USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 506 THR OG1 : rot 29:sc= 0.148 USER MOD Single : A 512 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 513 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.2!) USER MOD Single : A 515 SER OG : rot 180:sc= 0.00173 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl 176:sc= -3.89! (180deg=-3.96!) USER MOD Single : A 524 LYS NZ :NH3+ 171:sc= -0.0119 (180deg=-0.101) USER MOD Single : A 528 THR OG1 : rot -161:sc= -2.97! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= 0.618 K(o=0.62,f=-1.1) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ 165:sc= -0.0708 (180deg=-0.297) USER MOD Single : A 541 THR OG1 : rot 80:sc= 0.544 USER MOD Single : A 545 THR OG1 : rot -35:sc= 0.477 USER MOD Single : A 556 THR OG1 : rot 64:sc= 0.306 USER MOD Single : A 557 CYS SG : rot -72:sc= 1.29 USER MOD Single : A 563 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.032) USER MOD Single : A 564 ASN : amide:sc= -0.0183 K(o=-0.018,f=-2.5!) USER MOD Single : A 569 LYS NZ :NH3+ 132:sc= 1.56 (180deg=0.354) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 SER OG : rot 180:sc= 0.0731 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 TYR OH : rot 180:sc= 0 USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 584 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.9!) USER MOD Single : A 585 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.07) USER MOD Single : A 586 THR OG1 : rot 36:sc= 1.17 USER MOD Single : A 639 HIS : no HD1:sc= -0.237 K(o=-0.24,f=-0.77) USER MOD Single : A 640 THR OG1 : rot 47:sc= 0.103 USER MOD Single : A 641 LYS NZ :NH3+ -158:sc= -0.147 (180deg=-0.604) USER MOD Single : A 649 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -5.653 -12.598 -4.210 1.00 51.02 N ATOM 29 CA GLY A 503 -6.741 -11.878 -3.718 1.00 11.24 C ATOM 30 C GLY A 503 -6.610 -10.411 -3.898 1.00 52.30 C ATOM 31 O GLY A 503 -6.184 -9.929 -4.937 1.00 30.03 O ATOM 0 HA2 GLY A 503 -7.648 -12.218 -4.218 1.00 11.24 H new ATOM 0 HA3 GLY A 503 -6.861 -12.097 -2.657 1.00 11.24 H new ATOM 35 N ILE A 504 -6.956 -9.720 -2.865 1.00 71.21 N ATOM 36 CA ILE A 504 -6.925 -8.301 -2.811 1.00 31.12 C ATOM 37 C ILE A 504 -5.964 -7.886 -1.702 1.00 15.33 C ATOM 38 O ILE A 504 -6.045 -8.388 -0.598 1.00 61.24 O ATOM 39 CB ILE A 504 -8.359 -7.702 -2.509 1.00 12.55 C ATOM 40 CG1 ILE A 504 -9.360 -7.883 -3.681 1.00 51.11 C ATOM 41 CG2 ILE A 504 -8.301 -6.241 -2.092 1.00 5.41 C ATOM 42 CD1 ILE A 504 -9.909 -9.286 -3.857 1.00 72.02 C ATOM 0 H ILE A 504 -7.282 -10.149 -1.999 1.00 71.21 H new ATOM 0 HA ILE A 504 -6.598 -7.918 -3.778 1.00 31.12 H new ATOM 0 HB ILE A 504 -8.733 -8.285 -1.668 1.00 12.55 H new ATOM 0 HG12 ILE A 504 -10.196 -7.200 -3.531 1.00 51.11 H new ATOM 0 HG13 ILE A 504 -8.867 -7.585 -4.607 1.00 51.11 H new ATOM 0 HG21 ILE A 504 -9.310 -5.878 -1.896 1.00 5.41 H new ATOM 0 HG22 ILE A 504 -7.699 -6.144 -1.188 1.00 5.41 H new ATOM 0 HG23 ILE A 504 -7.852 -5.652 -2.892 1.00 5.41 H new ATOM 0 HD11 ILE A 504 -10.598 -9.304 -4.702 1.00 72.02 H new ATOM 0 HD12 ILE A 504 -9.087 -9.977 -4.044 1.00 72.02 H new ATOM 0 HD13 ILE A 504 -10.437 -9.586 -2.952 1.00 72.02 H new ATOM 54 N PHE A 505 -5.026 -7.051 -2.029 1.00 34.34 N ATOM 55 CA PHE A 505 -4.139 -6.447 -1.054 1.00 53.03 C ATOM 56 C PHE A 505 -4.052 -4.983 -1.393 1.00 10.00 C ATOM 57 O PHE A 505 -3.423 -4.603 -2.386 1.00 24.25 O ATOM 58 CB PHE A 505 -2.737 -7.100 -1.045 1.00 15.11 C ATOM 59 CG PHE A 505 -2.716 -8.532 -0.564 1.00 24.31 C ATOM 60 CD1 PHE A 505 -2.719 -8.819 0.792 1.00 1.44 C ATOM 61 CD2 PHE A 505 -2.697 -9.584 -1.463 1.00 45.55 C ATOM 62 CE1 PHE A 505 -2.702 -10.127 1.238 1.00 20.55 C ATOM 63 CE2 PHE A 505 -2.680 -10.892 -1.024 1.00 75.33 C ATOM 64 CZ PHE A 505 -2.682 -11.165 0.327 1.00 45.44 C ATOM 0 H PHE A 505 -4.844 -6.759 -2.989 1.00 34.34 H new ATOM 0 HA PHE A 505 -4.536 -6.598 -0.050 1.00 53.03 H new ATOM 0 HB2 PHE A 505 -2.326 -7.063 -2.054 1.00 15.11 H new ATOM 0 HB3 PHE A 505 -2.078 -6.507 -0.411 1.00 15.11 H new ATOM 0 HD1 PHE A 505 -2.735 -8.011 1.508 1.00 1.44 H new ATOM 0 HD2 PHE A 505 -2.695 -9.378 -2.523 1.00 45.55 H new ATOM 0 HE1 PHE A 505 -2.704 -10.337 2.297 1.00 20.55 H new ATOM 0 HE2 PHE A 505 -2.665 -11.702 -1.739 1.00 75.33 H new ATOM 0 HZ PHE A 505 -2.668 -12.188 0.672 1.00 45.44 H new ATOM 74 N THR A 506 -4.722 -4.172 -0.638 1.00 61.42 N ATOM 75 CA THR A 506 -4.821 -2.785 -0.961 1.00 73.43 C ATOM 76 C THR A 506 -4.798 -1.960 0.315 1.00 21.14 C ATOM 77 O THR A 506 -5.048 -2.492 1.413 1.00 15.20 O ATOM 78 CB THR A 506 -6.161 -2.517 -1.740 1.00 51.53 C ATOM 79 OG1 THR A 506 -6.195 -1.184 -2.277 1.00 70.22 O ATOM 80 CG2 THR A 506 -7.376 -2.723 -0.834 1.00 34.04 C ATOM 0 H THR A 506 -5.212 -4.449 0.213 1.00 61.42 H new ATOM 0 HA THR A 506 -3.977 -2.501 -1.589 1.00 73.43 H new ATOM 0 HB THR A 506 -6.200 -3.233 -2.561 1.00 51.53 H new ATOM 0 HG1 THR A 506 -5.281 -0.885 -2.467 1.00 70.22 H new ATOM 0 HG21 THR A 506 -8.288 -2.531 -1.399 1.00 34.04 H new ATOM 0 HG22 THR A 506 -7.386 -3.749 -0.467 1.00 34.04 H new ATOM 0 HG23 THR A 506 -7.321 -2.036 0.010 1.00 34.04 H new ATOM 88 N PHE A 507 -4.485 -0.695 0.181 1.00 20.42 N ATOM 89 CA PHE A 507 -4.568 0.221 1.288 1.00 72.03 C ATOM 90 C PHE A 507 -6.000 0.642 1.407 1.00 74.25 C ATOM 91 O PHE A 507 -6.744 0.576 0.422 1.00 70.23 O ATOM 92 CB PHE A 507 -3.718 1.470 1.051 1.00 14.40 C ATOM 93 CG PHE A 507 -2.243 1.245 0.949 1.00 42.51 C ATOM 94 CD1 PHE A 507 -1.460 1.233 2.082 1.00 30.32 C ATOM 95 CD2 PHE A 507 -1.636 1.093 -0.281 1.00 65.25 C ATOM 96 CE1 PHE A 507 -0.099 1.071 1.994 1.00 52.03 C ATOM 97 CE2 PHE A 507 -0.273 0.922 -0.378 1.00 11.53 C ATOM 98 CZ PHE A 507 0.497 0.914 0.761 1.00 4.24 C ATOM 0 H PHE A 507 -4.168 -0.275 -0.693 1.00 20.42 H new ATOM 0 HA PHE A 507 -4.202 -0.271 2.189 1.00 72.03 H new ATOM 0 HB2 PHE A 507 -4.058 1.948 0.132 1.00 14.40 H new ATOM 0 HB3 PHE A 507 -3.904 2.172 1.864 1.00 14.40 H new ATOM 0 HD1 PHE A 507 -1.922 1.352 3.051 1.00 30.32 H new ATOM 0 HD2 PHE A 507 -2.237 1.108 -1.178 1.00 65.25 H new ATOM 0 HE1 PHE A 507 0.504 1.067 2.890 1.00 52.03 H new ATOM 0 HE2 PHE A 507 0.190 0.795 -1.346 1.00 11.53 H new ATOM 0 HZ PHE A 507 1.567 0.785 0.690 1.00 4.24 H new ATOM 108 N GLU A 508 -6.407 1.005 2.588 1.00 61.31 N ATOM 109 CA GLU A 508 -7.741 1.504 2.791 1.00 3.21 C ATOM 110 C GLU A 508 -7.837 2.898 2.156 1.00 30.43 C ATOM 111 O GLU A 508 -8.719 3.179 1.344 1.00 23.11 O ATOM 112 CB GLU A 508 -8.026 1.564 4.298 1.00 21.41 C ATOM 113 CG GLU A 508 -9.487 1.375 4.684 1.00 33.33 C ATOM 114 CD GLU A 508 -10.416 2.367 4.048 1.00 1.41 C ATOM 115 OE1 GLU A 508 -10.427 3.543 4.464 1.00 3.32 O ATOM 116 OE2 GLU A 508 -11.167 1.989 3.123 1.00 54.32 O ATOM 0 H GLU A 508 -5.834 0.966 3.431 1.00 61.31 H new ATOM 0 HA GLU A 508 -8.480 0.851 2.326 1.00 3.21 H new ATOM 0 HB2 GLU A 508 -7.432 0.797 4.796 1.00 21.41 H new ATOM 0 HB3 GLU A 508 -7.687 2.527 4.679 1.00 21.41 H new ATOM 0 HG2 GLU A 508 -9.799 0.369 4.405 1.00 33.33 H new ATOM 0 HG3 GLU A 508 -9.579 1.448 5.768 1.00 33.33 H new ATOM 123 N GLU A 509 -6.894 3.735 2.485 1.00 74.40 N ATOM 124 CA GLU A 509 -6.875 5.083 1.996 1.00 53.33 C ATOM 125 C GLU A 509 -5.637 5.283 1.121 1.00 60.05 C ATOM 126 O GLU A 509 -4.549 4.847 1.483 1.00 61.34 O ATOM 127 CB GLU A 509 -6.922 6.064 3.186 1.00 52.44 C ATOM 128 CG GLU A 509 -5.752 5.944 4.155 1.00 33.11 C ATOM 129 CD GLU A 509 -6.035 6.578 5.495 1.00 23.13 C ATOM 130 OE1 GLU A 509 -6.555 5.883 6.394 1.00 43.21 O ATOM 131 OE2 GLU A 509 -5.752 7.768 5.690 1.00 73.11 O ATOM 0 H GLU A 509 -6.116 3.501 3.101 1.00 74.40 H new ATOM 0 HA GLU A 509 -7.751 5.281 1.378 1.00 53.33 H new ATOM 0 HB2 GLU A 509 -6.953 7.083 2.799 1.00 52.44 H new ATOM 0 HB3 GLU A 509 -7.850 5.904 3.736 1.00 52.44 H new ATOM 0 HG2 GLU A 509 -5.513 4.890 4.300 1.00 33.11 H new ATOM 0 HG3 GLU A 509 -4.872 6.413 3.715 1.00 33.11 H new ATOM 138 N PRO A 510 -5.797 5.864 -0.074 1.00 63.43 N ATOM 139 CA PRO A 510 -4.681 6.127 -0.971 1.00 14.43 C ATOM 140 C PRO A 510 -3.967 7.434 -0.633 1.00 41.23 C ATOM 141 O PRO A 510 -2.887 7.701 -1.130 1.00 43.04 O ATOM 142 CB PRO A 510 -5.351 6.223 -2.336 1.00 21.21 C ATOM 143 CG PRO A 510 -6.709 6.766 -2.047 1.00 42.10 C ATOM 144 CD PRO A 510 -7.087 6.262 -0.675 1.00 53.42 C ATOM 0 HA PRO A 510 -3.911 5.358 -0.910 1.00 14.43 H new ATOM 0 HB2 PRO A 510 -4.795 6.879 -3.006 1.00 21.21 H new ATOM 0 HB3 PRO A 510 -5.408 5.248 -2.820 1.00 21.21 H new ATOM 0 HG2 PRO A 510 -6.705 7.856 -2.073 1.00 42.10 H new ATOM 0 HG3 PRO A 510 -7.428 6.432 -2.795 1.00 42.10 H new ATOM 0 HD2 PRO A 510 -7.580 7.036 -0.087 1.00 53.42 H new ATOM 0 HD3 PRO A 510 -7.777 5.420 -0.735 1.00 53.42 H new ATOM 152 N VAL A 511 -4.591 8.240 0.199 1.00 54.43 N ATOM 153 CA VAL A 511 -4.045 9.506 0.643 1.00 34.54 C ATOM 154 C VAL A 511 -4.286 9.619 2.106 1.00 50.44 C ATOM 155 O VAL A 511 -5.394 9.354 2.580 1.00 14.31 O ATOM 156 CB VAL A 511 -4.708 10.737 -0.069 1.00 32.25 C ATOM 157 CG1 VAL A 511 -4.220 12.043 0.523 1.00 42.43 C ATOM 158 CG2 VAL A 511 -4.426 10.727 -1.545 1.00 1.22 C ATOM 0 H VAL A 511 -5.508 8.031 0.593 1.00 54.43 H new ATOM 0 HA VAL A 511 -2.983 9.521 0.396 1.00 34.54 H new ATOM 0 HB VAL A 511 -5.783 10.655 0.090 1.00 32.25 H new ATOM 0 HG11 VAL A 511 -4.698 12.877 0.008 1.00 42.43 H new ATOM 0 HG12 VAL A 511 -4.472 12.079 1.583 1.00 42.43 H new ATOM 0 HG13 VAL A 511 -3.139 12.115 0.404 1.00 42.43 H new ATOM 0 HG21 VAL A 511 -4.898 11.592 -2.011 1.00 1.22 H new ATOM 0 HG22 VAL A 511 -3.349 10.768 -1.710 1.00 1.22 H new ATOM 0 HG23 VAL A 511 -4.826 9.814 -1.986 1.00 1.22 H new ATOM 168 N THR A 512 -3.283 9.982 2.816 1.00 63.12 N ATOM 169 CA THR A 512 -3.412 10.164 4.194 1.00 44.30 C ATOM 170 C THR A 512 -2.629 11.428 4.572 1.00 3.32 C ATOM 171 O THR A 512 -1.594 11.732 3.964 1.00 21.43 O ATOM 172 CB THR A 512 -2.925 8.891 4.974 1.00 55.02 C ATOM 173 OG1 THR A 512 -3.455 8.880 6.293 1.00 1.43 O ATOM 174 CG2 THR A 512 -1.409 8.803 5.039 1.00 55.33 C ATOM 0 H THR A 512 -2.349 10.160 2.446 1.00 63.12 H new ATOM 0 HA THR A 512 -4.457 10.298 4.473 1.00 44.30 H new ATOM 0 HB THR A 512 -3.291 8.025 4.423 1.00 55.02 H new ATOM 0 HG1 THR A 512 -4.423 8.731 6.255 1.00 1.43 H new ATOM 0 HG21 THR A 512 -1.120 7.907 5.588 1.00 55.33 H new ATOM 0 HG22 THR A 512 -1.004 8.756 4.028 1.00 55.33 H new ATOM 0 HG23 THR A 512 -1.015 9.683 5.548 1.00 55.33 H new ATOM 182 N HIS A 513 -3.163 12.202 5.470 1.00 43.21 N ATOM 183 CA HIS A 513 -2.484 13.379 5.956 1.00 63.42 C ATOM 184 C HIS A 513 -2.065 13.107 7.348 1.00 4.32 C ATOM 185 O HIS A 513 -2.819 12.497 8.120 1.00 12.31 O ATOM 186 CB HIS A 513 -3.359 14.640 5.896 1.00 73.11 C ATOM 187 CG HIS A 513 -3.670 15.115 4.515 1.00 70.41 C ATOM 188 ND1 HIS A 513 -3.377 16.381 4.044 1.00 31.31 N ATOM 189 CD2 HIS A 513 -4.282 14.472 3.498 1.00 14.15 C ATOM 190 CE1 HIS A 513 -3.815 16.461 2.789 1.00 12.14 C ATOM 191 NE2 HIS A 513 -4.375 15.320 2.408 1.00 41.45 N ATOM 0 H HIS A 513 -4.079 12.041 5.889 1.00 43.21 H new ATOM 0 HA HIS A 513 -1.626 13.581 5.315 1.00 63.42 H new ATOM 0 HB2 HIS A 513 -4.295 14.442 6.417 1.00 73.11 H new ATOM 0 HB3 HIS A 513 -2.856 15.441 6.437 1.00 73.11 H new ATOM 0 HD1 HIS A 513 -2.909 17.122 4.565 1.00 31.31 H new ATOM 0 HD2 HIS A 513 -4.643 13.455 3.530 1.00 14.15 H new ATOM 0 HE1 HIS A 513 -3.726 17.338 2.165 1.00 12.14 H new ATOM 199 N VAL A 514 -0.888 13.498 7.676 1.00 23.32 N ATOM 200 CA VAL A 514 -0.357 13.212 8.966 1.00 65.53 C ATOM 201 C VAL A 514 0.232 14.430 9.560 1.00 22.44 C ATOM 202 O VAL A 514 0.614 15.385 8.849 1.00 45.12 O ATOM 203 CB VAL A 514 0.704 12.056 8.960 1.00 61.34 C ATOM 204 CG1 VAL A 514 0.097 10.743 8.482 1.00 24.35 C ATOM 205 CG2 VAL A 514 1.916 12.420 8.116 1.00 3.14 C ATOM 0 H VAL A 514 -0.264 14.024 7.064 1.00 23.32 H new ATOM 0 HA VAL A 514 -1.195 12.868 9.572 1.00 65.53 H new ATOM 0 HB VAL A 514 1.035 11.920 9.990 1.00 61.34 H new ATOM 0 HG11 VAL A 514 0.860 9.965 8.491 1.00 24.35 H new ATOM 0 HG12 VAL A 514 -0.720 10.457 9.145 1.00 24.35 H new ATOM 0 HG13 VAL A 514 -0.284 10.866 7.468 1.00 24.35 H new ATOM 0 HG21 VAL A 514 2.631 11.598 8.133 1.00 3.14 H new ATOM 0 HG22 VAL A 514 1.602 12.606 7.089 1.00 3.14 H new ATOM 0 HG23 VAL A 514 2.385 13.317 8.520 1.00 3.14 H new ATOM 215 N SER A 515 0.270 14.411 10.842 1.00 1.11 N ATOM 216 CA SER A 515 0.843 15.422 11.611 1.00 12.05 C ATOM 217 C SER A 515 2.347 15.386 11.384 1.00 74.23 C ATOM 218 O SER A 515 2.911 14.319 11.234 1.00 12.53 O ATOM 219 CB SER A 515 0.528 15.071 13.042 1.00 65.34 C ATOM 220 OG SER A 515 -0.868 14.872 13.208 1.00 61.35 O ATOM 0 H SER A 515 -0.119 13.649 11.397 1.00 1.11 H new ATOM 0 HA SER A 515 0.471 16.415 11.360 1.00 12.05 H new ATOM 0 HB2 SER A 515 1.067 14.168 13.328 1.00 65.34 H new ATOM 0 HB3 SER A 515 0.869 15.869 13.702 1.00 65.34 H new ATOM 0 HG SER A 515 -1.057 14.643 14.142 1.00 61.35 H new ATOM 226 N GLU A 516 2.985 16.523 11.306 1.00 25.33 N ATOM 227 CA GLU A 516 4.426 16.521 11.171 1.00 42.14 C ATOM 228 C GLU A 516 5.068 16.141 12.504 1.00 34.15 C ATOM 229 O GLU A 516 6.157 15.603 12.551 1.00 63.45 O ATOM 230 CB GLU A 516 4.924 17.866 10.692 1.00 40.43 C ATOM 231 CG GLU A 516 6.391 17.884 10.331 1.00 45.43 C ATOM 232 CD GLU A 516 6.796 19.197 9.798 1.00 2.53 C ATOM 233 OE1 GLU A 516 6.326 19.636 8.775 1.00 51.05 O ATOM 234 OE2 GLU A 516 7.614 19.911 10.355 1.00 21.31 O ATOM 0 H GLU A 516 2.548 17.444 11.332 1.00 25.33 H new ATOM 0 HA GLU A 516 4.710 15.781 10.423 1.00 42.14 H new ATOM 0 HB2 GLU A 516 4.342 18.169 9.821 1.00 40.43 H new ATOM 0 HB3 GLU A 516 4.742 18.608 11.470 1.00 40.43 H new ATOM 0 HG2 GLU A 516 6.987 17.647 11.212 1.00 45.43 H new ATOM 0 HG3 GLU A 516 6.595 17.110 9.591 1.00 45.43 H new ATOM 241 N SER A 517 4.350 16.368 13.568 1.00 22.15 N ATOM 242 CA SER A 517 4.824 16.067 14.867 1.00 73.20 C ATOM 243 C SER A 517 4.074 14.847 15.365 1.00 31.23 C ATOM 244 O SER A 517 3.062 14.937 16.073 1.00 42.12 O ATOM 245 CB SER A 517 4.670 17.271 15.811 1.00 4.22 C ATOM 246 OG SER A 517 5.269 17.031 17.076 1.00 4.01 O ATOM 0 H SER A 517 3.413 16.771 13.546 1.00 22.15 H new ATOM 0 HA SER A 517 5.891 15.848 14.839 1.00 73.20 H new ATOM 0 HB2 SER A 517 5.124 18.151 15.355 1.00 4.22 H new ATOM 0 HB3 SER A 517 3.612 17.493 15.947 1.00 4.22 H new ATOM 0 HG SER A 517 5.152 17.818 17.648 1.00 4.01 H new ATOM 252 N ILE A 518 4.471 13.742 14.836 1.00 3.41 N ATOM 253 CA ILE A 518 3.972 12.468 15.192 1.00 15.42 C ATOM 254 C ILE A 518 5.161 11.512 15.190 1.00 44.52 C ATOM 255 O ILE A 518 6.213 11.846 14.620 1.00 20.10 O ATOM 256 CB ILE A 518 2.923 12.034 14.154 1.00 22.12 C ATOM 257 CG1 ILE A 518 2.170 10.799 14.586 1.00 12.32 C ATOM 258 CG2 ILE A 518 3.545 11.835 12.777 1.00 53.33 C ATOM 259 CD1 ILE A 518 1.080 10.475 13.637 1.00 62.14 C ATOM 0 H ILE A 518 5.186 13.705 14.110 1.00 3.41 H new ATOM 0 HA ILE A 518 3.496 12.476 16.173 1.00 15.42 H new ATOM 0 HB ILE A 518 2.201 12.848 14.084 1.00 22.12 H new ATOM 0 HG12 ILE A 518 2.858 9.956 14.655 1.00 12.32 H new ATOM 0 HG13 ILE A 518 1.754 10.953 15.582 1.00 12.32 H new ATOM 0 HG21 ILE A 518 2.774 11.529 12.070 1.00 53.33 H new ATOM 0 HG22 ILE A 518 3.994 12.770 12.442 1.00 53.33 H new ATOM 0 HG23 ILE A 518 4.313 11.064 12.833 1.00 53.33 H new ATOM 0 HD11 ILE A 518 0.557 9.581 13.976 1.00 62.14 H new ATOM 0 HD12 ILE A 518 0.380 11.309 13.589 1.00 62.14 H new ATOM 0 HD13 ILE A 518 1.500 10.296 12.647 1.00 62.14 H new ATOM 271 N GLY A 519 5.039 10.390 15.837 1.00 44.41 N ATOM 272 CA GLY A 519 6.114 9.441 15.817 1.00 72.32 C ATOM 273 C GLY A 519 5.904 8.390 14.765 1.00 72.25 C ATOM 274 O GLY A 519 6.597 8.364 13.741 1.00 15.13 O ATOM 0 H GLY A 519 4.220 10.112 16.377 1.00 44.41 H new ATOM 0 HA2 GLY A 519 7.055 9.960 15.631 1.00 72.32 H new ATOM 0 HA3 GLY A 519 6.199 8.966 16.794 1.00 72.32 H new ATOM 278 N ILE A 520 4.933 7.554 15.001 1.00 3.33 N ATOM 279 CA ILE A 520 4.609 6.455 14.124 1.00 4.53 C ATOM 280 C ILE A 520 3.222 6.657 13.559 1.00 25.40 C ATOM 281 O ILE A 520 2.309 7.069 14.274 1.00 12.35 O ATOM 282 CB ILE A 520 4.669 5.084 14.898 1.00 13.15 C ATOM 283 CG1 ILE A 520 6.099 4.776 15.386 1.00 51.10 C ATOM 284 CG2 ILE A 520 4.134 3.922 14.055 1.00 73.32 C ATOM 285 CD1 ILE A 520 7.119 4.607 14.271 1.00 74.21 C ATOM 0 H ILE A 520 4.331 7.615 15.822 1.00 3.33 H new ATOM 0 HA ILE A 520 5.339 6.427 13.315 1.00 4.53 H new ATOM 0 HB ILE A 520 4.021 5.190 15.768 1.00 13.15 H new ATOM 0 HG12 ILE A 520 6.427 5.581 16.043 1.00 51.10 H new ATOM 0 HG13 ILE A 520 6.078 3.865 15.984 1.00 51.10 H new ATOM 0 HG21 ILE A 520 4.195 2.998 14.629 1.00 73.32 H new ATOM 0 HG22 ILE A 520 3.095 4.115 13.787 1.00 73.32 H new ATOM 0 HG23 ILE A 520 4.731 3.826 13.148 1.00 73.32 H new ATOM 0 HD11 ILE A 520 8.097 4.393 14.702 1.00 74.21 H new ATOM 0 HD12 ILE A 520 6.819 3.782 13.625 1.00 74.21 H new ATOM 0 HD13 ILE A 520 7.173 5.525 13.686 1.00 74.21 H new ATOM 297 N MET A 521 3.089 6.452 12.286 1.00 73.43 N ATOM 298 CA MET A 521 1.794 6.442 11.647 1.00 15.14 C ATOM 299 C MET A 521 1.563 5.049 11.152 1.00 25.31 C ATOM 300 O MET A 521 2.509 4.399 10.672 1.00 12.22 O ATOM 301 CB MET A 521 1.692 7.453 10.480 1.00 54.32 C ATOM 302 CG MET A 521 2.661 7.205 9.333 1.00 1.12 C ATOM 303 SD MET A 521 2.342 8.273 7.925 1.00 14.03 S ATOM 304 CE MET A 521 3.536 7.671 6.749 1.00 62.12 C ATOM 0 H MET A 521 3.871 6.286 11.653 1.00 73.43 H new ATOM 0 HA MET A 521 1.035 6.746 12.368 1.00 15.14 H new ATOM 0 HB2 MET A 521 0.675 7.433 10.088 1.00 54.32 H new ATOM 0 HB3 MET A 521 1.863 8.456 10.871 1.00 54.32 H new ATOM 0 HG2 MET A 521 3.681 7.364 9.682 1.00 1.12 H new ATOM 0 HG3 MET A 521 2.590 6.164 9.019 1.00 1.12 H new ATOM 0 HE1 MET A 521 3.408 8.193 5.801 1.00 62.12 H new ATOM 0 HE2 MET A 521 4.542 7.850 7.128 1.00 62.12 H new ATOM 0 HE3 MET A 521 3.390 6.601 6.597 1.00 62.12 H new ATOM 314 N GLU A 522 0.366 4.564 11.311 1.00 63.33 N ATOM 315 CA GLU A 522 0.043 3.247 10.871 1.00 54.45 C ATOM 316 C GLU A 522 -1.011 3.337 9.802 1.00 23.25 C ATOM 317 O GLU A 522 -1.995 4.066 9.951 1.00 50.34 O ATOM 318 CB GLU A 522 -0.483 2.363 11.995 1.00 52.22 C ATOM 319 CG GLU A 522 0.317 2.351 13.282 1.00 1.35 C ATOM 320 CD GLU A 522 -0.107 3.455 14.199 1.00 61.32 C ATOM 321 OE1 GLU A 522 -1.301 3.498 14.569 1.00 35.13 O ATOM 322 OE2 GLU A 522 0.723 4.272 14.595 1.00 64.50 O ATOM 0 H GLU A 522 -0.406 5.069 11.747 1.00 63.33 H new ATOM 0 HA GLU A 522 0.961 2.795 10.495 1.00 54.45 H new ATOM 0 HB2 GLU A 522 -1.500 2.679 12.229 1.00 52.22 H new ATOM 0 HB3 GLU A 522 -0.545 1.340 11.623 1.00 52.22 H new ATOM 0 HG2 GLU A 522 0.189 1.391 13.782 1.00 1.35 H new ATOM 0 HG3 GLU A 522 1.378 2.453 13.054 1.00 1.35 H new ATOM 329 N VAL A 523 -0.805 2.638 8.733 1.00 3.44 N ATOM 330 CA VAL A 523 -1.747 2.638 7.638 1.00 52.33 C ATOM 331 C VAL A 523 -2.342 1.253 7.489 1.00 20.31 C ATOM 332 O VAL A 523 -1.609 0.266 7.512 1.00 51.23 O ATOM 333 CB VAL A 523 -1.058 3.056 6.334 1.00 12.32 C ATOM 334 CG1 VAL A 523 -2.076 3.223 5.208 1.00 62.22 C ATOM 335 CG2 VAL A 523 -0.265 4.334 6.558 1.00 20.30 C ATOM 0 H VAL A 523 0.015 2.050 8.585 1.00 3.44 H new ATOM 0 HA VAL A 523 -2.539 3.355 7.851 1.00 52.33 H new ATOM 0 HB VAL A 523 -0.367 2.269 6.031 1.00 12.32 H new ATOM 0 HG11 VAL A 523 -1.562 3.520 4.294 1.00 62.22 H new ATOM 0 HG12 VAL A 523 -2.594 2.278 5.043 1.00 62.22 H new ATOM 0 HG13 VAL A 523 -2.800 3.990 5.483 1.00 62.22 H new ATOM 0 HG21 VAL A 523 0.223 4.627 5.628 1.00 20.30 H new ATOM 0 HG22 VAL A 523 -0.938 5.128 6.881 1.00 20.30 H new ATOM 0 HG23 VAL A 523 0.490 4.164 7.326 1.00 20.30 H new ATOM 345 N LYS A 524 -3.645 1.194 7.336 1.00 11.24 N ATOM 346 CA LYS A 524 -4.380 -0.047 7.275 1.00 25.40 C ATOM 347 C LYS A 524 -4.414 -0.648 5.890 1.00 21.31 C ATOM 348 O LYS A 524 -4.766 0.010 4.893 1.00 71.10 O ATOM 349 CB LYS A 524 -5.793 0.144 7.809 1.00 13.23 C ATOM 350 CG LYS A 524 -5.849 0.411 9.302 1.00 72.25 C ATOM 351 CD LYS A 524 -5.497 -0.831 10.092 1.00 40.35 C ATOM 352 CE LYS A 524 -5.569 -0.612 11.593 1.00 75.03 C ATOM 353 NZ LYS A 524 -6.926 -0.249 12.063 1.00 25.44 N ATOM 0 H LYS A 524 -4.234 2.022 7.249 1.00 11.24 H new ATOM 0 HA LYS A 524 -3.847 -0.756 7.908 1.00 25.40 H new ATOM 0 HB2 LYS A 524 -6.262 0.975 7.282 1.00 13.23 H new ATOM 0 HB3 LYS A 524 -6.380 -0.747 7.586 1.00 13.23 H new ATOM 0 HG2 LYS A 524 -5.159 1.215 9.557 1.00 72.25 H new ATOM 0 HG3 LYS A 524 -6.848 0.749 9.577 1.00 72.25 H new ATOM 0 HD2 LYS A 524 -6.175 -1.638 9.814 1.00 40.35 H new ATOM 0 HD3 LYS A 524 -4.491 -1.154 9.824 1.00 40.35 H new ATOM 0 HE2 LYS A 524 -5.245 -1.520 12.102 1.00 75.03 H new ATOM 0 HE3 LYS A 524 -4.871 0.177 11.873 1.00 75.03 H new ATOM 0 HZ1 LYS A 524 -6.948 -0.262 13.103 1.00 25.44 H new ATOM 0 HZ2 LYS A 524 -7.168 0.704 11.723 1.00 25.44 H new ATOM 0 HZ3 LYS A 524 -7.616 -0.934 11.694 1.00 25.44 H new ATOM 367 N VAL A 525 -4.042 -1.889 5.846 1.00 34.13 N ATOM 368 CA VAL A 525 -4.044 -2.676 4.635 1.00 3.11 C ATOM 369 C VAL A 525 -5.080 -3.747 4.811 1.00 40.33 C ATOM 370 O VAL A 525 -5.122 -4.398 5.861 1.00 21.10 O ATOM 371 CB VAL A 525 -2.685 -3.365 4.391 1.00 1.13 C ATOM 372 CG1 VAL A 525 -2.544 -3.831 2.952 1.00 61.53 C ATOM 373 CG2 VAL A 525 -1.550 -2.472 4.782 1.00 1.50 C ATOM 0 H VAL A 525 -3.719 -2.403 6.666 1.00 34.13 H new ATOM 0 HA VAL A 525 -4.248 -2.022 3.787 1.00 3.11 H new ATOM 0 HB VAL A 525 -2.650 -4.251 5.026 1.00 1.13 H new ATOM 0 HG11 VAL A 525 -1.575 -4.311 2.818 1.00 61.53 H new ATOM 0 HG12 VAL A 525 -3.336 -4.543 2.721 1.00 61.53 H new ATOM 0 HG13 VAL A 525 -2.620 -2.974 2.283 1.00 61.53 H new ATOM 0 HG21 VAL A 525 -0.605 -2.983 4.599 1.00 1.50 H new ATOM 0 HG22 VAL A 525 -1.587 -1.557 4.192 1.00 1.50 H new ATOM 0 HG23 VAL A 525 -1.630 -2.224 5.841 1.00 1.50 H new ATOM 383 N LEU A 526 -5.904 -3.925 3.829 1.00 42.42 N ATOM 384 CA LEU A 526 -6.968 -4.886 3.908 1.00 32.34 C ATOM 385 C LEU A 526 -6.499 -6.186 3.308 1.00 64.12 C ATOM 386 O LEU A 526 -5.628 -6.186 2.420 1.00 43.23 O ATOM 387 CB LEU A 526 -8.239 -4.389 3.181 1.00 31.12 C ATOM 388 CG LEU A 526 -8.831 -3.035 3.632 1.00 23.03 C ATOM 389 CD1 LEU A 526 -8.940 -2.924 5.146 1.00 64.31 C ATOM 390 CD2 LEU A 526 -8.068 -1.877 3.047 1.00 31.01 C ATOM 0 H LEU A 526 -5.863 -3.411 2.949 1.00 42.42 H new ATOM 0 HA LEU A 526 -7.229 -5.031 4.956 1.00 32.34 H new ATOM 0 HB2 LEU A 526 -8.014 -4.321 2.117 1.00 31.12 H new ATOM 0 HB3 LEU A 526 -9.012 -5.149 3.295 1.00 31.12 H new ATOM 0 HG LEU A 526 -9.848 -2.993 3.242 1.00 23.03 H new ATOM 0 HD11 LEU A 526 -9.362 -1.954 5.410 1.00 64.31 H new ATOM 0 HD12 LEU A 526 -9.587 -3.716 5.523 1.00 64.31 H new ATOM 0 HD13 LEU A 526 -7.950 -3.022 5.590 1.00 64.31 H new ATOM 0 HD21 LEU A 526 -8.512 -0.941 3.385 1.00 31.01 H new ATOM 0 HD22 LEU A 526 -7.029 -1.924 3.373 1.00 31.01 H new ATOM 0 HD23 LEU A 526 -8.110 -1.926 1.959 1.00 31.01 H new ATOM 402 N ARG A 527 -7.045 -7.284 3.784 1.00 40.41 N ATOM 403 CA ARG A 527 -6.653 -8.576 3.294 1.00 50.31 C ATOM 404 C ARG A 527 -7.452 -8.961 2.085 1.00 1.23 C ATOM 405 O ARG A 527 -8.343 -8.232 1.627 1.00 1.23 O ATOM 406 CB ARG A 527 -6.812 -9.693 4.337 1.00 34.13 C ATOM 407 CG ARG A 527 -5.920 -9.598 5.545 1.00 74.10 C ATOM 408 CD ARG A 527 -5.919 -10.904 6.327 1.00 61.15 C ATOM 409 NE ARG A 527 -7.265 -11.337 6.736 1.00 42.20 N ATOM 410 CZ ARG A 527 -7.536 -12.490 7.376 1.00 75.52 C ATOM 411 NH1 ARG A 527 -6.555 -13.227 7.860 1.00 33.12 N ATOM 412 NH2 ARG A 527 -8.790 -12.862 7.578 1.00 0.34 N ATOM 0 H ARG A 527 -7.761 -7.302 4.510 1.00 40.41 H new ATOM 0 HA ARG A 527 -5.596 -8.478 3.046 1.00 50.31 H new ATOM 0 HB2 ARG A 527 -7.848 -9.703 4.675 1.00 34.13 H new ATOM 0 HB3 ARG A 527 -6.627 -10.649 3.848 1.00 34.13 H new ATOM 0 HG2 ARG A 527 -4.904 -9.356 5.233 1.00 74.10 H new ATOM 0 HG3 ARG A 527 -6.258 -8.785 6.188 1.00 74.10 H new ATOM 0 HD2 ARG A 527 -5.463 -11.684 5.718 1.00 61.15 H new ATOM 0 HD3 ARG A 527 -5.297 -10.788 7.214 1.00 61.15 H new ATOM 0 HE ARG A 527 -8.048 -10.720 6.519 1.00 42.20 H new ATOM 0 HH11 ARG A 527 -5.587 -12.924 7.750 1.00 33.12 H new ATOM 0 HH12 ARG A 527 -6.764 -14.100 8.344 1.00 33.12 H new ATOM 0 HH21 ARG A 527 -9.556 -12.274 7.248 1.00 0.34 H new ATOM 0 HH22 ARG A 527 -8.991 -13.736 8.063 1.00 0.34 H new ATOM 426 N THR A 528 -7.131 -10.110 1.593 1.00 2.22 N ATOM 427 CA THR A 528 -7.801 -10.705 0.507 1.00 55.20 C ATOM 428 C THR A 528 -9.109 -11.318 0.983 1.00 44.32 C ATOM 429 O THR A 528 -9.292 -11.571 2.191 1.00 60.15 O ATOM 430 CB THR A 528 -6.886 -11.775 -0.185 1.00 32.55 C ATOM 431 OG1 THR A 528 -7.643 -12.623 -1.053 1.00 32.04 O ATOM 432 CG2 THR A 528 -6.118 -12.611 0.823 1.00 62.34 C ATOM 0 H THR A 528 -6.364 -10.675 1.957 1.00 2.22 H new ATOM 0 HA THR A 528 -8.031 -9.941 -0.235 1.00 55.20 H new ATOM 0 HB THR A 528 -6.160 -11.223 -0.781 1.00 32.55 H new ATOM 0 HG1 THR A 528 -7.137 -13.443 -1.232 1.00 32.04 H new ATOM 0 HG21 THR A 528 -5.499 -13.337 0.297 1.00 62.34 H new ATOM 0 HG22 THR A 528 -5.483 -11.962 1.426 1.00 62.34 H new ATOM 0 HG23 THR A 528 -6.820 -13.135 1.471 1.00 62.34 H new ATOM 440 N SER A 529 -10.012 -11.532 0.054 1.00 73.15 N ATOM 441 CA SER A 529 -11.257 -12.157 0.345 1.00 1.52 C ATOM 442 C SER A 529 -10.996 -13.660 0.547 1.00 30.43 C ATOM 443 O SER A 529 -11.792 -14.364 1.165 1.00 44.22 O ATOM 444 CB SER A 529 -12.263 -11.883 -0.799 1.00 71.23 C ATOM 445 OG SER A 529 -13.594 -12.298 -0.472 1.00 2.55 O ATOM 0 H SER A 529 -9.892 -11.272 -0.925 1.00 73.15 H new ATOM 0 HA SER A 529 -11.699 -11.753 1.256 1.00 1.52 H new ATOM 0 HB2 SER A 529 -12.265 -10.818 -1.029 1.00 71.23 H new ATOM 0 HB3 SER A 529 -11.935 -12.403 -1.699 1.00 71.23 H new ATOM 0 HG SER A 529 -14.191 -12.103 -1.224 1.00 2.55 H new ATOM 451 N GLY A 530 -9.860 -14.132 0.028 1.00 55.32 N ATOM 452 CA GLY A 530 -9.458 -15.496 0.242 1.00 3.33 C ATOM 453 C GLY A 530 -8.145 -15.565 0.990 1.00 42.20 C ATOM 454 O GLY A 530 -7.132 -15.985 0.436 1.00 72.13 O ATOM 0 H GLY A 530 -9.215 -13.581 -0.539 1.00 55.32 H new ATOM 0 HA2 GLY A 530 -10.229 -16.022 0.805 1.00 3.33 H new ATOM 0 HA3 GLY A 530 -9.361 -16.005 -0.717 1.00 3.33 H new ATOM 458 N ALA A 531 -8.147 -15.129 2.237 1.00 41.22 N ATOM 459 CA ALA A 531 -6.932 -15.111 3.042 1.00 61.31 C ATOM 460 C ALA A 531 -6.568 -16.504 3.537 1.00 61.12 C ATOM 461 O ALA A 531 -7.130 -17.006 4.520 1.00 65.34 O ATOM 462 CB ALA A 531 -7.045 -14.116 4.199 1.00 72.31 C ATOM 0 H ALA A 531 -8.977 -14.781 2.718 1.00 41.22 H new ATOM 0 HA ALA A 531 -6.119 -14.774 2.399 1.00 61.31 H new ATOM 0 HB1 ALA A 531 -6.123 -14.127 4.780 1.00 72.31 H new ATOM 0 HB2 ALA A 531 -7.212 -13.115 3.803 1.00 72.31 H new ATOM 0 HB3 ALA A 531 -7.881 -14.397 4.840 1.00 72.31 H new ATOM 468 N ARG A 532 -5.681 -17.153 2.805 1.00 0.53 N ATOM 469 CA ARG A 532 -5.193 -18.474 3.130 1.00 0.34 C ATOM 470 C ARG A 532 -3.687 -18.521 2.979 1.00 63.33 C ATOM 471 O ARG A 532 -3.153 -18.146 1.929 1.00 0.33 O ATOM 472 CB ARG A 532 -5.813 -19.540 2.211 1.00 31.40 C ATOM 473 CG ARG A 532 -7.322 -19.679 2.306 1.00 65.22 C ATOM 474 CD ARG A 532 -7.742 -19.969 3.728 1.00 14.35 C ATOM 475 NE ARG A 532 -9.171 -20.228 3.839 1.00 24.42 N ATOM 476 CZ ARG A 532 -10.051 -19.424 4.441 1.00 62.22 C ATOM 477 NH1 ARG A 532 -9.673 -18.246 4.918 1.00 43.34 N ATOM 478 NH2 ARG A 532 -11.310 -19.802 4.550 1.00 71.32 N ATOM 0 H ARG A 532 -5.274 -16.767 1.953 1.00 0.53 H new ATOM 0 HA ARG A 532 -5.477 -18.686 4.161 1.00 0.34 H new ATOM 0 HB2 ARG A 532 -5.550 -19.304 1.180 1.00 31.40 H new ATOM 0 HB3 ARG A 532 -5.360 -20.504 2.443 1.00 31.40 H new ATOM 0 HG2 ARG A 532 -7.799 -18.762 1.960 1.00 65.22 H new ATOM 0 HG3 ARG A 532 -7.660 -20.481 1.651 1.00 65.22 H new ATOM 0 HD2 ARG A 532 -7.189 -20.831 4.100 1.00 14.35 H new ATOM 0 HD3 ARG A 532 -7.478 -19.123 4.363 1.00 14.35 H new ATOM 0 HE ARG A 532 -9.527 -21.090 3.425 1.00 24.42 H new ATOM 0 HH11 ARG A 532 -8.702 -17.947 4.827 1.00 43.34 H new ATOM 0 HH12 ARG A 532 -10.353 -17.639 5.376 1.00 43.34 H new ATOM 0 HH21 ARG A 532 -11.606 -20.703 4.176 1.00 71.32 H new ATOM 0 HH22 ARG A 532 -11.987 -19.193 5.009 1.00 71.32 H new ATOM 492 N GLY A 533 -3.014 -18.976 4.011 1.00 74.33 N ATOM 493 CA GLY A 533 -1.584 -19.131 3.956 1.00 50.11 C ATOM 494 C GLY A 533 -0.822 -17.933 4.486 1.00 52.11 C ATOM 495 O GLY A 533 -1.412 -16.927 4.887 1.00 13.20 O ATOM 0 H GLY A 533 -3.438 -19.245 4.899 1.00 74.33 H new ATOM 0 HA2 GLY A 533 -1.301 -20.014 4.529 1.00 50.11 H new ATOM 0 HA3 GLY A 533 -1.286 -19.312 2.923 1.00 50.11 H new ATOM 499 N ASN A 534 0.478 -18.073 4.534 1.00 71.22 N ATOM 500 CA ASN A 534 1.378 -17.031 4.964 1.00 4.54 C ATOM 501 C ASN A 534 1.881 -16.318 3.738 1.00 74.45 C ATOM 502 O ASN A 534 2.412 -16.950 2.803 1.00 60.34 O ATOM 503 CB ASN A 534 2.559 -17.631 5.760 1.00 3.02 C ATOM 504 CG ASN A 534 3.597 -16.608 6.272 1.00 54.13 C ATOM 505 OD1 ASN A 534 4.774 -16.925 6.390 1.00 42.52 O ATOM 506 ND2 ASN A 534 3.179 -15.412 6.619 1.00 34.44 N ATOM 0 H ASN A 534 0.953 -18.936 4.269 1.00 71.22 H new ATOM 0 HA ASN A 534 0.858 -16.333 5.620 1.00 4.54 H new ATOM 0 HB2 ASN A 534 2.160 -18.177 6.614 1.00 3.02 H new ATOM 0 HB3 ASN A 534 3.070 -18.357 5.128 1.00 3.02 H new ATOM 0 HD21 ASN A 534 3.839 -14.730 6.994 1.00 34.44 H new ATOM 0 HD22 ASN A 534 2.195 -15.165 6.514 1.00 34.44 H new ATOM 513 N VAL A 535 1.672 -15.040 3.701 1.00 74.21 N ATOM 514 CA VAL A 535 2.075 -14.239 2.585 1.00 21.03 C ATOM 515 C VAL A 535 2.892 -13.072 3.095 1.00 65.42 C ATOM 516 O VAL A 535 2.512 -12.421 4.077 1.00 45.24 O ATOM 517 CB VAL A 535 0.844 -13.723 1.770 1.00 44.44 C ATOM 518 CG1 VAL A 535 1.284 -12.919 0.569 1.00 42.42 C ATOM 519 CG2 VAL A 535 -0.009 -14.880 1.301 1.00 21.42 C ATOM 0 H VAL A 535 1.214 -14.518 4.448 1.00 74.21 H new ATOM 0 HA VAL A 535 2.673 -14.852 1.911 1.00 21.03 H new ATOM 0 HB VAL A 535 0.260 -13.084 2.433 1.00 44.44 H new ATOM 0 HG11 VAL A 535 0.407 -12.573 0.021 1.00 42.42 H new ATOM 0 HG12 VAL A 535 1.867 -12.060 0.900 1.00 42.42 H new ATOM 0 HG13 VAL A 535 1.896 -13.543 -0.082 1.00 42.42 H new ATOM 0 HG21 VAL A 535 -0.860 -14.499 0.736 1.00 21.42 H new ATOM 0 HG22 VAL A 535 0.585 -15.535 0.664 1.00 21.42 H new ATOM 0 HG23 VAL A 535 -0.368 -15.441 2.164 1.00 21.42 H new ATOM 529 N ILE A 536 4.018 -12.843 2.479 1.00 0.52 N ATOM 530 CA ILE A 536 4.871 -11.742 2.843 1.00 34.34 C ATOM 531 C ILE A 536 4.717 -10.652 1.818 1.00 11.55 C ATOM 532 O ILE A 536 4.769 -10.914 0.613 1.00 13.22 O ATOM 533 CB ILE A 536 6.365 -12.172 2.976 1.00 50.15 C ATOM 534 CG1 ILE A 536 6.536 -13.170 4.132 1.00 31.41 C ATOM 535 CG2 ILE A 536 7.282 -10.968 3.176 1.00 45.33 C ATOM 536 CD1 ILE A 536 6.075 -12.637 5.474 1.00 4.12 C ATOM 0 H ILE A 536 4.372 -13.413 1.711 1.00 0.52 H new ATOM 0 HA ILE A 536 4.568 -11.377 3.824 1.00 34.34 H new ATOM 0 HB ILE A 536 6.652 -12.657 2.043 1.00 50.15 H new ATOM 0 HG12 ILE A 536 5.979 -14.078 3.901 1.00 31.41 H new ATOM 0 HG13 ILE A 536 7.587 -13.451 4.205 1.00 31.41 H new ATOM 0 HG21 ILE A 536 8.314 -11.307 3.264 1.00 45.33 H new ATOM 0 HG22 ILE A 536 7.193 -10.297 2.322 1.00 45.33 H new ATOM 0 HG23 ILE A 536 6.995 -10.439 4.085 1.00 45.33 H new ATOM 0 HD11 ILE A 536 6.227 -13.398 6.239 1.00 4.12 H new ATOM 0 HD12 ILE A 536 6.649 -11.746 5.728 1.00 4.12 H new ATOM 0 HD13 ILE A 536 5.016 -12.383 5.420 1.00 4.12 H new ATOM 548 N VAL A 537 4.474 -9.458 2.275 1.00 40.43 N ATOM 549 CA VAL A 537 4.285 -8.344 1.384 1.00 20.51 C ATOM 550 C VAL A 537 5.368 -7.303 1.632 1.00 44.03 C ATOM 551 O VAL A 537 5.411 -6.713 2.700 1.00 2.34 O ATOM 552 CB VAL A 537 2.897 -7.672 1.576 1.00 35.21 C ATOM 553 CG1 VAL A 537 2.604 -6.671 0.462 1.00 11.42 C ATOM 554 CG2 VAL A 537 1.789 -8.705 1.704 1.00 4.22 C ATOM 0 H VAL A 537 4.401 -9.227 3.266 1.00 40.43 H new ATOM 0 HA VAL A 537 4.342 -8.729 0.366 1.00 20.51 H new ATOM 0 HB VAL A 537 2.931 -7.117 2.513 1.00 35.21 H new ATOM 0 HG11 VAL A 537 1.626 -6.219 0.627 1.00 11.42 H new ATOM 0 HG12 VAL A 537 3.367 -5.893 0.462 1.00 11.42 H new ATOM 0 HG13 VAL A 537 2.609 -7.185 -0.499 1.00 11.42 H new ATOM 0 HG21 VAL A 537 0.833 -8.199 1.837 1.00 4.22 H new ATOM 0 HG22 VAL A 537 1.754 -9.315 0.801 1.00 4.22 H new ATOM 0 HG23 VAL A 537 1.984 -9.343 2.566 1.00 4.22 H new ATOM 564 N PRO A 538 6.282 -7.101 0.687 1.00 0.05 N ATOM 565 CA PRO A 538 7.298 -6.067 0.814 1.00 34.33 C ATOM 566 C PRO A 538 6.677 -4.683 0.592 1.00 61.03 C ATOM 567 O PRO A 538 5.669 -4.555 -0.110 1.00 30.11 O ATOM 568 CB PRO A 538 8.294 -6.398 -0.304 1.00 73.02 C ATOM 569 CG PRO A 538 7.499 -7.142 -1.323 1.00 44.13 C ATOM 570 CD PRO A 538 6.403 -7.857 -0.576 1.00 42.11 C ATOM 0 HA PRO A 538 7.763 -6.043 1.799 1.00 34.33 H new ATOM 0 HB2 PRO A 538 8.728 -5.492 -0.727 1.00 73.02 H new ATOM 0 HB3 PRO A 538 9.120 -7.003 0.070 1.00 73.02 H new ATOM 0 HG2 PRO A 538 7.082 -6.459 -2.063 1.00 44.13 H new ATOM 0 HG3 PRO A 538 8.127 -7.851 -1.862 1.00 44.13 H new ATOM 0 HD2 PRO A 538 5.468 -7.851 -1.136 1.00 42.11 H new ATOM 0 HD3 PRO A 538 6.659 -8.901 -0.394 1.00 42.11 H new ATOM 578 N TYR A 539 7.231 -3.676 1.206 1.00 14.41 N ATOM 579 CA TYR A 539 6.736 -2.327 1.050 1.00 51.01 C ATOM 580 C TYR A 539 7.872 -1.363 1.228 1.00 44.14 C ATOM 581 O TYR A 539 8.883 -1.705 1.865 1.00 73.31 O ATOM 582 CB TYR A 539 5.617 -2.018 2.066 1.00 10.10 C ATOM 583 CG TYR A 539 6.058 -2.012 3.517 1.00 31.14 C ATOM 584 CD1 TYR A 539 6.113 -3.179 4.243 1.00 20.21 C ATOM 585 CD2 TYR A 539 6.417 -0.832 4.152 1.00 14.11 C ATOM 586 CE1 TYR A 539 6.512 -3.181 5.559 1.00 51.32 C ATOM 587 CE2 TYR A 539 6.815 -0.828 5.467 1.00 52.54 C ATOM 588 CZ TYR A 539 6.864 -2.004 6.167 1.00 74.44 C ATOM 589 OH TYR A 539 7.274 -2.007 7.483 1.00 53.44 O ATOM 0 H TYR A 539 8.035 -3.761 1.827 1.00 14.41 H new ATOM 0 HA TYR A 539 6.313 -2.225 0.050 1.00 51.01 H new ATOM 0 HB2 TYR A 539 5.188 -1.045 1.828 1.00 10.10 H new ATOM 0 HB3 TYR A 539 4.823 -2.755 1.946 1.00 10.10 H new ATOM 0 HD1 TYR A 539 5.838 -4.111 3.771 1.00 20.21 H new ATOM 0 HD2 TYR A 539 6.383 0.098 3.604 1.00 14.11 H new ATOM 0 HE1 TYR A 539 6.548 -4.108 6.112 1.00 51.32 H new ATOM 0 HE2 TYR A 539 7.088 0.100 5.947 1.00 52.54 H new ATOM 0 HH TYR A 539 7.488 -1.092 7.761 1.00 53.44 H new ATOM 599 N LYS A 540 7.719 -0.173 0.690 1.00 3.11 N ATOM 600 CA LYS A 540 8.737 0.836 0.789 1.00 33.55 C ATOM 601 C LYS A 540 8.200 2.254 0.618 1.00 72.12 C ATOM 602 O LYS A 540 7.192 2.472 -0.079 1.00 11.15 O ATOM 603 CB LYS A 540 9.931 0.518 -0.150 1.00 24.05 C ATOM 604 CG LYS A 540 9.573 0.182 -1.582 1.00 72.15 C ATOM 605 CD LYS A 540 9.109 1.383 -2.355 1.00 60.40 C ATOM 606 CE LYS A 540 10.234 2.392 -2.602 1.00 51.44 C ATOM 607 NZ LYS A 540 11.362 1.815 -3.363 1.00 72.23 N ATOM 0 H LYS A 540 6.888 0.116 0.175 1.00 3.11 H new ATOM 0 HA LYS A 540 9.115 0.807 1.811 1.00 33.55 H new ATOM 0 HB2 LYS A 540 10.603 1.376 -0.155 1.00 24.05 H new ATOM 0 HB3 LYS A 540 10.487 -0.319 0.272 1.00 24.05 H new ATOM 0 HG2 LYS A 540 10.441 -0.252 -2.078 1.00 72.15 H new ATOM 0 HG3 LYS A 540 8.790 -0.576 -1.589 1.00 72.15 H new ATOM 0 HD2 LYS A 540 8.699 1.059 -3.312 1.00 60.40 H new ATOM 0 HD3 LYS A 540 8.300 1.871 -1.811 1.00 60.40 H new ATOM 0 HE2 LYS A 540 9.835 3.249 -3.145 1.00 51.44 H new ATOM 0 HE3 LYS A 540 10.599 2.764 -1.645 1.00 51.44 H new ATOM 0 HZ1 LYS A 540 11.968 2.581 -3.720 1.00 72.23 H new ATOM 0 HZ2 LYS A 540 11.919 1.195 -2.741 1.00 72.23 H new ATOM 0 HZ3 LYS A 540 10.994 1.263 -4.164 1.00 72.23 H new ATOM 621 N THR A 541 8.802 3.175 1.336 1.00 75.34 N ATOM 622 CA THR A 541 8.557 4.591 1.179 1.00 74.13 C ATOM 623 C THR A 541 9.255 5.135 -0.069 1.00 72.33 C ATOM 624 O THR A 541 10.407 4.805 -0.330 1.00 30.30 O ATOM 625 CB THR A 541 9.086 5.365 2.410 1.00 21.42 C ATOM 626 OG1 THR A 541 10.343 4.805 2.844 1.00 52.33 O ATOM 627 CG2 THR A 541 8.102 5.345 3.548 1.00 34.24 C ATOM 0 H THR A 541 9.488 2.957 2.059 1.00 75.34 H new ATOM 0 HA THR A 541 7.480 4.729 1.081 1.00 74.13 H new ATOM 0 HB THR A 541 9.230 6.403 2.109 1.00 21.42 H new ATOM 0 HG1 THR A 541 11.065 5.140 2.273 1.00 52.33 H new ATOM 0 HG21 THR A 541 8.511 5.899 4.393 1.00 34.24 H new ATOM 0 HG22 THR A 541 7.168 5.807 3.229 1.00 34.24 H new ATOM 0 HG23 THR A 541 7.913 4.314 3.848 1.00 34.24 H new ATOM 635 N ILE A 542 8.553 5.912 -0.839 1.00 52.12 N ATOM 636 CA ILE A 542 9.127 6.622 -1.964 1.00 61.12 C ATOM 637 C ILE A 542 9.374 8.029 -1.467 1.00 64.42 C ATOM 638 O ILE A 542 8.453 8.642 -0.939 1.00 0.22 O ATOM 639 CB ILE A 542 8.172 6.682 -3.224 1.00 30.25 C ATOM 640 CG1 ILE A 542 7.851 5.295 -3.821 1.00 22.45 C ATOM 641 CG2 ILE A 542 8.743 7.578 -4.311 1.00 74.42 C ATOM 642 CD1 ILE A 542 6.903 4.443 -3.010 1.00 4.13 C ATOM 0 H ILE A 542 7.555 6.078 -0.710 1.00 52.12 H new ATOM 0 HA ILE A 542 10.028 6.107 -2.297 1.00 61.12 H new ATOM 0 HB ILE A 542 7.237 7.103 -2.854 1.00 30.25 H new ATOM 0 HG12 ILE A 542 7.426 5.436 -4.815 1.00 22.45 H new ATOM 0 HG13 ILE A 542 8.785 4.748 -3.948 1.00 22.45 H new ATOM 0 HG21 ILE A 542 8.062 7.597 -5.162 1.00 74.42 H new ATOM 0 HG22 ILE A 542 8.866 8.589 -3.922 1.00 74.42 H new ATOM 0 HG23 ILE A 542 9.711 7.192 -4.630 1.00 74.42 H new ATOM 0 HD11 ILE A 542 6.745 3.491 -3.517 1.00 4.13 H new ATOM 0 HD12 ILE A 542 7.330 4.262 -2.023 1.00 4.13 H new ATOM 0 HD13 ILE A 542 5.949 4.960 -2.903 1.00 4.13 H new ATOM 654 N GLU A 543 10.601 8.509 -1.620 1.00 23.43 N ATOM 655 CA GLU A 543 11.056 9.812 -1.095 1.00 45.20 C ATOM 656 C GLU A 543 10.098 10.964 -1.432 1.00 11.15 C ATOM 657 O GLU A 543 9.792 11.806 -0.576 1.00 2.11 O ATOM 658 CB GLU A 543 12.468 10.182 -1.611 1.00 43.14 C ATOM 659 CG GLU A 543 13.544 9.100 -1.471 1.00 23.41 C ATOM 660 CD GLU A 543 13.469 8.042 -2.556 1.00 2.32 C ATOM 661 OE1 GLU A 543 12.762 7.043 -2.372 1.00 10.13 O ATOM 662 OE2 GLU A 543 14.108 8.209 -3.622 1.00 70.45 O ATOM 0 H GLU A 543 11.331 8.002 -2.121 1.00 23.43 H new ATOM 0 HA GLU A 543 11.080 9.685 -0.013 1.00 45.20 H new ATOM 0 HB2 GLU A 543 12.388 10.452 -2.664 1.00 43.14 H new ATOM 0 HB3 GLU A 543 12.805 11.071 -1.079 1.00 43.14 H new ATOM 0 HG2 GLU A 543 14.528 9.569 -1.496 1.00 23.41 H new ATOM 0 HG3 GLU A 543 13.444 8.621 -0.497 1.00 23.41 H new ATOM 669 N GLY A 544 9.646 11.007 -2.670 1.00 2.23 N ATOM 670 CA GLY A 544 8.767 12.059 -3.102 1.00 50.34 C ATOM 671 C GLY A 544 9.528 13.352 -3.217 1.00 43.11 C ATOM 672 O GLY A 544 10.254 13.566 -4.188 1.00 0.12 O ATOM 0 H GLY A 544 9.877 10.322 -3.390 1.00 2.23 H new ATOM 0 HA2 GLY A 544 8.324 11.802 -4.064 1.00 50.34 H new ATOM 0 HA3 GLY A 544 7.947 12.172 -2.393 1.00 50.34 H new ATOM 676 N THR A 545 9.397 14.185 -2.227 1.00 42.22 N ATOM 677 CA THR A 545 10.129 15.427 -2.178 1.00 50.01 C ATOM 678 C THR A 545 10.729 15.612 -0.769 1.00 73.41 C ATOM 679 O THR A 545 11.245 16.675 -0.414 1.00 1.20 O ATOM 680 CB THR A 545 9.221 16.634 -2.591 1.00 54.54 C ATOM 681 OG1 THR A 545 9.959 17.868 -2.597 1.00 11.33 O ATOM 682 CG2 THR A 545 8.023 16.764 -1.663 1.00 31.14 C ATOM 0 H THR A 545 8.782 14.028 -1.429 1.00 42.22 H new ATOM 0 HA THR A 545 10.946 15.392 -2.898 1.00 50.01 H new ATOM 0 HB THR A 545 8.866 16.433 -3.602 1.00 54.54 H new ATOM 0 HG1 THR A 545 10.618 17.859 -1.871 1.00 11.33 H new ATOM 0 HG21 THR A 545 7.411 17.611 -1.975 1.00 31.14 H new ATOM 0 HG22 THR A 545 7.429 15.851 -1.706 1.00 31.14 H new ATOM 0 HG23 THR A 545 8.369 16.923 -0.642 1.00 31.14 H new ATOM 690 N ALA A 546 10.668 14.563 0.023 1.00 74.33 N ATOM 691 CA ALA A 546 11.234 14.581 1.349 1.00 50.13 C ATOM 692 C ALA A 546 12.725 14.232 1.288 1.00 64.25 C ATOM 693 O ALA A 546 13.221 13.789 0.249 1.00 71.25 O ATOM 694 CB ALA A 546 10.483 13.618 2.246 1.00 23.31 C ATOM 0 H ALA A 546 10.227 13.680 -0.235 1.00 74.33 H new ATOM 0 HA ALA A 546 11.137 15.582 1.769 1.00 50.13 H new ATOM 0 HB1 ALA A 546 10.917 13.638 3.246 1.00 23.31 H new ATOM 0 HB2 ALA A 546 9.435 13.913 2.300 1.00 23.31 H new ATOM 0 HB3 ALA A 546 10.556 12.609 1.839 1.00 23.31 H new ATOM 700 N ARG A 547 13.428 14.443 2.379 1.00 32.12 N ATOM 701 CA ARG A 547 14.852 14.169 2.446 1.00 61.04 C ATOM 702 C ARG A 547 15.026 12.695 2.812 1.00 2.10 C ATOM 703 O ARG A 547 14.066 12.068 3.243 1.00 52.40 O ATOM 704 CB ARG A 547 15.488 15.073 3.510 1.00 11.31 C ATOM 705 CG ARG A 547 17.001 15.173 3.478 1.00 35.41 C ATOM 706 CD ARG A 547 17.515 15.784 2.211 1.00 4.12 C ATOM 707 NE ARG A 547 18.945 16.030 2.295 1.00 2.41 N ATOM 708 CZ ARG A 547 19.607 16.956 1.611 1.00 55.43 C ATOM 709 NH1 ARG A 547 18.971 17.741 0.736 1.00 4.52 N ATOM 710 NH2 ARG A 547 20.905 17.103 1.815 1.00 63.44 N ATOM 0 H ARG A 547 13.032 14.809 3.245 1.00 32.12 H new ATOM 0 HA ARG A 547 15.339 14.369 1.492 1.00 61.04 H new ATOM 0 HB2 ARG A 547 15.075 16.076 3.401 1.00 11.31 H new ATOM 0 HB3 ARG A 547 15.188 14.710 4.493 1.00 11.31 H new ATOM 0 HG2 ARG A 547 17.339 15.768 4.326 1.00 35.41 H new ATOM 0 HG3 ARG A 547 17.429 14.178 3.596 1.00 35.41 H new ATOM 0 HD2 ARG A 547 17.305 15.121 1.372 1.00 4.12 H new ATOM 0 HD3 ARG A 547 16.992 16.720 2.016 1.00 4.12 H new ATOM 0 HE ARG A 547 19.484 15.443 2.932 1.00 2.41 H new ATOM 0 HH11 ARG A 547 17.968 17.632 0.588 1.00 4.52 H new ATOM 0 HH12 ARG A 547 19.489 18.449 0.216 1.00 4.52 H new ATOM 0 HH21 ARG A 547 21.386 16.509 2.491 1.00 63.44 H new ATOM 0 HH22 ARG A 547 21.426 17.810 1.297 1.00 63.44 H new ATOM 724 N GLY A 548 16.237 12.175 2.663 1.00 33.34 N ATOM 725 CA GLY A 548 16.531 10.767 2.900 1.00 62.44 C ATOM 726 C GLY A 548 16.193 10.246 4.293 1.00 44.43 C ATOM 727 O GLY A 548 15.812 11.010 5.210 1.00 64.44 O ATOM 0 H GLY A 548 17.048 12.721 2.373 1.00 33.34 H new ATOM 0 HA2 GLY A 548 15.985 10.173 2.167 1.00 62.44 H new ATOM 0 HA3 GLY A 548 17.593 10.601 2.718 1.00 62.44 H new ATOM 731 N GLY A 549 16.368 8.948 4.442 1.00 55.32 N ATOM 732 CA GLY A 549 16.045 8.243 5.652 1.00 32.31 C ATOM 733 C GLY A 549 16.760 8.769 6.872 1.00 31.32 C ATOM 734 O GLY A 549 17.984 8.761 6.944 1.00 51.30 O ATOM 0 H GLY A 549 16.746 8.349 3.708 1.00 55.32 H new ATOM 0 HA2 GLY A 549 14.969 8.301 5.819 1.00 32.31 H new ATOM 0 HA3 GLY A 549 16.291 7.189 5.524 1.00 32.31 H new ATOM 738 N GLY A 550 15.993 9.257 7.801 1.00 31.34 N ATOM 739 CA GLY A 550 16.524 9.739 9.036 1.00 41.12 C ATOM 740 C GLY A 550 16.540 11.240 9.086 1.00 34.43 C ATOM 741 O GLY A 550 16.686 11.822 10.150 1.00 15.13 O ATOM 0 H GLY A 550 14.979 9.331 7.721 1.00 31.34 H new ATOM 0 HA2 GLY A 550 15.928 9.354 9.863 1.00 41.12 H new ATOM 0 HA3 GLY A 550 17.537 9.360 9.169 1.00 41.12 H new ATOM 745 N GLU A 551 16.377 11.867 7.942 1.00 4.01 N ATOM 746 CA GLU A 551 16.381 13.315 7.865 1.00 54.54 C ATOM 747 C GLU A 551 14.988 13.850 8.005 1.00 42.43 C ATOM 748 O GLU A 551 14.682 14.577 8.939 1.00 25.32 O ATOM 749 CB GLU A 551 16.896 13.776 6.527 1.00 13.14 C ATOM 750 CG GLU A 551 18.306 13.413 6.207 1.00 22.10 C ATOM 751 CD GLU A 551 19.298 14.115 7.097 1.00 21.32 C ATOM 752 OE1 GLU A 551 19.701 15.258 6.773 1.00 74.52 O ATOM 753 OE2 GLU A 551 19.695 13.563 8.130 1.00 31.44 O ATOM 0 H GLU A 551 16.239 11.396 7.048 1.00 4.01 H new ATOM 0 HA GLU A 551 17.021 13.679 8.669 1.00 54.54 H new ATOM 0 HB2 GLU A 551 16.251 13.364 5.751 1.00 13.14 H new ATOM 0 HB3 GLU A 551 16.801 14.861 6.478 1.00 13.14 H new ATOM 0 HG2 GLU A 551 18.432 12.335 6.307 1.00 22.10 H new ATOM 0 HG3 GLU A 551 18.515 13.663 5.167 1.00 22.10 H new ATOM 760 N ASP A 552 14.157 13.500 7.047 1.00 50.41 N ATOM 761 CA ASP A 552 12.789 14.006 7.000 1.00 74.10 C ATOM 762 C ASP A 552 11.836 12.883 7.380 1.00 21.53 C ATOM 763 O ASP A 552 10.908 13.061 8.168 1.00 32.42 O ATOM 764 CB ASP A 552 12.492 14.515 5.587 1.00 22.02 C ATOM 765 CG ASP A 552 11.397 15.551 5.517 1.00 21.53 C ATOM 766 OD1 ASP A 552 10.235 15.216 5.572 1.00 74.34 O ATOM 767 OD2 ASP A 552 11.727 16.771 5.348 1.00 10.01 O ATOM 0 H ASP A 552 14.399 12.866 6.286 1.00 50.41 H new ATOM 0 HA ASP A 552 12.661 14.830 7.702 1.00 74.10 H new ATOM 0 HB2 ASP A 552 13.404 14.939 5.167 1.00 22.02 H new ATOM 0 HB3 ASP A 552 12.215 13.668 4.959 1.00 22.02 H new ATOM 772 N PHE A 553 12.096 11.712 6.849 1.00 23.23 N ATOM 773 CA PHE A 553 11.338 10.541 7.187 1.00 45.45 C ATOM 774 C PHE A 553 12.316 9.436 7.445 1.00 51.14 C ATOM 775 O PHE A 553 13.449 9.502 6.975 1.00 42.25 O ATOM 776 CB PHE A 553 10.348 10.135 6.066 1.00 33.51 C ATOM 777 CG PHE A 553 10.969 9.624 4.777 1.00 33.35 C ATOM 778 CD1 PHE A 553 11.279 10.485 3.744 1.00 75.52 C ATOM 779 CD2 PHE A 553 11.216 8.270 4.604 1.00 45.24 C ATOM 780 CE1 PHE A 553 11.824 10.009 2.563 1.00 64.20 C ATOM 781 CE2 PHE A 553 11.764 7.790 3.432 1.00 13.52 C ATOM 782 CZ PHE A 553 12.067 8.660 2.411 1.00 63.42 C ATOM 0 H PHE A 553 12.840 11.549 6.171 1.00 23.23 H new ATOM 0 HA PHE A 553 10.731 10.747 8.068 1.00 45.45 H new ATOM 0 HB2 PHE A 553 9.685 9.363 6.457 1.00 33.51 H new ATOM 0 HB3 PHE A 553 9.726 10.998 5.828 1.00 33.51 H new ATOM 0 HD1 PHE A 553 11.094 11.543 3.858 1.00 75.52 H new ATOM 0 HD2 PHE A 553 10.976 7.580 5.400 1.00 45.24 H new ATOM 0 HE1 PHE A 553 12.059 10.694 1.762 1.00 64.20 H new ATOM 0 HE2 PHE A 553 11.955 6.733 3.317 1.00 13.52 H new ATOM 0 HZ PHE A 553 12.494 8.288 1.492 1.00 63.42 H new ATOM 792 N GLU A 554 11.923 8.468 8.203 1.00 44.32 N ATOM 793 CA GLU A 554 12.758 7.328 8.474 1.00 71.14 C ATOM 794 C GLU A 554 12.525 6.365 7.312 1.00 13.34 C ATOM 795 O GLU A 554 11.371 6.118 6.958 1.00 22.11 O ATOM 796 CB GLU A 554 12.305 6.734 9.817 1.00 12.11 C ATOM 797 CG GLU A 554 13.277 5.816 10.551 1.00 32.14 C ATOM 798 CD GLU A 554 13.543 4.500 9.880 1.00 23.42 C ATOM 799 OE1 GLU A 554 12.713 3.584 10.008 1.00 2.10 O ATOM 800 OE2 GLU A 554 14.611 4.344 9.266 1.00 13.33 O ATOM 0 H GLU A 554 11.011 8.438 8.658 1.00 44.32 H new ATOM 0 HA GLU A 554 13.820 7.560 8.552 1.00 71.14 H new ATOM 0 HB2 GLU A 554 12.057 7.561 10.483 1.00 12.11 H new ATOM 0 HB3 GLU A 554 11.384 6.177 9.644 1.00 12.11 H new ATOM 0 HG2 GLU A 554 14.224 6.341 10.675 1.00 32.14 H new ATOM 0 HG3 GLU A 554 12.886 5.624 11.550 1.00 32.14 H new ATOM 807 N ASP A 555 13.603 5.893 6.686 1.00 2.13 N ATOM 808 CA ASP A 555 13.522 4.993 5.512 1.00 72.05 C ATOM 809 C ASP A 555 12.699 3.803 5.836 1.00 23.04 C ATOM 810 O ASP A 555 13.121 2.932 6.601 1.00 22.31 O ATOM 811 CB ASP A 555 14.888 4.495 5.104 1.00 62.01 C ATOM 812 CG ASP A 555 14.830 3.577 3.896 1.00 34.02 C ATOM 813 OD1 ASP A 555 14.695 4.069 2.765 1.00 73.45 O ATOM 814 OD2 ASP A 555 14.905 2.353 4.056 1.00 3.22 O ATOM 0 H ASP A 555 14.557 6.116 6.969 1.00 2.13 H new ATOM 0 HA ASP A 555 13.079 5.569 4.699 1.00 72.05 H new ATOM 0 HB2 ASP A 555 15.531 5.346 4.880 1.00 62.01 H new ATOM 0 HB3 ASP A 555 15.343 3.964 5.940 1.00 62.01 H new ATOM 819 N THR A 556 11.553 3.733 5.294 1.00 31.05 N ATOM 820 CA THR A 556 10.724 2.696 5.642 1.00 31.23 C ATOM 821 C THR A 556 10.548 1.697 4.512 1.00 4.12 C ATOM 822 O THR A 556 9.784 1.913 3.572 1.00 61.51 O ATOM 823 CB THR A 556 9.398 3.212 6.160 1.00 24.11 C ATOM 824 OG1 THR A 556 9.631 4.135 7.235 1.00 13.12 O ATOM 825 CG2 THR A 556 8.625 2.070 6.670 1.00 13.12 C ATOM 0 H THR A 556 11.181 4.390 4.608 1.00 31.05 H new ATOM 0 HA THR A 556 11.205 2.152 6.455 1.00 31.23 H new ATOM 0 HB THR A 556 8.855 3.716 5.361 1.00 24.11 H new ATOM 0 HG1 THR A 556 10.120 4.914 6.897 1.00 13.12 H new ATOM 0 HG21 THR A 556 7.665 2.421 7.048 1.00 13.12 H new ATOM 0 HG22 THR A 556 8.458 1.355 5.865 1.00 13.12 H new ATOM 0 HG23 THR A 556 9.178 1.587 7.476 1.00 13.12 H new ATOM 833 N CYS A 557 11.300 0.650 4.589 1.00 70.13 N ATOM 834 CA CYS A 557 11.194 -0.436 3.683 1.00 61.51 C ATOM 835 C CYS A 557 11.284 -1.707 4.490 1.00 55.24 C ATOM 836 O CYS A 557 12.116 -1.809 5.401 1.00 31.03 O ATOM 837 CB CYS A 557 12.282 -0.347 2.603 1.00 32.43 C ATOM 838 SG CYS A 557 13.981 -0.281 3.229 1.00 44.25 S ATOM 0 H CYS A 557 12.020 0.526 5.301 1.00 70.13 H new ATOM 0 HA CYS A 557 10.242 -0.415 3.152 1.00 61.51 H new ATOM 0 HB2 CYS A 557 12.188 -1.209 1.942 1.00 32.43 H new ATOM 0 HB3 CYS A 557 12.099 0.541 1.997 1.00 32.43 H new ATOM 0 HG CYS A 557 14.197 0.879 3.775 1.00 44.25 H new ATOM 844 N GLY A 558 10.418 -2.638 4.225 1.00 2.51 N ATOM 845 CA GLY A 558 10.393 -3.836 4.983 1.00 54.23 C ATOM 846 C GLY A 558 9.374 -4.760 4.439 1.00 72.53 C ATOM 847 O GLY A 558 8.969 -4.622 3.270 1.00 63.55 O ATOM 0 H GLY A 558 9.719 -2.583 3.484 1.00 2.51 H new ATOM 0 HA2 GLY A 558 11.374 -4.310 4.961 1.00 54.23 H new ATOM 0 HA3 GLY A 558 10.171 -3.611 6.026 1.00 54.23 H new ATOM 851 N GLU A 559 8.915 -5.656 5.261 1.00 31.41 N ATOM 852 CA GLU A 559 7.987 -6.666 4.847 1.00 11.23 C ATOM 853 C GLU A 559 6.862 -6.818 5.857 1.00 64.04 C ATOM 854 O GLU A 559 7.071 -6.692 7.070 1.00 31.14 O ATOM 855 CB GLU A 559 8.719 -7.978 4.712 1.00 32.32 C ATOM 856 CG GLU A 559 9.811 -7.981 3.667 1.00 43.13 C ATOM 857 CD GLU A 559 10.624 -9.228 3.712 1.00 64.24 C ATOM 858 OE1 GLU A 559 11.441 -9.387 4.645 1.00 75.31 O ATOM 859 OE2 GLU A 559 10.481 -10.067 2.824 1.00 63.10 O ATOM 0 H GLU A 559 9.176 -5.707 6.246 1.00 31.41 H new ATOM 0 HA GLU A 559 7.553 -6.373 3.891 1.00 11.23 H new ATOM 0 HB2 GLU A 559 9.156 -8.237 5.677 1.00 32.32 H new ATOM 0 HB3 GLU A 559 7.998 -8.759 4.469 1.00 32.32 H new ATOM 0 HG2 GLU A 559 9.366 -7.874 2.678 1.00 43.13 H new ATOM 0 HG3 GLU A 559 10.461 -7.119 3.819 1.00 43.13 H new ATOM 866 N LEU A 560 5.690 -7.057 5.350 1.00 41.52 N ATOM 867 CA LEU A 560 4.510 -7.288 6.137 1.00 40.01 C ATOM 868 C LEU A 560 4.184 -8.767 6.127 1.00 21.41 C ATOM 869 O LEU A 560 4.305 -9.430 5.091 1.00 53.31 O ATOM 870 CB LEU A 560 3.343 -6.499 5.563 1.00 72.02 C ATOM 871 CG LEU A 560 3.500 -4.980 5.557 1.00 31.03 C ATOM 872 CD1 LEU A 560 2.349 -4.314 4.833 1.00 5.51 C ATOM 873 CD2 LEU A 560 3.625 -4.439 6.979 1.00 54.22 C ATOM 0 H LEU A 560 5.520 -7.098 4.345 1.00 41.52 H new ATOM 0 HA LEU A 560 4.687 -6.961 7.162 1.00 40.01 H new ATOM 0 HB2 LEU A 560 3.175 -6.831 4.539 1.00 72.02 H new ATOM 0 HB3 LEU A 560 2.447 -6.749 6.131 1.00 72.02 H new ATOM 0 HG LEU A 560 4.418 -4.744 5.019 1.00 31.03 H new ATOM 0 HD11 LEU A 560 2.488 -3.233 4.845 1.00 5.51 H new ATOM 0 HD12 LEU A 560 2.317 -4.664 3.801 1.00 5.51 H new ATOM 0 HD13 LEU A 560 1.412 -4.565 5.331 1.00 5.51 H new ATOM 0 HD21 LEU A 560 3.736 -3.355 6.947 1.00 54.22 H new ATOM 0 HD22 LEU A 560 2.730 -4.696 7.546 1.00 54.22 H new ATOM 0 HD23 LEU A 560 4.498 -4.879 7.460 1.00 54.22 H new ATOM 885 N GLU A 561 3.778 -9.267 7.258 1.00 33.13 N ATOM 886 CA GLU A 561 3.485 -10.662 7.442 1.00 42.32 C ATOM 887 C GLU A 561 1.976 -10.892 7.534 1.00 71.43 C ATOM 888 O GLU A 561 1.332 -10.408 8.464 1.00 24.02 O ATOM 889 CB GLU A 561 4.157 -11.118 8.739 1.00 41.03 C ATOM 890 CG GLU A 561 3.900 -12.553 9.145 1.00 22.54 C ATOM 891 CD GLU A 561 4.465 -12.862 10.513 1.00 45.12 C ATOM 892 OE1 GLU A 561 3.832 -12.494 11.533 1.00 54.42 O ATOM 893 OE2 GLU A 561 5.554 -13.464 10.598 1.00 43.51 O ATOM 0 H GLU A 561 3.638 -8.705 8.098 1.00 33.13 H new ATOM 0 HA GLU A 561 3.860 -11.232 6.592 1.00 42.32 H new ATOM 0 HB2 GLU A 561 5.233 -10.976 8.638 1.00 41.03 H new ATOM 0 HB3 GLU A 561 3.824 -10.466 9.547 1.00 41.03 H new ATOM 0 HG2 GLU A 561 2.827 -12.744 9.144 1.00 22.54 H new ATOM 0 HG3 GLU A 561 4.344 -13.223 8.409 1.00 22.54 H new ATOM 900 N PHE A 562 1.419 -11.580 6.563 1.00 0.35 N ATOM 901 CA PHE A 562 0.022 -11.981 6.618 1.00 73.23 C ATOM 902 C PHE A 562 -0.089 -13.465 6.842 1.00 22.13 C ATOM 903 O PHE A 562 0.744 -14.238 6.363 1.00 2.45 O ATOM 904 CB PHE A 562 -0.749 -11.648 5.346 1.00 75.23 C ATOM 905 CG PHE A 562 -1.205 -10.236 5.216 1.00 61.14 C ATOM 906 CD1 PHE A 562 -2.221 -9.749 6.030 1.00 63.21 C ATOM 907 CD2 PHE A 562 -0.660 -9.406 4.261 1.00 12.51 C ATOM 908 CE1 PHE A 562 -2.669 -8.455 5.882 1.00 75.13 C ATOM 909 CE2 PHE A 562 -1.112 -8.114 4.106 1.00 53.32 C ATOM 910 CZ PHE A 562 -2.118 -7.640 4.914 1.00 23.24 C ATOM 0 H PHE A 562 1.910 -11.877 5.720 1.00 0.35 H new ATOM 0 HA PHE A 562 -0.413 -11.419 7.444 1.00 73.23 H new ATOM 0 HB2 PHE A 562 -0.120 -11.887 4.489 1.00 75.23 H new ATOM 0 HB3 PHE A 562 -1.622 -12.298 5.292 1.00 75.23 H new ATOM 0 HD1 PHE A 562 -2.661 -10.388 6.782 1.00 63.21 H new ATOM 0 HD2 PHE A 562 0.132 -9.773 3.625 1.00 12.51 H new ATOM 0 HE1 PHE A 562 -3.452 -8.078 6.524 1.00 75.13 H new ATOM 0 HE2 PHE A 562 -0.677 -7.475 3.352 1.00 53.32 H new ATOM 0 HZ PHE A 562 -2.478 -6.629 4.791 1.00 23.24 H new ATOM 920 N GLN A 563 -1.090 -13.860 7.568 1.00 71.44 N ATOM 921 CA GLN A 563 -1.388 -15.258 7.791 1.00 11.23 C ATOM 922 C GLN A 563 -2.865 -15.410 7.524 1.00 30.11 C ATOM 923 O GLN A 563 -3.547 -14.412 7.274 1.00 44.32 O ATOM 924 CB GLN A 563 -1.106 -15.644 9.249 1.00 42.53 C ATOM 925 CG GLN A 563 0.267 -15.229 9.751 1.00 42.54 C ATOM 926 CD GLN A 563 1.333 -16.292 9.631 1.00 24.12 C ATOM 927 OE1 GLN A 563 2.288 -16.302 10.405 1.00 33.33 O ATOM 928 NE2 GLN A 563 1.172 -17.208 8.730 1.00 61.41 N ATOM 0 H GLN A 563 -1.735 -13.220 8.031 1.00 71.44 H new ATOM 0 HA GLN A 563 -0.778 -15.894 7.150 1.00 11.23 H new ATOM 0 HB2 GLN A 563 -1.865 -15.191 9.886 1.00 42.53 H new ATOM 0 HB3 GLN A 563 -1.207 -16.724 9.353 1.00 42.53 H new ATOM 0 HG2 GLN A 563 0.589 -14.347 9.198 1.00 42.54 H new ATOM 0 HG3 GLN A 563 0.182 -14.936 10.797 1.00 42.54 H new ATOM 0 HE21 GLN A 563 0.368 -17.171 8.103 1.00 61.41 H new ATOM 0 HE22 GLN A 563 1.849 -17.967 8.647 1.00 61.41 H new ATOM 937 N ASN A 564 -3.374 -16.603 7.606 1.00 21.45 N ATOM 938 CA ASN A 564 -4.791 -16.816 7.394 1.00 50.24 C ATOM 939 C ASN A 564 -5.579 -16.358 8.626 1.00 24.11 C ATOM 940 O ASN A 564 -6.695 -15.881 8.518 1.00 35.41 O ATOM 941 CB ASN A 564 -5.110 -18.293 7.043 1.00 33.12 C ATOM 942 CG ASN A 564 -4.898 -19.289 8.184 1.00 14.22 C ATOM 943 OD1 ASN A 564 -4.030 -19.114 9.041 1.00 4.44 O ATOM 944 ND2 ASN A 564 -5.695 -20.330 8.209 1.00 25.35 N ATOM 0 H ASN A 564 -2.840 -17.446 7.817 1.00 21.45 H new ATOM 0 HA ASN A 564 -5.097 -16.217 6.537 1.00 50.24 H new ATOM 0 HB2 ASN A 564 -6.147 -18.357 6.713 1.00 33.12 H new ATOM 0 HB3 ASN A 564 -4.488 -18.593 6.199 1.00 33.12 H new ATOM 0 HD21 ASN A 564 -5.606 -21.023 8.952 1.00 25.35 H new ATOM 0 HD22 ASN A 564 -6.404 -20.447 7.485 1.00 25.35 H new ATOM 951 N ASP A 565 -4.963 -16.463 9.780 1.00 11.04 N ATOM 952 CA ASP A 565 -5.603 -16.076 11.046 1.00 54.03 C ATOM 953 C ASP A 565 -5.252 -14.629 11.420 1.00 43.11 C ATOM 954 O ASP A 565 -5.987 -13.962 12.136 1.00 62.22 O ATOM 955 CB ASP A 565 -5.156 -17.036 12.154 1.00 51.22 C ATOM 956 CG ASP A 565 -5.860 -16.813 13.480 1.00 42.11 C ATOM 957 OD1 ASP A 565 -6.975 -17.349 13.670 1.00 43.30 O ATOM 958 OD2 ASP A 565 -5.288 -16.156 14.379 1.00 40.50 O ATOM 0 H ASP A 565 -4.011 -16.815 9.883 1.00 11.04 H new ATOM 0 HA ASP A 565 -6.685 -16.136 10.926 1.00 54.03 H new ATOM 0 HB2 ASP A 565 -5.333 -18.061 11.827 1.00 51.22 H new ATOM 0 HB3 ASP A 565 -4.081 -16.930 12.302 1.00 51.22 H new ATOM 963 N GLU A 566 -4.147 -14.153 10.885 1.00 31.31 N ATOM 964 CA GLU A 566 -3.632 -12.814 11.168 1.00 74.45 C ATOM 965 C GLU A 566 -4.355 -11.850 10.231 1.00 55.23 C ATOM 966 O GLU A 566 -4.278 -12.004 8.998 1.00 21.11 O ATOM 967 CB GLU A 566 -2.134 -12.828 10.863 1.00 73.44 C ATOM 968 CG GLU A 566 -1.228 -11.911 11.659 1.00 12.45 C ATOM 969 CD GLU A 566 -1.534 -10.462 11.579 1.00 72.30 C ATOM 970 OE1 GLU A 566 -1.561 -9.920 10.488 1.00 31.34 O ATOM 971 OE2 GLU A 566 -1.654 -9.813 12.645 1.00 12.02 O ATOM 0 H GLU A 566 -3.569 -14.684 10.234 1.00 31.31 H new ATOM 0 HA GLU A 566 -3.790 -12.512 12.203 1.00 74.45 H new ATOM 0 HB2 GLU A 566 -1.777 -13.849 11.000 1.00 73.44 H new ATOM 0 HB3 GLU A 566 -2.008 -12.585 9.808 1.00 73.44 H new ATOM 0 HG2 GLU A 566 -1.268 -12.213 12.706 1.00 12.45 H new ATOM 0 HG3 GLU A 566 -0.203 -12.064 11.322 1.00 12.45 H new ATOM 978 N ILE A 567 -5.071 -10.899 10.783 1.00 35.40 N ATOM 979 CA ILE A 567 -5.860 -10.012 9.973 1.00 25.23 C ATOM 980 C ILE A 567 -5.264 -8.641 9.941 1.00 24.41 C ATOM 981 O ILE A 567 -4.506 -8.274 10.848 1.00 74.44 O ATOM 982 CB ILE A 567 -7.311 -9.870 10.455 1.00 20.32 C ATOM 983 CG1 ILE A 567 -7.364 -9.197 11.822 1.00 62.23 C ATOM 984 CG2 ILE A 567 -7.970 -11.228 10.512 1.00 21.34 C ATOM 985 CD1 ILE A 567 -8.610 -8.406 12.016 1.00 52.13 C ATOM 0 H ILE A 567 -5.121 -10.723 11.786 1.00 35.40 H new ATOM 0 HA ILE A 567 -5.863 -10.466 8.982 1.00 25.23 H new ATOM 0 HB ILE A 567 -7.852 -9.242 9.747 1.00 20.32 H new ATOM 0 HG12 ILE A 567 -7.294 -9.956 12.601 1.00 62.23 H new ATOM 0 HG13 ILE A 567 -6.500 -8.543 11.936 1.00 62.23 H new ATOM 0 HG21 ILE A 567 -8.999 -11.119 10.855 1.00 21.34 H new ATOM 0 HG22 ILE A 567 -7.964 -11.677 9.519 1.00 21.34 H new ATOM 0 HG23 ILE A 567 -7.423 -11.869 11.204 1.00 21.34 H new ATOM 0 HD11 ILE A 567 -8.599 -7.947 13.005 1.00 52.13 H new ATOM 0 HD12 ILE A 567 -8.669 -7.628 11.255 1.00 52.13 H new ATOM 0 HD13 ILE A 567 -9.475 -9.063 11.931 1.00 52.13 H new ATOM 997 N VAL A 568 -5.694 -7.870 8.942 1.00 4.41 N ATOM 998 CA VAL A 568 -5.269 -6.494 8.658 1.00 71.45 C ATOM 999 C VAL A 568 -3.726 -6.312 8.681 1.00 14.24 C ATOM 1000 O VAL A 568 -2.965 -7.240 8.959 1.00 34.31 O ATOM 1001 CB VAL A 568 -6.007 -5.460 9.591 1.00 55.33 C ATOM 1002 CG1 VAL A 568 -5.381 -5.315 10.979 1.00 72.34 C ATOM 1003 CG2 VAL A 568 -6.226 -4.116 8.909 1.00 23.52 C ATOM 0 H VAL A 568 -6.386 -8.204 8.271 1.00 4.41 H new ATOM 0 HA VAL A 568 -5.571 -6.283 7.632 1.00 71.45 H new ATOM 0 HB VAL A 568 -6.992 -5.891 9.769 1.00 55.33 H new ATOM 0 HG11 VAL A 568 -5.947 -4.586 11.559 1.00 72.34 H new ATOM 0 HG12 VAL A 568 -5.400 -6.278 11.489 1.00 72.34 H new ATOM 0 HG13 VAL A 568 -4.349 -4.978 10.879 1.00 72.34 H new ATOM 0 HG21 VAL A 568 -6.738 -3.440 9.594 1.00 23.52 H new ATOM 0 HG22 VAL A 568 -5.263 -3.689 8.629 1.00 23.52 H new ATOM 0 HG23 VAL A 568 -6.834 -4.256 8.015 1.00 23.52 H new ATOM 1013 N LYS A 569 -3.263 -5.159 8.338 1.00 13.24 N ATOM 1014 CA LYS A 569 -1.870 -4.899 8.417 1.00 32.11 C ATOM 1015 C LYS A 569 -1.684 -3.433 8.537 1.00 2.13 C ATOM 1016 O LYS A 569 -2.582 -2.664 8.173 1.00 25.32 O ATOM 1017 CB LYS A 569 -1.158 -5.426 7.181 1.00 11.44 C ATOM 1018 CG LYS A 569 0.296 -5.845 7.356 1.00 64.43 C ATOM 1019 CD LYS A 569 0.496 -7.189 8.089 1.00 20.33 C ATOM 1020 CE LYS A 569 0.236 -7.130 9.583 1.00 22.11 C ATOM 1021 NZ LYS A 569 0.546 -8.401 10.225 1.00 2.25 N ATOM 0 H LYS A 569 -3.831 -4.382 8.000 1.00 13.24 H new ATOM 0 HA LYS A 569 -1.443 -5.404 9.284 1.00 32.11 H new ATOM 0 HB2 LYS A 569 -1.717 -6.284 6.806 1.00 11.44 H new ATOM 0 HB3 LYS A 569 -1.200 -4.657 6.410 1.00 11.44 H new ATOM 0 HG2 LYS A 569 0.762 -5.910 6.373 1.00 64.43 H new ATOM 0 HG3 LYS A 569 0.821 -5.065 7.907 1.00 64.43 H new ATOM 0 HD2 LYS A 569 -0.166 -7.933 7.646 1.00 20.33 H new ATOM 0 HD3 LYS A 569 1.517 -7.532 7.923 1.00 20.33 H new ATOM 0 HE2 LYS A 569 0.839 -6.339 10.028 1.00 22.11 H new ATOM 0 HE3 LYS A 569 -0.808 -6.874 9.763 1.00 22.11 H new ATOM 0 HZ1 LYS A 569 1.130 -8.230 11.069 1.00 2.25 H new ATOM 0 HZ2 LYS A 569 -0.337 -8.873 10.505 1.00 2.25 H new ATOM 0 HZ3 LYS A 569 1.067 -9.008 9.560 1.00 2.25 H new ATOM 1035 N THR A 570 -0.572 -3.045 9.070 1.00 63.02 N ATOM 1036 CA THR A 570 -0.258 -1.679 9.239 1.00 53.02 C ATOM 1037 C THR A 570 1.154 -1.397 8.797 1.00 3.52 C ATOM 1038 O THR A 570 2.075 -2.156 9.114 1.00 61.32 O ATOM 1039 CB THR A 570 -0.427 -1.260 10.710 1.00 42.23 C ATOM 1040 OG1 THR A 570 0.089 -2.298 11.569 1.00 22.51 O ATOM 1041 CG2 THR A 570 -1.879 -0.959 11.050 1.00 4.21 C ATOM 0 H THR A 570 0.150 -3.684 9.403 1.00 63.02 H new ATOM 0 HA THR A 570 -0.946 -1.101 8.622 1.00 53.02 H new ATOM 0 HB THR A 570 0.137 -0.341 10.869 1.00 42.23 H new ATOM 0 HG1 THR A 570 -0.017 -2.030 12.506 1.00 22.51 H new ATOM 0 HG21 THR A 570 -1.954 -0.667 12.097 1.00 4.21 H new ATOM 0 HG22 THR A 570 -2.239 -0.146 10.420 1.00 4.21 H new ATOM 0 HG23 THR A 570 -2.485 -1.848 10.877 1.00 4.21 H new ATOM 1049 N ILE A 571 1.322 -0.376 8.008 1.00 1.12 N ATOM 1050 CA ILE A 571 2.645 0.092 7.703 1.00 23.20 C ATOM 1051 C ILE A 571 2.979 1.140 8.725 1.00 31.22 C ATOM 1052 O ILE A 571 2.307 2.166 8.792 1.00 33.22 O ATOM 1053 CB ILE A 571 2.830 0.708 6.265 1.00 3.14 C ATOM 1054 CG1 ILE A 571 2.698 -0.330 5.146 1.00 4.42 C ATOM 1055 CG2 ILE A 571 4.175 1.389 6.148 1.00 20.42 C ATOM 1056 CD1 ILE A 571 1.316 -0.826 4.915 1.00 72.20 C ATOM 0 H ILE A 571 0.566 0.147 7.566 1.00 1.12 H new ATOM 0 HA ILE A 571 3.305 -0.775 7.725 1.00 23.20 H new ATOM 0 HB ILE A 571 2.026 1.433 6.142 1.00 3.14 H new ATOM 0 HG12 ILE A 571 3.072 0.106 4.220 1.00 4.42 H new ATOM 0 HG13 ILE A 571 3.339 -1.180 5.380 1.00 4.42 H new ATOM 0 HG21 ILE A 571 4.285 1.808 5.148 1.00 20.42 H new ATOM 0 HG22 ILE A 571 4.244 2.188 6.886 1.00 20.42 H new ATOM 0 HG23 ILE A 571 4.968 0.662 6.326 1.00 20.42 H new ATOM 0 HD11 ILE A 571 1.322 -1.556 4.105 1.00 72.20 H new ATOM 0 HD12 ILE A 571 0.941 -1.296 5.824 1.00 72.20 H new ATOM 0 HD13 ILE A 571 0.670 0.009 4.646 1.00 72.20 H new ATOM 1068 N SER A 572 3.927 0.851 9.550 1.00 45.32 N ATOM 1069 CA SER A 572 4.386 1.766 10.534 1.00 41.33 C ATOM 1070 C SER A 572 5.583 2.550 9.996 1.00 35.10 C ATOM 1071 O SER A 572 6.591 1.967 9.584 1.00 20.32 O ATOM 1072 CB SER A 572 4.720 0.971 11.790 1.00 21.33 C ATOM 1073 OG SER A 572 5.312 -0.277 11.432 1.00 52.24 O ATOM 0 H SER A 572 4.413 -0.046 9.558 1.00 45.32 H new ATOM 0 HA SER A 572 3.621 2.502 10.782 1.00 41.33 H new ATOM 0 HB2 SER A 572 5.404 1.540 12.420 1.00 21.33 H new ATOM 0 HB3 SER A 572 3.816 0.800 12.374 1.00 21.33 H new ATOM 0 HG SER A 572 5.526 -0.782 12.244 1.00 52.24 H new ATOM 1079 N VAL A 573 5.442 3.851 9.937 1.00 51.21 N ATOM 1080 CA VAL A 573 6.499 4.718 9.437 1.00 24.51 C ATOM 1081 C VAL A 573 6.833 5.728 10.501 1.00 5.12 C ATOM 1082 O VAL A 573 5.917 6.277 11.142 1.00 54.43 O ATOM 1083 CB VAL A 573 6.069 5.501 8.153 1.00 15.11 C ATOM 1084 CG1 VAL A 573 7.212 6.359 7.607 1.00 55.44 C ATOM 1085 CG2 VAL A 573 5.547 4.569 7.078 1.00 34.35 C ATOM 0 H VAL A 573 4.599 4.344 10.231 1.00 51.21 H new ATOM 0 HA VAL A 573 7.352 4.087 9.186 1.00 24.51 H new ATOM 0 HB VAL A 573 5.257 6.166 8.447 1.00 15.11 H new ATOM 0 HG11 VAL A 573 6.876 6.888 6.715 1.00 55.44 H new ATOM 0 HG12 VAL A 573 7.518 7.081 8.364 1.00 55.44 H new ATOM 0 HG13 VAL A 573 8.057 5.720 7.353 1.00 55.44 H new ATOM 0 HG21 VAL A 573 5.258 5.150 6.202 1.00 34.35 H new ATOM 0 HG22 VAL A 573 6.327 3.859 6.802 1.00 34.35 H new ATOM 0 HG23 VAL A 573 4.680 4.027 7.456 1.00 34.35 H new ATOM 1095 N LYS A 574 8.106 5.951 10.718 1.00 71.51 N ATOM 1096 CA LYS A 574 8.535 6.958 11.634 1.00 63.54 C ATOM 1097 C LYS A 574 8.785 8.261 10.889 1.00 54.43 C ATOM 1098 O LYS A 574 9.550 8.311 9.909 1.00 13.33 O ATOM 1099 CB LYS A 574 9.793 6.527 12.391 1.00 32.14 C ATOM 1100 CG LYS A 574 10.338 7.603 13.327 1.00 42.24 C ATOM 1101 CD LYS A 574 11.641 7.191 13.985 1.00 3.15 C ATOM 1102 CE LYS A 574 11.477 6.009 14.925 1.00 61.34 C ATOM 1103 NZ LYS A 574 12.744 5.688 15.612 1.00 33.11 N ATOM 0 H LYS A 574 8.863 5.439 10.264 1.00 71.51 H new ATOM 0 HA LYS A 574 7.744 7.109 12.368 1.00 63.54 H new ATOM 0 HB2 LYS A 574 9.570 5.631 12.971 1.00 32.14 H new ATOM 0 HB3 LYS A 574 10.566 6.257 11.672 1.00 32.14 H new ATOM 0 HG2 LYS A 574 10.493 8.524 12.766 1.00 42.24 H new ATOM 0 HG3 LYS A 574 9.598 7.820 14.097 1.00 42.24 H new ATOM 0 HD2 LYS A 574 12.368 6.938 13.214 1.00 3.15 H new ATOM 0 HD3 LYS A 574 12.046 8.037 14.540 1.00 3.15 H new ATOM 0 HE2 LYS A 574 10.707 6.233 15.664 1.00 61.34 H new ATOM 0 HE3 LYS A 574 11.136 5.140 14.363 1.00 61.34 H new ATOM 0 HZ1 LYS A 574 12.599 4.877 16.246 1.00 33.11 H new ATOM 0 HZ2 LYS A 574 13.471 5.451 14.907 1.00 33.11 H new ATOM 0 HZ3 LYS A 574 13.056 6.510 16.167 1.00 33.11 H new ATOM 1117 N VAL A 575 8.126 9.285 11.324 1.00 41.03 N ATOM 1118 CA VAL A 575 8.312 10.601 10.776 1.00 21.20 C ATOM 1119 C VAL A 575 9.427 11.258 11.580 1.00 11.21 C ATOM 1120 O VAL A 575 9.534 11.021 12.783 1.00 25.51 O ATOM 1121 CB VAL A 575 6.994 11.430 10.872 1.00 51.03 C ATOM 1122 CG1 VAL A 575 7.160 12.822 10.264 1.00 54.51 C ATOM 1123 CG2 VAL A 575 5.854 10.689 10.179 1.00 31.11 C ATOM 0 H VAL A 575 7.437 9.238 12.075 1.00 41.03 H new ATOM 0 HA VAL A 575 8.576 10.550 9.720 1.00 21.20 H new ATOM 0 HB VAL A 575 6.755 11.553 11.928 1.00 51.03 H new ATOM 0 HG11 VAL A 575 6.222 13.370 10.349 1.00 54.51 H new ATOM 0 HG12 VAL A 575 7.944 13.360 10.796 1.00 54.51 H new ATOM 0 HG13 VAL A 575 7.432 12.730 9.213 1.00 54.51 H new ATOM 0 HG21 VAL A 575 4.940 11.278 10.253 1.00 31.11 H new ATOM 0 HG22 VAL A 575 6.104 10.537 9.129 1.00 31.11 H new ATOM 0 HG23 VAL A 575 5.703 9.722 10.660 1.00 31.11 H new ATOM 1133 N ILE A 576 10.278 12.010 10.939 1.00 21.25 N ATOM 1134 CA ILE A 576 11.381 12.636 11.628 1.00 32.41 C ATOM 1135 C ILE A 576 11.059 14.116 11.766 1.00 53.31 C ATOM 1136 O ILE A 576 10.186 14.623 11.054 1.00 45.54 O ATOM 1137 CB ILE A 576 12.724 12.444 10.842 1.00 41.22 C ATOM 1138 CG1 ILE A 576 12.935 10.971 10.462 1.00 52.43 C ATOM 1139 CG2 ILE A 576 13.915 12.926 11.657 1.00 23.22 C ATOM 1140 CD1 ILE A 576 13.002 10.018 11.629 1.00 63.12 C ATOM 0 H ILE A 576 10.232 12.207 9.939 1.00 21.25 H new ATOM 0 HA ILE A 576 11.513 12.176 12.607 1.00 32.41 H new ATOM 0 HB ILE A 576 12.651 13.042 9.934 1.00 41.22 H new ATOM 0 HG12 ILE A 576 12.123 10.661 9.804 1.00 52.43 H new ATOM 0 HG13 ILE A 576 13.859 10.887 9.890 1.00 52.43 H new ATOM 0 HG21 ILE A 576 14.831 12.779 11.085 1.00 23.22 H new ATOM 0 HG22 ILE A 576 13.795 13.985 11.885 1.00 23.22 H new ATOM 0 HG23 ILE A 576 13.973 12.359 12.586 1.00 23.22 H new ATOM 0 HD11 ILE A 576 13.153 9.003 11.262 1.00 63.12 H new ATOM 0 HD12 ILE A 576 13.832 10.296 12.278 1.00 63.12 H new ATOM 0 HD13 ILE A 576 12.070 10.066 12.192 1.00 63.12 H new ATOM 1152 N ASP A 577 11.679 14.786 12.712 1.00 21.12 N ATOM 1153 CA ASP A 577 11.464 16.221 12.880 1.00 65.12 C ATOM 1154 C ASP A 577 12.038 16.927 11.680 1.00 2.14 C ATOM 1155 O ASP A 577 13.126 16.576 11.221 1.00 11.10 O ATOM 1156 CB ASP A 577 12.097 16.750 14.171 1.00 24.45 C ATOM 1157 CG ASP A 577 11.480 16.161 15.414 1.00 72.34 C ATOM 1158 OD1 ASP A 577 10.492 16.734 15.950 1.00 42.23 O ATOM 1159 OD2 ASP A 577 11.959 15.108 15.886 1.00 74.21 O ATOM 0 H ASP A 577 12.333 14.372 13.376 1.00 21.12 H new ATOM 0 HA ASP A 577 10.394 16.412 12.959 1.00 65.12 H new ATOM 0 HB2 ASP A 577 13.164 16.530 14.163 1.00 24.45 H new ATOM 0 HB3 ASP A 577 11.996 17.835 14.201 1.00 24.45 H new ATOM 1164 N ASP A 578 11.327 17.899 11.171 1.00 22.44 N ATOM 1165 CA ASP A 578 11.714 18.545 9.921 1.00 62.14 C ATOM 1166 C ASP A 578 12.969 19.387 10.072 1.00 3.30 C ATOM 1167 O ASP A 578 13.330 19.795 11.179 1.00 3.11 O ATOM 1168 CB ASP A 578 10.589 19.368 9.347 1.00 63.13 C ATOM 1169 CG ASP A 578 10.311 19.016 7.907 1.00 51.35 C ATOM 1170 OD1 ASP A 578 11.284 18.626 7.157 1.00 13.04 O ATOM 1171 OD2 ASP A 578 9.125 19.078 7.494 1.00 2.31 O ATOM 0 H ASP A 578 10.476 18.268 11.594 1.00 22.44 H new ATOM 0 HA ASP A 578 11.940 17.742 9.219 1.00 62.14 H new ATOM 0 HB2 ASP A 578 9.687 19.213 9.939 1.00 63.13 H new ATOM 0 HB3 ASP A 578 10.840 20.426 9.420 1.00 63.13 H new ATOM 1176 N GLU A 579 13.626 19.647 8.961 1.00 31.12 N ATOM 1177 CA GLU A 579 14.929 20.303 8.959 1.00 42.43 C ATOM 1178 C GLU A 579 15.149 21.389 7.864 1.00 43.43 C ATOM 1179 O GLU A 579 16.115 22.165 7.950 1.00 51.03 O ATOM 1180 CB GLU A 579 16.064 19.239 8.935 1.00 41.35 C ATOM 1181 CG GLU A 579 15.707 17.868 8.295 1.00 40.44 C ATOM 1182 CD GLU A 579 15.212 17.929 6.864 1.00 41.53 C ATOM 1183 OE1 GLU A 579 13.956 18.071 6.647 1.00 0.52 O ATOM 1184 OE2 GLU A 579 16.023 17.819 5.936 1.00 72.34 O ATOM 0 H GLU A 579 13.277 19.412 8.032 1.00 31.12 H new ATOM 0 HA GLU A 579 14.958 20.870 9.890 1.00 42.43 H new ATOM 0 HB2 GLU A 579 16.914 19.657 8.396 1.00 41.35 H new ATOM 0 HB3 GLU A 579 16.391 19.064 9.960 1.00 41.35 H new ATOM 0 HG2 GLU A 579 16.589 17.229 8.330 1.00 40.44 H new ATOM 0 HG3 GLU A 579 14.942 17.389 8.906 1.00 40.44 H new ATOM 1191 N GLU A 580 14.289 21.479 6.871 1.00 72.41 N ATOM 1192 CA GLU A 580 14.502 22.450 5.791 1.00 73.12 C ATOM 1193 C GLU A 580 13.257 23.314 5.608 1.00 54.10 C ATOM 1194 O GLU A 580 12.345 23.277 6.451 1.00 23.34 O ATOM 1195 CB GLU A 580 14.875 21.738 4.447 1.00 1.24 C ATOM 1196 CG GLU A 580 13.721 21.023 3.688 1.00 41.41 C ATOM 1197 CD GLU A 580 13.091 19.880 4.432 1.00 51.45 C ATOM 1198 OE1 GLU A 580 12.474 20.052 5.441 1.00 70.42 O ATOM 1199 OE2 GLU A 580 13.198 18.718 4.057 1.00 63.30 O ATOM 0 H GLU A 580 13.448 20.909 6.779 1.00 72.41 H new ATOM 0 HA GLU A 580 15.340 23.088 6.072 1.00 73.12 H new ATOM 0 HB2 GLU A 580 15.312 22.480 3.779 1.00 1.24 H new ATOM 0 HB3 GLU A 580 15.651 21.002 4.657 1.00 1.24 H new ATOM 0 HG2 GLU A 580 12.949 21.756 3.455 1.00 41.41 H new ATOM 0 HG3 GLU A 580 14.105 20.652 2.738 1.00 41.41 H new ATOM 1206 N TYR A 581 13.240 24.117 4.537 1.00 0.34 N ATOM 1207 CA TYR A 581 12.075 24.914 4.178 1.00 44.54 C ATOM 1208 C TYR A 581 10.942 23.961 3.843 1.00 43.23 C ATOM 1209 O TYR A 581 11.180 22.841 3.386 1.00 3.03 O ATOM 1210 CB TYR A 581 12.364 25.836 2.963 1.00 21.33 C ATOM 1211 CG TYR A 581 12.589 25.110 1.639 1.00 43.44 C ATOM 1212 CD1 TYR A 581 11.512 24.777 0.819 1.00 53.34 C ATOM 1213 CD2 TYR A 581 13.861 24.750 1.220 1.00 4.12 C ATOM 1214 CE1 TYR A 581 11.693 24.108 -0.367 1.00 15.41 C ATOM 1215 CE2 TYR A 581 14.053 24.082 0.027 1.00 73.54 C ATOM 1216 CZ TYR A 581 12.968 23.760 -0.761 1.00 30.10 C ATOM 1217 OH TYR A 581 13.165 23.084 -1.954 1.00 62.44 O ATOM 0 H TYR A 581 14.031 24.228 3.903 1.00 0.34 H new ATOM 0 HA TYR A 581 11.810 25.558 5.017 1.00 44.54 H new ATOM 0 HB2 TYR A 581 11.529 26.526 2.844 1.00 21.33 H new ATOM 0 HB3 TYR A 581 13.246 26.437 3.184 1.00 21.33 H new ATOM 0 HD1 TYR A 581 10.513 25.051 1.123 1.00 53.34 H new ATOM 0 HD2 TYR A 581 14.714 24.996 1.836 1.00 4.12 H new ATOM 0 HE1 TYR A 581 10.844 23.857 -0.986 1.00 15.41 H new ATOM 0 HE2 TYR A 581 15.050 23.812 -0.288 1.00 73.54 H new ATOM 0 HH TYR A 581 14.122 22.917 -2.081 1.00 62.44 H new ATOM 1227 N GLU A 582 9.737 24.377 4.025 1.00 72.15 N ATOM 1228 CA GLU A 582 8.663 23.469 3.832 1.00 72.44 C ATOM 1229 C GLU A 582 7.685 23.896 2.790 1.00 60.33 C ATOM 1230 O GLU A 582 7.240 25.051 2.740 1.00 3.34 O ATOM 1231 CB GLU A 582 7.988 23.148 5.127 1.00 22.42 C ATOM 1232 CG GLU A 582 8.906 22.436 6.088 1.00 61.05 C ATOM 1233 CD GLU A 582 8.226 22.066 7.328 1.00 54.43 C ATOM 1234 OE1 GLU A 582 7.065 21.739 7.339 1.00 11.25 O ATOM 1235 OE2 GLU A 582 8.801 22.036 8.414 1.00 71.14 O ATOM 0 H GLU A 582 9.474 25.323 4.302 1.00 72.15 H new ATOM 0 HA GLU A 582 9.113 22.556 3.442 1.00 72.44 H new ATOM 0 HB2 GLU A 582 7.629 24.069 5.586 1.00 22.42 H new ATOM 0 HB3 GLU A 582 7.114 22.526 4.934 1.00 22.42 H new ATOM 0 HG2 GLU A 582 9.303 21.540 5.612 1.00 61.05 H new ATOM 0 HG3 GLU A 582 9.756 23.078 6.319 1.00 61.05 H new ATOM 1242 N LYS A 583 7.378 22.951 1.957 1.00 34.03 N ATOM 1243 CA LYS A 583 6.419 23.063 0.903 1.00 10.32 C ATOM 1244 C LYS A 583 5.501 21.860 1.057 1.00 53.44 C ATOM 1245 O LYS A 583 5.511 21.230 2.122 1.00 63.24 O ATOM 1246 CB LYS A 583 7.129 23.020 -0.469 1.00 2.10 C ATOM 1247 CG LYS A 583 8.110 24.164 -0.720 1.00 54.03 C ATOM 1248 CD LYS A 583 7.438 25.527 -0.596 1.00 33.20 C ATOM 1249 CE LYS A 583 8.434 26.655 -0.795 1.00 73.33 C ATOM 1250 NZ LYS A 583 7.837 27.983 -0.531 1.00 2.21 N ATOM 0 H LYS A 583 7.814 22.030 1.997 1.00 34.03 H new ATOM 0 HA LYS A 583 5.868 24.002 0.954 1.00 10.32 H new ATOM 0 HB2 LYS A 583 7.665 22.075 -0.555 1.00 2.10 H new ATOM 0 HB3 LYS A 583 6.373 23.030 -1.254 1.00 2.10 H new ATOM 0 HG2 LYS A 583 8.933 24.099 -0.008 1.00 54.03 H new ATOM 0 HG3 LYS A 583 8.541 24.061 -1.716 1.00 54.03 H new ATOM 0 HD2 LYS A 583 6.640 25.610 -1.334 1.00 33.20 H new ATOM 0 HD3 LYS A 583 6.974 25.618 0.386 1.00 33.20 H new ATOM 0 HE2 LYS A 583 9.287 26.504 -0.134 1.00 73.33 H new ATOM 0 HE3 LYS A 583 8.813 26.626 -1.816 1.00 73.33 H new ATOM 0 HZ1 LYS A 583 8.554 28.722 -0.680 1.00 2.21 H new ATOM 0 HZ2 LYS A 583 7.039 28.140 -1.179 1.00 2.21 H new ATOM 0 HZ3 LYS A 583 7.498 28.022 0.451 1.00 2.21 H new ATOM 1264 N ASN A 584 4.697 21.553 0.061 1.00 45.12 N ATOM 1265 CA ASN A 584 3.910 20.316 0.087 1.00 75.34 C ATOM 1266 C ASN A 584 4.900 19.162 0.031 1.00 32.24 C ATOM 1267 O ASN A 584 5.520 18.911 -1.008 1.00 63.14 O ATOM 1268 CB ASN A 584 2.933 20.237 -1.115 1.00 2.10 C ATOM 1269 CG ASN A 584 1.972 19.029 -1.071 1.00 23.55 C ATOM 1270 OD1 ASN A 584 2.264 17.983 -0.496 1.00 34.25 O ATOM 1271 ND2 ASN A 584 0.826 19.166 -1.700 1.00 21.12 N ATOM 0 H ASN A 584 4.565 22.128 -0.771 1.00 45.12 H new ATOM 0 HA ASN A 584 3.302 20.279 0.991 1.00 75.34 H new ATOM 0 HB2 ASN A 584 2.345 21.154 -1.152 1.00 2.10 H new ATOM 0 HB3 ASN A 584 3.512 20.193 -2.037 1.00 2.10 H new ATOM 0 HD21 ASN A 584 0.158 18.395 -1.717 1.00 21.12 H new ATOM 0 HD22 ASN A 584 0.604 20.043 -2.171 1.00 21.12 H new ATOM 1278 N LYS A 585 5.103 18.511 1.145 1.00 32.43 N ATOM 1279 CA LYS A 585 6.060 17.489 1.238 1.00 41.03 C ATOM 1280 C LYS A 585 5.338 16.216 1.511 1.00 12.43 C ATOM 1281 O LYS A 585 4.621 16.085 2.507 1.00 74.14 O ATOM 1282 CB LYS A 585 7.157 17.880 2.284 1.00 75.31 C ATOM 1283 CG LYS A 585 8.225 16.836 2.639 1.00 42.24 C ATOM 1284 CD LYS A 585 7.735 15.806 3.655 1.00 74.25 C ATOM 1285 CE LYS A 585 7.357 16.447 5.005 1.00 52.44 C ATOM 1286 NZ LYS A 585 8.493 17.184 5.626 1.00 2.14 N ATOM 0 H LYS A 585 4.594 18.691 2.010 1.00 32.43 H new ATOM 0 HA LYS A 585 6.611 17.343 0.309 1.00 41.03 H new ATOM 0 HB2 LYS A 585 7.669 18.768 1.913 1.00 75.31 H new ATOM 0 HB3 LYS A 585 6.651 18.166 3.206 1.00 75.31 H new ATOM 0 HG2 LYS A 585 8.539 16.322 1.731 1.00 42.24 H new ATOM 0 HG3 LYS A 585 9.103 17.343 3.038 1.00 42.24 H new ATOM 0 HD2 LYS A 585 6.869 15.283 3.249 1.00 74.25 H new ATOM 0 HD3 LYS A 585 8.513 15.059 3.815 1.00 74.25 H new ATOM 0 HE2 LYS A 585 6.522 17.132 4.857 1.00 52.44 H new ATOM 0 HE3 LYS A 585 7.015 15.670 5.689 1.00 52.44 H new ATOM 0 HZ1 LYS A 585 8.182 17.610 6.522 1.00 2.14 H new ATOM 0 HZ2 LYS A 585 9.276 16.524 5.809 1.00 2.14 H new ATOM 0 HZ3 LYS A 585 8.815 17.933 4.980 1.00 2.14 H new ATOM 1300 N THR A 586 5.466 15.322 0.601 1.00 24.31 N ATOM 1301 CA THR A 586 4.791 14.092 0.658 1.00 63.05 C ATOM 1302 C THR A 586 5.676 12.996 0.143 1.00 45.22 C ATOM 1303 O THR A 586 6.569 13.227 -0.700 1.00 61.11 O ATOM 1304 CB THR A 586 3.410 14.166 -0.110 1.00 62.02 C ATOM 1305 OG1 THR A 586 2.784 12.890 -0.198 1.00 51.32 O ATOM 1306 CG2 THR A 586 3.539 14.756 -1.500 1.00 45.43 C ATOM 0 H THR A 586 6.059 15.434 -0.221 1.00 24.31 H new ATOM 0 HA THR A 586 4.555 13.863 1.697 1.00 63.05 H new ATOM 0 HB THR A 586 2.785 14.833 0.484 1.00 62.02 H new ATOM 0 HG1 THR A 586 2.956 12.384 0.623 1.00 51.32 H new ATOM 0 HG21 THR A 586 2.559 14.781 -1.977 1.00 45.43 H new ATOM 0 HG22 THR A 586 3.934 15.769 -1.430 1.00 45.43 H new ATOM 0 HG23 THR A 586 4.216 14.143 -2.094 1.00 45.43 H new ATOM 1314 N PHE A 587 5.488 11.859 0.721 1.00 20.21 N ATOM 1315 CA PHE A 587 6.145 10.671 0.358 1.00 25.45 C ATOM 1316 C PHE A 587 5.110 9.601 0.169 1.00 51.35 C ATOM 1317 O PHE A 587 4.049 9.633 0.813 1.00 22.20 O ATOM 1318 CB PHE A 587 7.262 10.279 1.350 1.00 42.34 C ATOM 1319 CG PHE A 587 6.981 10.456 2.827 1.00 22.11 C ATOM 1320 CD1 PHE A 587 6.131 9.608 3.522 1.00 1.54 C ATOM 1321 CD2 PHE A 587 7.636 11.450 3.526 1.00 43.34 C ATOM 1322 CE1 PHE A 587 5.947 9.761 4.887 1.00 32.41 C ATOM 1323 CE2 PHE A 587 7.449 11.611 4.881 1.00 21.21 C ATOM 1324 CZ PHE A 587 6.607 10.761 5.565 1.00 24.03 C ATOM 0 H PHE A 587 4.837 11.737 1.497 1.00 20.21 H new ATOM 0 HA PHE A 587 6.673 10.819 -0.584 1.00 25.45 H new ATOM 0 HB2 PHE A 587 7.511 9.232 1.179 1.00 42.34 H new ATOM 0 HB3 PHE A 587 8.149 10.862 1.104 1.00 42.34 H new ATOM 0 HD1 PHE A 587 5.609 8.823 2.995 1.00 1.54 H new ATOM 0 HD2 PHE A 587 8.307 12.113 3.001 1.00 43.34 H new ATOM 0 HE1 PHE A 587 5.285 9.095 5.420 1.00 32.41 H new ATOM 0 HE2 PHE A 587 7.962 12.403 5.407 1.00 21.21 H new ATOM 0 HZ PHE A 587 6.465 10.879 6.629 1.00 24.03 H new ATOM 1334 N PHE A 588 5.375 8.697 -0.712 1.00 4.43 N ATOM 1335 CA PHE A 588 4.401 7.709 -1.081 1.00 40.22 C ATOM 1336 C PHE A 588 4.765 6.389 -0.451 1.00 52.04 C ATOM 1337 O PHE A 588 5.935 6.064 -0.334 1.00 73.31 O ATOM 1338 CB PHE A 588 4.361 7.559 -2.614 1.00 70.21 C ATOM 1339 CG PHE A 588 4.349 8.876 -3.358 1.00 62.04 C ATOM 1340 CD1 PHE A 588 3.219 9.676 -3.384 1.00 61.43 C ATOM 1341 CD2 PHE A 588 5.486 9.314 -4.015 1.00 32.14 C ATOM 1342 CE1 PHE A 588 3.227 10.886 -4.055 1.00 12.31 C ATOM 1343 CE2 PHE A 588 5.501 10.522 -4.683 1.00 43.42 C ATOM 1344 CZ PHE A 588 4.367 11.308 -4.704 1.00 43.22 C ATOM 0 H PHE A 588 6.268 8.616 -1.199 1.00 4.43 H new ATOM 0 HA PHE A 588 3.418 8.022 -0.729 1.00 40.22 H new ATOM 0 HB2 PHE A 588 5.226 6.979 -2.935 1.00 70.21 H new ATOM 0 HB3 PHE A 588 3.474 6.988 -2.891 1.00 70.21 H new ATOM 0 HD1 PHE A 588 2.323 9.352 -2.876 1.00 61.43 H new ATOM 0 HD2 PHE A 588 6.375 8.701 -4.005 1.00 32.14 H new ATOM 0 HE1 PHE A 588 2.339 11.500 -4.070 1.00 12.31 H new ATOM 0 HE2 PHE A 588 6.397 10.851 -5.188 1.00 43.42 H new ATOM 0 HZ PHE A 588 4.373 12.252 -5.228 1.00 43.22 H new ATOM 1354 N LEU A 589 3.797 5.661 -0.006 1.00 52.13 N ATOM 1355 CA LEU A 589 4.040 4.338 0.498 1.00 3.31 C ATOM 1356 C LEU A 589 3.430 3.397 -0.508 1.00 14.45 C ATOM 1357 O LEU A 589 2.264 3.547 -0.878 1.00 30.44 O ATOM 1358 CB LEU A 589 3.387 4.142 1.884 1.00 0.32 C ATOM 1359 CG LEU A 589 3.950 3.034 2.814 1.00 54.35 C ATOM 1360 CD1 LEU A 589 3.905 1.640 2.207 1.00 32.31 C ATOM 1361 CD2 LEU A 589 5.339 3.381 3.264 1.00 32.50 C ATOM 0 H LEU A 589 2.821 5.956 0.022 1.00 52.13 H new ATOM 0 HA LEU A 589 5.107 4.157 0.628 1.00 3.31 H new ATOM 0 HB2 LEU A 589 3.452 5.089 2.419 1.00 0.32 H new ATOM 0 HB3 LEU A 589 2.328 3.937 1.726 1.00 0.32 H new ATOM 0 HG LEU A 589 3.289 2.999 3.680 1.00 54.35 H new ATOM 0 HD11 LEU A 589 4.315 0.921 2.916 1.00 32.31 H new ATOM 0 HD12 LEU A 589 2.872 1.376 1.979 1.00 32.31 H new ATOM 0 HD13 LEU A 589 4.495 1.623 1.291 1.00 32.31 H new ATOM 0 HD21 LEU A 589 5.718 2.593 3.915 1.00 32.50 H new ATOM 0 HD22 LEU A 589 5.990 3.478 2.395 1.00 32.50 H new ATOM 0 HD23 LEU A 589 5.320 4.325 3.809 1.00 32.50 H new ATOM 1373 N GLU A 590 4.196 2.480 -0.982 1.00 63.41 N ATOM 1374 CA GLU A 590 3.700 1.547 -1.936 1.00 13.21 C ATOM 1375 C GLU A 590 4.135 0.156 -1.551 1.00 21.21 C ATOM 1376 O GLU A 590 5.336 -0.104 -1.366 1.00 34.51 O ATOM 1377 CB GLU A 590 4.224 1.889 -3.324 1.00 61.43 C ATOM 1378 CG GLU A 590 3.674 1.015 -4.427 1.00 44.23 C ATOM 1379 CD GLU A 590 4.385 1.234 -5.727 1.00 74.41 C ATOM 1380 OE1 GLU A 590 5.459 0.619 -5.925 1.00 33.43 O ATOM 1381 OE2 GLU A 590 3.887 2.009 -6.575 1.00 31.42 O ATOM 0 H GLU A 590 5.175 2.353 -0.724 1.00 63.41 H new ATOM 0 HA GLU A 590 2.611 1.594 -1.951 1.00 13.21 H new ATOM 0 HB2 GLU A 590 3.983 2.929 -3.545 1.00 61.43 H new ATOM 0 HB3 GLU A 590 5.311 1.808 -3.320 1.00 61.43 H new ATOM 0 HG2 GLU A 590 3.763 -0.032 -4.138 1.00 44.23 H new ATOM 0 HG3 GLU A 590 2.611 1.221 -4.556 1.00 44.23 H new ATOM 1388 N ILE A 591 3.174 -0.713 -1.387 1.00 43.23 N ATOM 1389 CA ILE A 591 3.445 -2.106 -1.146 1.00 52.23 C ATOM 1390 C ILE A 591 3.784 -2.756 -2.478 1.00 50.32 C ATOM 1391 O ILE A 591 3.313 -2.300 -3.538 1.00 10.31 O ATOM 1392 CB ILE A 591 2.252 -2.838 -0.455 1.00 63.43 C ATOM 1393 CG1 ILE A 591 0.955 -2.669 -1.259 1.00 71.54 C ATOM 1394 CG2 ILE A 591 2.074 -2.354 0.983 1.00 63.41 C ATOM 1395 CD1 ILE A 591 -0.256 -3.334 -0.638 1.00 64.23 C ATOM 0 H ILE A 591 2.182 -0.476 -1.416 1.00 43.23 H new ATOM 0 HA ILE A 591 4.284 -2.188 -0.455 1.00 52.23 H new ATOM 0 HB ILE A 591 2.486 -3.902 -0.425 1.00 63.43 H new ATOM 0 HG12 ILE A 591 0.750 -1.605 -1.376 1.00 71.54 H new ATOM 0 HG13 ILE A 591 1.106 -3.076 -2.259 1.00 71.54 H new ATOM 0 HG21 ILE A 591 1.237 -2.879 1.443 1.00 63.41 H new ATOM 0 HG22 ILE A 591 2.983 -2.555 1.550 1.00 63.41 H new ATOM 0 HG23 ILE A 591 1.875 -1.282 0.984 1.00 63.41 H new ATOM 0 HD11 ILE A 591 -1.128 -3.165 -1.270 1.00 64.23 H new ATOM 0 HD12 ILE A 591 -0.076 -4.405 -0.546 1.00 64.23 H new ATOM 0 HD13 ILE A 591 -0.437 -2.911 0.350 1.00 64.23 H new ATOM 1407 N GLY A 592 4.604 -3.751 -2.438 1.00 53.20 N ATOM 1408 CA GLY A 592 5.044 -4.388 -3.634 1.00 53.33 C ATOM 1409 C GLY A 592 4.201 -5.570 -4.003 1.00 5.02 C ATOM 1410 O GLY A 592 2.974 -5.557 -3.824 1.00 3.43 O ATOM 0 H GLY A 592 4.988 -4.145 -1.579 1.00 53.20 H new ATOM 0 HA2 GLY A 592 5.029 -3.667 -4.451 1.00 53.33 H new ATOM 0 HA3 GLY A 592 6.078 -4.709 -3.511 1.00 53.33 H new ATOM 1414 N GLU A 593 4.845 -6.577 -4.513 1.00 12.02 N ATOM 1415 CA GLU A 593 4.182 -7.782 -4.918 1.00 42.14 C ATOM 1416 C GLU A 593 4.221 -8.768 -3.765 1.00 23.42 C ATOM 1417 O GLU A 593 5.309 -9.140 -3.299 1.00 70.51 O ATOM 1418 CB GLU A 593 4.882 -8.366 -6.142 1.00 13.23 C ATOM 1419 CG GLU A 593 4.202 -9.572 -6.757 1.00 54.35 C ATOM 1420 CD GLU A 593 4.943 -10.061 -7.972 1.00 45.24 C ATOM 1421 OE1 GLU A 593 4.793 -9.441 -9.047 1.00 51.24 O ATOM 1422 OE2 GLU A 593 5.728 -11.038 -7.852 1.00 1.53 O ATOM 0 H GLU A 593 5.854 -6.586 -4.661 1.00 12.02 H new ATOM 0 HA GLU A 593 3.145 -7.572 -5.181 1.00 42.14 H new ATOM 0 HB2 GLU A 593 4.963 -7.588 -6.901 1.00 13.23 H new ATOM 0 HB3 GLU A 593 5.898 -8.645 -5.862 1.00 13.23 H new ATOM 0 HG2 GLU A 593 4.141 -10.372 -6.020 1.00 54.35 H new ATOM 0 HG3 GLU A 593 3.179 -9.314 -7.032 1.00 54.35 H new ATOM 1429 N PRO A 594 3.056 -9.160 -3.246 1.00 0.44 N ATOM 1430 CA PRO A 594 2.982 -10.132 -2.173 1.00 53.41 C ATOM 1431 C PRO A 594 3.477 -11.505 -2.649 1.00 53.54 C ATOM 1432 O PRO A 594 3.254 -11.896 -3.785 1.00 33.20 O ATOM 1433 CB PRO A 594 1.489 -10.164 -1.809 1.00 45.40 C ATOM 1434 CG PRO A 594 0.782 -9.638 -3.000 1.00 12.32 C ATOM 1435 CD PRO A 594 1.726 -8.697 -3.680 1.00 4.44 C ATOM 0 HA PRO A 594 3.609 -9.875 -1.319 1.00 53.41 H new ATOM 0 HB2 PRO A 594 1.163 -11.178 -1.575 1.00 45.40 H new ATOM 0 HB3 PRO A 594 1.286 -9.553 -0.930 1.00 45.40 H new ATOM 0 HG2 PRO A 594 0.495 -10.449 -3.669 1.00 12.32 H new ATOM 0 HG3 PRO A 594 -0.135 -9.124 -2.710 1.00 12.32 H new ATOM 0 HD2 PRO A 594 1.622 -8.739 -4.764 1.00 4.44 H new ATOM 0 HD3 PRO A 594 1.545 -7.664 -3.382 1.00 4.44 H new ATOM 1443 N ARG A 595 4.141 -12.226 -1.791 1.00 52.21 N ATOM 1444 CA ARG A 595 4.714 -13.493 -2.180 1.00 52.12 C ATOM 1445 C ARG A 595 4.212 -14.597 -1.283 1.00 41.03 C ATOM 1446 O ARG A 595 4.125 -14.421 -0.056 1.00 14.33 O ATOM 1447 CB ARG A 595 6.254 -13.407 -2.191 1.00 22.21 C ATOM 1448 CG ARG A 595 6.885 -13.019 -0.857 1.00 12.44 C ATOM 1449 CD ARG A 595 8.371 -12.729 -1.000 1.00 0.21 C ATOM 1450 NE ARG A 595 9.143 -13.885 -1.487 1.00 41.45 N ATOM 1451 CZ ARG A 595 10.311 -13.792 -2.144 1.00 12.30 C ATOM 1452 NH1 ARG A 595 10.778 -12.599 -2.506 1.00 15.30 N ATOM 1453 NH2 ARG A 595 11.001 -14.893 -2.454 1.00 4.14 N ATOM 0 H ARG A 595 4.301 -11.963 -0.819 1.00 52.21 H new ATOM 0 HA ARG A 595 4.396 -13.731 -3.195 1.00 52.12 H new ATOM 0 HB2 ARG A 595 6.655 -14.373 -2.499 1.00 22.21 H new ATOM 0 HB3 ARG A 595 6.558 -12.681 -2.945 1.00 22.21 H new ATOM 0 HG2 ARG A 595 6.380 -12.140 -0.458 1.00 12.44 H new ATOM 0 HG3 ARG A 595 6.739 -13.825 -0.138 1.00 12.44 H new ATOM 0 HD2 ARG A 595 8.507 -11.894 -1.687 1.00 0.21 H new ATOM 0 HD3 ARG A 595 8.768 -12.416 -0.034 1.00 0.21 H new ATOM 0 HE ARG A 595 8.766 -14.817 -1.314 1.00 41.45 H new ATOM 0 HH11 ARG A 595 10.249 -11.756 -2.284 1.00 15.30 H new ATOM 0 HH12 ARG A 595 11.665 -12.528 -3.005 1.00 15.30 H new ATOM 0 HH21 ARG A 595 10.642 -15.811 -2.192 1.00 4.14 H new ATOM 0 HH22 ARG A 595 11.887 -14.816 -2.953 1.00 4.14 H new ATOM 1467 N LEU A 596 3.852 -15.712 -1.880 1.00 10.20 N ATOM 1468 CA LEU A 596 3.321 -16.827 -1.139 1.00 70.15 C ATOM 1469 C LEU A 596 4.490 -17.568 -0.508 1.00 42.04 C ATOM 1470 O LEU A 596 5.431 -17.967 -1.209 1.00 1.51 O ATOM 1471 CB LEU A 596 2.548 -17.771 -2.072 1.00 63.32 C ATOM 1472 CG LEU A 596 1.232 -18.361 -1.529 1.00 70.50 C ATOM 1473 CD1 LEU A 596 1.380 -18.872 -0.112 1.00 5.05 C ATOM 1474 CD2 LEU A 596 0.116 -17.345 -1.618 1.00 60.43 C ATOM 0 H LEU A 596 3.920 -15.868 -2.886 1.00 10.20 H new ATOM 0 HA LEU A 596 2.633 -16.472 -0.372 1.00 70.15 H new ATOM 0 HB2 LEU A 596 2.324 -17.231 -2.992 1.00 63.32 H new ATOM 0 HB3 LEU A 596 3.206 -18.598 -2.340 1.00 63.32 H new ATOM 0 HG LEU A 596 0.977 -19.216 -2.155 1.00 70.50 H new ATOM 0 HD11 LEU A 596 0.428 -19.279 0.229 1.00 5.05 H new ATOM 0 HD12 LEU A 596 2.139 -19.654 -0.085 1.00 5.05 H new ATOM 0 HD13 LEU A 596 1.679 -18.052 0.541 1.00 5.05 H new ATOM 0 HD21 LEU A 596 -0.805 -17.781 -1.230 1.00 60.43 H new ATOM 0 HD22 LEU A 596 0.377 -16.465 -1.030 1.00 60.43 H new ATOM 0 HD23 LEU A 596 -0.030 -17.055 -2.659 1.00 60.43 H new ATOM 1486 N VAL A 597 4.447 -17.739 0.785 1.00 30.54 N ATOM 1487 CA VAL A 597 5.547 -18.357 1.501 1.00 61.11 C ATOM 1488 C VAL A 597 5.597 -19.876 1.305 1.00 34.35 C ATOM 1489 O VAL A 597 6.690 -20.453 1.132 1.00 62.35 O ATOM 1490 CB VAL A 597 5.518 -17.990 3.004 1.00 34.34 C ATOM 1491 CG1 VAL A 597 6.660 -18.639 3.756 1.00 64.33 C ATOM 1492 CG2 VAL A 597 5.577 -16.485 3.172 1.00 1.14 C ATOM 0 H VAL A 597 3.662 -17.460 1.373 1.00 30.54 H new ATOM 0 HA VAL A 597 6.463 -17.953 1.070 1.00 61.11 H new ATOM 0 HB VAL A 597 4.584 -18.366 3.422 1.00 34.34 H new ATOM 0 HG11 VAL A 597 6.608 -18.359 4.808 1.00 64.33 H new ATOM 0 HG12 VAL A 597 6.587 -19.723 3.664 1.00 64.33 H new ATOM 0 HG13 VAL A 597 7.609 -18.303 3.338 1.00 64.33 H new ATOM 0 HG21 VAL A 597 5.556 -16.236 4.233 1.00 1.14 H new ATOM 0 HG22 VAL A 597 6.497 -16.105 2.728 1.00 1.14 H new ATOM 0 HG23 VAL A 597 4.720 -16.030 2.676 1.00 1.14 H new ATOM 2055 N ARG A 633 0.826 -16.147 -8.035 1.00 24.14 N ATOM 2056 CA ARG A 633 1.292 -15.170 -7.070 1.00 23.02 C ATOM 2057 C ARG A 633 0.075 -14.630 -6.380 1.00 63.53 C ATOM 2058 O ARG A 633 -1.016 -14.668 -6.946 1.00 70.33 O ATOM 2059 CB ARG A 633 1.973 -13.919 -7.720 1.00 31.45 C ATOM 2060 CG ARG A 633 3.277 -14.097 -8.485 1.00 33.14 C ATOM 2061 CD ARG A 633 3.090 -14.893 -9.743 1.00 33.43 C ATOM 2062 NE ARG A 633 3.737 -14.275 -10.896 1.00 33.01 N ATOM 2063 CZ ARG A 633 4.733 -14.812 -11.586 1.00 70.10 C ATOM 2064 NH1 ARG A 633 5.345 -15.913 -11.129 1.00 40.54 N ATOM 2065 NH2 ARG A 633 5.154 -14.235 -12.703 1.00 41.13 N ATOM 0 HA ARG A 633 2.015 -15.673 -6.427 1.00 23.02 H new ATOM 0 HB2 ARG A 633 1.251 -13.470 -8.402 1.00 31.45 H new ATOM 0 HB3 ARG A 633 2.155 -13.195 -6.926 1.00 31.45 H new ATOM 0 HG2 ARG A 633 3.687 -13.118 -8.734 1.00 33.14 H new ATOM 0 HG3 ARG A 633 4.006 -14.595 -7.846 1.00 33.14 H new ATOM 0 HD2 ARG A 633 3.493 -15.895 -9.598 1.00 33.43 H new ATOM 0 HD3 ARG A 633 2.024 -15.004 -9.944 1.00 33.43 H new ATOM 0 HE ARG A 633 3.397 -13.360 -11.193 1.00 33.01 H new ATOM 0 HH11 ARG A 633 5.044 -16.337 -10.251 1.00 40.54 H new ATOM 0 HH12 ARG A 633 6.112 -16.327 -11.659 1.00 40.54 H new ATOM 0 HH21 ARG A 633 4.711 -13.377 -13.032 1.00 41.13 H new ATOM 0 HH22 ARG A 633 5.921 -14.649 -13.233 1.00 41.13 H new ATOM 2079 N PRO A 634 0.192 -14.191 -5.154 1.00 53.01 N ATOM 2080 CA PRO A 634 -0.825 -13.376 -4.592 1.00 75.12 C ATOM 2081 C PRO A 634 -0.652 -11.979 -5.182 1.00 10.51 C ATOM 2082 O PRO A 634 0.464 -11.505 -5.309 1.00 4.23 O ATOM 2083 CB PRO A 634 -0.555 -13.370 -3.094 1.00 1.25 C ATOM 2084 CG PRO A 634 0.826 -13.915 -2.912 1.00 22.22 C ATOM 2085 CD PRO A 634 1.284 -14.490 -4.226 1.00 44.23 C ATOM 0 HA PRO A 634 -1.838 -13.723 -4.795 1.00 75.12 H new ATOM 0 HB2 PRO A 634 -0.631 -12.361 -2.690 1.00 1.25 H new ATOM 0 HB3 PRO A 634 -1.287 -13.981 -2.565 1.00 1.25 H new ATOM 0 HG2 PRO A 634 1.505 -13.128 -2.585 1.00 22.22 H new ATOM 0 HG3 PRO A 634 0.832 -14.683 -2.139 1.00 22.22 H new ATOM 0 HD2 PRO A 634 2.219 -14.037 -4.554 1.00 44.23 H new ATOM 0 HD3 PRO A 634 1.459 -15.563 -4.151 1.00 44.23 H new ATOM 2093 N ILE A 635 -1.708 -11.342 -5.589 1.00 12.53 N ATOM 2094 CA ILE A 635 -1.552 -10.038 -6.183 1.00 61.52 C ATOM 2095 C ILE A 635 -2.253 -8.934 -5.432 1.00 65.15 C ATOM 2096 O ILE A 635 -3.029 -9.181 -4.513 1.00 55.32 O ATOM 2097 CB ILE A 635 -1.827 -9.991 -7.722 1.00 42.12 C ATOM 2098 CG1 ILE A 635 -3.123 -10.731 -8.144 1.00 30.25 C ATOM 2099 CG2 ILE A 635 -0.626 -10.518 -8.495 1.00 34.42 C ATOM 2100 CD1 ILE A 635 -4.416 -10.091 -7.683 1.00 51.43 C ATOM 0 H ILE A 635 -2.666 -11.687 -5.526 1.00 12.53 H new ATOM 0 HA ILE A 635 -0.486 -9.835 -6.078 1.00 61.52 H new ATOM 0 HB ILE A 635 -1.986 -8.942 -7.973 1.00 42.12 H new ATOM 0 HG12 ILE A 635 -3.141 -10.805 -9.231 1.00 30.25 H new ATOM 0 HG13 ILE A 635 -3.083 -11.749 -7.756 1.00 30.25 H new ATOM 0 HG21 ILE A 635 -0.835 -10.478 -9.564 1.00 34.42 H new ATOM 0 HG22 ILE A 635 0.247 -9.905 -8.273 1.00 34.42 H new ATOM 0 HG23 ILE A 635 -0.429 -11.549 -8.202 1.00 34.42 H new ATOM 0 HD11 ILE A 635 -5.261 -10.686 -8.030 1.00 51.43 H new ATOM 0 HD12 ILE A 635 -4.430 -10.042 -6.594 1.00 51.43 H new ATOM 0 HD13 ILE A 635 -4.489 -9.083 -8.092 1.00 51.43 H new ATOM 2112 N LEU A 636 -1.960 -7.720 -5.834 1.00 14.41 N ATOM 2113 CA LEU A 636 -2.470 -6.531 -5.193 1.00 3.32 C ATOM 2114 C LEU A 636 -3.944 -6.294 -5.514 1.00 31.44 C ATOM 2115 O LEU A 636 -4.495 -6.876 -6.456 1.00 44.32 O ATOM 2116 CB LEU A 636 -1.576 -5.283 -5.520 1.00 45.01 C ATOM 2117 CG LEU A 636 -1.560 -4.661 -6.966 1.00 23.10 C ATOM 2118 CD1 LEU A 636 -1.399 -5.685 -8.068 1.00 40.23 C ATOM 2119 CD2 LEU A 636 -2.746 -3.742 -7.224 1.00 53.43 C ATOM 0 H LEU A 636 -1.350 -7.527 -6.629 1.00 14.41 H new ATOM 0 HA LEU A 636 -2.417 -6.689 -4.116 1.00 3.32 H new ATOM 0 HB2 LEU A 636 -1.870 -4.489 -4.833 1.00 45.01 H new ATOM 0 HB3 LEU A 636 -0.548 -5.552 -5.275 1.00 45.01 H new ATOM 0 HG LEU A 636 -0.661 -4.045 -6.993 1.00 23.10 H new ATOM 0 HD11 LEU A 636 -1.397 -5.182 -9.035 1.00 40.23 H new ATOM 0 HD12 LEU A 636 -0.458 -6.218 -7.935 1.00 40.23 H new ATOM 0 HD13 LEU A 636 -2.226 -6.394 -8.030 1.00 40.23 H new ATOM 0 HD21 LEU A 636 -2.683 -3.342 -8.236 1.00 53.43 H new ATOM 0 HD22 LEU A 636 -3.673 -4.305 -7.113 1.00 53.43 H new ATOM 0 HD23 LEU A 636 -2.732 -2.921 -6.508 1.00 53.43 H new ATOM 2131 N GLY A 637 -4.553 -5.429 -4.741 1.00 52.21 N ATOM 2132 CA GLY A 637 -5.956 -5.128 -4.873 1.00 43.25 C ATOM 2133 C GLY A 637 -6.233 -4.073 -5.901 1.00 31.35 C ATOM 2134 O GLY A 637 -6.018 -4.281 -7.101 1.00 72.42 O ATOM 0 H GLY A 637 -4.085 -4.911 -3.997 1.00 52.21 H new ATOM 0 HA2 GLY A 637 -6.494 -6.038 -5.140 1.00 43.25 H new ATOM 0 HA3 GLY A 637 -6.344 -4.799 -3.909 1.00 43.25 H new ATOM 2138 N GLU A 638 -6.723 -2.960 -5.459 1.00 3.35 N ATOM 2139 CA GLU A 638 -7.012 -1.893 -6.351 1.00 32.43 C ATOM 2140 C GLU A 638 -5.886 -0.875 -6.349 1.00 40.10 C ATOM 2141 O GLU A 638 -5.132 -0.776 -7.308 1.00 30.21 O ATOM 2142 CB GLU A 638 -8.342 -1.236 -5.995 1.00 74.45 C ATOM 2143 CG GLU A 638 -8.806 -0.215 -7.010 1.00 2.13 C ATOM 2144 CD GLU A 638 -9.028 -0.845 -8.360 1.00 12.41 C ATOM 2145 OE1 GLU A 638 -10.139 -1.334 -8.625 1.00 75.43 O ATOM 2146 OE2 GLU A 638 -8.097 -0.883 -9.181 1.00 31.30 O ATOM 0 H GLU A 638 -6.931 -2.769 -4.479 1.00 3.35 H new ATOM 0 HA GLU A 638 -7.098 -2.302 -7.358 1.00 32.43 H new ATOM 0 HB2 GLU A 638 -9.104 -2.009 -5.896 1.00 74.45 H new ATOM 0 HB3 GLU A 638 -8.250 -0.753 -5.022 1.00 74.45 H new ATOM 0 HG2 GLU A 638 -9.731 0.248 -6.666 1.00 2.13 H new ATOM 0 HG3 GLU A 638 -8.064 0.579 -7.095 1.00 2.13 H new ATOM 2153 N HIS A 639 -5.732 -0.174 -5.257 1.00 40.24 N ATOM 2154 CA HIS A 639 -4.783 0.897 -5.224 1.00 54.30 C ATOM 2155 C HIS A 639 -3.615 0.645 -4.295 1.00 35.43 C ATOM 2156 O HIS A 639 -3.749 0.624 -3.057 1.00 51.21 O ATOM 2157 CB HIS A 639 -5.454 2.276 -4.962 1.00 73.32 C ATOM 2158 CG HIS A 639 -6.349 2.359 -3.746 1.00 12.32 C ATOM 2159 ND1 HIS A 639 -5.925 2.734 -2.488 1.00 55.13 N ATOM 2160 CD2 HIS A 639 -7.682 2.140 -3.634 1.00 22.12 C ATOM 2161 CE1 HIS A 639 -6.985 2.736 -1.677 1.00 64.40 C ATOM 2162 NE2 HIS A 639 -8.080 2.383 -2.325 1.00 53.40 N ATOM 0 H HIS A 639 -6.247 -0.326 -4.390 1.00 40.24 H new ATOM 0 HA HIS A 639 -4.357 0.934 -6.227 1.00 54.30 H new ATOM 0 HB2 HIS A 639 -4.669 3.026 -4.863 1.00 73.32 H new ATOM 0 HB3 HIS A 639 -6.042 2.544 -5.840 1.00 73.32 H new ATOM 0 HD2 HIS A 639 -8.333 1.826 -4.437 1.00 22.12 H new ATOM 0 HE1 HIS A 639 -6.952 2.993 -0.628 1.00 64.40 H new ATOM 0 HE2 HIS A 639 -9.023 2.305 -1.944 1.00 53.40 H new ATOM 2170 N THR A 640 -2.476 0.425 -4.884 1.00 20.41 N ATOM 2171 CA THR A 640 -1.281 0.339 -4.144 1.00 72.43 C ATOM 2172 C THR A 640 -0.596 1.681 -4.246 1.00 3.40 C ATOM 2173 O THR A 640 0.187 1.950 -5.168 1.00 43.24 O ATOM 2174 CB THR A 640 -0.382 -0.806 -4.658 1.00 11.24 C ATOM 2175 OG1 THR A 640 -0.314 -0.788 -6.104 1.00 25.53 O ATOM 2176 CG2 THR A 640 -0.927 -2.135 -4.200 1.00 12.24 C ATOM 0 H THR A 640 -2.364 0.302 -5.890 1.00 20.41 H new ATOM 0 HA THR A 640 -1.492 0.105 -3.101 1.00 72.43 H new ATOM 0 HB THR A 640 0.620 -0.664 -4.253 1.00 11.24 H new ATOM 0 HG1 THR A 640 -0.137 0.125 -6.412 1.00 25.53 H new ATOM 0 HG21 THR A 640 -0.287 -2.937 -4.567 1.00 12.24 H new ATOM 0 HG22 THR A 640 -0.953 -2.162 -3.111 1.00 12.24 H new ATOM 0 HG23 THR A 640 -1.936 -2.269 -4.591 1.00 12.24 H new ATOM 2184 N LYS A 641 -0.919 2.522 -3.307 1.00 41.34 N ATOM 2185 CA LYS A 641 -0.490 3.880 -3.280 1.00 73.44 C ATOM 2186 C LYS A 641 -0.922 4.465 -1.981 1.00 23.54 C ATOM 2187 O LYS A 641 -2.023 4.181 -1.504 1.00 20.12 O ATOM 2188 CB LYS A 641 -1.180 4.663 -4.410 1.00 12.31 C ATOM 2189 CG LYS A 641 -0.927 6.173 -4.426 1.00 51.14 C ATOM 2190 CD LYS A 641 0.484 6.526 -4.838 1.00 72.15 C ATOM 2191 CE LYS A 641 0.627 8.034 -5.025 1.00 42.32 C ATOM 2192 NZ LYS A 641 -0.298 8.569 -6.064 1.00 3.21 N ATOM 0 H LYS A 641 -1.509 2.267 -2.515 1.00 41.34 H new ATOM 0 HA LYS A 641 0.592 3.933 -3.404 1.00 73.44 H new ATOM 0 HB2 LYS A 641 -0.854 4.249 -5.364 1.00 12.31 H new ATOM 0 HB3 LYS A 641 -2.255 4.495 -4.339 1.00 12.31 H new ATOM 0 HG2 LYS A 641 -1.630 6.647 -5.111 1.00 51.14 H new ATOM 0 HG3 LYS A 641 -1.124 6.580 -3.434 1.00 51.14 H new ATOM 0 HD2 LYS A 641 1.187 6.180 -4.081 1.00 72.15 H new ATOM 0 HD3 LYS A 641 0.737 6.013 -5.766 1.00 72.15 H new ATOM 0 HE2 LYS A 641 0.432 8.535 -4.077 1.00 42.32 H new ATOM 0 HE3 LYS A 641 1.655 8.267 -5.303 1.00 42.32 H new ATOM 0 HZ1 LYS A 641 0.068 9.474 -6.422 1.00 3.21 H new ATOM 0 HZ2 LYS A 641 -0.369 7.890 -6.848 1.00 3.21 H new ATOM 0 HZ3 LYS A 641 -1.240 8.717 -5.648 1.00 3.21 H new ATOM 2206 N LEU A 642 -0.070 5.221 -1.411 1.00 61.13 N ATOM 2207 CA LEU A 642 -0.374 5.956 -0.246 1.00 51.32 C ATOM 2208 C LEU A 642 0.363 7.246 -0.326 1.00 43.12 C ATOM 2209 O LEU A 642 1.573 7.282 -0.199 1.00 51.44 O ATOM 2210 CB LEU A 642 0.039 5.227 1.002 1.00 44.13 C ATOM 2211 CG LEU A 642 -0.277 5.955 2.292 1.00 13.22 C ATOM 2212 CD1 LEU A 642 -1.767 6.004 2.552 1.00 20.43 C ATOM 2213 CD2 LEU A 642 0.457 5.350 3.441 1.00 41.31 C ATOM 0 H LEU A 642 0.884 5.351 -1.748 1.00 61.13 H new ATOM 0 HA LEU A 642 -1.452 6.108 -0.192 1.00 51.32 H new ATOM 0 HB2 LEU A 642 -0.454 4.255 1.019 1.00 44.13 H new ATOM 0 HB3 LEU A 642 1.112 5.040 0.959 1.00 44.13 H new ATOM 0 HG LEU A 642 0.065 6.984 2.183 1.00 13.22 H new ATOM 0 HD11 LEU A 642 -1.956 6.534 3.486 1.00 20.43 H new ATOM 0 HD12 LEU A 642 -2.262 6.525 1.733 1.00 20.43 H new ATOM 0 HD13 LEU A 642 -2.157 4.989 2.625 1.00 20.43 H new ATOM 0 HD21 LEU A 642 0.212 5.891 4.355 1.00 41.31 H new ATOM 0 HD22 LEU A 642 0.166 4.305 3.549 1.00 41.31 H new ATOM 0 HD23 LEU A 642 1.530 5.411 3.260 1.00 41.31 H new ATOM 2225 N GLU A 643 -0.337 8.258 -0.603 1.00 60.44 N ATOM 2226 CA GLU A 643 0.203 9.554 -0.708 1.00 72.32 C ATOM 2227 C GLU A 643 0.062 10.206 0.655 1.00 32.21 C ATOM 2228 O GLU A 643 -1.039 10.578 1.073 1.00 14.52 O ATOM 2229 CB GLU A 643 -0.573 10.277 -1.791 1.00 31.50 C ATOM 2230 CG GLU A 643 -0.015 11.589 -2.256 1.00 12.21 C ATOM 2231 CD GLU A 643 -0.712 12.033 -3.511 1.00 71.13 C ATOM 2232 OE1 GLU A 643 -0.318 11.580 -4.605 1.00 35.45 O ATOM 2233 OE2 GLU A 643 -1.696 12.804 -3.439 1.00 45.35 O ATOM 0 H GLU A 643 -1.342 8.215 -0.771 1.00 60.44 H new ATOM 0 HA GLU A 643 1.257 9.569 -0.984 1.00 72.32 H new ATOM 0 HB2 GLU A 643 -0.651 9.615 -2.654 1.00 31.50 H new ATOM 0 HB3 GLU A 643 -1.586 10.448 -1.428 1.00 31.50 H new ATOM 0 HG2 GLU A 643 -0.138 12.342 -1.477 1.00 12.21 H new ATOM 0 HG3 GLU A 643 1.055 11.493 -2.440 1.00 12.21 H new ATOM 2240 N VAL A 644 1.142 10.220 1.394 1.00 51.32 N ATOM 2241 CA VAL A 644 1.140 10.764 2.720 1.00 14.31 C ATOM 2242 C VAL A 644 1.543 12.203 2.667 1.00 51.11 C ATOM 2243 O VAL A 644 2.695 12.500 2.388 1.00 24.12 O ATOM 2244 CB VAL A 644 2.156 10.036 3.616 1.00 40.44 C ATOM 2245 CG1 VAL A 644 2.033 10.509 5.052 1.00 31.31 C ATOM 2246 CG2 VAL A 644 2.006 8.528 3.502 1.00 60.12 C ATOM 0 H VAL A 644 2.044 9.854 1.090 1.00 51.32 H new ATOM 0 HA VAL A 644 0.136 10.646 3.127 1.00 14.31 H new ATOM 0 HB VAL A 644 3.160 10.283 3.271 1.00 40.44 H new ATOM 0 HG11 VAL A 644 2.759 9.983 5.672 1.00 31.31 H new ATOM 0 HG12 VAL A 644 2.224 11.581 5.100 1.00 31.31 H new ATOM 0 HG13 VAL A 644 1.027 10.303 5.418 1.00 31.31 H new ATOM 0 HG21 VAL A 644 2.737 8.040 4.146 1.00 60.12 H new ATOM 0 HG22 VAL A 644 1.001 8.238 3.809 1.00 60.12 H new ATOM 0 HG23 VAL A 644 2.172 8.223 2.469 1.00 60.12 H new ATOM 2256 N ILE A 645 0.626 13.085 2.891 1.00 1.12 N ATOM 2257 CA ILE A 645 0.949 14.478 2.915 1.00 14.41 C ATOM 2258 C ILE A 645 1.221 14.871 4.361 1.00 40.35 C ATOM 2259 O ILE A 645 0.355 14.728 5.234 1.00 11.24 O ATOM 2260 CB ILE A 645 -0.151 15.400 2.279 1.00 72.34 C ATOM 2261 CG1 ILE A 645 -0.423 15.043 0.789 1.00 65.12 C ATOM 2262 CG2 ILE A 645 0.260 16.865 2.386 1.00 60.34 C ATOM 2263 CD1 ILE A 645 -1.295 13.814 0.559 1.00 53.24 C ATOM 0 H ILE A 645 -0.356 12.868 3.061 1.00 1.12 H new ATOM 0 HA ILE A 645 1.831 14.630 2.293 1.00 14.41 H new ATOM 0 HB ILE A 645 -1.072 15.234 2.837 1.00 72.34 H new ATOM 0 HG12 ILE A 645 -0.897 15.899 0.309 1.00 65.12 H new ATOM 0 HG13 ILE A 645 0.533 14.887 0.290 1.00 65.12 H new ATOM 0 HG21 ILE A 645 -0.512 17.493 1.941 1.00 60.34 H new ATOM 0 HG22 ILE A 645 0.385 17.132 3.435 1.00 60.34 H new ATOM 0 HG23 ILE A 645 1.201 17.018 1.858 1.00 60.34 H new ATOM 0 HD11 ILE A 645 -1.423 13.654 -0.512 1.00 53.24 H new ATOM 0 HD12 ILE A 645 -0.817 12.941 1.002 1.00 53.24 H new ATOM 0 HD13 ILE A 645 -2.270 13.968 1.021 1.00 53.24 H new ATOM 2275 N ILE A 646 2.422 15.314 4.615 1.00 14.33 N ATOM 2276 CA ILE A 646 2.848 15.624 5.953 1.00 22.45 C ATOM 2277 C ILE A 646 2.853 17.106 6.078 1.00 23.22 C ATOM 2278 O ILE A 646 3.664 17.783 5.441 1.00 0.33 O ATOM 2279 CB ILE A 646 4.299 15.125 6.277 1.00 25.11 C ATOM 2280 CG1 ILE A 646 4.550 13.684 5.832 1.00 22.24 C ATOM 2281 CG2 ILE A 646 4.605 15.258 7.760 1.00 23.31 C ATOM 2282 CD1 ILE A 646 4.795 13.540 4.348 1.00 54.52 C ATOM 0 H ILE A 646 3.133 15.470 3.901 1.00 14.33 H new ATOM 0 HA ILE A 646 2.167 15.125 6.642 1.00 22.45 H new ATOM 0 HB ILE A 646 4.969 15.767 5.705 1.00 25.11 H new ATOM 0 HG12 ILE A 646 5.411 13.291 6.373 1.00 22.24 H new ATOM 0 HG13 ILE A 646 3.692 13.072 6.111 1.00 22.24 H new ATOM 0 HG21 ILE A 646 5.617 14.905 7.956 1.00 23.31 H new ATOM 0 HG22 ILE A 646 4.522 16.304 8.056 1.00 23.31 H new ATOM 0 HG23 ILE A 646 3.895 14.661 8.333 1.00 23.31 H new ATOM 0 HD11 ILE A 646 4.965 12.491 4.107 1.00 54.52 H new ATOM 0 HD12 ILE A 646 3.926 13.902 3.799 1.00 54.52 H new ATOM 0 HD13 ILE A 646 5.671 14.124 4.066 1.00 54.52 H new ATOM 2294 N GLU A 647 1.987 17.614 6.856 1.00 74.03 N ATOM 2295 CA GLU A 647 1.894 19.014 6.996 1.00 34.04 C ATOM 2296 C GLU A 647 2.234 19.479 8.390 1.00 34.42 C ATOM 2297 O GLU A 647 2.068 18.735 9.377 1.00 35.31 O ATOM 2298 CB GLU A 647 0.564 19.536 6.463 1.00 23.44 C ATOM 2299 CG GLU A 647 -0.659 18.729 6.868 1.00 51.44 C ATOM 2300 CD GLU A 647 -1.895 19.254 6.199 1.00 33.31 C ATOM 2301 OE1 GLU A 647 -2.387 20.321 6.582 1.00 40.34 O ATOM 2302 OE2 GLU A 647 -2.384 18.637 5.225 1.00 60.30 O ATOM 0 H GLU A 647 1.322 17.078 7.414 1.00 74.03 H new ATOM 0 HA GLU A 647 2.661 19.466 6.368 1.00 34.04 H new ATOM 0 HB2 GLU A 647 0.432 20.562 6.805 1.00 23.44 H new ATOM 0 HB3 GLU A 647 0.614 19.567 5.375 1.00 23.44 H new ATOM 0 HG2 GLU A 647 -0.513 17.682 6.601 1.00 51.44 H new ATOM 0 HG3 GLU A 647 -0.783 18.768 7.950 1.00 51.44 H new ATOM 2309 N GLU A 648 2.774 20.681 8.442 1.00 41.42 N ATOM 2310 CA GLU A 648 3.234 21.324 9.655 1.00 43.15 C ATOM 2311 C GLU A 648 2.102 21.361 10.688 1.00 60.24 C ATOM 2312 O GLU A 648 0.957 21.673 10.330 1.00 0.24 O ATOM 2313 CB GLU A 648 3.694 22.742 9.291 1.00 54.54 C ATOM 2314 CG GLU A 648 4.431 23.489 10.377 1.00 12.14 C ATOM 2315 CD GLU A 648 5.695 22.792 10.799 1.00 72.12 C ATOM 2316 OE1 GLU A 648 6.512 22.379 9.917 1.00 4.33 O ATOM 2317 OE2 GLU A 648 5.927 22.667 11.999 1.00 35.42 O ATOM 0 H GLU A 648 2.909 21.256 7.610 1.00 41.42 H new ATOM 0 HA GLU A 648 4.064 20.771 10.095 1.00 43.15 H new ATOM 0 HB2 GLU A 648 4.339 22.681 8.415 1.00 54.54 H new ATOM 0 HB3 GLU A 648 2.819 23.325 9.003 1.00 54.54 H new ATOM 0 HG2 GLU A 648 4.673 24.491 10.024 1.00 12.14 H new ATOM 0 HG3 GLU A 648 3.778 23.605 11.242 1.00 12.14 H new ATOM 2324 N SER A 649 2.435 21.026 11.945 1.00 5.14 N ATOM 2325 CA SER A 649 1.472 20.943 13.039 1.00 1.30 C ATOM 2326 C SER A 649 0.638 22.223 13.126 1.00 71.01 C ATOM 2327 O SER A 649 1.165 23.327 13.307 1.00 60.43 O ATOM 2328 CB SER A 649 2.203 20.655 14.365 1.00 22.04 C ATOM 2329 OG SER A 649 1.302 20.390 15.441 1.00 4.42 O ATOM 0 H SER A 649 3.390 20.804 12.226 1.00 5.14 H new ATOM 0 HA SER A 649 0.785 20.119 12.843 1.00 1.30 H new ATOM 0 HB2 SER A 649 2.866 19.800 14.232 1.00 22.04 H new ATOM 0 HB3 SER A 649 2.830 21.508 14.623 1.00 22.04 H new ATOM 0 HG SER A 649 1.812 20.212 16.259 1.00 4.42 H new