695 5.463 -5.252 1.00 22.43 H new ATOM 0 HG13 ILE A 542 8.984 4.830 -4.246 1.00 22.43 H new ATOM 0 HG21 ILE A 542 8.162 7.698 -5.480 1.00 14.30 H new ATOM 0 HG22 ILE A 542 8.800 8.695 -4.151 1.00 14.30 H new ATOM 0 HG23 ILE A 542 9.791 7.384 -4.835 1.00 14.30 H new ATOM 0 HD11 ILE A 542 6.973 3.460 -4.058 1.00 54.44 H new ATOM 0 HD12 ILE A 542 7.347 4.234 -2.500 1.00 54.44 H new ATOM 0 HD13 ILE A 542 6.039 4.876 -3.521 1.00 54.44 H new ATOM 654 N GLU A 543 10.350 8.573 -1.529 1.00 14.03 N ATOM 655 CA GLU A 543 10.624 9.855 -0.887 1.00 75.52 C ATOM 656 C GLU A 543 9.826 10.993 -1.491 1.00 22.11 C ATOM 657 O GLU A 543 9.196 11.761 -0.770 1.00 0.53 O ATOM 658 CB GLU A 543 12.099 10.186 -0.959 1.00 32.44 C ATOM 659 CG GLU A 543 13.001 9.193 -0.269 1.00 32.33 C ATOM 660 CD GLU A 543 14.432 9.615 -0.350 1.00 75.22 C ATOM 661 OE1 GLU A 543 15.082 9.360 -1.383 1.00 75.54 O ATOM 662 OE2 GLU A 543 14.929 10.220 0.591 1.00 54.33 O ATOM 0 H GLU A 543 11.189 8.094 -1.857 1.00 14.03 H new ATOM 0 HA GLU A 543 10.318 9.748 0.154 1.00 75.52 H new ATOM 0 HB2 GLU A 543 12.391 10.255 -2.007 1.00 32.44 H new ATOM 0 HB3 GLU A 543 12.259 11.170 -0.518 1.00 32.44 H new ATOM 0 HG2 GLU A 543 12.707 9.095 0.776 1.00 32.33 H new ATOM 0 HG3 GLU A 543 12.882 8.211 -0.727 1.00 32.33 H new ATOM 669 N GLY A 544 9.859 11.102 -2.802 1.00 52.23 N ATOM 670 CA GLY A 544 9.142 12.159 -3.466 1.00 70.52 C ATOM 671 C GLY A 544 9.783 13.504 -3.206 1.00 0.40 C ATOM 672 O GLY A 544 10.822 13.832 -3.782 1.00 21.32 O ATOM 0 H GLY A 544 10.372 10.475 -3.422 1.00 52.23 H new ATOM 0 HA2 GLY A 544 9.117 11.967 -4.539 1.00 70.52 H new ATOM 0 HA3 GLY A 544 8.108 12.173 -3.121 1.00 70.52 H new ATOM 676 N THR A 545 9.196 14.252 -2.310 1.00 52.22 N ATOM 677 CA THR A 545 9.721 15.545 -1.940 1.00 62.21 C ATOM 678 C THR A 545 10.202 15.500 -0.469 1.00 32.21 C ATOM 679 O THR A 545 10.696 16.485 0.085 1.00 11.43 O ATOM 680 CB THR A 545 8.667 16.677 -2.187 1.00 45.25 C ATOM 681 OG1 THR A 545 9.200 17.986 -1.882 1.00 50.42 O ATOM 682 CG2 THR A 545 7.405 16.430 -1.384 1.00 51.24 C ATOM 0 H THR A 545 8.344 13.986 -1.816 1.00 52.22 H new ATOM 0 HA THR A 545 10.577 15.783 -2.572 1.00 62.21 H new ATOM 0 HB THR A 545 8.420 16.654 -3.248 1.00 45.25 H new ATOM 0 HG1 THR A 545 9.895 17.905 -1.195 1.00 50.42 H new ATOM 0 HG21 THR A 545 6.690 17.231 -1.574 1.00 51.24 H new ATOM 0 HG22 THR A 545 6.968 15.476 -1.678 1.00 51.24 H new ATOM 0 HG23 THR A 545 7.649 16.406 -0.322 1.00 51.24 H new ATOM 690 N ALA A 546 10.056 14.345 0.145 1.00 51.43 N ATOM 691 CA ALA A 546 10.532 14.117 1.481 1.00 61.42 C ATOM 692 C ALA A 546 11.911 13.475 1.390 1.00 73.24 C ATOM 693 O ALA A 546 12.341 13.102 0.297 1.00 22.41 O ATOM 694 CB ALA A 546 9.573 13.199 2.205 1.00 15.04 C ATOM 0 H ALA A 546 9.600 13.536 -0.277 1.00 51.43 H new ATOM 0 HA ALA A 546 10.597 15.055 2.032 1.00 61.42 H new ATOM 0 HB1 ALA A 546 9.932 13.024 3.219 1.00 15.04 H new ATOM 0 HB2 ALA A 546 8.586 13.661 2.244 1.00 15.04 H new ATOM 0 HB3 ALA A 546 9.508 12.249 1.675 1.00 15.04 H new ATOM 700 N ARG A 547 12.604 13.347 2.494 1.00 30.54 N ATOM 701 CA ARG A 547 13.917 12.741 2.486 1.00 45.22 C ATOM 702 C ARG A 547 14.010 11.672 3.570 1.00 51.04 C ATOM 703 O ARG A 547 13.781 11.952 4.759 1.00 13.31 O ATOM 704 CB ARG A 547 15.007 13.793 2.698 1.00 12.23 C ATOM 705 CG ARG A 547 16.410 13.268 2.494 1.00 44.51 C ATOM 706 CD ARG A 547 16.631 12.869 1.070 1.00 22.54 C ATOM 707 NE ARG A 547 17.964 12.284 0.857 1.00 23.11 N ATOM 708 CZ ARG A 547 18.743 12.509 -0.218 1.00 64.10 C ATOM 709 NH1 ARG A 547 18.367 13.378 -1.155 1.00 40.12 N ATOM 710 NH2 ARG A 547 19.908 11.880 -0.342 1.00 62.31 N ATOM 0 H ARG A 547 12.282 13.654 3.412 1.00 30.54 H new ATOM 0 HA ARG A 547 14.070 12.278 1.511 1.00 45.22 H new ATOM 0 HB2 ARG A 547 14.836 14.623 2.012 1.00 12.23 H new ATOM 0 HB3 ARG A 547 14.922 14.192 3.709 1.00 12.23 H new ATOM 0 HG2 ARG A 547 17.133 14.033 2.778 1.00 44.51 H new ATOM 0 HG3 ARG A 547 16.580 12.411 3.146 1.00 44.51 H new ATOM 0 HD2 ARG A 547 15.868 12.149 0.774 1.00 22.54 H new ATOM 0 HD3 ARG A 547 16.512 13.741 0.427 1.00 22.54 H new ATOM 0 HE ARG A 547 18.326 11.660 1.579 1.00 23.11 H new ATOM 0 HH11 ARG A 547 17.483 13.879 -1.061 1.00 40.12 H new ATOM 0 HH12 ARG A 547 18.963 13.543 -1.966 1.00 40.12 H new ATOM 0 HH21 ARG A 547 20.213 11.225 0.378 1.00 62.31 H new ATOM 0 HH22 ARG A 547 20.496 12.052 -1.157 1.00 62.31 H new ATOM 724 N GLY A 548 14.327 10.472 3.165 1.00 23.13 N ATOM 725 CA GLY A 548 14.446 9.369 4.082 1.00 24.22 C ATOM 726 C GLY A 548 15.794 9.344 4.759 1.00 14.50 C ATOM 727 O GLY A 548 16.538 10.312 4.691 1.00 61.44 O ATOM 0 H GLY A 548 14.510 10.231 2.191 1.00 23.13 H new ATOM 0 HA2 GLY A 548 13.662 9.438 4.836 1.00 24.22 H new ATOM 0 HA3 GLY A 548 14.291 8.433 3.546 1.00 24.22 H new ATOM 731 N GLY A 549 16.118 8.248 5.398 1.00 21.43 N ATOM 732 CA GLY A 549 17.379 8.137 6.087 1.00 50.24 C ATOM 733 C GLY A 549 17.372 8.836 7.426 1.00 33.11 C ATOM 734 O GLY A 549 18.419 9.058 8.016 1.00 62.13 O ATOM 0 H GLY A 549 15.526 7.420 5.455 1.00 21.43 H new ATOM 0 HA2 GLY A 549 17.618 7.084 6.232 1.00 50.24 H new ATOM 0 HA3 GLY A 549 18.168 8.560 5.465 1.00 50.24 H new ATOM 738 N GLY A 550 16.193 9.191 7.913 1.00 32.11 N ATOM 739 CA GLY A 550 16.108 9.877 9.171 1.00 63.23 C ATOM 740 C GLY A 550 16.307 11.366 9.015 1.00 1.13 C ATOM 741 O GLY A 550 16.537 12.067 9.989 1.00 44.51 O ATOM 0 H GLY A 550 15.299 9.014 7.456 1.00 32.11 H new ATOM 0 HA2 GLY A 550 15.135 9.686 9.624 1.00 63.23 H new ATOM 0 HA3 GLY A 550 16.860 9.480 9.853 1.00 63.23 H new ATOM 745 N GLU A 551 16.238 11.840 7.785 1.00 64.12 N ATOM 746 CA GLU A 551 16.398 13.254 7.494 1.00 64.43 C ATOM 747 C GLU A 551 15.112 13.989 7.784 1.00 35.22 C ATOM 748 O GLU A 551 15.014 14.753 8.738 1.00 53.31 O ATOM 749 CB GLU A 551 16.719 13.460 6.028 1.00 73.52 C ATOM 750 CG GLU A 551 17.991 12.842 5.536 1.00 13.51 C ATOM 751 CD GLU A 551 19.208 13.482 6.087 1.00 24.15 C ATOM 752 OE1 GLU A 551 19.506 14.629 5.695 1.00 13.12 O ATOM 753 OE2 GLU A 551 19.909 12.851 6.896 1.00 22.43 O ATOM 0 H GLU A 551 16.070 11.260 6.963 1.00 64.12 H new ATOM 0 HA GLU A 551 17.209 13.633 8.116 1.00 64.43 H new ATOM 0 HB2 GLU A 551 15.894 13.062 5.437 1.00 73.52 H new ATOM 0 HB3 GLU A 551 16.762 14.532 5.834 1.00 73.52 H new ATOM 0 HG2 GLU A 551 17.996 11.784 5.797 1.00 13.51 H new ATOM 0 HG3 GLU A 551 18.019 12.903 4.448 1.00 13.51 H new ATOM 760 N ASP A 552 14.132 13.726 6.953 1.00 63.34 N ATOM 761 CA ASP A 552 12.843 14.380 7.028 1.00 33.21 C ATOM 762 C ASP A 552 11.840 13.362 7.508 1.00 25.10 C ATOM 763 O ASP A 552 10.914 13.665 8.259 1.00 23.10 O ATOM 764 CB ASP A 552 12.457 14.889 5.639 1.00 3.31 C ATOM 765 CG ASP A 552 11.398 15.949 5.658 1.00 53.44 C ATOM 766 OD1 ASP A 552 10.215 15.634 5.754 1.00 70.44 O ATOM 767 OD2 ASP A 552 11.761 17.162 5.546 1.00 30.41 O ATOM 0 H ASP A 552 14.206 13.045 6.197 1.00 63.34 H new ATOM 0 HA ASP A 552 12.872 15.227 7.713 1.00 33.21 H new ATOM 0 HB2 ASP A 552 13.346 15.285 5.147 1.00 3.31 H new ATOM 0 HB3 ASP A 552 12.107 14.049 5.038 1.00 3.31 H new ATOM 772 N PHE A 553 12.045 12.134 7.084 1.00 75.03 N ATOM 773 CA PHE A 553 11.265 11.041 7.554 1.00 15.22 C ATOM 774 C PHE A 553 12.148 9.816 7.626 1.00 4.21 C ATOM 775 O PHE A 553 13.258 9.792 7.058 1.00 14.13 O ATOM 776 CB PHE A 553 10.026 10.778 6.684 1.00 15.43 C ATOM 777 CG PHE A 553 10.259 10.071 5.373 1.00 13.52 C ATOM 778 CD1 PHE A 553 10.805 10.723 4.296 1.00 14.01 C ATOM 779 CD2 PHE A 553 9.877 8.753 5.226 1.00 53.52 C ATOM 780 CE1 PHE A 553 10.973 10.073 3.087 1.00 2.12 C ATOM 781 CE2 PHE A 553 10.045 8.098 4.029 1.00 54.33 C ATOM 782 CZ PHE A 553 10.593 8.758 2.955 1.00 71.53 C ATOM 0 H PHE A 553 12.761 11.879 6.403 1.00 75.03 H new ATOM 0 HA PHE A 553 10.885 11.290 8.545 1.00 15.22 H new ATOM 0 HB2 PHE A 553 9.319 10.189 7.268 1.00 15.43 H new ATOM 0 HB3 PHE A 553 9.547 11.735 6.475 1.00 15.43 H new ATOM 0 HD1 PHE A 553 11.107 11.755 4.394 1.00 14.01 H new ATOM 0 HD2 PHE A 553 9.440 8.229 6.063 1.00 53.52 H new ATOM 0 HE1 PHE A 553 11.403 10.598 2.247 1.00 2.12 H new ATOM 0 HE2 PHE A 553 9.746 7.065 3.933 1.00 54.33 H new ATOM 0 HZ PHE A 553 10.724 8.247 2.013 1.00 71.53 H new ATOM 792 N GLU A 554 11.692 8.835 8.322 1.00 63.43 N ATOM 793 CA GLU A 554 12.397 7.608 8.469 1.00 22.41 C ATOM 794 C GLU A 554 11.826 6.684 7.411 1.00 3.52 C ATOM 795 O GLU A 554 10.665 6.251 7.509 1.00 62.14 O ATOM 796 CB GLU A 554 12.129 7.093 9.877 1.00 45.33 C ATOM 797 CG GLU A 554 13.105 6.085 10.456 1.00 13.10 C ATOM 798 CD GLU A 554 13.165 4.761 9.752 1.00 21.35 C ATOM 799 OE1 GLU A 554 12.247 3.950 9.921 1.00 51.52 O ATOM 800 OE2 GLU A 554 14.170 4.488 9.091 1.00 2.55 O ATOM 0 H GLU A 554 10.800 8.862 8.816 1.00 63.43 H new ATOM 0 HA GLU A 554 13.476 7.696 8.342 1.00 22.41 H new ATOM 0 HB2 GLU A 554 12.096 7.952 10.548 1.00 45.33 H new ATOM 0 HB3 GLU A 554 11.136 6.643 9.886 1.00 45.33 H new ATOM 0 HG2 GLU A 554 14.102 6.526 10.448 1.00 13.10 H new ATOM 0 HG3 GLU A 554 12.842 5.910 11.499 1.00 13.10 H new ATOM 807 N ASP A 555 12.597 6.444 6.378 1.00 24.24 N ATOM 808 CA ASP A 555 12.125 5.665 5.247 1.00 61.10 C ATOM 809 C ASP A 555 12.026 4.226 5.622 1.00 71.15 C ATOM 810 O ASP A 555 12.787 3.741 6.454 1.00 20.33 O ATOM 811 CB ASP A 555 13.017 5.821 4.002 1.00 70.22 C ATOM 812 CG ASP A 555 14.338 5.096 4.097 1.00 43.15 C ATOM 813 OD1 ASP A 555 15.301 5.666 4.665 1.00 63.42 O ATOM 814 OD2 ASP A 555 14.448 3.959 3.573 1.00 3.14 O ATOM 0 H ASP A 555 13.558 6.776 6.292 1.00 24.24 H new ATOM 0 HA ASP A 555 11.139 6.051 4.986 1.00 61.10 H new ATOM 0 HB2 ASP A 555 12.475 5.453 3.131 1.00 70.22 H new ATOM 0 HB3 ASP A 555 13.207 6.881 3.835 1.00 70.22 H new ATOM 819 N THR A 556 11.118 3.550 5.022 1.00 32.34 N ATOM 820 CA THR A 556 10.911 2.201 5.349 1.00 63.43 C ATOM 821 C THR A 556 10.648 1.369 4.110 1.00 62.33 C ATOM 822 O THR A 556 9.886 1.761 3.211 1.00 44.25 O ATOM 823 CB THR A 556 9.804 2.017 6.440 1.00 1.11 C ATOM 824 OG1 THR A 556 9.552 0.629 6.713 1.00 53.41 O ATOM 825 CG2 THR A 556 8.509 2.712 6.071 1.00 63.20 C ATOM 0 H THR A 556 10.504 3.919 4.296 1.00 32.34 H new ATOM 0 HA THR A 556 11.834 1.830 5.794 1.00 63.43 H new ATOM 0 HB THR A 556 10.193 2.486 7.344 1.00 1.11 H new ATOM 0 HG1 THR A 556 8.772 0.331 6.200 1.00 53.41 H new ATOM 0 HG21 THR A 556 7.774 2.554 6.860 1.00 63.20 H new ATOM 0 HG22 THR A 556 8.690 3.780 5.952 1.00 63.20 H new ATOM 0 HG23 THR A 556 8.130 2.302 5.135 1.00 63.20 H new ATOM 833 N CYS A 557 11.347 0.281 4.032 1.00 65.45 N ATOM 834 CA CYS A 557 11.183 -0.679 3.001 1.00 71.23 C ATOM 835 C CYS A 557 11.354 -2.043 3.619 1.00 54.20 C ATOM 836 O CYS A 557 12.464 -2.439 3.991 1.00 72.42 O ATOM 837 CB CYS A 557 12.164 -0.426 1.838 1.00 53.00 C ATOM 838 SG CYS A 557 13.900 -0.282 2.319 1.00 20.43 S ATOM 0 H CYS A 557 12.069 0.034 4.709 1.00 65.45 H new ATOM 0 HA CYS A 557 10.189 -0.605 2.561 1.00 71.23 H new ATOM 0 HB2 CYS A 557 12.068 -1.239 1.119 1.00 53.00 H new ATOM 0 HB3 CYS A 557 11.868 0.489 1.325 1.00 53.00 H new ATOM 0 HG CYS A 557 14.168 -1.156 3.244 1.00 20.43 H new ATOM 844 N GLY A 558 10.262 -2.723 3.797 1.00 10.03 N ATOM 845 CA GLY A 558 10.277 -3.976 4.440 1.00 55.23 C ATOM 846 C GLY A 558 9.168 -4.814 3.934 1.00 62.22 C ATOM 847 O GLY A 558 8.709 -4.625 2.798 1.00 73.22 O ATOM 0 H GLY A 558 9.339 -2.412 3.495 1.00 10.03 H new ATOM 0 HA2 GLY A 558 11.230 -4.474 4.264 1.00 55.23 H new ATOM 0 HA3 GLY A 558 10.182 -3.843 5.518 1.00 55.23 H new ATOM 851 N GLU A 559 8.667 -5.664 4.769 1.00 20.41 N ATOM 852 CA GLU A 559 7.685 -6.627 4.368 1.00 32.21 C ATOM 853 C GLU A 559 6.585 -6.729 5.398 1.00 20.14 C ATOM 854 O GLU A 559 6.849 -6.806 6.599 1.00 20.23 O ATOM 855 CB GLU A 559 8.347 -7.985 4.233 1.00 44.33 C ATOM 856 CG GLU A 559 9.463 -8.068 3.204 1.00 43.11 C ATOM 857 CD GLU A 559 10.215 -9.372 3.281 1.00 73.51 C ATOM 858 OE1 GLU A 559 10.696 -9.721 4.379 1.00 12.21 O ATOM 859 OE2 GLU A 559 10.344 -10.076 2.257 1.00 24.31 O ATOM 0 H GLU A 559 8.926 -5.713 5.754 1.00 20.41 H new ATOM 0 HA GLU A 559 7.256 -6.310 3.417 1.00 32.21 H new ATOM 0 HB2 GLU A 559 8.750 -8.272 5.204 1.00 44.33 H new ATOM 0 HB3 GLU A 559 7.583 -8.719 3.975 1.00 44.33 H new ATOM 0 HG2 GLU A 559 9.043 -7.952 2.205 1.00 43.11 H new ATOM 0 HG3 GLU A 559 10.157 -7.241 3.356 1.00 43.11 H new ATOM 866 N LEU A 560 5.377 -6.715 4.933 1.00 51.33 N ATOM 867 CA LEU A 560 4.233 -6.931 5.763 1.00 32.53 C ATOM 868 C LEU A 560 3.892 -8.392 5.711 1.00 12.30 C ATOM 869 O LEU A 560 3.695 -8.956 4.622 1.00 22.51 O ATOM 870 CB LEU A 560 3.046 -6.098 5.288 1.00 74.40 C ATOM 871 CG LEU A 560 3.188 -4.583 5.417 1.00 33.43 C ATOM 872 CD1 LEU A 560 1.972 -3.877 4.858 1.00 61.12 C ATOM 873 CD2 LEU A 560 3.416 -4.181 6.869 1.00 35.30 C ATOM 0 H LEU A 560 5.153 -6.551 3.952 1.00 51.33 H new ATOM 0 HA LEU A 560 4.459 -6.626 6.785 1.00 32.53 H new ATOM 0 HB2 LEU A 560 2.858 -6.336 4.241 1.00 74.40 H new ATOM 0 HB3 LEU A 560 2.164 -6.408 5.849 1.00 74.40 H new ATOM 0 HG LEU A 560 4.058 -4.278 4.836 1.00 33.43 H new ATOM 0 HD11 LEU A 560 2.097 -2.799 4.962 1.00 61.12 H new ATOM 0 HD12 LEU A 560 1.857 -4.129 3.804 1.00 61.12 H new ATOM 0 HD13 LEU A 560 1.084 -4.193 5.405 1.00 61.12 H new ATOM 0 HD21 LEU A 560 3.514 -3.097 6.935 1.00 35.30 H new ATOM 0 HD22 LEU A 560 2.570 -4.506 7.474 1.00 35.30 H new ATOM 0 HD23 LEU A 560 4.328 -4.651 7.238 1.00 35.30 H new ATOM 885 N GLU A 561 3.858 -9.009 6.847 1.00 23.31 N ATOM 886 CA GLU A 561 3.597 -10.413 6.925 1.00 35.40 C ATOM 887 C GLU A 561 2.124 -10.657 7.252 1.00 32.40 C ATOM 888 O GLU A 561 1.643 -10.287 8.324 1.00 13.20 O ATOM 889 CB GLU A 561 4.514 -11.044 7.978 1.00 31.32 C ATOM 890 CG GLU A 561 4.445 -12.554 8.049 1.00 14.11 C ATOM 891 CD GLU A 561 5.363 -13.125 9.094 1.00 34.34 C ATOM 892 OE1 GLU A 561 4.981 -13.159 10.269 1.00 4.04 O ATOM 893 OE2 GLU A 561 6.486 -13.547 8.757 1.00 51.41 O ATOM 0 H GLU A 561 4.010 -8.556 7.748 1.00 23.31 H new ATOM 0 HA GLU A 561 3.805 -10.880 5.962 1.00 35.40 H new ATOM 0 HB2 GLU A 561 5.542 -10.750 7.769 1.00 31.32 H new ATOM 0 HB3 GLU A 561 4.258 -10.635 8.956 1.00 31.32 H new ATOM 0 HG2 GLU A 561 3.421 -12.858 8.265 1.00 14.11 H new ATOM 0 HG3 GLU A 561 4.703 -12.972 7.076 1.00 14.11 H new ATOM 900 N PHE A 562 1.413 -11.226 6.317 1.00 42.43 N ATOM 901 CA PHE A 562 0.024 -11.573 6.523 1.00 12.31 C ATOM 902 C PHE A 562 -0.099 -13.050 6.741 1.00 61.43 C ATOM 903 O PHE A 562 0.638 -13.834 6.137 1.00 61.25 O ATOM 904 CB PHE A 562 -0.843 -11.176 5.342 1.00 32.21 C ATOM 905 CG PHE A 562 -1.099 -9.715 5.218 1.00 52.04 C ATOM 906 CD1 PHE A 562 -2.181 -9.144 5.860 1.00 22.33 C ATOM 907 CD2 PHE A 562 -0.289 -8.920 4.433 1.00 5.44 C ATOM 908 CE1 PHE A 562 -2.450 -7.801 5.714 1.00 2.23 C ATOM 909 CE2 PHE A 562 -0.548 -7.574 4.290 1.00 3.43 C ATOM 910 CZ PHE A 562 -1.632 -7.015 4.927 1.00 53.42 C ATOM 0 H PHE A 562 1.774 -11.463 5.393 1.00 42.43 H new ATOM 0 HA PHE A 562 -0.323 -11.025 7.399 1.00 12.31 H new ATOM 0 HB2 PHE A 562 -0.367 -11.526 4.426 1.00 32.21 H new ATOM 0 HB3 PHE A 562 -1.799 -11.693 5.422 1.00 32.21 H new ATOM 0 HD1 PHE A 562 -2.820 -9.755 6.480 1.00 22.33 H new ATOM 0 HD2 PHE A 562 0.558 -9.358 3.925 1.00 5.44 H new ATOM 0 HE1 PHE A 562 -3.301 -7.363 6.215 1.00 2.23 H new ATOM 0 HE2 PHE A 562 0.098 -6.960 3.680 1.00 3.43 H new ATOM 0 HZ PHE A 562 -1.843 -5.962 4.811 1.00 53.42 H new ATOM 920 N GLN A 563 -1.004 -13.441 7.584 1.00 30.40 N ATOM 921 CA GLN A 563 -1.200 -14.833 7.893 1.00 51.02 C ATOM 922 C GLN A 563 -2.687 -15.103 7.916 1.00 15.22 C ATOM 923 O GLN A 563 -3.485 -14.190 7.683 1.00 12.44 O ATOM 924 CB GLN A 563 -0.573 -15.170 9.259 1.00 35.25 C ATOM 925 CG GLN A 563 0.887 -14.773 9.378 1.00 74.33 C ATOM 926 CD GLN A 563 1.514 -15.160 10.694 1.00 72.23 C ATOM 927 OE1 GLN A 563 1.473 -14.411 11.665 1.00 3.31 O ATOM 928 NE2 GLN A 563 2.127 -16.307 10.733 1.00 61.32 N ATOM 0 H GLN A 563 -1.631 -12.808 8.080 1.00 30.40 H new ATOM 0 HA GLN A 563 -0.718 -15.457 7.140 1.00 51.02 H new ATOM 0 HB2 GLN A 563 -1.141 -14.669 10.043 1.00 35.25 H new ATOM 0 HB3 GLN A 563 -0.664 -16.242 9.435 1.00 35.25 H new ATOM 0 HG2 GLN A 563 1.448 -15.238 8.567 1.00 74.33 H new ATOM 0 HG3 GLN A 563 0.973 -13.694 9.248 1.00 74.33 H new ATOM 0 HE21 GLN A 563 2.142 -16.906 9.907 1.00 61.32 H new ATOM 0 HE22 GLN A 563 2.593 -16.608 11.589 1.00 61.32 H new ATOM 937 N ASN A 564 -3.063 -16.325 8.179 1.00 4.34 N ATOM 938 CA ASN A 564 -4.470 -16.680 8.306 1.00 54.14 C ATOM 939 C ASN A 564 -4.990 -16.141 9.627 1.00 61.23 C ATOM 940 O ASN A 564 -6.122 -15.657 9.728 1.00 24.41 O ATOM 941 CB ASN A 564 -4.643 -18.208 8.226 1.00 30.20 C ATOM 942 CG ASN A 564 -6.077 -18.691 8.443 1.00 53.01 C ATOM 943 OD1 ASN A 564 -7.047 -17.991 8.150 1.00 64.01 O ATOM 944 ND2 ASN A 564 -6.217 -19.895 8.932 1.00 14.42 N ATOM 0 H ASN A 564 -2.418 -17.104 8.312 1.00 4.34 H new ATOM 0 HA ASN A 564 -5.042 -16.240 7.489 1.00 54.14 H new ATOM 0 HB2 ASN A 564 -4.301 -18.550 7.249 1.00 30.20 H new ATOM 0 HB3 ASN A 564 -3.998 -18.674 8.971 1.00 30.20 H new ATOM 0 HD21 ASN A 564 -7.150 -20.280 9.081 1.00 14.42 H new ATOM 0 HD22 ASN A 564 -5.393 -20.450 9.165 1.00 14.42 H new ATOM 951 N ASP A 565 -4.129 -16.156 10.604 1.00 25.23 N ATOM 952 CA ASP A 565 -4.461 -15.673 11.949 1.00 10.31 C ATOM 953 C ASP A 565 -4.209 -14.176 12.080 1.00 51.54 C ATOM 954 O ASP A 565 -4.967 -13.469 12.743 1.00 71.22 O ATOM 955 CB ASP A 565 -3.701 -16.459 13.034 1.00 3.24 C ATOM 956 CG ASP A 565 -2.199 -16.428 12.858 1.00 10.12 C ATOM 957 OD1 ASP A 565 -1.696 -17.069 11.906 1.00 43.44 O ATOM 958 OD2 ASP A 565 -1.495 -15.814 13.686 1.00 61.44 O ATOM 0 H ASP A 565 -3.173 -16.500 10.509 1.00 25.23 H new ATOM 0 HA ASP A 565 -5.527 -15.845 12.101 1.00 10.31 H new ATOM 0 HB2 ASP A 565 -3.953 -16.050 14.012 1.00 3.24 H new ATOM 0 HB3 ASP A 565 -4.039 -17.495 13.025 1.00 3.24 H new ATOM 963 N GLU A 566 -3.167 -13.695 11.437 1.00 64.12 N ATOM 964 CA GLU A 566 -2.834 -12.275 11.447 1.00 61.40 C ATOM 965 C GLU A 566 -3.772 -11.543 10.487 1.00 21.31 C ATOM 966 O GLU A 566 -3.780 -11.829 9.278 1.00 52.11 O ATOM 967 CB GLU A 566 -1.368 -12.079 11.012 1.00 55.24 C ATOM 968 CG GLU A 566 -0.854 -10.638 11.043 1.00 54.43 C ATOM 969 CD GLU A 566 -0.841 -10.030 12.430 1.00 31.21 C ATOM 970 OE1 GLU A 566 0.116 -10.235 13.188 1.00 51.03 O ATOM 971 OE2 GLU A 566 -1.788 -9.316 12.792 1.00 74.22 O ATOM 0 H GLU A 566 -2.524 -14.270 10.892 1.00 64.12 H new ATOM 0 HA GLU A 566 -2.954 -11.872 12.453 1.00 61.40 H new ATOM 0 HB2 GLU A 566 -0.733 -12.686 11.657 1.00 55.24 H new ATOM 0 HB3 GLU A 566 -1.254 -12.464 9.999 1.00 55.24 H new ATOM 0 HG2 GLU A 566 0.156 -10.612 10.634 1.00 54.43 H new ATOM 0 HG3 GLU A 566 -1.477 -10.025 10.392 1.00 54.43 H new ATOM 978 N ILE A 567 -4.575 -10.643 11.008 1.00 10.42 N ATOM 979 CA ILE A 567 -5.497 -9.904 10.182 1.00 63.22 C ATOM 980 C ILE A 567 -5.040 -8.484 10.079 1.00 34.32 C ATOM 981 O ILE A 567 -4.266 -8.042 10.920 1.00 33.45 O ATOM 982 CB ILE A 567 -6.929 -9.887 10.728 1.00 34.21 C ATOM 983 CG1 ILE A 567 -6.979 -9.170 12.073 1.00 12.10 C ATOM 984 CG2 ILE A 567 -7.458 -11.300 10.850 1.00 31.14 C ATOM 985 CD1 ILE A 567 -8.278 -8.488 12.311 1.00 34.22 C ATOM 0 H ILE A 567 -4.607 -10.407 12.000 1.00 10.42 H new ATOM 0 HA ILE A 567 -5.509 -10.408 9.215 1.00 63.22 H new ATOM 0 HB ILE A 567 -7.564 -9.341 10.030 1.00 34.21 H new ATOM 0 HG12 ILE A 567 -6.800 -9.890 12.871 1.00 12.10 H new ATOM 0 HG13 ILE A 567 -6.174 -8.436 12.119 1.00 12.10 H new ATOM 0 HG21 ILE A 567 -8.476 -11.275 11.239 1.00 31.14 H new ATOM 0 HG22 ILE A 567 -7.456 -11.775 9.869 1.00 31.14 H new ATOM 0 HG23 ILE A 567 -6.824 -11.869 11.530 1.00 31.14 H new ATOM 0 HD11 ILE A 567 -8.257 -7.995 13.283 1.00 34.22 H new ATOM 0 HD12 ILE A 567 -8.448 -7.746 11.531 1.00 34.22 H new ATOM 0 HD13 ILE A 567 -9.083 -9.223 12.294 1.00 34.22 H new ATOM 997 N VAL A 568 -5.581 -7.771 9.090 1.00 33.31 N ATOM 998 CA VAL A 568 -5.252 -6.369 8.763 1.00 52.22 C ATOM 999 C VAL A 568 -3.704 -6.113 8.784 1.00 72.55 C ATOM 1000 O VAL A 568 -2.910 -7.063 8.825 1.00 61.31 O ATOM 1001 CB VAL A 568 -6.054 -5.364 9.690 1.00 44.33 C ATOM 1002 CG1 VAL A 568 -5.429 -5.125 11.071 1.00 72.41 C ATOM 1003 CG2 VAL A 568 -6.402 -4.064 8.966 1.00 33.33 C ATOM 0 H VAL A 568 -6.288 -8.162 8.467 1.00 33.31 H new ATOM 0 HA VAL A 568 -5.574 -6.179 7.739 1.00 52.22 H new ATOM 0 HB VAL A 568 -6.993 -5.874 9.907 1.00 44.33 H new ATOM 0 HG11 VAL A 568 -6.046 -4.425 11.634 1.00 72.41 H new ATOM 0 HG12 VAL A 568 -5.368 -6.070 11.611 1.00 72.41 H new ATOM 0 HG13 VAL A 568 -4.428 -4.711 10.951 1.00 72.41 H new ATOM 0 HG21 VAL A 568 -6.951 -3.407 9.641 1.00 33.33 H new ATOM 0 HG22 VAL A 568 -5.485 -3.570 8.645 1.00 33.33 H new ATOM 0 HG23 VAL A 568 -7.019 -4.286 8.095 1.00 33.33 H new ATOM 1013 N LYS A 569 -3.284 -4.873 8.674 1.00 64.24 N ATOM 1014 CA LYS A 569 -1.889 -4.531 8.794 1.00 23.20 C ATOM 1015 C LYS A 569 -1.798 -3.030 8.782 1.00 12.41 C ATOM 1016 O LYS A 569 -2.738 -2.358 8.324 1.00 15.02 O ATOM 1017 CB LYS A 569 -1.088 -5.084 7.614 1.00 62.45 C ATOM 1018 CG LYS A 569 0.386 -5.441 7.872 1.00 12.41 C ATOM 1019 CD LYS A 569 0.594 -6.815 8.549 1.00 75.21 C ATOM 1020 CE LYS A 569 0.462 -6.810 10.072 1.00 30.24 C ATOM 1021 NZ LYS A 569 1.620 -6.183 10.761 1.00 71.45 N ATOM 0 H LYS A 569 -3.899 -4.078 8.500 1.00 64.24 H new ATOM 0 HA LYS A 569 -1.481 -4.956 9.711 1.00 23.20 H new ATOM 0 HB2 LYS A 569 -1.594 -5.979 7.252 1.00 62.45 H new ATOM 0 HB3 LYS A 569 -1.122 -4.350 6.809 1.00 62.45 H new ATOM 0 HG2 LYS A 569 0.922 -5.431 6.923 1.00 12.41 H new ATOM 0 HG3 LYS A 569 0.831 -4.668 8.499 1.00 12.41 H new ATOM 0 HD2 LYS A 569 -0.130 -7.519 8.139 1.00 75.21 H new ATOM 0 HD3 LYS A 569 1.584 -7.187 8.286 1.00 75.21 H new ATOM 0 HE2 LYS A 569 -0.448 -6.278 10.349 1.00 30.24 H new ATOM 0 HE3 LYS A 569 0.351 -7.836 10.423 1.00 30.24 H new ATOM 0 HZ1 LYS A 569 1.469 -6.211 11.790 1.00 71.45 H new ATOM 0 HZ2 LYS A 569 2.488 -6.704 10.524 1.00 71.45 H new ATOM 0 HZ3 LYS A 569 1.714 -5.194 10.452 1.00 71.45 H new ATOM 1035 N THR A 570 -0.727 -2.512 9.300 1.00 71.34 N ATOM 1036 CA THR A 570 -0.457 -1.115 9.275 1.00 23.23 C ATOM 1037 C THR A 570 0.977 -0.891 8.861 1.00 10.45 C ATOM 1038 O THR A 570 1.872 -1.654 9.253 1.00 43.41 O ATOM 1039 CB THR A 570 -0.700 -0.413 10.652 1.00 50.34 C ATOM 1040 OG1 THR A 570 -0.047 -1.112 11.725 1.00 43.21 O ATOM 1041 CG2 THR A 570 -2.174 -0.241 10.968 1.00 32.02 C ATOM 0 H THR A 570 -0.003 -3.064 9.761 1.00 71.34 H new ATOM 0 HA THR A 570 -1.151 -0.674 8.560 1.00 23.23 H new ATOM 0 HB THR A 570 -0.262 0.581 10.562 1.00 50.34 H new ATOM 0 HG1 THR A 570 0.048 -0.514 12.495 1.00 43.21 H new ATOM 0 HG21 THR A 570 -2.284 0.251 11.934 1.00 32.02 H new ATOM 0 HG22 THR A 570 -2.643 0.368 10.195 1.00 32.02 H new ATOM 0 HG23 THR A 570 -2.655 -1.218 11.002 1.00 32.02 H new ATOM 1049 N ILE A 571 1.193 0.077 8.017 1.00 65.42 N ATOM 1050 CA ILE A 571 2.536 0.491 7.706 1.00 53.01 C ATOM 1051 C ILE A 571 2.900 1.540 8.730 1.00 31.35 C ATOM 1052 O ILE A 571 2.252 2.576 8.794 1.00 4.12 O ATOM 1053 CB ILE A 571 2.717 1.105 6.260 1.00 61.43 C ATOM 1054 CG1 ILE A 571 2.492 0.083 5.140 1.00 72.52 C ATOM 1055 CG2 ILE A 571 4.094 1.700 6.106 1.00 60.34 C ATOM 1056 CD1 ILE A 571 1.073 -0.327 4.943 1.00 42.02 C ATOM 0 H ILE A 571 0.460 0.595 7.532 1.00 65.42 H new ATOM 0 HA ILE A 571 3.176 -0.391 7.729 1.00 53.01 H new ATOM 0 HB ILE A 571 1.954 1.878 6.165 1.00 61.43 H new ATOM 0 HG12 ILE A 571 2.868 0.500 4.206 1.00 72.52 H new ATOM 0 HG13 ILE A 571 3.086 -0.806 5.354 1.00 72.52 H new ATOM 0 HG21 ILE A 571 4.200 2.118 5.105 1.00 60.34 H new ATOM 0 HG22 ILE A 571 4.234 2.489 6.845 1.00 60.34 H new ATOM 0 HG23 ILE A 571 4.845 0.924 6.257 1.00 60.34 H new ATOM 0 HD11 ILE A 571 1.013 -1.051 4.131 1.00 42.02 H new ATOM 0 HD12 ILE A 571 0.694 -0.778 5.860 1.00 42.02 H new ATOM 0 HD13 ILE A 571 0.473 0.548 4.694 1.00 42.02 H new ATOM 1068 N SER A 572 3.850 1.243 9.563 1.00 2.03 N ATOM 1069 CA SER A 572 4.280 2.166 10.569 1.00 52.44 C ATOM 1070 C SER A 572 5.500 2.952 10.086 1.00 3.41 C ATOM 1071 O SER A 572 6.582 2.379 9.886 1.00 20.50 O ATOM 1072 CB SER A 572 4.563 1.390 11.853 1.00 23.22 C ATOM 1073 OG SER A 572 5.329 0.220 11.572 1.00 15.11 O ATOM 0 H SER A 572 4.349 0.354 9.565 1.00 2.03 H new ATOM 0 HA SER A 572 3.498 2.898 10.772 1.00 52.44 H new ATOM 0 HB2 SER A 572 5.102 2.024 12.557 1.00 23.22 H new ATOM 0 HB3 SER A 572 3.624 1.111 12.330 1.00 23.22 H new ATOM 0 HG SER A 572 6.031 0.437 10.924 1.00 15.11 H new ATOM 1079 N VAL A 573 5.321 4.238 9.861 1.00 54.23 N ATOM 1080 CA VAL A 573 6.401 5.087 9.378 1.00 74.52 C ATOM 1081 C VAL A 573 6.676 6.168 10.390 1.00 24.44 C ATOM 1082 O VAL A 573 5.737 6.750 10.953 1.00 12.04 O ATOM 1083 CB VAL A 573 6.074 5.760 8.007 1.00 25.05 C ATOM 1084 CG1 VAL A 573 7.254 6.582 7.484 1.00 52.30 C ATOM 1085 CG2 VAL A 573 5.666 4.734 6.983 1.00 31.32 C ATOM 0 H VAL A 573 4.435 4.723 10.004 1.00 54.23 H new ATOM 0 HA VAL A 573 7.271 4.446 9.235 1.00 74.52 H new ATOM 0 HB VAL A 573 5.238 6.438 8.177 1.00 25.05 H new ATOM 0 HG11 VAL A 573 6.987 7.034 6.529 1.00 52.30 H new ATOM 0 HG12 VAL A 573 7.498 7.366 8.201 1.00 52.30 H new ATOM 0 HG13 VAL A 573 8.119 5.932 7.349 1.00 52.30 H new ATOM 0 HG21 VAL A 573 5.444 5.231 6.038 1.00 31.32 H new ATOM 0 HG22 VAL A 573 6.479 4.023 6.837 1.00 31.32 H new ATOM 0 HG23 VAL A 573 4.779 4.205 7.332 1.00 31.32 H new ATOM 1095 N LYS A 574 7.936 6.426 10.619 1.00 52.11 N ATOM 1096 CA LYS A 574 8.357 7.446 11.551 1.00 21.51 C ATOM 1097 C LYS A 574 8.641 8.751 10.812 1.00 61.22 C ATOM 1098 O LYS A 574 9.336 8.765 9.789 1.00 50.34 O ATOM 1099 CB LYS A 574 9.602 6.973 12.312 1.00 72.24 C ATOM 1100 CG LYS A 574 10.218 7.998 13.257 1.00 12.13 C ATOM 1101 CD LYS A 574 11.548 7.508 13.819 1.00 41.41 C ATOM 1102 CE LYS A 574 11.403 6.238 14.648 1.00 53.14 C ATOM 1103 NZ LYS A 574 12.716 5.744 15.122 1.00 20.52 N ATOM 0 H LYS A 574 8.705 5.934 10.164 1.00 52.11 H new ATOM 0 HA LYS A 574 7.557 7.627 12.269 1.00 21.51 H new ATOM 0 HB2 LYS A 574 9.340 6.085 12.887 1.00 72.24 H new ATOM 0 HB3 LYS A 574 10.358 6.672 11.587 1.00 72.24 H new ATOM 0 HG2 LYS A 574 10.370 8.939 12.727 1.00 12.13 H new ATOM 0 HG3 LYS A 574 9.528 8.201 14.076 1.00 12.13 H new ATOM 0 HD2 LYS A 574 12.239 7.323 12.997 1.00 41.41 H new ATOM 0 HD3 LYS A 574 11.988 8.292 14.436 1.00 41.41 H new ATOM 0 HE2 LYS A 574 10.756 6.433 15.504 1.00 53.14 H new ATOM 0 HE3 LYS A 574 10.917 5.466 14.051 1.00 53.14 H new ATOM 0 HZ1 LYS A 574 12.580 4.879 15.683 1.00 20.52 H new ATOM 0 HZ2 LYS A 574 13.324 5.535 14.305 1.00 20.52 H new ATOM 0 HZ3 LYS A 574 13.168 6.471 15.712 1.00 20.52 H new ATOM 1117 N VAL A 575 8.087 9.824 11.305 1.00 71.30 N ATOM 1118 CA VAL A 575 8.325 11.142 10.743 1.00 33.23 C ATOM 1119 C VAL A 575 9.445 11.802 11.552 1.00 24.53 C ATOM 1120 O VAL A 575 9.542 11.583 12.762 1.00 72.51 O ATOM 1121 CB VAL A 575 7.030 12.016 10.780 1.00 73.14 C ATOM 1122 CG1 VAL A 575 7.263 13.396 10.173 1.00 54.52 C ATOM 1123 CG2 VAL A 575 5.893 11.309 10.049 1.00 15.52 C ATOM 0 H VAL A 575 7.457 9.819 12.107 1.00 71.30 H new ATOM 0 HA VAL A 575 8.616 11.050 9.697 1.00 33.23 H new ATOM 0 HB VAL A 575 6.756 12.153 11.826 1.00 73.14 H new ATOM 0 HG11 VAL A 575 6.340 13.974 10.217 1.00 54.52 H new ATOM 0 HG12 VAL A 575 8.042 13.913 10.733 1.00 54.52 H new ATOM 0 HG13 VAL A 575 7.574 13.289 9.134 1.00 54.52 H new ATOM 0 HG21 VAL A 575 4.997 11.929 10.083 1.00 15.52 H new ATOM 0 HG22 VAL A 575 6.178 11.139 9.011 1.00 15.52 H new ATOM 0 HG23 VAL A 575 5.690 10.352 10.530 1.00 15.52 H new ATOM 1133 N ILE A 576 10.297 12.558 10.903 1.00 70.32 N ATOM 1134 CA ILE A 576 11.419 13.190 11.571 1.00 23.14 C ATOM 1135 C ILE A 576 11.182 14.706 11.573 1.00 72.03 C ATOM 1136 O ILE A 576 10.319 15.212 10.847 1.00 71.50 O ATOM 1137 CB ILE A 576 12.783 12.864 10.855 1.00 3.44 C ATOM 1138 CG1 ILE A 576 12.938 11.359 10.587 1.00 11.52 C ATOM 1139 CG2 ILE A 576 13.978 13.349 11.675 1.00 63.03 C ATOM 1140 CD1 ILE A 576 12.958 10.478 11.803 1.00 52.42 C ATOM 0 H ILE A 576 10.237 12.754 9.904 1.00 70.32 H new ATOM 0 HA ILE A 576 11.488 12.805 12.589 1.00 23.14 H new ATOM 0 HB ILE A 576 12.764 13.394 9.903 1.00 3.44 H new ATOM 0 HG12 ILE A 576 12.120 11.038 9.942 1.00 11.52 H new ATOM 0 HG13 ILE A 576 13.863 11.201 10.032 1.00 11.52 H new ATOM 0 HG21 ILE A 576 14.902 13.107 11.150 1.00 63.03 H new ATOM 0 HG22 ILE A 576 13.911 14.428 11.812 1.00 63.03 H new ATOM 0 HG23 ILE A 576 13.975 12.858 12.648 1.00 63.03 H new ATOM 0 HD11 ILE A 576 13.071 9.438 11.497 1.00 52.42 H new ATOM 0 HD12 ILE A 576 13.793 10.761 12.444 1.00 52.42 H new ATOM 0 HD13 ILE A 576 12.024 10.595 12.352 1.00 52.42 H new ATOM 1152 N ASP A 577 11.862 15.405 12.435 1.00 14.01 N ATOM 1153 CA ASP A 577 11.775 16.856 12.492 1.00 32.04 C ATOM 1154 C ASP A 577 12.610 17.451 11.355 1.00 52.21 C ATOM 1155 O ASP A 577 13.657 16.901 11.002 1.00 55.40 O ATOM 1156 CB ASP A 577 12.245 17.388 13.858 1.00 33.01 C ATOM 1157 CG ASP A 577 13.709 17.132 14.153 1.00 31.40 C ATOM 1158 OD1 ASP A 577 14.069 15.983 14.503 1.00 32.12 O ATOM 1159 OD2 ASP A 577 14.527 18.082 14.083 1.00 53.54 O ATOM 0 H ASP A 577 12.495 14.996 13.122 1.00 14.01 H new ATOM 0 HA ASP A 577 10.734 17.157 12.371 1.00 32.04 H new ATOM 0 HB2 ASP A 577 12.059 18.461 13.901 1.00 33.01 H new ATOM 0 HB3 ASP A 577 11.642 16.929 14.641 1.00 33.01 H new ATOM 1164 N ASP A 578 12.142 18.560 10.780 1.00 65.13 N ATOM 1165 CA ASP A 578 12.803 19.165 9.601 1.00 64.00 C ATOM 1166 C ASP A 578 14.227 19.539 9.790 1.00 3.21 C ATOM 1167 O ASP A 578 14.613 20.133 10.802 1.00 42.32 O ATOM 1168 CB ASP A 578 12.067 20.332 9.001 1.00 33.30 C ATOM 1169 CG ASP A 578 11.111 19.920 7.939 1.00 42.40 C ATOM 1170 OD1 ASP A 578 11.565 19.285 6.938 1.00 74.24 O ATOM 1171 OD2 ASP A 578 9.881 20.217 8.078 1.00 11.32 O ATOM 0 H ASP A 578 11.314 19.062 11.102 1.00 65.13 H new ATOM 0 HA ASP A 578 12.771 18.334 8.897 1.00 64.00 H new ATOM 0 HB2 ASP A 578 11.526 20.859 9.787 1.00 33.30 H new ATOM 0 HB3 ASP A 578 12.787 21.035 8.583 1.00 33.30 H new ATOM 1176 N GLU A 579 14.981 19.219 8.786 1.00 51.15 N ATOM 1177 CA GLU A 579 16.389 19.408 8.737 1.00 53.40 C ATOM 1178 C GLU A 579 16.798 20.573 7.789 1.00 52.10 C ATOM 1179 O GLU A 579 17.851 21.195 7.973 1.00 13.13 O ATOM 1180 CB GLU A 579 17.030 18.102 8.218 1.00 61.20 C ATOM 1181 CG GLU A 579 16.813 17.790 6.705 1.00 63.44 C ATOM 1182 CD GLU A 579 15.407 17.314 6.226 1.00 10.31 C ATOM 1183 OE1 GLU A 579 14.300 17.885 6.645 1.00 42.24 O ATOM 1184 OE2 GLU A 579 15.377 16.460 5.335 1.00 2.51 O ATOM 0 H GLU A 579 14.607 18.797 7.936 1.00 51.15 H new ATOM 0 HA GLU A 579 16.733 19.661 9.740 1.00 53.40 H new ATOM 0 HB2 GLU A 579 18.102 18.145 8.410 1.00 61.20 H new ATOM 0 HB3 GLU A 579 16.635 17.270 8.801 1.00 61.20 H new ATOM 0 HG2 GLU A 579 17.065 18.690 6.144 1.00 63.44 H new ATOM 0 HG3 GLU A 579 17.535 17.024 6.420 1.00 63.44 H new ATOM 1191 N GLU A 580 15.970 20.870 6.799 1.00 33.13 N ATOM 1192 CA GLU A 580 16.356 21.787 5.741 1.00 72.33 C ATOM 1193 C GLU A 580 15.588 23.128 5.802 1.00 43.24 C ATOM 1194 O GLU A 580 16.155 24.164 6.165 1.00 10.20 O ATOM 1195 CB GLU A 580 16.260 21.083 4.318 1.00 72.25 C ATOM 1196 CG GLU A 580 14.841 20.771 3.717 1.00 51.24 C ATOM 1197 CD GLU A 580 13.937 19.916 4.576 1.00 45.51 C ATOM 1198 OE1 GLU A 580 13.668 20.220 5.710 1.00 64.14 O ATOM 1199 OE2 GLU A 580 13.430 18.893 4.176 1.00 23.30 O ATOM 0 H GLU A 580 15.028 20.489 6.707 1.00 33.13 H new ATOM 0 HA GLU A 580 17.401 22.050 5.902 1.00 72.33 H new ATOM 0 HB2 GLU A 580 16.789 21.713 3.603 1.00 72.25 H new ATOM 0 HB3 GLU A 580 16.806 20.142 4.379 1.00 72.25 H new ATOM 0 HG2 GLU A 580 14.335 21.716 3.519 1.00 51.24 H new ATOM 0 HG3 GLU A 580 14.975 20.274 2.756 1.00 51.24 H new ATOM 1206 N TYR A 581 14.323 23.068 5.513 1.00 32.13 N ATOM 1207 CA TYR A 581 13.423 24.185 5.437 1.00 42.42 C ATOM 1208 C TYR A 581 12.063 23.573 5.517 1.00 60.31 C ATOM 1209 O TYR A 581 11.902 22.394 5.164 1.00 62.13 O ATOM 1210 CB TYR A 581 13.587 24.997 4.119 1.00 54.52 C ATOM 1211 CG TYR A 581 13.288 24.238 2.833 1.00 53.32 C ATOM 1212 CD1 TYR A 581 11.979 24.037 2.408 1.00 22.22 C ATOM 1213 CD2 TYR A 581 14.309 23.730 2.052 1.00 14.35 C ATOM 1214 CE1 TYR A 581 11.701 23.354 1.259 1.00 60.51 C ATOM 1215 CE2 TYR A 581 14.041 23.041 0.886 1.00 74.10 C ATOM 1216 CZ TYR A 581 12.736 22.852 0.494 1.00 71.21 C ATOM 1217 OH TYR A 581 12.467 22.174 -0.675 1.00 64.12 O ATOM 0 H TYR A 581 13.860 22.182 5.311 1.00 32.13 H new ATOM 0 HA TYR A 581 13.616 24.902 6.235 1.00 42.42 H new ATOM 0 HB2 TYR A 581 12.932 25.867 4.166 1.00 54.52 H new ATOM 0 HB3 TYR A 581 14.610 25.370 4.069 1.00 54.52 H new ATOM 0 HD1 TYR A 581 11.165 24.430 3.000 1.00 22.22 H new ATOM 0 HD2 TYR A 581 15.334 23.875 2.359 1.00 14.35 H new ATOM 0 HE1 TYR A 581 10.677 23.207 0.950 1.00 60.51 H new ATOM 0 HE2 TYR A 581 14.851 22.653 0.286 1.00 74.10 H new ATOM 0 HH TYR A 581 13.308 21.890 -1.089 1.00 64.12 H new ATOM 1227 N GLU A 582 11.102 24.273 5.974 1.00 4.34 N ATOM 1228 CA GLU A 582 9.865 23.627 6.185 1.00 51.34 C ATOM 1229 C GLU A 582 8.810 23.899 5.139 1.00 34.04 C ATOM 1230 O GLU A 582 8.626 25.022 4.662 1.00 23.44 O ATOM 1231 CB GLU A 582 9.394 23.788 7.605 1.00 73.11 C ATOM 1232 CG GLU A 582 10.461 23.334 8.589 1.00 10.31 C ATOM 1233 CD GLU A 582 9.942 23.017 9.938 1.00 53.31 C ATOM 1234 OE1 GLU A 582 9.405 21.880 10.112 1.00 53.02 O ATOM 1235 OE2 GLU A 582 10.077 23.830 10.842 1.00 31.31 O ATOM 0 H GLU A 582 11.139 25.266 6.205 1.00 4.34 H new ATOM 0 HA GLU A 582 10.058 22.564 6.040 1.00 51.34 H new ATOM 0 HB2 GLU A 582 9.143 24.832 7.792 1.00 73.11 H new ATOM 0 HB3 GLU A 582 8.484 23.208 7.758 1.00 73.11 H new ATOM 0 HG2 GLU A 582 10.960 22.452 8.187 1.00 10.31 H new ATOM 0 HG3 GLU A 582 11.216 24.115 8.676 1.00 10.31 H new ATOM 1242 N LYS A 583 8.156 22.827 4.775 1.00 74.03 N ATOM 1243 CA LYS A 583 7.099 22.782 3.802 1.00 53.11 C ATOM 1244 C LYS A 583 6.237 21.588 4.169 1.00 21.42 C ATOM 1245 O LYS A 583 6.667 20.757 4.996 1.00 73.03 O ATOM 1246 CB LYS A 583 7.671 22.511 2.386 1.00 21.23 C ATOM 1247 CG LYS A 583 8.474 21.194 2.293 1.00 33.45 C ATOM 1248 CD LYS A 583 8.338 20.517 0.927 1.00 14.11 C ATOM 1249 CE LYS A 583 8.947 21.314 -0.205 1.00 43.25 C ATOM 1250 NZ LYS A 583 8.617 20.711 -1.512 1.00 2.11 N ATOM 0 H LYS A 583 8.360 21.910 5.173 1.00 74.03 H new ATOM 0 HA LYS A 583 6.555 23.726 3.796 1.00 53.11 H new ATOM 0 HB2 LYS A 583 6.850 22.479 1.670 1.00 21.23 H new ATOM 0 HB3 LYS A 583 8.314 23.342 2.096 1.00 21.23 H new ATOM 0 HG2 LYS A 583 9.526 21.400 2.489 1.00 33.45 H new ATOM 0 HG3 LYS A 583 8.133 20.509 3.069 1.00 33.45 H new ATOM 0 HD2 LYS A 583 8.813 19.537 0.967 1.00 14.11 H new ATOM 0 HD3 LYS A 583 7.282 20.351 0.716 1.00 14.11 H new ATOM 0 HE2 LYS A 583 8.581 22.340 -0.171 1.00 43.25 H new ATOM 0 HE3 LYS A 583 10.029 21.358 -0.083 1.00 43.25 H new ATOM 0 HZ1 LYS A 583 9.141 21.203 -2.264 1.00 2.11 H new ATOM 0 HZ2 LYS A 583 8.882 19.705 -1.507 1.00 2.11 H new ATOM 0 HZ3 LYS A 583 7.596 20.799 -1.687 1.00 2.11 H new ATOM 1264 N ASN A 584 5.065 21.480 3.593 1.00 62.43 N ATOM 1265 CA ASN A 584 4.307 20.258 3.738 1.00 41.32 C ATOM 1266 C ASN A 584 4.785 19.358 2.654 1.00 34.14 C ATOM 1267 O ASN A 584 4.757 19.727 1.477 1.00 12.30 O ATOM 1268 CB ASN A 584 2.780 20.437 3.646 1.00 50.01 C ATOM 1269 CG ASN A 584 2.195 21.251 4.779 1.00 71.04 C ATOM 1270 OD1 ASN A 584 2.798 21.383 5.844 1.00 63.34 O ATOM 1271 ND2 ASN A 584 0.988 21.719 4.607 1.00 51.22 N ATOM 0 H ASN A 584 4.621 22.206 3.030 1.00 62.43 H new ATOM 0 HA ASN A 584 4.471 19.856 4.738 1.00 41.32 H new ATOM 0 HB2 ASN A 584 2.536 20.919 2.700 1.00 50.01 H new ATOM 0 HB3 ASN A 584 2.308 19.455 3.634 1.00 50.01 H new ATOM 0 HD21 ASN A 584 0.518 22.210 5.368 1.00 51.22 H new ATOM 0 HD22 ASN A 584 0.515 21.593 3.712 1.00 51.22 H new ATOM 1278 N LYS A 585 5.243 18.213 3.012 1.00 1.31 N ATOM 1279 CA LYS A 585 5.884 17.368 2.054 1.00 72.54 C ATOM 1280 C LYS A 585 5.140 16.047 1.996 1.00 70.34 C ATOM 1281 O LYS A 585 4.225 15.831 2.792 1.00 23.53 O ATOM 1282 CB LYS A 585 7.415 17.244 2.381 1.00 63.30 C ATOM 1283 CG LYS A 585 7.879 16.149 3.356 1.00 51.12 C ATOM 1284 CD LYS A 585 7.132 16.079 4.679 1.00 23.23 C ATOM 1285 CE LYS A 585 7.228 17.344 5.562 1.00 53.10 C ATOM 1286 NZ LYS A 585 8.603 17.646 6.013 1.00 21.33 N ATOM 0 H LYS A 585 5.189 17.834 3.958 1.00 1.31 H new ATOM 0 HA LYS A 585 5.841 17.795 1.052 1.00 72.54 H new ATOM 0 HB2 LYS A 585 7.942 17.092 1.439 1.00 63.30 H new ATOM 0 HB3 LYS A 585 7.746 18.203 2.780 1.00 63.30 H new ATOM 0 HG2 LYS A 585 7.788 15.184 2.858 1.00 51.12 H new ATOM 0 HG3 LYS A 585 8.938 16.301 3.566 1.00 51.12 H new ATOM 0 HD2 LYS A 585 6.080 15.879 4.473 1.00 23.23 H new ATOM 0 HD3 LYS A 585 7.512 15.230 5.247 1.00 23.23 H new ATOM 0 HE2 LYS A 585 6.842 18.197 5.004 1.00 53.10 H new ATOM 0 HE3 LYS A 585 6.587 17.218 6.435 1.00 53.10 H new ATOM 0 HZ1 LYS A 585 8.569 18.110 6.943 1.00 21.33 H new ATOM 0 HZ2 LYS A 585 9.146 16.762 6.086 1.00 21.33 H new ATOM 0 HZ3 LYS A 585 9.062 18.279 5.327 1.00 21.33 H new ATOM 1300 N THR A 586 5.492 15.182 1.090 1.00 63.30 N ATOM 1301 CA THR A 586 4.750 13.972 0.930 1.00 31.25 C ATOM 1302 C THR A 586 5.600 12.866 0.352 1.00 34.30 C ATOM 1303 O THR A 586 6.548 13.123 -0.410 1.00 43.40 O ATOM 1304 CB THR A 586 3.436 14.228 0.100 1.00 61.45 C ATOM 1305 OG1 THR A 586 2.679 13.036 -0.078 1.00 53.42 O ATOM 1306 CG2 THR A 586 3.709 14.847 -1.261 1.00 21.52 C ATOM 0 H THR A 586 6.283 15.293 0.456 1.00 63.30 H new ATOM 0 HA THR A 586 4.443 13.629 1.918 1.00 31.25 H new ATOM 0 HB THR A 586 2.858 14.938 0.692 1.00 61.45 H new ATOM 0 HG1 THR A 586 2.846 12.427 0.672 1.00 53.42 H new ATOM 0 HG21 THR A 586 2.767 15.000 -1.787 1.00 21.52 H new ATOM 0 HG22 THR A 586 4.212 15.805 -1.131 1.00 21.52 H new ATOM 0 HG23 THR A 586 4.345 14.180 -1.843 1.00 21.52 H new ATOM 1314 N PHE A 587 5.289 11.665 0.784 1.00 44.50 N ATOM 1315 CA PHE A 587 5.923 10.463 0.345 1.00 63.02 C ATOM 1316 C PHE A 587 4.881 9.442 -0.032 1.00 0.34 C ATOM 1317 O PHE A 587 3.768 9.437 0.524 1.00 63.34 O ATOM 1318 CB PHE A 587 6.942 9.908 1.369 1.00 2.12 C ATOM 1319 CG PHE A 587 6.594 10.013 2.848 1.00 13.33 C ATOM 1320 CD1 PHE A 587 5.648 9.196 3.470 1.00 63.32 C ATOM 1321 CD2 PHE A 587 7.280 10.911 3.627 1.00 25.11 C ATOM 1322 CE1 PHE A 587 5.425 9.299 4.839 1.00 73.10 C ATOM 1323 CE2 PHE A 587 7.049 11.015 4.979 1.00 21.10 C ATOM 1324 CZ PHE A 587 6.127 10.205 5.584 1.00 32.23 C ATOM 0 H PHE A 587 4.558 11.503 1.477 1.00 44.50 H new ATOM 0 HA PHE A 587 6.511 10.703 -0.541 1.00 63.02 H new ATOM 0 HB2 PHE A 587 7.109 8.856 1.138 1.00 2.12 H new ATOM 0 HB3 PHE A 587 7.890 10.423 1.211 1.00 2.12 H new ATOM 0 HD1 PHE A 587 5.087 8.481 2.886 1.00 63.32 H new ATOM 0 HD2 PHE A 587 8.019 11.551 3.168 1.00 25.11 H new ATOM 0 HE1 PHE A 587 4.695 8.661 5.315 1.00 73.10 H new ATOM 0 HE2 PHE A 587 7.597 11.738 5.565 1.00 21.10 H new ATOM 0 HZ PHE A 587 5.954 10.281 6.647 1.00 32.23 H new ATOM 1334 N PHE A 588 5.220 8.600 -0.968 1.00 74.00 N ATOM 1335 CA PHE A 588 4.292 7.630 -1.480 1.00 32.52 C ATOM 1336 C PHE A 588 4.629 6.278 -0.911 1.00 13.24 C ATOM 1337 O PHE A 588 5.792 5.894 -0.866 1.00 21.40 O ATOM 1338 CB PHE A 588 4.364 7.564 -3.016 1.00 21.33 C ATOM 1339 CG PHE A 588 4.377 8.909 -3.700 1.00 74.11 C ATOM 1340 CD1 PHE A 588 3.268 9.736 -3.679 1.00 15.10 C ATOM 1341 CD2 PHE A 588 5.508 9.334 -4.371 1.00 4.12 C ATOM 1342 CE1 PHE A 588 3.292 10.966 -4.314 1.00 25.11 C ATOM 1343 CE2 PHE A 588 5.542 10.557 -5.007 1.00 40.51 C ATOM 1344 CZ PHE A 588 4.431 11.376 -4.978 1.00 22.42 C ATOM 0 H PHE A 588 6.145 8.566 -1.397 1.00 74.00 H new ATOM 0 HA PHE A 588 3.283 7.923 -1.190 1.00 32.52 H new ATOM 0 HB2 PHE A 588 5.262 7.016 -3.302 1.00 21.33 H new ATOM 0 HB3 PHE A 588 3.512 6.992 -3.383 1.00 21.33 H new ATOM 0 HD1 PHE A 588 2.374 9.419 -3.162 1.00 15.10 H new ATOM 0 HD2 PHE A 588 6.380 8.697 -4.398 1.00 4.12 H new ATOM 0 HE1 PHE A 588 2.421 11.604 -4.290 1.00 25.11 H new ATOM 0 HE2 PHE A 588 6.435 10.873 -5.526 1.00 40.51 H new ATOM 0 HZ PHE A 588 4.453 12.335 -5.474 1.00 22.42 H new ATOM 1354 N LEU A 589 3.647 5.585 -0.446 1.00 3.15 N ATOM 1355 CA LEU A 589 3.846 4.253 0.036 1.00 11.31 C ATOM 1356 C LEU A 589 3.260 3.339 -1.018 1.00 30.54 C ATOM 1357 O LEU A 589 2.093 3.495 -1.410 1.00 13.14 O ATOM 1358 CB LEU A 589 3.125 4.052 1.389 1.00 41.35 C ATOM 1359 CG LEU A 589 3.659 2.961 2.351 1.00 24.44 C ATOM 1360 CD1 LEU A 589 3.676 1.576 1.737 1.00 22.53 C ATOM 1361 CD2 LEU A 589 5.020 3.334 2.866 1.00 70.43 C ATOM 0 H LEU A 589 2.685 5.920 -0.387 1.00 3.15 H new ATOM 0 HA LEU A 589 4.902 4.043 0.205 1.00 11.31 H new ATOM 0 HB2 LEU A 589 3.145 5.003 1.921 1.00 41.35 H new ATOM 0 HB3 LEU A 589 2.080 3.827 1.178 1.00 41.35 H new ATOM 0 HG LEU A 589 2.960 2.914 3.186 1.00 24.44 H new ATOM 0 HD11 LEU A 589 4.061 0.861 2.464 1.00 22.53 H new ATOM 0 HD12 LEU A 589 2.663 1.293 1.450 1.00 22.53 H new ATOM 0 HD13 LEU A 589 4.316 1.577 0.855 1.00 22.53 H new ATOM 0 HD21 LEU A 589 5.380 2.557 3.540 1.00 70.43 H new ATOM 0 HD22 LEU A 589 5.710 3.436 2.029 1.00 70.43 H new ATOM 0 HD23 LEU A 589 4.959 4.280 3.403 1.00 70.43 H new ATOM 1373 N GLU A 590 4.052 2.448 -1.509 1.00 42.32 N ATOM 1374 CA GLU A 590 3.610 1.513 -2.494 1.00 61.02 C ATOM 1375 C GLU A 590 4.034 0.136 -2.040 1.00 71.44 C ATOM 1376 O GLU A 590 5.078 -0.009 -1.385 1.00 32.11 O ATOM 1377 CB GLU A 590 4.233 1.843 -3.856 1.00 3.52 C ATOM 1378 CG GLU A 590 3.693 1.008 -5.004 1.00 73.13 C ATOM 1379 CD GLU A 590 4.413 1.259 -6.298 1.00 10.34 C ATOM 1380 OE1 GLU A 590 4.031 2.181 -7.047 1.00 30.33 O ATOM 1381 OE2 GLU A 590 5.346 0.514 -6.616 1.00 53.22 O ATOM 0 H GLU A 590 5.030 2.345 -1.239 1.00 42.32 H new ATOM 0 HA GLU A 590 2.527 1.558 -2.605 1.00 61.02 H new ATOM 0 HB2 GLU A 590 4.062 2.897 -4.076 1.00 3.52 H new ATOM 0 HB3 GLU A 590 5.312 1.701 -3.794 1.00 3.52 H new ATOM 0 HG2 GLU A 590 3.774 -0.048 -4.748 1.00 73.13 H new ATOM 0 HG3 GLU A 590 2.633 1.224 -5.136 1.00 73.13 H new ATOM 1388 N ILE A 591 3.223 -0.844 -2.336 1.00 63.40 N ATOM 1389 CA ILE A 591 3.518 -2.205 -1.990 1.00 53.50 C ATOM 1390 C ILE A 591 3.921 -2.955 -3.244 1.00 51.12 C ATOM 1391 O ILE A 591 3.524 -2.573 -4.363 1.00 40.34 O ATOM 1392 CB ILE A 591 2.326 -2.911 -1.277 1.00 54.41 C ATOM 1393 CG1 ILE A 591 1.063 -2.918 -2.150 1.00 3.11 C ATOM 1394 CG2 ILE A 591 2.045 -2.249 0.073 1.00 63.32 C ATOM 1395 CD1 ILE A 591 -0.127 -3.593 -1.493 1.00 71.23 C ATOM 0 H ILE A 591 2.337 -0.719 -2.825 1.00 63.40 H new ATOM 0 HA ILE A 591 4.342 -2.206 -1.276 1.00 53.50 H new ATOM 0 HB ILE A 591 2.610 -3.950 -1.108 1.00 54.41 H new ATOM 0 HG12 ILE A 591 0.796 -1.890 -2.397 1.00 3.11 H new ATOM 0 HG13 ILE A 591 1.284 -3.424 -3.090 1.00 3.11 H new ATOM 0 HG21 ILE A 591 1.210 -2.753 0.559 1.00 63.32 H new ATOM 0 HG22 ILE A 591 2.930 -2.322 0.705 1.00 63.32 H new ATOM 0 HG23 ILE A 591 1.795 -1.199 -0.082 1.00 63.32 H new ATOM 0 HD11 ILE A 591 -0.982 -3.560 -2.168 1.00 71.23 H new ATOM 0 HD12 ILE A 591 0.120 -4.631 -1.271 1.00 71.23 H new ATOM 0 HD13 ILE A 591 -0.375 -3.073 -0.567 1.00 71.23 H new ATOM 1407 N GLY A 592 4.717 -3.965 -3.080 1.00 64.15 N ATOM 1408 CA GLY A 592 5.193 -4.711 -4.202 1.00 14.21 C ATOM 1409 C GLY A 592 4.405 -5.967 -4.445 1.00 55.31 C ATOM 1410 O GLY A 592 3.206 -6.040 -4.152 1.00 62.34 O ATOM 0 H GLY A 592 5.052 -4.293 -2.174 1.00 64.15 H new ATOM 0 HA2 GLY A 592 5.152 -4.084 -5.093 1.00 14.21 H new ATOM 0 HA3 GLY A 592 6.240 -4.970 -4.042 1.00 14.21 H new ATOM 1414 N GLU A 593 5.073 -6.937 -4.989 1.00 24.10 N ATOM 1415 CA GLU A 593 4.508 -8.210 -5.294 1.00 62.54 C ATOM 1416 C GLU A 593 4.419 -9.085 -4.062 1.00 53.41 C ATOM 1417 O GLU A 593 5.425 -9.334 -3.392 1.00 52.03 O ATOM 1418 CB GLU A 593 5.302 -8.848 -6.451 1.00 34.24 C ATOM 1419 CG GLU A 593 5.253 -10.357 -6.588 1.00 62.11 C ATOM 1420 CD GLU A 593 6.412 -11.033 -5.856 1.00 23.05 C ATOM 1421 OE1 GLU A 593 7.585 -10.728 -6.157 1.00 21.40 O ATOM 1422 OE2 GLU A 593 6.185 -11.889 -4.992 1.00 71.40 O ATOM 0 H GLU A 593 6.059 -6.859 -5.240 1.00 24.10 H new ATOM 0 HA GLU A 593 3.478 -8.090 -5.629 1.00 62.54 H new ATOM 0 HB2 GLU A 593 4.943 -8.414 -7.384 1.00 34.24 H new ATOM 0 HB3 GLU A 593 6.346 -8.554 -6.344 1.00 34.24 H new ATOM 0 HG2 GLU A 593 4.308 -10.727 -6.191 1.00 62.11 H new ATOM 0 HG3 GLU A 593 5.283 -10.627 -7.644 1.00 62.11 H new ATOM 1429 N PRO A 594 3.213 -9.521 -3.715 1.00 31.35 N ATOM 1430 CA PRO A 594 3.021 -10.407 -2.609 1.00 14.51 C ATOM 1431 C PRO A 594 3.315 -11.834 -3.028 1.00 24.32 C ATOM 1432 O PRO A 594 3.056 -12.235 -4.171 1.00 50.01 O ATOM 1433 CB PRO A 594 1.550 -10.235 -2.278 1.00 33.13 C ATOM 1434 CG PRO A 594 0.926 -9.992 -3.586 1.00 71.44 C ATOM 1435 CD PRO A 594 1.927 -9.186 -4.375 1.00 25.13 C ATOM 0 HA PRO A 594 3.674 -10.195 -1.762 1.00 14.51 H new ATOM 0 HB2 PRO A 594 1.141 -11.124 -1.798 1.00 33.13 H new ATOM 0 HB3 PRO A 594 1.388 -9.401 -1.596 1.00 33.13 H new ATOM 0 HG2 PRO A 594 0.696 -10.931 -4.090 1.00 71.44 H new ATOM 0 HG3 PRO A 594 -0.013 -9.450 -3.477 1.00 71.44 H new ATOM 0 HD2 PRO A 594 1.929 -9.464 -5.429 1.00 25.13 H new ATOM 0 HD3 PRO A 594 1.714 -8.118 -4.327 1.00 25.13 H new ATOM 1443 N ARG A 595 3.835 -12.586 -2.142 1.00 53.24 N ATOM 1444 CA ARG A 595 4.193 -13.929 -2.443 1.00 13.54 C ATOM 1445 C ARG A 595 3.782 -14.819 -1.342 1.00 22.43 C ATOM 1446 O ARG A 595 3.802 -14.422 -0.163 1.00 35.30 O ATOM 1447 CB ARG A 595 5.685 -14.049 -2.740 1.00 10.45 C ATOM 1448 CG ARG A 595 6.589 -13.412 -1.699 1.00 31.13 C ATOM 1449 CD ARG A 595 8.037 -13.499 -2.123 1.00 72.42 C ATOM 1450 NE ARG A 595 8.260 -12.898 -3.448 1.00 70.22 N ATOM 1451 CZ ARG A 595 9.404 -12.977 -4.128 1.00 50.45 C ATOM 1452 NH1 ARG A 595 10.470 -13.548 -3.573 1.00 43.44 N ATOM 1453 NH2 ARG A 595 9.500 -12.451 -5.343 1.00 4.33 N ATOM 0 H ARG A 595 4.029 -12.297 -1.183 1.00 53.24 H new ATOM 0 HA ARG A 595 3.665 -14.238 -3.345 1.00 13.54 H new ATOM 0 HB2 ARG A 595 5.941 -15.105 -2.828 1.00 10.45 H new ATOM 0 HB3 ARG A 595 5.888 -13.591 -3.708 1.00 10.45 H new ATOM 0 HG2 ARG A 595 6.309 -12.368 -1.557 1.00 31.13 H new ATOM 0 HG3 ARG A 595 6.455 -13.912 -0.740 1.00 31.13 H new ATOM 0 HD2 ARG A 595 8.662 -12.994 -1.386 1.00 72.42 H new ATOM 0 HD3 ARG A 595 8.347 -14.544 -2.142 1.00 72.42 H new ATOM 0 HE ARG A 595 7.487 -12.387 -3.875 1.00 70.22 H new ATOM 0 HH11 ARG A 595 10.412 -13.925 -2.627 1.00 43.44 H new ATOM 0 HH12 ARG A 595 11.345 -13.608 -4.093 1.00 43.44 H new ATOM 0 HH21 ARG A 595 8.696 -11.983 -5.761 1.00 4.33 H new ATOM 0 HH22 ARG A 595 10.378 -12.515 -5.858 1.00 4.33 H new ATOM 1467 N LEU A 596 3.363 -15.988 -1.701 1.00 62.35 N ATOM 1468 CA LEU A 596 2.947 -16.949 -0.748 1.00 20.11 C ATOM 1469 C LEU A 596 4.222 -17.527 -0.151 1.00 31.23 C ATOM 1470 O LEU A 596 5.128 -17.929 -0.891 1.00 4.02 O ATOM 1471 CB LEU A 596 2.139 -18.051 -1.452 1.00 20.54 C ATOM 1472 CG LEU A 596 0.843 -18.549 -0.773 1.00 14.12 C ATOM 1473 CD1 LEU A 596 0.995 -18.727 0.725 1.00 23.31 C ATOM 1474 CD2 LEU A 596 -0.346 -17.670 -1.120 1.00 72.31 C ATOM 0 H LEU A 596 3.301 -16.300 -2.670 1.00 62.35 H new ATOM 0 HA LEU A 596 2.314 -16.512 0.024 1.00 20.11 H new ATOM 0 HB2 LEU A 596 1.877 -17.689 -2.446 1.00 20.54 H new ATOM 0 HB3 LEU A 596 2.795 -18.910 -1.589 1.00 20.54 H new ATOM 0 HG LEU A 596 0.646 -19.541 -1.179 1.00 14.12 H new ATOM 0 HD11 LEU A 596 0.053 -19.078 1.147 1.00 23.31 H new ATOM 0 HD12 LEU A 596 1.778 -19.458 0.927 1.00 23.31 H new ATOM 0 HD13 LEU A 596 1.263 -17.773 1.179 1.00 23.31 H new ATOM 0 HD21 LEU A 596 -1.238 -18.052 -0.624 1.00 72.31 H new ATOM 0 HD22 LEU A 596 -0.154 -16.650 -0.786 1.00 72.31 H new ATOM 0 HD23 LEU A 596 -0.500 -17.676 -2.199 1.00 72.31 H new ATOM 1486 N VAL A 597 4.329 -17.511 1.156 1.00 32.20 N ATOM 1487 CA VAL A 597 5.522 -18.047 1.811 1.00 41.25 C ATOM 1488 C VAL A 597 5.488 -19.546 1.677 1.00 21.11 C ATOM 1489 O VAL A 597 6.503 -20.206 1.441 1.00 64.01 O ATOM 1490 CB VAL A 597 5.593 -17.650 3.305 1.00 3.35 C ATOM 1491 CG1 VAL A 597 6.891 -18.133 3.946 1.00 53.34 C ATOM 1492 CG2 VAL A 597 5.453 -16.156 3.450 1.00 1.25 C ATOM 0 H VAL A 597 3.621 -17.140 1.789 1.00 32.20 H new ATOM 0 HA VAL A 597 6.408 -17.630 1.332 1.00 41.25 H new ATOM 0 HB VAL A 597 4.767 -18.135 3.826 1.00 3.35 H new ATOM 0 HG11 VAL A 597 6.910 -17.838 4.995 1.00 53.34 H new ATOM 0 HG12 VAL A 597 6.951 -19.219 3.873 1.00 53.34 H new ATOM 0 HG13 VAL A 597 7.740 -17.687 3.428 1.00 53.34 H new ATOM 0 HG21 VAL A 597 5.504 -15.886 4.505 1.00 1.25 H new ATOM 0 HG22 VAL A 597 6.260 -15.661 2.909 1.00 1.25 H new ATOM 0 HG23 VAL A 597 4.494 -15.839 3.041 1.00 1.25 H new ATOM 2055 N ARG A 633 -0.313 -16.983 -7.870 1.00 1.12 N ATOM 2056 CA ARG A 633 0.300 -16.235 -6.802 1.00 45.55 C ATOM 2057 C ARG A 633 -0.734 -15.274 -6.273 1.00 51.51 C ATOM 2058 O ARG A 633 -1.771 -15.077 -6.919 1.00 31.21 O ATOM 2059 CB ARG A 633 1.442 -15.396 -7.354 1.00 73.20 C ATOM 2060 CG ARG A 633 2.465 -16.153 -8.146 1.00 4.04 C ATOM 2061 CD ARG A 633 3.452 -15.200 -8.771 1.00 53.24 C ATOM 2062 NE ARG A 633 4.648 -15.033 -7.972 1.00 25.54 N ATOM 2063 CZ ARG A 633 4.861 -14.152 -7.009 1.00 64.04 C ATOM 2064 NH1 ARG A 633 3.890 -13.346 -6.578 1.00 32.33 N ATOM 2065 NH2 ARG A 633 6.054 -14.097 -6.467 1.00 70.22 N ATOM 0 HA ARG A 633 0.667 -16.917 -6.035 1.00 45.55 H new ATOM 0 HB2 ARG A 633 1.024 -14.612 -7.986 1.00 73.20 H new ATOM 0 HB3 ARG A 633 1.943 -14.901 -6.522 1.00 73.20 H new ATOM 0 HG2 ARG A 633 2.988 -16.857 -7.499 1.00 4.04 H new ATOM 0 HG3 ARG A 633 1.973 -16.739 -8.922 1.00 4.04 H new ATOM 0 HD2 ARG A 633 3.728 -15.566 -9.760 1.00 53.24 H new ATOM 0 HD3 ARG A 633 2.975 -14.230 -8.912 1.00 53.24 H new ATOM 0 HE ARG A 633 5.418 -15.671 -8.176 1.00 25.54 H new ATOM 0 HH11 ARG A 633 2.960 -13.401 -6.992 1.00 32.33 H new ATOM 0 HH12 ARG A 633 4.078 -12.674 -5.834 1.00 32.33 H new ATOM 0 HH21 ARG A 633 6.790 -14.724 -6.790 1.00 70.22 H new ATOM 0 HH22 ARG A 633 6.245 -13.427 -5.722 1.00 70.22 H new ATOM 2079 N PRO A 634 -0.537 -14.713 -5.091 1.00 32.53 N ATOM 2080 CA PRO A 634 -1.361 -13.622 -4.646 1.00 64.32 C ATOM 2081 C PRO A 634 -0.953 -12.335 -5.355 1.00 20.34 C ATOM 2082 O PRO A 634 0.179 -12.211 -5.841 1.00 23.42 O ATOM 2083 CB PRO A 634 -1.099 -13.521 -3.154 1.00 11.12 C ATOM 2084 CG PRO A 634 0.209 -14.218 -2.914 1.00 11.14 C ATOM 2085 CD PRO A 634 0.462 -15.127 -4.084 1.00 21.03 C ATOM 0 HA PRO A 634 -2.417 -13.780 -4.863 1.00 64.32 H new ATOM 0 HB2 PRO A 634 -1.050 -12.479 -2.836 1.00 11.12 H new ATOM 0 HB3 PRO A 634 -1.901 -13.990 -2.585 1.00 11.12 H new ATOM 0 HG2 PRO A 634 1.016 -13.493 -2.811 1.00 11.14 H new ATOM 0 HG3 PRO A 634 0.174 -14.789 -1.986 1.00 11.14 H new ATOM 0 HD2 PRO A 634 1.478 -15.015 -4.462 1.00 21.03 H new ATOM 0 HD3 PRO A 634 0.338 -16.174 -3.808 1.00 21.03 H new ATOM 2093 N ILE A 635 -1.868 -11.408 -5.442 1.00 5.42 N ATOM 2094 CA ILE A 635 -1.621 -10.132 -6.076 1.00 45.14 C ATOM 2095 C ILE A 635 -2.230 -9.057 -5.204 1.00 33.24 C ATOM 2096 O ILE A 635 -2.701 -9.353 -4.101 1.00 11.34 O ATOM 2097 CB ILE A 635 -2.182 -10.011 -7.558 1.00 0.20 C ATOM 2098 CG1 ILE A 635 -3.723 -9.979 -7.650 1.00 24.52 C ATOM 2099 CG2 ILE A 635 -1.606 -11.071 -8.484 1.00 4.35 C ATOM 2100 CD1 ILE A 635 -4.403 -11.180 -7.131 1.00 53.00 C ATOM 0 H ILE A 635 -2.813 -11.513 -5.074 1.00 5.42 H new ATOM 0 HA ILE A 635 -0.541 -10.021 -6.172 1.00 45.14 H new ATOM 0 HB ILE A 635 -1.837 -9.035 -7.900 1.00 0.20 H new ATOM 0 HG12 ILE A 635 -4.087 -9.109 -7.103 1.00 24.52 H new ATOM 0 HG13 ILE A 635 -4.007 -9.841 -8.693 1.00 24.52 H new ATOM 0 HG21 ILE A 635 -2.021 -10.945 -9.484 1.00 4.35 H new ATOM 0 HG22 ILE A 635 -0.522 -10.968 -8.525 1.00 4.35 H new ATOM 0 HG23 ILE A 635 -1.862 -12.061 -8.107 1.00 4.35 H new ATOM 0 HD11 ILE A 635 -5.481 -11.063 -7.239 1.00 53.00 H new ATOM 0 HD12 ILE A 635 -4.075 -12.055 -7.692 1.00 53.00 H new ATOM 0 HD13 ILE A 635 -4.156 -11.311 -6.077 1.00 53.00 H new ATOM 2112 N LEU A 636 -2.223 -7.848 -5.674 1.00 25.21 N ATOM 2113 CA LEU A 636 -2.753 -6.741 -4.926 1.00 65.32 C ATOM 2114 C LEU A 636 -4.255 -6.567 -5.164 1.00 41.43 C ATOM 2115 O LEU A 636 -4.868 -7.342 -5.893 1.00 4.15 O ATOM 2116 CB LEU A 636 -1.929 -5.422 -5.140 1.00 33.51 C ATOM 2117 CG LEU A 636 -1.855 -4.738 -6.557 1.00 40.14 C ATOM 2118 CD1 LEU A 636 -1.473 -5.692 -7.654 1.00 55.12 C ATOM 2119 CD2 LEU A 636 -3.125 -3.989 -6.916 1.00 41.02 C ATOM 0 H LEU A 636 -1.849 -7.596 -6.589 1.00 25.21 H new ATOM 0 HA LEU A 636 -2.639 -6.980 -3.869 1.00 65.32 H new ATOM 0 HB2 LEU A 636 -2.326 -4.680 -4.447 1.00 33.51 H new ATOM 0 HB3 LEU A 636 -0.905 -5.631 -4.831 1.00 33.51 H new ATOM 0 HG LEU A 636 -1.053 -4.005 -6.472 1.00 40.14 H new ATOM 0 HD11 LEU A 636 -1.440 -5.159 -8.604 1.00 55.12 H new ATOM 0 HD12 LEU A 636 -0.492 -6.117 -7.441 1.00 55.12 H new ATOM 0 HD13 LEU A 636 -2.210 -6.493 -7.713 1.00 55.12 H new ATOM 0 HD21 LEU A 636 -3.015 -3.539 -7.903 1.00 41.02 H new ATOM 0 HD22 LEU A 636 -3.966 -4.682 -6.925 1.00 41.02 H new ATOM 0 HD23 LEU A 636 -3.307 -3.207 -6.179 1.00 41.02 H new ATOM 2131 N GLY A 637 -4.831 -5.576 -4.526 1.00 23.32 N ATOM 2132 CA GLY A 637 -6.248 -5.346 -4.613 1.00 14.54 C ATOM 2133 C GLY A 637 -6.636 -4.253 -5.589 1.00 23.04 C ATOM 2134 O GLY A 637 -6.280 -4.304 -6.759 1.00 12.34 O ATOM 0 H GLY A 637 -4.331 -4.911 -3.936 1.00 23.32 H new ATOM 0 HA2 GLY A 637 -6.739 -6.273 -4.908 1.00 14.54 H new ATOM 0 HA3 GLY A 637 -6.625 -5.086 -3.624 1.00 14.54 H new ATOM 2138 N GLU A 638 -7.376 -3.282 -5.108 1.00 23.30 N ATOM 2139 CA GLU A 638 -7.865 -2.199 -5.934 1.00 64.11 C ATOM 2140 C GLU A 638 -6.842 -1.076 -6.087 1.00 75.42 C ATOM 2141 O GLU A 638 -6.240 -0.912 -7.157 1.00 41.31 O ATOM 2142 CB GLU A 638 -9.185 -1.662 -5.370 1.00 72.45 C ATOM 2143 CG GLU A 638 -9.776 -0.496 -6.137 1.00 53.34 C ATOM 2144 CD GLU A 638 -11.101 -0.064 -5.584 1.00 24.51 C ATOM 2145 OE1 GLU A 638 -11.136 0.705 -4.598 1.00 73.24 O ATOM 2146 OE2 GLU A 638 -12.131 -0.474 -6.135 1.00 3.31 O ATOM 0 H GLU A 638 -7.658 -3.219 -4.130 1.00 23.30 H new ATOM 0 HA GLU A 638 -8.040 -2.601 -6.932 1.00 64.11 H new ATOM 0 HB2 GLU A 638 -9.913 -2.473 -5.352 1.00 72.45 H new ATOM 0 HB3 GLU A 638 -9.024 -1.355 -4.337 1.00 72.45 H new ATOM 0 HG2 GLU A 638 -9.082 0.344 -6.109 1.00 53.34 H new ATOM 0 HG3 GLU A 638 -9.895 -0.776 -7.184 1.00 53.34 H new ATOM 2153 N HIS A 639 -6.618 -0.330 -5.035 1.00 40.12 N ATOM 2154 CA HIS A 639 -5.761 0.822 -5.120 1.00 13.05 C ATOM 2155 C HIS A 639 -4.548 0.702 -4.237 1.00 53.14 C ATOM 2156 O HIS A 639 -4.620 0.734 -2.995 1.00 44.22 O ATOM 2157 CB HIS A 639 -6.524 2.162 -4.913 1.00 64.33 C ATOM 2158 CG HIS A 639 -7.287 2.303 -3.618 1.00 35.52 C ATOM 2159 ND1 HIS A 639 -6.886 3.099 -2.569 1.00 23.14 N ATOM 2160 CD2 HIS A 639 -8.470 1.768 -3.244 1.00 30.45 C ATOM 2161 CE1 HIS A 639 -7.816 3.024 -1.618 1.00 10.32 C ATOM 2162 NE2 HIS A 639 -8.803 2.226 -1.977 1.00 44.25 N ATOM 0 H HIS A 639 -7.017 -0.500 -4.112 1.00 40.12 H new ATOM 0 HA HIS A 639 -5.392 0.848 -6.145 1.00 13.05 H new ATOM 0 HB2 HIS A 639 -5.805 2.979 -4.977 1.00 64.33 H new ATOM 0 HB3 HIS A 639 -7.224 2.288 -5.739 1.00 64.33 H new ATOM 0 HD2 HIS A 639 -9.064 1.090 -3.838 1.00 30.45 H new ATOM 0 HE1 HIS A 639 -7.768 3.549 -0.675 1.00 10.32 H new ATOM 0 HE2 HIS A 639 -9.636 1.994 -1.437 1.00 44.25 H new ATOM 2170 N THR A 640 -3.451 0.506 -4.872 1.00 65.20 N ATOM 2171 CA THR A 640 -2.205 0.424 -4.230 1.00 4.21 C ATOM 2172 C THR A 640 -1.393 1.664 -4.525 1.00 23.31 C ATOM 2173 O THR A 640 -0.730 1.769 -5.567 1.00 25.52 O ATOM 2174 CB THR A 640 -1.489 -0.828 -4.696 1.00 22.34 C ATOM 2175 OG1 THR A 640 -1.707 -0.973 -6.118 1.00 24.55 O ATOM 2176 CG2 THR A 640 -2.048 -2.024 -3.978 1.00 13.31 C ATOM 0 H THR A 640 -3.401 0.396 -5.885 1.00 65.20 H new ATOM 0 HA THR A 640 -2.343 0.365 -3.150 1.00 4.21 H new ATOM 0 HB THR A 640 -0.423 -0.753 -4.484 1.00 22.34 H new ATOM 0 HG1 THR A 640 -1.469 -0.138 -6.572 1.00 24.55 H new ATOM 0 HG21 THR A 640 -1.532 -2.924 -4.314 1.00 13.31 H new ATOM 0 HG22 THR A 640 -1.905 -1.903 -2.904 1.00 13.31 H new ATOM 0 HG23 THR A 640 -3.113 -2.114 -4.195 1.00 13.31 H new ATOM 2184 N LYS A 641 -1.527 2.620 -3.653 1.00 0.44 N ATOM 2185 CA LYS A 641 -0.848 3.880 -3.721 1.00 31.32 C ATOM 2186 C LYS A 641 -1.282 4.612 -2.503 1.00 21.15 C ATOM 2187 O LYS A 641 -2.473 4.653 -2.205 1.00 62.53 O ATOM 2188 CB LYS A 641 -1.266 4.671 -4.998 1.00 24.33 C ATOM 2189 CG LYS A 641 -0.400 5.900 -5.370 1.00 60.01 C ATOM 2190 CD LYS A 641 -0.570 7.084 -4.434 1.00 54.32 C ATOM 2191 CE LYS A 641 0.330 8.246 -4.843 1.00 14.44 C ATOM 2192 NZ LYS A 641 0.024 8.761 -6.191 1.00 75.03 N ATOM 0 H LYS A 641 -2.139 2.539 -2.841 1.00 0.44 H new ATOM 0 HA LYS A 641 0.233 3.754 -3.771 1.00 31.32 H new ATOM 0 HB2 LYS A 641 -1.259 3.982 -5.842 1.00 24.33 H new ATOM 0 HB3 LYS A 641 -2.295 5.006 -4.869 1.00 24.33 H new ATOM 0 HG2 LYS A 641 0.649 5.603 -5.377 1.00 60.01 H new ATOM 0 HG3 LYS A 641 -0.649 6.213 -6.384 1.00 60.01 H new ATOM 0 HD2 LYS A 641 -1.611 7.408 -4.439 1.00 54.32 H new ATOM 0 HD3 LYS A 641 -0.335 6.781 -3.414 1.00 54.32 H new ATOM 0 HE2 LYS A 641 0.225 9.053 -4.118 1.00 14.44 H new ATOM 0 HE3 LYS A 641 1.370 7.922 -4.811 1.00 14.44 H new ATOM 0 HZ1 LYS A 641 0.517 9.665 -6.337 1.00 75.03 H new ATOM 0 HZ2 LYS A 641 0.341 8.075 -6.905 1.00 75.03 H new ATOM 0 HZ3 LYS A 641 -1.002 8.907 -6.282 1.00 75.03 H new ATOM 2206 N LEU A 642 -0.360 5.116 -1.782 1.00 45.31 N ATOM 2207 CA LEU A 642 -0.665 5.879 -0.638 1.00 0.42 C ATOM 2208 C LEU A 642 0.142 7.131 -0.670 1.00 40.25 C ATOM 2209 O LEU A 642 1.364 7.089 -0.633 1.00 62.33 O ATOM 2210 CB LEU A 642 -0.360 5.115 0.618 1.00 55.01 C ATOM 2211 CG LEU A 642 -0.606 5.874 1.902 1.00 41.43 C ATOM 2212 CD1 LEU A 642 -2.093 6.086 2.153 1.00 71.55 C ATOM 2213 CD2 LEU A 642 0.063 5.193 3.055 1.00 32.23 C ATOM 0 H LEU A 642 0.637 5.011 -1.970 1.00 45.31 H new ATOM 0 HA LEU A 642 -1.730 6.112 -0.641 1.00 0.42 H new ATOM 0 HB2 LEU A 642 -0.963 4.207 0.629 1.00 55.01 H new ATOM 0 HB3 LEU A 642 0.684 4.804 0.592 1.00 55.01 H new ATOM 0 HG LEU A 642 -0.162 6.864 1.798 1.00 41.43 H new ATOM 0 HD11 LEU A 642 -2.230 6.635 3.085 1.00 71.55 H new ATOM 0 HD12 LEU A 642 -2.523 6.656 1.329 1.00 71.55 H new ATOM 0 HD13 LEU A 642 -2.591 5.119 2.225 1.00 71.55 H new ATOM 0 HD21 LEU A 642 -0.126 5.755 3.969 1.00 32.23 H new ATOM 0 HD22 LEU A 642 -0.334 4.183 3.161 1.00 32.23 H new ATOM 0 HD23 LEU A 642 1.137 5.144 2.875 1.00 32.23 H new ATOM 2225 N GLU A 643 -0.519 8.212 -0.794 1.00 0.41 N ATOM 2226 CA GLU A 643 0.107 9.476 -0.804 1.00 3.04 C ATOM 2227 C GLU A 643 -0.035 10.051 0.582 1.00 61.54 C ATOM 2228 O GLU A 643 -1.135 10.413 1.009 1.00 50.41 O ATOM 2229 CB GLU A 643 -0.576 10.348 -1.830 1.00 53.23 C ATOM 2230 CG GLU A 643 0.213 11.550 -2.266 1.00 63.13 C ATOM 2231 CD GLU A 643 -0.416 12.200 -3.456 1.00 35.41 C ATOM 2232 OE1 GLU A 643 -0.318 11.631 -4.571 1.00 20.22 O ATOM 2233 OE2 GLU A 643 -1.021 13.273 -3.323 1.00 32.31 O ATOM 0 H GLU A 643 -1.533 8.247 -0.894 1.00 0.41 H new ATOM 0 HA GLU A 643 1.163 9.409 -1.067 1.00 3.04 H new ATOM 0 HB2 GLU A 643 -0.802 9.742 -2.708 1.00 53.23 H new ATOM 0 HB3 GLU A 643 -1.529 10.686 -1.422 1.00 53.23 H new ATOM 0 HG2 GLU A 643 0.275 12.266 -1.446 1.00 63.13 H new ATOM 0 HG3 GLU A 643 1.233 11.252 -2.507 1.00 63.13 H new ATOM 2240 N VAL A 644 1.028 10.034 1.319 1.00 23.13 N ATOM 2241 CA VAL A 644 0.998 10.537 2.653 1.00 53.41 C ATOM 2242 C VAL A 644 1.407 11.965 2.629 1.00 23.43 C ATOM 2243 O VAL A 644 2.572 12.256 2.412 1.00 74.03 O ATOM 2244 CB VAL A 644 1.983 9.785 3.560 1.00 75.40 C ATOM 2245 CG1 VAL A 644 1.835 10.235 5.008 1.00 64.45 C ATOM 2246 CG2 VAL A 644 1.811 8.290 3.420 1.00 43.15 C ATOM 0 H VAL A 644 1.933 9.675 1.017 1.00 23.13 H new ATOM 0 HA VAL A 644 -0.012 10.409 3.042 1.00 53.41 H new ATOM 0 HB VAL A 644 2.997 10.028 3.242 1.00 75.40 H new ATOM 0 HG11 VAL A 644 2.542 9.689 5.633 1.00 64.45 H new ATOM 0 HG12 VAL A 644 2.037 11.304 5.079 1.00 64.45 H new ATOM 0 HG13 VAL A 644 0.819 10.034 5.349 1.00 64.45 H new ATOM 0 HG21 VAL A 644 2.520 7.780 4.072 1.00 43.15 H new ATOM 0 HG22 VAL A 644 0.795 8.013 3.701 1.00 43.15 H new ATOM 0 HG23 VAL A 644 1.994 7.998 2.386 1.00 43.15 H new ATOM 2256 N ILE A 645 0.480 12.850 2.779 1.00 13.04 N ATOM 2257 CA ILE A 645 0.816 14.228 2.867 1.00 45.44 C ATOM 2258 C ILE A 645 1.064 14.539 4.311 1.00 71.24 C ATOM 2259 O ILE A 645 0.171 14.403 5.158 1.00 60.12 O ATOM 2260 CB ILE A 645 -0.249 15.206 2.262 1.00 34.14 C ATOM 2261 CG1 ILE A 645 -0.408 15.002 0.731 1.00 64.41 C ATOM 2262 CG2 ILE A 645 0.100 16.671 2.575 1.00 15.14 C ATOM 2263 CD1 ILE A 645 -1.248 13.802 0.322 1.00 3.40 C ATOM 0 H ILE A 645 -0.517 12.642 2.843 1.00 13.04 H new ATOM 0 HA ILE A 645 1.704 14.391 2.256 1.00 45.44 H new ATOM 0 HB ILE A 645 -1.204 14.972 2.733 1.00 34.14 H new ATOM 0 HG12 ILE A 645 -0.855 15.900 0.305 1.00 64.41 H new ATOM 0 HG13 ILE A 645 0.583 14.899 0.289 1.00 64.41 H new ATOM 0 HG21 ILE A 645 -0.657 17.326 2.143 1.00 15.14 H new ATOM 0 HG22 ILE A 645 0.130 16.815 3.655 1.00 15.14 H new ATOM 0 HG23 ILE A 645 1.074 16.912 2.150 1.00 15.14 H new ATOM 0 HD11 ILE A 645 -1.298 13.747 -0.765 1.00 3.40 H new ATOM 0 HD12 ILE A 645 -0.794 12.891 0.711 1.00 3.40 H new ATOM 0 HD13 ILE A 645 -2.254 13.907 0.727 1.00 3.40 H new ATOM 2275 N ILE A 646 2.272 14.883 4.605 1.00 64.43 N ATOM 2276 CA ILE A 646 2.639 15.178 5.934 1.00 24.03 C ATOM 2277 C ILE A 646 2.531 16.653 6.054 1.00 43.24 C ATOM 2278 O ILE A 646 3.360 17.404 5.496 1.00 52.45 O ATOM 2279 CB ILE A 646 4.107 14.735 6.296 1.00 1.12 C ATOM 2280 CG1 ILE A 646 4.406 13.291 5.893 1.00 54.25 C ATOM 2281 CG2 ILE A 646 4.374 14.890 7.773 1.00 3.43 C ATOM 2282 CD1 ILE A 646 4.655 13.098 4.426 1.00 45.23 C ATOM 0 H ILE A 646 3.028 14.966 3.925 1.00 64.43 H new ATOM 0 HA ILE A 646 1.990 14.632 6.619 1.00 24.03 H new ATOM 0 HB ILE A 646 4.763 15.393 5.726 1.00 1.12 H new ATOM 0 HG12 ILE A 646 5.279 12.945 6.446 1.00 54.25 H new ATOM 0 HG13 ILE A 646 3.568 12.661 6.193 1.00 54.25 H new ATOM 0 HG21 ILE A 646 5.395 14.577 7.993 1.00 3.43 H new ATOM 0 HG22 ILE A 646 4.245 15.934 8.058 1.00 3.43 H new ATOM 0 HG23 ILE A 646 3.675 14.271 8.336 1.00 3.43 H new ATOM 0 HD11 ILE A 646 4.859 12.046 4.227 1.00 45.23 H new ATOM 0 HD12 ILE A 646 3.775 13.410 3.863 1.00 45.23 H new ATOM 0 HD13 ILE A 646 5.512 13.698 4.120 1.00 45.23 H new ATOM 2294 N GLU A 647 1.529 17.073 6.725 1.00 20.05 N ATOM 2295 CA GLU A 647 1.282 18.440 6.888 1.00 11.42 C ATOM 2296 C GLU A 647 1.812 18.881 8.206 1.00 55.44 C ATOM 2297 O GLU A 647 1.629 18.215 9.236 1.00 33.11 O ATOM 2298 CB GLU A 647 -0.198 18.794 6.676 1.00 22.04 C ATOM 2299 CG GLU A 647 -1.184 17.944 7.450 1.00 34.42 C ATOM 2300 CD GLU A 647 -2.599 18.395 7.233 1.00 34.42 C ATOM 2301 OE1 GLU A 647 -3.207 18.031 6.198 1.00 64.33 O ATOM 2302 OE2 GLU A 647 -3.132 19.160 8.075 1.00 54.44 O ATOM 0 H GLU A 647 0.851 16.463 7.181 1.00 20.05 H new ATOM 0 HA GLU A 647 1.811 18.993 6.112 1.00 11.42 H new ATOM 0 HB2 GLU A 647 -0.348 19.838 6.952 1.00 22.04 H new ATOM 0 HB3 GLU A 647 -0.426 18.709 5.614 1.00 22.04 H new ATOM 0 HG2 GLU A 647 -1.084 16.902 7.145 1.00 34.42 H new ATOM 0 HG3 GLU A 647 -0.947 17.989 8.513 1.00 34.42 H new ATOM 2309 N GLU A 648 2.522 19.952 8.170 1.00 74.14 N ATOM 2310 CA GLU A 648 3.147 20.481 9.316 1.00 52.54 C ATOM 2311 C GLU A 648 2.062 20.967 10.255 1.00 40.12 C ATOM 2312 O GLU A 648 1.002 21.436 9.787 1.00 3.55 O ATOM 2313 CB GLU A 648 4.110 21.557 8.872 1.00 30.33 C ATOM 2314 CG GLU A 648 5.145 21.951 9.880 1.00 51.11 C ATOM 2315 CD GLU A 648 6.306 22.577 9.188 1.00 30.32 C ATOM 2316 OE1 GLU A 648 7.222 21.810 8.738 1.00 50.11 O ATOM 2317 OE2 GLU A 648 6.325 23.808 9.018 1.00 0.42 O ATOM 0 H GLU A 648 2.685 20.493 7.321 1.00 74.14 H new ATOM 0 HA GLU A 648 3.733 19.743 9.863 1.00 52.54 H new ATOM 0 HB2 GLU A 648 4.618 21.216 7.970 1.00 30.33 H new ATOM 0 HB3 GLU A 648 3.537 22.443 8.600 1.00 30.33 H new ATOM 0 HG2 GLU A 648 4.718 22.650 10.600 1.00 51.11 H new ATOM 0 HG3 GLU A 648 5.472 21.076 10.441 1.00 51.11 H new ATOM 2324 N SER A 649 2.303 20.807 11.543 1.00 53.43 N ATOM 2325 CA SER A 649 1.309 21.018 12.569 1.00 73.11 C ATOM 2326 C SER A 649 0.575 22.345 12.434 1.00 71.51 C ATOM 2327 O SER A 649 1.172 23.426 12.427 1.00 31.13 O ATOM 2328 CB SER A 649 1.928 20.858 13.954 1.00 50.50 C ATOM 2329 OG SER A 649 0.944 20.916 14.975 1.00 44.41 O ATOM 0 H SER A 649 3.212 20.522 11.908 1.00 53.43 H new ATOM 0 HA SER A 649 0.550 20.248 12.434 1.00 73.11 H new ATOM 0 HB2 SER A 649 2.456 19.906 14.010 1.00 50.50 H new ATOM 0 HB3 SER A 649 2.668 21.642 14.116 1.00 50.50 H new ATOM 0 HG SER A 649 1.373 20.809 15.849 1.00 44.41 H new