USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 515 SER OG : rot 100:sc= 0.761 USER MOD Set 1.2: A 649 SER OG : rot 180:sc= 0.145 USER MOD Set 2.1: A 539 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 506 THR OG1 : rot 35:sc= 0.0305 USER MOD Single : A 512 THR OG1 : rot 75:sc= 1.06 USER MOD Single : A 513 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 521 MET CE :methyl 170:sc= -5.32! (180deg=-5.9!) USER MOD Single : A 524 LYS NZ :NH3+ 170:sc= -0.0133 (180deg=-0.147) USER MOD Single : A 528 THR OG1 : rot -120:sc= -2.66! USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN :FLIP amide:sc= -0.692 F(o=-2.8!,f=-0.69) USER MOD Single : A 540 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 THR OG1 : rot 63:sc= 1.51 USER MOD Single : A 545 THR OG1 : rot -35:sc= 0.397 USER MOD Single : A 557 CYS SG : rot -93:sc= 1.33 USER MOD Single : A 563 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 564 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 569 LYS NZ :NH3+ -175:sc= 1.99 (180deg=1.9) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 SER OG : rot 44:sc= 0.146 USER MOD Single : A 574 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.221) 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= -0.232 K(o=-0.23,f=-2.7!) USER MOD Single : A 585 LYS NZ :NH3+ 154:sc= 0.647 (180deg=-1.11!) USER MOD Single : A 586 THR OG1 : rot 43:sc= 0.702 USER MOD Single : A 639 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=-0.012) USER MOD Single : A 640 THR OG1 : rot 47:sc= 0.276 USER MOD Single : A 641 LYS NZ :NH3+ -99:sc= 1.28 (180deg=-0.0883) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 503 -5.599 -12.427 -4.468 1.00 13.15 N ATOM 29 CA GLY A 503 -5.574 -11.664 -3.278 1.00 3.32 C ATOM 30 C GLY A 503 -5.855 -10.215 -3.525 1.00 42.44 C ATOM 31 O GLY A 503 -5.661 -9.721 -4.630 1.00 61.01 O ATOM 0 HA2 GLY A 503 -6.311 -12.061 -2.580 1.00 3.32 H new ATOM 0 HA3 GLY A 503 -4.598 -11.767 -2.804 1.00 3.32 H new ATOM 35 N ILE A 504 -6.383 -9.561 -2.524 1.00 30.02 N ATOM 36 CA ILE A 504 -6.637 -8.143 -2.563 1.00 75.40 C ATOM 37 C ILE A 504 -5.904 -7.508 -1.391 1.00 11.45 C ATOM 38 O ILE A 504 -6.297 -7.688 -0.255 1.00 60.34 O ATOM 39 CB ILE A 504 -8.170 -7.757 -2.446 1.00 73.15 C ATOM 40 CG1 ILE A 504 -9.051 -8.353 -3.568 1.00 64.54 C ATOM 41 CG2 ILE A 504 -8.352 -6.244 -2.408 1.00 13.22 C ATOM 42 CD1 ILE A 504 -9.388 -9.821 -3.413 1.00 55.33 C ATOM 0 H ILE A 504 -6.653 -10.004 -1.646 1.00 30.02 H new ATOM 0 HA ILE A 504 -6.293 -7.783 -3.533 1.00 75.40 H new ATOM 0 HB ILE A 504 -8.507 -8.197 -1.508 1.00 73.15 H new ATOM 0 HG12 ILE A 504 -9.981 -7.787 -3.617 1.00 64.54 H new ATOM 0 HG13 ILE A 504 -8.541 -8.212 -4.521 1.00 64.54 H new ATOM 0 HG21 ILE A 504 -9.413 -6.007 -2.328 1.00 13.22 H new ATOM 0 HG22 ILE A 504 -7.823 -5.835 -1.547 1.00 13.22 H new ATOM 0 HG23 ILE A 504 -7.951 -5.806 -3.322 1.00 13.22 H new ATOM 0 HD11 ILE A 504 -10.008 -10.142 -4.250 1.00 55.33 H new ATOM 0 HD12 ILE A 504 -8.468 -10.406 -3.398 1.00 55.33 H new ATOM 0 HD13 ILE A 504 -9.930 -9.973 -2.480 1.00 55.33 H new ATOM 54 N PHE A 505 -4.817 -6.848 -1.658 1.00 34.42 N ATOM 55 CA PHE A 505 -4.090 -6.133 -0.624 1.00 73.04 C ATOM 56 C PHE A 505 -4.080 -4.676 -0.994 1.00 75.51 C ATOM 57 O PHE A 505 -3.471 -4.296 -1.995 1.00 61.42 O ATOM 58 CB PHE A 505 -2.651 -6.649 -0.481 1.00 5.23 C ATOM 59 CG PHE A 505 -2.541 -8.097 -0.089 1.00 5.31 C ATOM 60 CD1 PHE A 505 -2.901 -8.512 1.178 1.00 74.12 C ATOM 61 CD2 PHE A 505 -2.063 -9.036 -0.984 1.00 50.42 C ATOM 62 CE1 PHE A 505 -2.787 -9.838 1.545 1.00 14.41 C ATOM 63 CE2 PHE A 505 -1.948 -10.362 -0.626 1.00 61.14 C ATOM 64 CZ PHE A 505 -2.310 -10.764 0.640 1.00 62.24 C ATOM 0 H PHE A 505 -4.403 -6.783 -2.588 1.00 34.42 H new ATOM 0 HA PHE A 505 -4.582 -6.289 0.336 1.00 73.04 H new ATOM 0 HB2 PHE A 505 -2.131 -6.502 -1.427 1.00 5.23 H new ATOM 0 HB3 PHE A 505 -2.134 -6.044 0.264 1.00 5.23 H new ATOM 0 HD1 PHE A 505 -3.276 -7.791 1.890 1.00 74.12 H new ATOM 0 HD2 PHE A 505 -1.776 -8.726 -1.978 1.00 50.42 H new ATOM 0 HE1 PHE A 505 -3.071 -10.150 2.539 1.00 14.41 H new ATOM 0 HE2 PHE A 505 -1.575 -11.084 -1.337 1.00 61.14 H new ATOM 0 HZ PHE A 505 -2.221 -11.802 0.924 1.00 62.24 H new ATOM 74 N THR A 506 -4.753 -3.868 -0.238 1.00 64.13 N ATOM 75 CA THR A 506 -4.884 -2.488 -0.590 1.00 2.13 C ATOM 76 C THR A 506 -4.810 -1.620 0.652 1.00 21.25 C ATOM 77 O THR A 506 -5.084 -2.085 1.763 1.00 44.21 O ATOM 78 CB THR A 506 -6.239 -2.250 -1.341 1.00 5.41 C ATOM 79 OG1 THR A 506 -6.311 -0.921 -1.884 1.00 75.51 O ATOM 80 CG2 THR A 506 -7.441 -2.484 -0.422 1.00 14.32 C ATOM 0 H THR A 506 -5.221 -4.139 0.627 1.00 64.13 H new ATOM 0 HA THR A 506 -4.064 -2.215 -1.254 1.00 2.13 H new ATOM 0 HB THR A 506 -6.273 -2.971 -2.157 1.00 5.41 H new ATOM 0 HG1 THR A 506 -5.419 -0.638 -2.177 1.00 75.51 H new ATOM 0 HG21 THR A 506 -8.363 -2.310 -0.977 1.00 14.32 H new ATOM 0 HG22 THR A 506 -7.426 -3.511 -0.057 1.00 14.32 H new ATOM 0 HG23 THR A 506 -7.391 -1.798 0.424 1.00 14.32 H new ATOM 88 N PHE A 507 -4.417 -0.388 0.467 1.00 32.34 N ATOM 89 CA PHE A 507 -4.403 0.568 1.543 1.00 13.44 C ATOM 90 C PHE A 507 -5.790 1.087 1.701 1.00 31.50 C ATOM 91 O PHE A 507 -6.528 1.173 0.714 1.00 21.24 O ATOM 92 CB PHE A 507 -3.449 1.728 1.248 1.00 74.51 C ATOM 93 CG PHE A 507 -2.009 1.334 1.168 1.00 41.12 C ATOM 94 CD1 PHE A 507 -1.450 0.925 -0.029 1.00 53.30 C ATOM 95 CD2 PHE A 507 -1.213 1.382 2.292 1.00 23.12 C ATOM 96 CE1 PHE A 507 -0.122 0.568 -0.101 1.00 1.14 C ATOM 97 CE2 PHE A 507 0.113 1.029 2.230 1.00 53.42 C ATOM 98 CZ PHE A 507 0.660 0.621 1.032 1.00 64.41 C ATOM 0 H PHE A 507 -4.099 -0.019 -0.429 1.00 32.34 H new ATOM 0 HA PHE A 507 -4.055 0.084 2.456 1.00 13.44 H new ATOM 0 HB2 PHE A 507 -3.740 2.192 0.305 1.00 74.51 H new ATOM 0 HB3 PHE A 507 -3.564 2.484 2.024 1.00 74.51 H new ATOM 0 HD1 PHE A 507 -2.062 0.885 -0.918 1.00 53.30 H new ATOM 0 HD2 PHE A 507 -1.637 1.701 3.233 1.00 23.12 H new ATOM 0 HE1 PHE A 507 0.304 0.248 -1.040 1.00 1.14 H new ATOM 0 HE2 PHE A 507 0.726 1.071 3.118 1.00 53.42 H new ATOM 0 HZ PHE A 507 1.702 0.343 0.982 1.00 64.41 H new ATOM 108 N GLU A 508 -6.171 1.356 2.920 1.00 63.10 N ATOM 109 CA GLU A 508 -7.478 1.888 3.199 1.00 33.32 C ATOM 110 C GLU A 508 -7.608 3.280 2.592 1.00 61.21 C ATOM 111 O GLU A 508 -8.612 3.614 1.957 1.00 60.40 O ATOM 112 CB GLU A 508 -7.700 1.947 4.698 1.00 34.44 C ATOM 113 CG GLU A 508 -9.145 2.102 5.065 1.00 43.11 C ATOM 114 CD GLU A 508 -9.348 2.332 6.530 1.00 54.22 C ATOM 115 OE1 GLU A 508 -9.258 3.494 6.986 1.00 21.40 O ATOM 116 OE2 GLU A 508 -9.620 1.363 7.258 1.00 2.01 O ATOM 0 H GLU A 508 -5.588 1.214 3.745 1.00 63.10 H new ATOM 0 HA GLU A 508 -8.233 1.238 2.757 1.00 33.32 H new ATOM 0 HB2 GLU A 508 -7.309 1.038 5.155 1.00 34.44 H new ATOM 0 HB3 GLU A 508 -7.133 2.781 5.112 1.00 34.44 H new ATOM 0 HG2 GLU A 508 -9.569 2.937 4.508 1.00 43.11 H new ATOM 0 HG3 GLU A 508 -9.690 1.208 4.763 1.00 43.11 H new ATOM 123 N GLU A 509 -6.581 4.067 2.760 1.00 0.04 N ATOM 124 CA GLU A 509 -6.562 5.398 2.250 1.00 32.41 C ATOM 125 C GLU A 509 -5.350 5.573 1.352 1.00 74.11 C ATOM 126 O GLU A 509 -4.246 5.221 1.741 1.00 4.41 O ATOM 127 CB GLU A 509 -6.591 6.420 3.412 1.00 13.44 C ATOM 128 CG GLU A 509 -5.456 6.297 4.428 1.00 75.42 C ATOM 129 CD GLU A 509 -5.767 6.994 5.745 1.00 63.42 C ATOM 130 OE1 GLU A 509 -6.402 6.356 6.622 1.00 40.51 O ATOM 131 OE2 GLU A 509 -5.388 8.172 5.947 1.00 12.43 O ATOM 0 H GLU A 509 -5.733 3.796 3.258 1.00 0.04 H new ATOM 0 HA GLU A 509 -7.452 5.582 1.649 1.00 32.41 H new ATOM 0 HB2 GLU A 509 -6.569 7.424 2.989 1.00 13.44 H new ATOM 0 HB3 GLU A 509 -7.539 6.317 3.939 1.00 13.44 H new ATOM 0 HG2 GLU A 509 -5.257 5.242 4.618 1.00 75.42 H new ATOM 0 HG3 GLU A 509 -4.546 6.721 4.003 1.00 75.42 H new ATOM 138 N PRO A 510 -5.554 6.019 0.103 1.00 62.31 N ATOM 139 CA PRO A 510 -4.449 6.292 -0.817 1.00 14.33 C ATOM 140 C PRO A 510 -3.701 7.572 -0.439 1.00 73.35 C ATOM 141 O PRO A 510 -2.590 7.815 -0.897 1.00 74.22 O ATOM 142 CB PRO A 510 -5.147 6.461 -2.168 1.00 32.02 C ATOM 143 CG PRO A 510 -6.516 6.920 -1.821 1.00 62.32 C ATOM 144 CD PRO A 510 -6.869 6.225 -0.541 1.00 54.30 C ATOM 0 HA PRO A 510 -3.698 5.502 -0.809 1.00 14.33 H new ATOM 0 HB2 PRO A 510 -4.631 7.189 -2.794 1.00 32.02 H new ATOM 0 HB3 PRO A 510 -5.171 5.523 -2.723 1.00 32.02 H new ATOM 0 HG2 PRO A 510 -6.546 8.003 -1.699 1.00 62.32 H new ATOM 0 HG3 PRO A 510 -7.224 6.669 -2.610 1.00 62.32 H new ATOM 0 HD2 PRO A 510 -7.530 6.832 0.078 1.00 54.30 H new ATOM 0 HD3 PRO A 510 -7.381 5.280 -0.723 1.00 54.30 H new ATOM 152 N VAL A 511 -4.322 8.389 0.385 1.00 63.23 N ATOM 153 CA VAL A 511 -3.731 9.617 0.864 1.00 61.14 C ATOM 154 C VAL A 511 -3.945 9.717 2.350 1.00 4.11 C ATOM 155 O VAL A 511 -5.061 9.505 2.840 1.00 52.12 O ATOM 156 CB VAL A 511 -4.330 10.887 0.172 1.00 54.10 C ATOM 157 CG1 VAL A 511 -3.776 12.150 0.793 1.00 34.44 C ATOM 158 CG2 VAL A 511 -4.042 10.885 -1.311 1.00 0.12 C ATOM 0 H VAL A 511 -5.261 8.216 0.744 1.00 63.23 H new ATOM 0 HA VAL A 511 -2.669 9.586 0.621 1.00 61.14 H new ATOM 0 HB VAL A 511 -5.410 10.861 0.320 1.00 54.10 H new ATOM 0 HG11 VAL A 511 -4.207 13.019 0.296 1.00 34.44 H new ATOM 0 HG12 VAL A 511 -4.029 12.176 1.853 1.00 34.44 H new ATOM 0 HG13 VAL A 511 -2.692 12.167 0.679 1.00 34.44 H new ATOM 0 HG21 VAL A 511 -4.470 11.778 -1.766 1.00 0.12 H new ATOM 0 HG22 VAL A 511 -2.964 10.876 -1.472 1.00 0.12 H new ATOM 0 HG23 VAL A 511 -4.484 9.999 -1.766 1.00 0.12 H new ATOM 168 N THR A 512 -2.906 10.019 3.055 1.00 62.14 N ATOM 169 CA THR A 512 -2.990 10.182 4.449 1.00 3.41 C ATOM 170 C THR A 512 -2.253 11.486 4.810 1.00 31.24 C ATOM 171 O THR A 512 -1.271 11.861 4.146 1.00 64.44 O ATOM 172 CB THR A 512 -2.404 8.928 5.191 1.00 75.03 C ATOM 173 OG1 THR A 512 -2.809 8.914 6.554 1.00 72.43 O ATOM 174 CG2 THR A 512 -0.889 8.872 5.117 1.00 51.43 C ATOM 0 H THR A 512 -1.973 10.158 2.667 1.00 62.14 H new ATOM 0 HA THR A 512 -4.028 10.260 4.773 1.00 3.41 H new ATOM 0 HB THR A 512 -2.801 8.051 4.681 1.00 75.03 H new ATOM 0 HG1 THR A 512 -3.750 8.648 6.613 1.00 72.43 H new ATOM 0 HG21 THR A 512 -0.531 7.988 5.644 1.00 51.43 H new ATOM 0 HG22 THR A 512 -0.577 8.823 4.074 1.00 51.43 H new ATOM 0 HG23 THR A 512 -0.469 9.765 5.580 1.00 51.43 H new ATOM 182 N HIS A 513 -2.762 12.207 5.775 1.00 34.21 N ATOM 183 CA HIS A 513 -2.141 13.452 6.203 1.00 32.43 C ATOM 184 C HIS A 513 -1.654 13.278 7.606 1.00 34.41 C ATOM 185 O HIS A 513 -2.427 12.860 8.491 1.00 5.32 O ATOM 186 CB HIS A 513 -3.104 14.648 6.122 1.00 3.21 C ATOM 187 CG HIS A 513 -3.538 15.022 4.735 1.00 62.30 C ATOM 188 ND1 HIS A 513 -3.180 16.198 4.102 1.00 12.11 N ATOM 189 CD2 HIS A 513 -4.355 14.370 3.874 1.00 31.34 C ATOM 190 CE1 HIS A 513 -3.780 16.222 2.911 1.00 61.34 C ATOM 191 NE2 HIS A 513 -4.513 15.128 2.721 1.00 35.50 N ATOM 0 H HIS A 513 -3.609 11.959 6.287 1.00 34.21 H new ATOM 0 HA HIS A 513 -1.313 13.673 5.529 1.00 32.43 H new ATOM 0 HB2 HIS A 513 -3.990 14.422 6.715 1.00 3.21 H new ATOM 0 HB3 HIS A 513 -2.625 15.512 6.582 1.00 3.21 H new ATOM 0 HD1 HIS A 513 -2.566 16.920 4.479 1.00 12.11 H new ATOM 0 HD2 HIS A 513 -4.813 13.409 4.056 1.00 31.34 H new ATOM 0 HE1 HIS A 513 -3.683 17.024 2.195 1.00 61.34 H new ATOM 199 N VAL A 514 -0.408 13.585 7.831 1.00 21.11 N ATOM 200 CA VAL A 514 0.199 13.342 9.118 1.00 51.14 C ATOM 201 C VAL A 514 0.796 14.598 9.680 1.00 21.53 C ATOM 202 O VAL A 514 1.072 15.558 8.946 1.00 53.35 O ATOM 203 CB VAL A 514 1.280 12.222 9.071 1.00 4.02 C ATOM 204 CG1 VAL A 514 0.679 10.896 8.629 1.00 3.51 C ATOM 205 CG2 VAL A 514 2.440 12.613 8.167 1.00 52.00 C ATOM 0 H VAL A 514 0.213 14.006 7.140 1.00 21.11 H new ATOM 0 HA VAL A 514 -0.603 13.000 9.772 1.00 51.14 H new ATOM 0 HB VAL A 514 1.667 12.098 10.082 1.00 4.02 H new ATOM 0 HG11 VAL A 514 1.457 10.133 8.606 1.00 3.51 H new ATOM 0 HG12 VAL A 514 -0.100 10.598 9.331 1.00 3.51 H new ATOM 0 HG13 VAL A 514 0.248 11.005 7.634 1.00 3.51 H new ATOM 0 HG21 VAL A 514 3.178 11.811 8.155 1.00 52.00 H new ATOM 0 HG22 VAL A 514 2.072 12.783 7.155 1.00 52.00 H new ATOM 0 HG23 VAL A 514 2.902 13.526 8.543 1.00 52.00 H new ATOM 215 N SER A 515 0.976 14.598 10.970 1.00 23.45 N ATOM 216 CA SER A 515 1.541 15.707 11.642 1.00 42.42 C ATOM 217 C SER A 515 3.022 15.737 11.462 1.00 64.14 C ATOM 218 O SER A 515 3.669 14.704 11.328 1.00 53.02 O ATOM 219 CB SER A 515 1.190 15.675 13.145 1.00 55.13 C ATOM 220 OG SER A 515 1.692 16.819 13.833 1.00 72.51 O ATOM 0 H SER A 515 0.729 13.818 11.579 1.00 23.45 H new ATOM 0 HA SER A 515 1.119 16.612 11.206 1.00 42.42 H new ATOM 0 HB2 SER A 515 0.108 15.626 13.264 1.00 55.13 H new ATOM 0 HB3 SER A 515 1.602 14.771 13.595 1.00 55.13 H new ATOM 0 HG SER A 515 0.970 17.471 13.954 1.00 72.51 H new ATOM 226 N GLU A 516 3.545 16.922 11.454 1.00 51.43 N ATOM 227 CA GLU A 516 4.950 17.142 11.454 1.00 33.11 C ATOM 228 C GLU A 516 5.519 16.694 12.827 1.00 45.04 C ATOM 229 O GLU A 516 6.710 16.443 12.977 1.00 53.10 O ATOM 230 CB GLU A 516 5.196 18.628 11.259 1.00 2.22 C ATOM 231 CG GLU A 516 6.644 18.999 11.177 1.00 73.44 C ATOM 232 CD GLU A 516 6.845 20.476 11.329 1.00 75.00 C ATOM 233 OE1 GLU A 516 6.702 21.004 12.445 1.00 63.34 O ATOM 234 OE2 GLU A 516 7.110 21.149 10.324 1.00 70.35 O ATOM 0 H GLU A 516 2.993 17.779 11.447 1.00 51.43 H new ATOM 0 HA GLU A 516 5.434 16.578 10.657 1.00 33.11 H new ATOM 0 HB2 GLU A 516 4.696 18.952 10.346 1.00 2.22 H new ATOM 0 HB3 GLU A 516 4.738 19.173 12.084 1.00 2.22 H new ATOM 0 HG2 GLU A 516 7.199 18.474 11.954 1.00 73.44 H new ATOM 0 HG3 GLU A 516 7.050 18.673 10.220 1.00 73.44 H new ATOM 241 N SER A 517 4.635 16.564 13.811 1.00 23.45 N ATOM 242 CA SER A 517 5.048 16.230 15.151 1.00 61.35 C ATOM 243 C SER A 517 4.643 14.798 15.520 1.00 71.04 C ATOM 244 O SER A 517 4.561 14.440 16.703 1.00 51.30 O ATOM 245 CB SER A 517 4.447 17.244 16.124 1.00 52.14 C ATOM 246 OG SER A 517 4.847 18.568 15.770 1.00 73.42 O ATOM 0 H SER A 517 3.629 16.687 13.696 1.00 23.45 H new ATOM 0 HA SER A 517 6.135 16.275 15.211 1.00 61.35 H new ATOM 0 HB2 SER A 517 3.360 17.170 16.111 1.00 52.14 H new ATOM 0 HB3 SER A 517 4.770 17.019 17.140 1.00 52.14 H new ATOM 0 HG SER A 517 4.454 19.208 16.400 1.00 73.42 H new ATOM 252 N ILE A 518 4.426 13.976 14.520 1.00 73.20 N ATOM 253 CA ILE A 518 4.032 12.612 14.764 1.00 51.12 C ATOM 254 C ILE A 518 5.281 11.725 14.816 1.00 45.44 C ATOM 255 O ILE A 518 6.354 12.125 14.343 1.00 2.45 O ATOM 256 CB ILE A 518 3.042 12.107 13.674 1.00 11.02 C ATOM 257 CG1 ILE A 518 2.325 10.847 14.139 1.00 14.21 C ATOM 258 CG2 ILE A 518 3.758 11.833 12.356 1.00 55.21 C ATOM 259 CD1 ILE A 518 1.207 10.466 13.235 1.00 3.41 C ATOM 0 H ILE A 518 4.515 14.228 13.536 1.00 73.20 H new ATOM 0 HA ILE A 518 3.514 12.562 15.722 1.00 51.12 H new ATOM 0 HB ILE A 518 2.308 12.896 13.511 1.00 11.02 H new ATOM 0 HG12 ILE A 518 3.039 10.026 14.196 1.00 14.21 H new ATOM 0 HG13 ILE A 518 1.938 11.003 15.146 1.00 14.21 H new ATOM 0 HG21 ILE A 518 3.038 11.482 11.617 1.00 55.21 H new ATOM 0 HG22 ILE A 518 4.227 12.750 11.999 1.00 55.21 H new ATOM 0 HG23 ILE A 518 4.522 11.071 12.509 1.00 55.21 H new ATOM 0 HD11 ILE A 518 0.728 9.562 13.610 1.00 3.41 H new ATOM 0 HD12 ILE A 518 0.477 11.275 13.198 1.00 3.41 H new ATOM 0 HD13 ILE A 518 1.596 10.282 12.233 1.00 3.41 H new ATOM 271 N GLY A 519 5.162 10.573 15.417 1.00 74.42 N ATOM 272 CA GLY A 519 6.253 9.670 15.453 1.00 61.32 C ATOM 273 C GLY A 519 6.032 8.517 14.523 1.00 54.23 C ATOM 274 O GLY A 519 6.706 8.386 13.508 1.00 30.12 O ATOM 0 H GLY A 519 4.316 10.248 15.885 1.00 74.42 H new ATOM 0 HA2 GLY A 519 7.170 10.192 15.178 1.00 61.32 H new ATOM 0 HA3 GLY A 519 6.389 9.300 16.469 1.00 61.32 H new ATOM 278 N ILE A 520 5.066 7.711 14.846 1.00 14.04 N ATOM 279 CA ILE A 520 4.753 6.536 14.086 1.00 2.44 C ATOM 280 C ILE A 520 3.335 6.618 13.591 1.00 35.40 C ATOM 281 O ILE A 520 2.415 6.837 14.366 1.00 20.13 O ATOM 282 CB ILE A 520 4.938 5.236 14.942 1.00 35.14 C ATOM 283 CG1 ILE A 520 6.417 5.006 15.299 1.00 51.22 C ATOM 284 CG2 ILE A 520 4.346 4.002 14.252 1.00 51.22 C ATOM 285 CD1 ILE A 520 7.316 4.769 14.100 1.00 31.24 C ATOM 0 H ILE A 520 4.463 7.852 15.657 1.00 14.04 H new ATOM 0 HA ILE A 520 5.439 6.486 13.241 1.00 2.44 H new ATOM 0 HB ILE A 520 4.384 5.388 15.868 1.00 35.14 H new ATOM 0 HG12 ILE A 520 6.785 5.872 15.850 1.00 51.22 H new ATOM 0 HG13 ILE A 520 6.489 4.148 15.968 1.00 51.22 H new ATOM 0 HG21 ILE A 520 4.498 3.125 14.882 1.00 51.22 H new ATOM 0 HG22 ILE A 520 3.279 4.153 14.090 1.00 51.22 H new ATOM 0 HG23 ILE A 520 4.840 3.849 13.293 1.00 51.22 H new ATOM 0 HD11 ILE A 520 8.341 4.616 14.438 1.00 31.24 H new ATOM 0 HD12 ILE A 520 6.976 3.885 13.560 1.00 31.24 H new ATOM 0 HD13 ILE A 520 7.278 5.635 13.440 1.00 31.24 H new ATOM 297 N MET A 521 3.177 6.504 12.312 1.00 5.53 N ATOM 298 CA MET A 521 1.866 6.410 11.729 1.00 22.03 C ATOM 299 C MET A 521 1.651 4.972 11.355 1.00 61.11 C ATOM 300 O MET A 521 2.586 4.311 10.882 1.00 42.00 O ATOM 301 CB MET A 521 1.710 7.316 10.502 1.00 4.13 C ATOM 302 CG MET A 521 2.677 7.010 9.370 1.00 55.25 C ATOM 303 SD MET A 521 2.356 7.990 7.908 1.00 13.24 S ATOM 304 CE MET A 521 3.671 7.439 6.848 1.00 33.22 C ATOM 0 H MET A 521 3.944 6.473 11.640 1.00 5.53 H new ATOM 0 HA MET A 521 1.120 6.747 12.449 1.00 22.03 H new ATOM 0 HB2 MET A 521 0.690 7.227 10.127 1.00 4.13 H new ATOM 0 HB3 MET A 521 1.847 8.352 10.811 1.00 4.13 H new ATOM 0 HG2 MET A 521 3.697 7.193 9.709 1.00 55.25 H new ATOM 0 HG3 MET A 521 2.610 5.952 9.116 1.00 55.25 H new ATOM 0 HE1 MET A 521 3.509 7.820 5.840 1.00 33.22 H new ATOM 0 HE2 MET A 521 4.623 7.809 7.227 1.00 33.22 H new ATOM 0 HE3 MET A 521 3.688 6.349 6.826 1.00 33.22 H new ATOM 314 N GLU A 522 0.486 4.471 11.616 1.00 72.03 N ATOM 315 CA GLU A 522 0.181 3.103 11.336 1.00 53.21 C ATOM 316 C GLU A 522 -0.875 3.051 10.258 1.00 15.24 C ATOM 317 O GLU A 522 -2.066 3.211 10.531 1.00 63.23 O ATOM 318 CB GLU A 522 -0.337 2.364 12.581 1.00 2.13 C ATOM 319 CG GLU A 522 0.411 2.622 13.886 1.00 71.53 C ATOM 320 CD GLU A 522 0.037 3.955 14.560 1.00 51.31 C ATOM 321 OE1 GLU A 522 -0.861 4.674 14.049 1.00 52.23 O ATOM 322 OE2 GLU A 522 0.613 4.282 15.624 1.00 20.22 O ATOM 0 H GLU A 522 -0.282 4.999 12.030 1.00 72.03 H new ATOM 0 HA GLU A 522 1.098 2.611 11.011 1.00 53.21 H new ATOM 0 HB2 GLU A 522 -1.383 2.634 12.728 1.00 2.13 H new ATOM 0 HB3 GLU A 522 -0.310 1.293 12.378 1.00 2.13 H new ATOM 0 HG2 GLU A 522 0.208 1.805 14.579 1.00 71.53 H new ATOM 0 HG3 GLU A 522 1.483 2.613 13.688 1.00 71.53 H new ATOM 329 N VAL A 523 -0.448 2.864 9.052 1.00 23.12 N ATOM 330 CA VAL A 523 -1.357 2.849 7.925 1.00 4.34 C ATOM 331 C VAL A 523 -1.969 1.467 7.759 1.00 4.12 C ATOM 332 O VAL A 523 -1.251 0.465 7.774 1.00 43.00 O ATOM 333 CB VAL A 523 -0.638 3.262 6.635 1.00 21.11 C ATOM 334 CG1 VAL A 523 -1.633 3.399 5.485 1.00 10.24 C ATOM 335 CG2 VAL A 523 0.127 4.557 6.862 1.00 52.53 C ATOM 0 H VAL A 523 0.532 2.717 8.808 1.00 23.12 H new ATOM 0 HA VAL A 523 -2.151 3.569 8.122 1.00 4.34 H new ATOM 0 HB VAL A 523 0.076 2.485 6.361 1.00 21.11 H new ATOM 0 HG11 VAL A 523 -1.103 3.693 4.579 1.00 10.24 H new ATOM 0 HG12 VAL A 523 -2.132 2.444 5.320 1.00 10.24 H new ATOM 0 HG13 VAL A 523 -2.375 4.158 5.734 1.00 10.24 H new ATOM 0 HG21 VAL A 523 0.636 4.845 5.942 1.00 52.53 H new ATOM 0 HG22 VAL A 523 -0.568 5.344 7.154 1.00 52.53 H new ATOM 0 HG23 VAL A 523 0.863 4.411 7.653 1.00 52.53 H new ATOM 345 N LYS A 524 -3.282 1.430 7.607 1.00 73.52 N ATOM 346 CA LYS A 524 -4.029 0.196 7.506 1.00 13.31 C ATOM 347 C LYS A 524 -4.081 -0.357 6.096 1.00 13.21 C ATOM 348 O LYS A 524 -4.440 0.343 5.128 1.00 15.14 O ATOM 349 CB LYS A 524 -5.433 0.386 8.058 1.00 31.02 C ATOM 350 CG LYS A 524 -5.463 0.590 9.556 1.00 20.04 C ATOM 351 CD LYS A 524 -5.133 -0.699 10.273 1.00 52.11 C ATOM 352 CE LYS A 524 -5.166 -0.570 11.779 1.00 72.24 C ATOM 353 NZ LYS A 524 -6.470 -0.108 12.289 1.00 45.02 N ATOM 0 H LYS A 524 -3.862 2.267 7.550 1.00 73.52 H new ATOM 0 HA LYS A 524 -3.498 -0.543 8.105 1.00 13.31 H new ATOM 0 HB2 LYS A 524 -5.894 1.246 7.572 1.00 31.02 H new ATOM 0 HB3 LYS A 524 -6.037 -0.485 7.805 1.00 31.02 H new ATOM 0 HG2 LYS A 524 -4.748 1.363 9.838 1.00 20.04 H new ATOM 0 HG3 LYS A 524 -6.449 0.941 9.861 1.00 20.04 H new ATOM 0 HD2 LYS A 524 -5.840 -1.469 9.966 1.00 52.11 H new ATOM 0 HD3 LYS A 524 -4.143 -1.035 9.965 1.00 52.11 H new ATOM 0 HE2 LYS A 524 -4.928 -1.535 12.226 1.00 72.24 H new ATOM 0 HE3 LYS A 524 -4.390 0.127 12.096 1.00 72.24 H new ATOM 0 HZ1 LYS A 524 -6.490 -0.200 13.325 1.00 45.02 H new ATOM 0 HZ2 LYS A 524 -6.612 0.888 12.027 1.00 45.02 H new ATOM 0 HZ3 LYS A 524 -7.229 -0.686 11.876 1.00 45.02 H new ATOM 367 N VAL A 525 -3.720 -1.604 5.997 1.00 32.55 N ATOM 368 CA VAL A 525 -3.747 -2.342 4.750 1.00 24.20 C ATOM 369 C VAL A 525 -4.724 -3.475 4.908 1.00 25.44 C ATOM 370 O VAL A 525 -4.592 -4.292 5.834 1.00 51.23 O ATOM 371 CB VAL A 525 -2.366 -2.929 4.405 1.00 75.22 C ATOM 372 CG1 VAL A 525 -2.347 -3.534 3.005 1.00 33.21 C ATOM 373 CG2 VAL A 525 -1.315 -1.878 4.540 1.00 55.20 C ATOM 0 H VAL A 525 -3.391 -2.154 6.791 1.00 32.55 H new ATOM 0 HA VAL A 525 -4.035 -1.664 3.946 1.00 24.20 H new ATOM 0 HB VAL A 525 -2.155 -3.733 5.110 1.00 75.22 H new ATOM 0 HG11 VAL A 525 -1.356 -3.938 2.797 1.00 33.21 H new ATOM 0 HG12 VAL A 525 -3.085 -4.334 2.944 1.00 33.21 H new ATOM 0 HG13 VAL A 525 -2.586 -2.763 2.272 1.00 33.21 H new ATOM 0 HG21 VAL A 525 -0.342 -2.303 4.294 1.00 55.20 H new ATOM 0 HG22 VAL A 525 -1.534 -1.055 3.860 1.00 55.20 H new ATOM 0 HG23 VAL A 525 -1.300 -1.508 5.565 1.00 55.20 H new ATOM 383 N LEU A 526 -5.685 -3.526 4.039 1.00 14.40 N ATOM 384 CA LEU A 526 -6.719 -4.507 4.118 1.00 13.25 C ATOM 385 C LEU A 526 -6.228 -5.809 3.516 1.00 42.22 C ATOM 386 O LEU A 526 -5.480 -5.806 2.525 1.00 2.45 O ATOM 387 CB LEU A 526 -8.030 -4.024 3.449 1.00 74.44 C ATOM 388 CG LEU A 526 -8.652 -2.696 3.976 1.00 63.02 C ATOM 389 CD1 LEU A 526 -8.753 -2.648 5.488 1.00 15.51 C ATOM 390 CD2 LEU A 526 -7.929 -1.485 3.442 1.00 13.12 C ATOM 0 H LEU A 526 -5.774 -2.884 3.251 1.00 14.40 H new ATOM 0 HA LEU A 526 -6.959 -4.674 5.168 1.00 13.25 H new ATOM 0 HB2 LEU A 526 -7.842 -3.908 2.382 1.00 74.44 H new ATOM 0 HB3 LEU A 526 -8.775 -4.812 3.558 1.00 74.44 H new ATOM 0 HG LEU A 526 -9.672 -2.674 3.593 1.00 63.02 H new ATOM 0 HD11 LEU A 526 -9.194 -1.699 5.793 1.00 15.51 H new ATOM 0 HD12 LEU A 526 -9.380 -3.468 5.837 1.00 15.51 H new ATOM 0 HD13 LEU A 526 -7.758 -2.742 5.922 1.00 15.51 H new ATOM 0 HD21 LEU A 526 -8.395 -0.581 3.834 1.00 13.12 H new ATOM 0 HD22 LEU A 526 -6.885 -1.519 3.752 1.00 13.12 H new ATOM 0 HD23 LEU A 526 -7.984 -1.479 2.353 1.00 13.12 H new ATOM 402 N ARG A 527 -6.615 -6.895 4.132 1.00 15.02 N ATOM 403 CA ARG A 527 -6.169 -8.209 3.752 1.00 12.24 C ATOM 404 C ARG A 527 -7.056 -8.787 2.657 1.00 51.32 C ATOM 405 O ARG A 527 -8.176 -8.324 2.436 1.00 15.42 O ATOM 406 CB ARG A 527 -6.215 -9.145 4.971 1.00 44.42 C ATOM 407 CG ARG A 527 -5.541 -10.489 4.741 1.00 44.12 C ATOM 408 CD ARG A 527 -5.806 -11.462 5.852 1.00 50.54 C ATOM 409 NE ARG A 527 -7.205 -11.907 5.900 1.00 22.23 N ATOM 410 CZ ARG A 527 -7.625 -12.954 6.631 1.00 20.15 C ATOM 411 NH1 ARG A 527 -6.812 -13.496 7.546 1.00 21.41 N ATOM 412 NH2 ARG A 527 -8.858 -13.421 6.475 1.00 45.32 N ATOM 0 H ARG A 527 -7.258 -6.891 4.923 1.00 15.02 H new ATOM 0 HA ARG A 527 -5.149 -8.126 3.378 1.00 12.24 H new ATOM 0 HB2 ARG A 527 -5.737 -8.649 5.816 1.00 44.42 H new ATOM 0 HB3 ARG A 527 -7.256 -9.314 5.248 1.00 44.42 H new ATOM 0 HG2 ARG A 527 -5.893 -10.912 3.800 1.00 44.12 H new ATOM 0 HG3 ARG A 527 -4.466 -10.340 4.641 1.00 44.12 H new ATOM 0 HD2 ARG A 527 -5.158 -12.330 5.730 1.00 50.54 H new ATOM 0 HD3 ARG A 527 -5.544 -10.999 6.804 1.00 50.54 H new ATOM 0 HE ARG A 527 -7.894 -11.395 5.350 1.00 22.23 H new ATOM 0 HH11 ARG A 527 -5.877 -13.114 7.687 1.00 21.41 H new ATOM 0 HH12 ARG A 527 -7.128 -14.291 8.102 1.00 21.41 H new ATOM 0 HH21 ARG A 527 -9.487 -12.985 5.800 1.00 45.32 H new ATOM 0 HH22 ARG A 527 -9.176 -14.215 7.030 1.00 45.32 H new ATOM 426 N THR A 528 -6.528 -9.780 1.978 1.00 4.00 N ATOM 427 CA THR A 528 -7.240 -10.532 1.003 1.00 21.50 C ATOM 428 C THR A 528 -8.342 -11.363 1.667 1.00 33.41 C ATOM 429 O THR A 528 -8.170 -11.873 2.794 1.00 3.54 O ATOM 430 CB THR A 528 -6.274 -11.467 0.214 1.00 24.13 C ATOM 431 OG1 THR A 528 -7.001 -12.270 -0.716 1.00 11.51 O ATOM 432 CG2 THR A 528 -5.464 -12.367 1.140 1.00 22.44 C ATOM 0 H THR A 528 -5.563 -10.085 2.102 1.00 4.00 H new ATOM 0 HA THR A 528 -7.697 -9.832 0.304 1.00 21.50 H new ATOM 0 HB THR A 528 -5.578 -10.823 -0.324 1.00 24.13 H new ATOM 0 HG1 THR A 528 -6.863 -13.218 -0.508 1.00 11.51 H new ATOM 0 HG21 THR A 528 -4.805 -13.001 0.547 1.00 22.44 H new ATOM 0 HG22 THR A 528 -4.867 -11.753 1.814 1.00 22.44 H new ATOM 0 HG23 THR A 528 -6.140 -12.992 1.723 1.00 22.44 H new ATOM 440 N SER A 529 -9.462 -11.460 0.981 1.00 12.41 N ATOM 441 CA SER A 529 -10.588 -12.249 1.404 1.00 1.31 C ATOM 442 C SER A 529 -10.174 -13.735 1.436 1.00 12.44 C ATOM 443 O SER A 529 -10.548 -14.494 2.347 1.00 73.32 O ATOM 444 CB SER A 529 -11.743 -12.012 0.414 1.00 1.40 C ATOM 445 OG SER A 529 -12.964 -12.608 0.849 1.00 43.31 O ATOM 0 H SER A 529 -9.613 -10.979 0.094 1.00 12.41 H new ATOM 0 HA SER A 529 -10.916 -11.965 2.404 1.00 1.31 H new ATOM 0 HB2 SER A 529 -11.892 -10.940 0.283 1.00 1.40 H new ATOM 0 HB3 SER A 529 -11.471 -12.417 -0.561 1.00 1.40 H new ATOM 0 HG SER A 529 -13.668 -12.430 0.191 1.00 43.31 H new ATOM 451 N GLY A 530 -9.386 -14.128 0.459 1.00 10.50 N ATOM 452 CA GLY A 530 -8.877 -15.464 0.402 1.00 21.22 C ATOM 453 C GLY A 530 -7.457 -15.505 0.904 1.00 24.32 C ATOM 454 O GLY A 530 -6.511 -15.456 0.118 1.00 51.34 O ATOM 0 H GLY A 530 -9.087 -13.528 -0.310 1.00 10.50 H new ATOM 0 HA2 GLY A 530 -9.502 -16.124 1.004 1.00 21.22 H new ATOM 0 HA3 GLY A 530 -8.918 -15.833 -0.623 1.00 21.22 H new ATOM 458 N ALA A 531 -7.305 -15.515 2.209 1.00 64.42 N ATOM 459 CA ALA A 531 -5.997 -15.588 2.818 1.00 42.50 C ATOM 460 C ALA A 531 -5.664 -17.025 3.108 1.00 72.52 C ATOM 461 O ALA A 531 -6.274 -17.650 3.977 1.00 33.02 O ATOM 462 CB ALA A 531 -5.952 -14.771 4.092 1.00 70.13 C ATOM 0 H ALA A 531 -8.078 -15.473 2.873 1.00 64.42 H new ATOM 0 HA ALA A 531 -5.260 -15.176 2.128 1.00 42.50 H new ATOM 0 HB1 ALA A 531 -4.958 -14.840 4.534 1.00 70.13 H new ATOM 0 HB2 ALA A 531 -6.176 -13.729 3.864 1.00 70.13 H new ATOM 0 HB3 ALA A 531 -6.690 -15.155 4.797 1.00 70.13 H new ATOM 468 N ARG A 532 -4.760 -17.576 2.352 1.00 1.20 N ATOM 469 CA ARG A 532 -4.384 -18.951 2.533 1.00 31.43 C ATOM 470 C ARG A 532 -2.925 -19.063 2.869 1.00 72.13 C ATOM 471 O ARG A 532 -2.060 -18.742 2.050 1.00 44.41 O ATOM 472 CB ARG A 532 -4.719 -19.792 1.288 1.00 62.55 C ATOM 473 CG ARG A 532 -6.183 -19.721 0.884 1.00 0.44 C ATOM 474 CD ARG A 532 -7.085 -20.134 2.032 1.00 43.05 C ATOM 475 NE ARG A 532 -8.492 -19.897 1.736 1.00 55.31 N ATOM 476 CZ ARG A 532 -9.365 -19.344 2.589 1.00 24.04 C ATOM 477 NH1 ARG A 532 -8.948 -18.824 3.752 1.00 13.10 N ATOM 478 NH2 ARG A 532 -10.643 -19.268 2.262 1.00 72.32 N ATOM 0 H ARG A 532 -4.267 -17.094 1.601 1.00 1.20 H new ATOM 0 HA ARG A 532 -4.963 -19.346 3.368 1.00 31.43 H new ATOM 0 HB2 ARG A 532 -4.103 -19.454 0.454 1.00 62.55 H new ATOM 0 HB3 ARG A 532 -4.453 -20.832 1.479 1.00 62.55 H new ATOM 0 HG2 ARG A 532 -6.429 -18.706 0.571 1.00 0.44 H new ATOM 0 HG3 ARG A 532 -6.359 -20.371 0.027 1.00 0.44 H new ATOM 0 HD2 ARG A 532 -6.934 -21.191 2.249 1.00 43.05 H new ATOM 0 HD3 ARG A 532 -6.806 -19.581 2.929 1.00 43.05 H new ATOM 0 HE ARG A 532 -8.836 -20.171 0.816 1.00 55.31 H new ATOM 0 HH11 ARG A 532 -7.958 -18.847 3.995 1.00 13.10 H new ATOM 0 HH12 ARG A 532 -9.621 -18.405 4.394 1.00 13.10 H new ATOM 0 HH21 ARG A 532 -10.962 -19.630 1.363 1.00 72.32 H new ATOM 0 HH22 ARG A 532 -11.311 -18.848 2.909 1.00 72.32 H new ATOM 492 N GLY A 533 -2.653 -19.450 4.083 1.00 74.42 N ATOM 493 CA GLY A 533 -1.302 -19.685 4.473 1.00 40.03 C ATOM 494 C GLY A 533 -0.616 -18.468 5.014 1.00 10.52 C ATOM 495 O GLY A 533 -1.114 -17.805 5.919 1.00 21.33 O ATOM 0 H GLY A 533 -3.348 -19.607 4.813 1.00 74.42 H new ATOM 0 HA2 GLY A 533 -1.282 -20.470 5.229 1.00 40.03 H new ATOM 0 HA3 GLY A 533 -0.743 -20.055 3.614 1.00 40.03 H new ATOM 499 N ASN A 534 0.511 -18.169 4.439 1.00 63.43 N ATOM 500 CA ASN A 534 1.341 -17.070 4.842 1.00 32.42 C ATOM 501 C ASN A 534 1.806 -16.349 3.602 1.00 60.23 C ATOM 502 O ASN A 534 2.364 -16.968 2.691 1.00 53.41 O ATOM 503 CB ASN A 534 2.541 -17.606 5.647 1.00 44.02 C ATOM 504 CG ASN A 534 3.548 -16.543 6.106 1.00 41.24 C ATOM 505 OD1 ASN A 534 3.105 -15.341 6.375 1.00 63.22 O flip ATOM 506 ND2 ASN A 534 4.738 -16.824 6.233 1.00 61.03 N flip ATOM 0 H ASN A 534 0.890 -18.698 3.654 1.00 63.43 H new ATOM 0 HA ASN A 534 0.787 -16.377 5.475 1.00 32.42 H new ATOM 0 HB2 ASN A 534 2.164 -18.129 6.526 1.00 44.02 H new ATOM 0 HB3 ASN A 534 3.066 -18.342 5.039 1.00 44.02 H new ATOM 0 HD21 ASN A 534 5.065 -17.766 6.019 1.00 61.03 H new ATOM 0 HD22 ASN A 534 5.398 -16.115 6.553 1.00 61.03 H new ATOM 513 N VAL A 535 1.538 -15.074 3.542 1.00 32.35 N ATOM 514 CA VAL A 535 1.892 -14.258 2.415 1.00 72.33 C ATOM 515 C VAL A 535 2.713 -13.084 2.887 1.00 43.52 C ATOM 516 O VAL A 535 2.317 -12.353 3.796 1.00 75.41 O ATOM 517 CB VAL A 535 0.638 -13.760 1.637 1.00 3.43 C ATOM 518 CG1 VAL A 535 1.030 -12.885 0.456 1.00 12.01 C ATOM 519 CG2 VAL A 535 -0.153 -14.940 1.141 1.00 54.24 C ATOM 0 H VAL A 535 1.060 -14.565 4.286 1.00 32.35 H new ATOM 0 HA VAL A 535 2.476 -14.868 1.726 1.00 72.33 H new ATOM 0 HB VAL A 535 0.033 -13.164 2.320 1.00 3.43 H new ATOM 0 HG11 VAL A 535 0.132 -12.554 -0.066 1.00 12.01 H new ATOM 0 HG12 VAL A 535 1.582 -12.016 0.814 1.00 12.01 H new ATOM 0 HG13 VAL A 535 1.657 -13.457 -0.228 1.00 12.01 H new ATOM 0 HG21 VAL A 535 -1.030 -14.588 0.597 1.00 54.24 H new ATOM 0 HG22 VAL A 535 0.468 -15.541 0.477 1.00 54.24 H new ATOM 0 HG23 VAL A 535 -0.472 -15.547 1.989 1.00 54.24 H new ATOM 529 N ILE A 536 3.853 -12.938 2.308 1.00 50.31 N ATOM 530 CA ILE A 536 4.748 -11.874 2.650 1.00 53.34 C ATOM 531 C ILE A 536 4.630 -10.778 1.618 1.00 44.03 C ATOM 532 O ILE A 536 4.747 -11.036 0.418 1.00 4.21 O ATOM 533 CB ILE A 536 6.203 -12.392 2.771 1.00 53.34 C ATOM 534 CG1 ILE A 536 6.313 -13.383 3.930 1.00 35.12 C ATOM 535 CG2 ILE A 536 7.179 -11.262 2.954 1.00 54.22 C ATOM 536 CD1 ILE A 536 5.861 -12.812 5.258 1.00 5.10 C ATOM 0 H ILE A 536 4.200 -13.557 1.575 1.00 50.31 H new ATOM 0 HA ILE A 536 4.476 -11.468 3.624 1.00 53.34 H new ATOM 0 HB ILE A 536 6.457 -12.900 1.840 1.00 53.34 H new ATOM 0 HG12 ILE A 536 5.716 -14.266 3.701 1.00 35.12 H new ATOM 0 HG13 ILE A 536 7.348 -13.713 4.019 1.00 35.12 H new ATOM 0 HG21 ILE A 536 8.189 -11.663 3.035 1.00 54.22 H new ATOM 0 HG22 ILE A 536 7.123 -10.591 2.097 1.00 54.22 H new ATOM 0 HG23 ILE A 536 6.933 -10.712 3.862 1.00 54.22 H new ATOM 0 HD11 ILE A 536 5.966 -13.570 6.035 1.00 5.10 H new ATOM 0 HD12 ILE A 536 6.474 -11.947 5.510 1.00 5.10 H new ATOM 0 HD13 ILE A 536 4.817 -12.508 5.187 1.00 5.10 H new ATOM 548 N VAL A 537 4.355 -9.579 2.075 1.00 44.13 N ATOM 549 CA VAL A 537 4.135 -8.461 1.182 1.00 61.24 C ATOM 550 C VAL A 537 5.206 -7.380 1.392 1.00 41.05 C ATOM 551 O VAL A 537 5.264 -6.764 2.456 1.00 61.14 O ATOM 552 CB VAL A 537 2.726 -7.831 1.393 1.00 3.32 C ATOM 553 CG1 VAL A 537 2.440 -6.756 0.352 1.00 42.30 C ATOM 554 CG2 VAL A 537 1.636 -8.898 1.385 1.00 4.42 C ATOM 0 H VAL A 537 4.278 -9.350 3.066 1.00 44.13 H new ATOM 0 HA VAL A 537 4.198 -8.846 0.164 1.00 61.24 H new ATOM 0 HB VAL A 537 2.723 -7.357 2.374 1.00 3.32 H new ATOM 0 HG11 VAL A 537 1.450 -6.335 0.526 1.00 42.30 H new ATOM 0 HG12 VAL A 537 3.188 -5.967 0.429 1.00 42.30 H new ATOM 0 HG13 VAL A 537 2.478 -7.196 -0.645 1.00 42.30 H new ATOM 0 HG21 VAL A 537 0.665 -8.427 1.535 1.00 4.42 H new ATOM 0 HG22 VAL A 537 1.643 -9.418 0.427 1.00 4.42 H new ATOM 0 HG23 VAL A 537 1.820 -9.612 2.187 1.00 4.42 H new ATOM 564 N PRO A 538 6.079 -7.166 0.405 1.00 1.12 N ATOM 565 CA PRO A 538 7.106 -6.133 0.478 1.00 30.41 C ATOM 566 C PRO A 538 6.531 -4.734 0.290 1.00 33.04 C ATOM 567 O PRO A 538 5.648 -4.516 -0.545 1.00 44.32 O ATOM 568 CB PRO A 538 8.062 -6.472 -0.666 1.00 70.31 C ATOM 569 CG PRO A 538 7.276 -7.303 -1.616 1.00 24.00 C ATOM 570 CD PRO A 538 6.141 -7.925 -0.847 1.00 74.31 C ATOM 0 HA PRO A 538 7.589 -6.120 1.455 1.00 30.41 H new ATOM 0 HB2 PRO A 538 8.430 -5.567 -1.150 1.00 70.31 H new ATOM 0 HB3 PRO A 538 8.934 -7.015 -0.300 1.00 70.31 H new ATOM 0 HG2 PRO A 538 6.894 -6.692 -2.434 1.00 24.00 H new ATOM 0 HG3 PRO A 538 7.905 -8.074 -2.061 1.00 24.00 H new ATOM 0 HD2 PRO A 538 5.204 -7.855 -1.399 1.00 74.31 H new ATOM 0 HD3 PRO A 538 6.323 -8.983 -0.660 1.00 74.31 H new ATOM 578 N TYR A 539 7.037 -3.805 1.047 1.00 52.15 N ATOM 579 CA TYR A 539 6.599 -2.437 1.005 1.00 21.41 C ATOM 580 C TYR A 539 7.813 -1.554 1.153 1.00 11.02 C ATOM 581 O TYR A 539 8.832 -1.986 1.715 1.00 52.03 O ATOM 582 CB TYR A 539 5.596 -2.140 2.141 1.00 24.25 C ATOM 583 CG TYR A 539 6.190 -2.215 3.533 1.00 12.34 C ATOM 584 CD1 TYR A 539 6.271 -3.416 4.202 1.00 62.10 C ATOM 585 CD2 TYR A 539 6.687 -1.078 4.167 1.00 54.42 C ATOM 586 CE1 TYR A 539 6.824 -3.496 5.454 1.00 14.41 C ATOM 587 CE2 TYR A 539 7.249 -1.150 5.417 1.00 25.21 C ATOM 588 CZ TYR A 539 7.314 -2.367 6.056 1.00 11.02 C ATOM 589 OH TYR A 539 7.878 -2.459 7.295 1.00 11.41 O ATOM 0 H TYR A 539 7.780 -3.978 1.724 1.00 52.15 H new ATOM 0 HA TYR A 539 6.094 -2.246 0.058 1.00 21.41 H new ATOM 0 HB2 TYR A 539 5.178 -1.145 1.990 1.00 24.25 H new ATOM 0 HB3 TYR A 539 4.769 -2.846 2.073 1.00 24.25 H new ATOM 0 HD1 TYR A 539 5.892 -4.311 3.732 1.00 62.10 H new ATOM 0 HD2 TYR A 539 6.629 -0.123 3.666 1.00 54.42 H new ATOM 0 HE1 TYR A 539 6.873 -4.447 5.964 1.00 14.41 H new ATOM 0 HE2 TYR A 539 7.636 -0.262 5.894 1.00 25.21 H new ATOM 0 HH TYR A 539 8.178 -1.572 7.584 1.00 11.41 H new ATOM 599 N LYS A 540 7.718 -0.352 0.679 1.00 41.33 N ATOM 600 CA LYS A 540 8.810 0.577 0.777 1.00 0.24 C ATOM 601 C LYS A 540 8.305 1.998 0.738 1.00 11.42 C ATOM 602 O LYS A 540 7.190 2.267 0.249 1.00 23.43 O ATOM 603 CB LYS A 540 9.799 0.361 -0.368 1.00 51.03 C ATOM 604 CG LYS A 540 9.182 0.530 -1.735 1.00 44.23 C ATOM 605 CD LYS A 540 10.203 0.382 -2.825 1.00 51.13 C ATOM 606 CE LYS A 540 9.541 0.523 -4.175 1.00 0.32 C ATOM 607 NZ LYS A 540 10.481 0.359 -5.300 1.00 63.21 N ATOM 0 H LYS A 540 6.888 0.016 0.215 1.00 41.33 H new ATOM 0 HA LYS A 540 9.314 0.403 1.727 1.00 0.24 H new ATOM 0 HB2 LYS A 540 10.625 1.064 -0.261 1.00 51.03 H new ATOM 0 HB3 LYS A 540 10.221 -0.641 -0.290 1.00 51.03 H new ATOM 0 HG2 LYS A 540 8.393 -0.209 -1.872 1.00 44.23 H new ATOM 0 HG3 LYS A 540 8.714 1.512 -1.805 1.00 44.23 H new ATOM 0 HD2 LYS A 540 10.981 1.137 -2.711 1.00 51.13 H new ATOM 0 HD3 LYS A 540 10.690 -0.590 -2.749 1.00 51.13 H new ATOM 0 HE2 LYS A 540 8.746 -0.218 -4.262 1.00 0.32 H new ATOM 0 HE3 LYS A 540 9.071 1.504 -4.242 1.00 0.32 H new ATOM 0 HZ1 LYS A 540 9.969 0.466 -6.199 1.00 63.21 H new ATOM 0 HZ2 LYS A 540 11.226 1.082 -5.238 1.00 63.21 H new ATOM 0 HZ3 LYS A 540 10.911 -0.587 -5.258 1.00 63.21 H new ATOM 621 N THR A 541 9.104 2.881 1.256 1.00 44.43 N ATOM 622 CA THR A 541 8.857 4.283 1.210 1.00 53.13 C ATOM 623 C THR A 541 9.594 4.873 0.013 1.00 74.11 C ATOM 624 O THR A 541 10.790 4.640 -0.163 1.00 22.40 O ATOM 625 CB THR A 541 9.351 4.959 2.514 1.00 61.21 C ATOM 626 OG1 THR A 541 10.560 4.327 2.956 1.00 50.31 O ATOM 627 CG2 THR A 541 8.330 4.870 3.624 1.00 12.30 C ATOM 0 H THR A 541 9.970 2.635 1.735 1.00 44.43 H new ATOM 0 HA THR A 541 7.786 4.460 1.113 1.00 53.13 H new ATOM 0 HB THR A 541 9.521 6.011 2.287 1.00 61.21 H new ATOM 0 HG1 THR A 541 11.261 4.455 2.283 1.00 50.31 H new ATOM 0 HG21 THR A 541 8.721 5.357 4.517 1.00 12.30 H new ATOM 0 HG22 THR A 541 7.410 5.366 3.313 1.00 12.30 H new ATOM 0 HG23 THR A 541 8.121 3.823 3.843 1.00 12.30 H new ATOM 635 N ILE A 542 8.882 5.542 -0.837 1.00 22.13 N ATOM 636 CA ILE A 542 9.475 6.233 -1.954 1.00 24.33 C ATOM 637 C ILE A 542 9.719 7.653 -1.493 1.00 1.22 C ATOM 638 O ILE A 542 8.802 8.277 -0.962 1.00 14.31 O ATOM 639 CB ILE A 542 8.561 6.243 -3.241 1.00 40.42 C ATOM 640 CG1 ILE A 542 8.303 4.827 -3.813 1.00 65.30 C ATOM 641 CG2 ILE A 542 9.139 7.137 -4.328 1.00 60.45 C ATOM 642 CD1 ILE A 542 7.320 3.982 -3.033 1.00 1.33 C ATOM 0 H ILE A 542 7.867 5.629 -0.782 1.00 22.13 H new ATOM 0 HA ILE A 542 10.391 5.719 -2.246 1.00 24.33 H new ATOM 0 HB ILE A 542 7.602 6.646 -2.916 1.00 40.42 H new ATOM 0 HG12 ILE A 542 7.939 4.927 -4.835 1.00 65.30 H new ATOM 0 HG13 ILE A 542 9.253 4.295 -3.864 1.00 65.30 H new ATOM 0 HG21 ILE A 542 8.484 7.120 -5.199 1.00 60.45 H new ATOM 0 HG22 ILE A 542 9.220 8.158 -3.955 1.00 60.45 H new ATOM 0 HG23 ILE A 542 10.127 6.774 -4.610 1.00 60.45 H new ATOM 0 HD11 ILE A 542 7.211 3.011 -3.517 1.00 1.33 H new ATOM 0 HD12 ILE A 542 7.687 3.842 -2.016 1.00 1.33 H new ATOM 0 HD13 ILE A 542 6.353 4.483 -3.003 1.00 1.33 H new ATOM 654 N GLU A 543 10.944 8.144 -1.669 1.00 14.31 N ATOM 655 CA GLU A 543 11.336 9.479 -1.193 1.00 1.32 C ATOM 656 C GLU A 543 10.451 10.561 -1.788 1.00 4.32 C ATOM 657 O GLU A 543 9.908 11.406 -1.070 1.00 11.35 O ATOM 658 CB GLU A 543 12.801 9.757 -1.522 1.00 22.10 C ATOM 659 CG GLU A 543 13.760 8.732 -0.947 1.00 44.11 C ATOM 660 CD GLU A 543 15.186 9.007 -1.318 1.00 63.32 C ATOM 661 OE1 GLU A 543 15.554 8.811 -2.492 1.00 61.34 O ATOM 662 OE2 GLU A 543 15.973 9.412 -0.446 1.00 43.11 O ATOM 0 H GLU A 543 11.692 7.636 -2.141 1.00 14.31 H new ATOM 0 HA GLU A 543 11.208 9.495 -0.111 1.00 1.32 H new ATOM 0 HB2 GLU A 543 12.922 9.787 -2.605 1.00 22.10 H new ATOM 0 HB3 GLU A 543 13.068 10.744 -1.144 1.00 22.10 H new ATOM 0 HG2 GLU A 543 13.666 8.721 0.139 1.00 44.11 H new ATOM 0 HG3 GLU A 543 13.481 7.740 -1.301 1.00 44.11 H new ATOM 669 N GLY A 544 10.303 10.521 -3.093 1.00 61.41 N ATOM 670 CA GLY A 544 9.468 11.467 -3.774 1.00 2.04 C ATOM 671 C GLY A 544 10.055 12.855 -3.753 1.00 23.23 C ATOM 672 O GLY A 544 10.994 13.156 -4.496 1.00 63.43 O ATOM 0 H GLY A 544 10.755 9.838 -3.701 1.00 61.41 H new ATOM 0 HA2 GLY A 544 9.327 11.149 -4.807 1.00 2.04 H new ATOM 0 HA3 GLY A 544 8.483 11.483 -3.308 1.00 2.04 H new ATOM 676 N THR A 545 9.536 13.676 -2.883 1.00 61.10 N ATOM 677 CA THR A 545 9.983 15.037 -2.751 1.00 5.54 C ATOM 678 C THR A 545 10.374 15.306 -1.275 1.00 12.35 C ATOM 679 O THR A 545 10.561 16.443 -0.840 1.00 52.41 O ATOM 680 CB THR A 545 8.883 16.030 -3.284 1.00 54.23 C ATOM 681 OG1 THR A 545 9.301 17.400 -3.191 1.00 25.41 O ATOM 682 CG2 THR A 545 7.564 15.843 -2.557 1.00 10.14 C ATOM 0 H THR A 545 8.786 13.419 -2.241 1.00 61.10 H new ATOM 0 HA THR A 545 10.870 15.203 -3.362 1.00 5.54 H new ATOM 0 HB THR A 545 8.739 15.790 -4.338 1.00 54.23 H new ATOM 0 HG1 THR A 545 9.848 17.521 -2.387 1.00 25.41 H new ATOM 0 HG21 THR A 545 6.829 16.545 -2.951 1.00 10.14 H new ATOM 0 HG22 THR A 545 7.208 14.823 -2.705 1.00 10.14 H new ATOM 0 HG23 THR A 545 7.706 16.026 -1.492 1.00 10.14 H new ATOM 690 N ALA A 546 10.523 14.243 -0.525 1.00 14.03 N ATOM 691 CA ALA A 546 10.949 14.335 0.845 1.00 42.43 C ATOM 692 C ALA A 546 12.279 13.624 0.973 1.00 24.24 C ATOM 693 O ALA A 546 12.594 12.740 0.164 1.00 34.12 O ATOM 694 CB ALA A 546 9.909 13.727 1.768 1.00 24.24 C ATOM 0 H ALA A 546 10.352 13.291 -0.849 1.00 14.03 H new ATOM 0 HA ALA A 546 11.064 15.379 1.136 1.00 42.43 H new ATOM 0 HB1 ALA A 546 10.249 13.806 2.801 1.00 24.24 H new ATOM 0 HB2 ALA A 546 8.965 14.261 1.655 1.00 24.24 H new ATOM 0 HB3 ALA A 546 9.765 12.677 1.512 1.00 24.24 H new ATOM 700 N ARG A 547 13.081 14.023 1.922 1.00 62.20 N ATOM 701 CA ARG A 547 14.364 13.434 2.094 1.00 4.22 C ATOM 702 C ARG A 547 14.296 12.235 3.029 1.00 5.34 C ATOM 703 O ARG A 547 13.758 12.322 4.148 1.00 24.11 O ATOM 704 CB ARG A 547 15.265 14.459 2.632 1.00 32.54 C ATOM 705 CG ARG A 547 16.688 14.101 2.514 1.00 64.32 C ATOM 706 CD ARG A 547 17.465 15.332 2.638 1.00 42.02 C ATOM 707 NE ARG A 547 17.185 16.059 3.903 1.00 43.24 N ATOM 708 CZ ARG A 547 17.877 17.106 4.365 1.00 53.51 C ATOM 709 NH1 ARG A 547 18.949 17.530 3.714 1.00 32.50 N ATOM 710 NH2 ARG A 547 17.495 17.710 5.490 1.00 73.22 N ATOM 0 H ARG A 547 12.858 14.761 2.590 1.00 62.20 H new ATOM 0 HA ARG A 547 14.735 13.072 1.135 1.00 4.22 H new ATOM 0 HB2 ARG A 547 15.089 15.399 2.109 1.00 32.54 H new ATOM 0 HB3 ARG A 547 15.026 14.629 3.682 1.00 32.54 H new ATOM 0 HG2 ARG A 547 16.970 13.390 3.291 1.00 64.32 H new ATOM 0 HG3 ARG A 547 16.884 13.620 1.556 1.00 64.32 H new ATOM 0 HD2 ARG A 547 18.527 15.093 2.588 1.00 42.02 H new ATOM 0 HD3 ARG A 547 17.244 15.983 1.792 1.00 42.02 H new ATOM 0 HE ARG A 547 16.400 15.732 4.466 1.00 43.24 H new ATOM 0 HH11 ARG A 547 19.247 17.058 2.860 1.00 32.50 H new ATOM 0 HH12 ARG A 547 19.477 18.329 4.066 1.00 32.50 H new ATOM 0 HH21 ARG A 547 16.676 17.374 5.997 1.00 73.22 H new ATOM 0 HH22 ARG A 547 18.021 18.509 5.844 1.00 73.22 H new ATOM 724 N GLY A 548 14.858 11.142 2.603 1.00 11.34 N ATOM 725 CA GLY A 548 14.766 9.918 3.361 1.00 73.24 C ATOM 726 C GLY A 548 15.964 9.682 4.229 1.00 43.01 C ATOM 727 O GLY A 548 16.853 10.529 4.310 1.00 53.22 O ATOM 0 H GLY A 548 15.387 11.068 1.734 1.00 11.34 H new ATOM 0 HA2 GLY A 548 13.872 9.948 3.984 1.00 73.24 H new ATOM 0 HA3 GLY A 548 14.649 9.079 2.675 1.00 73.24 H new ATOM 731 N GLY A 549 15.983 8.558 4.902 1.00 53.34 N ATOM 732 CA GLY A 549 17.112 8.208 5.729 1.00 5.43 C ATOM 733 C GLY A 549 17.088 8.885 7.076 1.00 64.45 C ATOM 734 O GLY A 549 18.131 9.122 7.675 1.00 31.24 O ATOM 0 H GLY A 549 15.230 7.870 4.894 1.00 53.34 H new ATOM 0 HA2 GLY A 549 17.130 7.128 5.872 1.00 5.43 H new ATOM 0 HA3 GLY A 549 18.032 8.476 5.210 1.00 5.43 H new ATOM 738 N GLY A 550 15.908 9.222 7.547 1.00 11.03 N ATOM 739 CA GLY A 550 15.780 9.831 8.848 1.00 21.04 C ATOM 740 C GLY A 550 15.807 11.343 8.797 1.00 52.24 C ATOM 741 O GLY A 550 15.922 11.987 9.829 1.00 74.34 O ATOM 0 H GLY A 550 15.028 9.085 7.050 1.00 11.03 H new ATOM 0 HA2 GLY A 550 14.846 9.505 9.306 1.00 21.04 H new ATOM 0 HA3 GLY A 550 16.589 9.480 9.489 1.00 21.04 H new ATOM 745 N GLU A 551 15.709 11.910 7.609 1.00 14.14 N ATOM 746 CA GLU A 551 15.738 13.365 7.463 1.00 31.25 C ATOM 747 C GLU A 551 14.337 13.932 7.572 1.00 54.40 C ATOM 748 O GLU A 551 13.992 14.586 8.548 1.00 33.25 O ATOM 749 CB GLU A 551 16.332 13.731 6.120 1.00 53.03 C ATOM 750 CG GLU A 551 17.739 13.227 5.904 1.00 42.20 C ATOM 751 CD GLU A 551 18.785 13.976 6.694 1.00 52.42 C ATOM 752 OE1 GLU A 551 18.667 14.087 7.923 1.00 2.44 O ATOM 753 OE2 GLU A 551 19.771 14.440 6.089 1.00 33.14 O ATOM 0 H GLU A 551 15.609 11.396 6.734 1.00 14.14 H new ATOM 0 HA GLU A 551 16.352 13.786 8.259 1.00 31.25 H new ATOM 0 HB2 GLU A 551 15.692 13.334 5.332 1.00 53.03 H new ATOM 0 HB3 GLU A 551 16.328 14.816 6.018 1.00 53.03 H new ATOM 0 HG2 GLU A 551 17.782 12.171 6.173 1.00 42.20 H new ATOM 0 HG3 GLU A 551 17.980 13.296 4.843 1.00 42.20 H new ATOM 760 N ASP A 552 13.536 13.672 6.560 1.00 74.23 N ATOM 761 CA ASP A 552 12.132 14.057 6.592 1.00 62.10 C ATOM 762 C ASP A 552 11.314 12.855 6.981 1.00 72.11 C ATOM 763 O ASP A 552 10.227 12.978 7.545 1.00 54.11 O ATOM 764 CB ASP A 552 11.623 14.631 5.244 1.00 32.01 C ATOM 765 CG ASP A 552 12.186 15.999 4.887 1.00 12.24 C ATOM 766 OD1 ASP A 552 11.763 17.026 5.500 1.00 2.31 O ATOM 767 OD2 ASP A 552 13.024 16.099 3.992 1.00 32.30 O ATOM 0 H ASP A 552 13.827 13.197 5.705 1.00 74.23 H new ATOM 0 HA ASP A 552 12.025 14.858 7.323 1.00 62.10 H new ATOM 0 HB2 ASP A 552 11.873 13.930 4.448 1.00 32.01 H new ATOM 0 HB3 ASP A 552 10.536 14.698 5.280 1.00 32.01 H new ATOM 772 N PHE A 553 11.841 11.683 6.674 1.00 35.50 N ATOM 773 CA PHE A 553 11.214 10.443 7.051 1.00 24.42 C ATOM 774 C PHE A 553 12.255 9.370 7.224 1.00 32.44 C ATOM 775 O PHE A 553 13.352 9.448 6.636 1.00 14.25 O ATOM 776 CB PHE A 553 10.184 9.982 6.014 1.00 13.33 C ATOM 777 CG PHE A 553 10.736 9.509 4.688 1.00 1.52 C ATOM 778 CD1 PHE A 553 11.020 10.400 3.672 1.00 1.33 C ATOM 779 CD2 PHE A 553 10.933 8.162 4.462 1.00 15.04 C ATOM 780 CE1 PHE A 553 11.486 9.953 2.454 1.00 15.24 C ATOM 781 CE2 PHE A 553 11.407 7.707 3.254 1.00 22.10 C ATOM 782 CZ PHE A 553 11.681 8.600 2.248 1.00 13.24 C ATOM 0 H PHE A 553 12.713 11.571 6.158 1.00 35.50 H new ATOM 0 HA PHE A 553 10.694 10.617 7.993 1.00 24.42 H new ATOM 0 HB2 PHE A 553 9.598 9.172 6.450 1.00 13.33 H new ATOM 0 HB3 PHE A 553 9.497 10.806 5.824 1.00 13.33 H new ATOM 0 HD1 PHE A 553 10.876 11.458 3.833 1.00 1.33 H new ATOM 0 HD2 PHE A 553 10.711 7.454 5.247 1.00 15.04 H new ATOM 0 HE1 PHE A 553 11.698 10.658 1.663 1.00 15.24 H new ATOM 0 HE2 PHE A 553 11.563 6.650 3.097 1.00 22.10 H new ATOM 0 HZ PHE A 553 12.049 8.246 1.296 1.00 13.24 H new ATOM 792 N GLU A 554 11.935 8.408 8.027 1.00 15.24 N ATOM 793 CA GLU A 554 12.745 7.245 8.230 1.00 5.13 C ATOM 794 C GLU A 554 12.312 6.263 7.129 1.00 4.11 C ATOM 795 O GLU A 554 11.111 6.040 6.938 1.00 3.15 O ATOM 796 CB GLU A 554 12.437 6.729 9.642 1.00 75.00 C ATOM 797 CG GLU A 554 13.413 5.742 10.262 1.00 62.04 C ATOM 798 CD GLU A 554 13.455 4.406 9.597 1.00 14.42 C ATOM 799 OE1 GLU A 554 12.662 3.519 9.965 1.00 54.05 O ATOM 800 OE2 GLU A 554 14.283 4.209 8.722 1.00 52.12 O ATOM 0 H GLU A 554 11.077 8.407 8.578 1.00 15.24 H new ATOM 0 HA GLU A 554 13.820 7.412 8.166 1.00 5.13 H new ATOM 0 HB2 GLU A 554 12.364 7.591 10.306 1.00 75.00 H new ATOM 0 HB3 GLU A 554 11.454 6.260 9.620 1.00 75.00 H new ATOM 0 HG2 GLU A 554 14.412 6.176 10.238 1.00 62.04 H new ATOM 0 HG3 GLU A 554 13.151 5.603 11.311 1.00 62.04 H new ATOM 807 N ASP A 555 13.262 5.720 6.400 1.00 54.25 N ATOM 808 CA ASP A 555 12.944 4.911 5.223 1.00 40.41 C ATOM 809 C ASP A 555 12.693 3.476 5.603 1.00 4.43 C ATOM 810 O ASP A 555 13.603 2.759 6.035 1.00 71.30 O ATOM 811 CB ASP A 555 14.052 5.004 4.166 1.00 5.10 C ATOM 812 CG ASP A 555 13.743 4.187 2.921 1.00 20.34 C ATOM 813 OD1 ASP A 555 12.997 4.682 2.053 1.00 42.33 O ATOM 814 OD2 ASP A 555 14.250 3.040 2.780 1.00 41.10 O ATOM 0 H ASP A 555 14.259 5.818 6.592 1.00 54.25 H new ATOM 0 HA ASP A 555 12.029 5.313 4.788 1.00 40.41 H new ATOM 0 HB2 ASP A 555 14.194 6.048 3.885 1.00 5.10 H new ATOM 0 HB3 ASP A 555 14.991 4.659 4.598 1.00 5.10 H new ATOM 819 N THR A 556 11.482 3.049 5.432 1.00 74.54 N ATOM 820 CA THR A 556 11.105 1.739 5.811 1.00 32.53 C ATOM 821 C THR A 556 10.799 0.884 4.570 1.00 34.32 C ATOM 822 O THR A 556 9.799 1.067 3.870 1.00 12.51 O ATOM 823 CB THR A 556 9.942 1.752 6.871 1.00 64.12 C ATOM 824 OG1 THR A 556 9.624 0.435 7.346 1.00 50.12 O ATOM 825 CG2 THR A 556 8.681 2.411 6.349 1.00 55.22 C ATOM 0 H THR A 556 10.731 3.606 5.024 1.00 74.54 H new ATOM 0 HA THR A 556 11.947 1.265 6.314 1.00 32.53 H new ATOM 0 HB THR A 556 10.322 2.346 7.702 1.00 64.12 H new ATOM 0 HG1 THR A 556 8.899 0.490 8.003 1.00 50.12 H new ATOM 0 HG21 THR A 556 7.913 2.391 7.122 1.00 55.22 H new ATOM 0 HG22 THR A 556 8.896 3.445 6.078 1.00 55.22 H new ATOM 0 HG23 THR A 556 8.325 1.872 5.471 1.00 55.22 H new ATOM 833 N CYS A 557 11.715 0.022 4.266 1.00 74.21 N ATOM 834 CA CYS A 557 11.574 -0.903 3.190 1.00 1.24 C ATOM 835 C CYS A 557 11.749 -2.311 3.715 1.00 2.11 C ATOM 836 O CYS A 557 12.833 -2.701 4.160 1.00 64.12 O ATOM 837 CB CYS A 557 12.542 -0.552 2.056 1.00 13.05 C ATOM 838 SG CYS A 557 14.178 0.006 2.606 1.00 71.50 S ATOM 0 H CYS A 557 12.599 -0.060 4.769 1.00 74.21 H new ATOM 0 HA CYS A 557 10.573 -0.841 2.763 1.00 1.24 H new ATOM 0 HB2 CYS A 557 12.666 -1.427 1.418 1.00 13.05 H new ATOM 0 HB3 CYS A 557 12.094 0.229 1.442 1.00 13.05 H new ATOM 0 HG CYS A 557 14.187 1.303 2.694 1.00 71.50 H new ATOM 844 N GLY A 558 10.683 -3.049 3.720 1.00 51.02 N ATOM 845 CA GLY A 558 10.697 -4.354 4.274 1.00 54.33 C ATOM 846 C GLY A 558 9.518 -5.126 3.804 1.00 41.23 C ATOM 847 O GLY A 558 8.951 -4.812 2.758 1.00 51.40 O ATOM 0 H GLY A 558 9.783 -2.758 3.339 1.00 51.02 H new ATOM 0 HA2 GLY A 558 11.615 -4.868 3.988 1.00 54.33 H new ATOM 0 HA3 GLY A 558 10.691 -4.295 5.362 1.00 54.33 H new ATOM 851 N GLU A 559 9.103 -6.086 4.578 1.00 2.41 N ATOM 852 CA GLU A 559 8.022 -6.952 4.200 1.00 71.31 C ATOM 853 C GLU A 559 7.091 -7.207 5.372 1.00 21.43 C ATOM 854 O GLU A 559 7.541 -7.427 6.499 1.00 44.24 O ATOM 855 CB GLU A 559 8.585 -8.256 3.664 1.00 53.35 C ATOM 856 CG GLU A 559 9.279 -8.129 2.319 1.00 51.31 C ATOM 857 CD GLU A 559 10.055 -9.348 1.939 1.00 75.04 C ATOM 858 OE1 GLU A 559 11.165 -9.539 2.475 1.00 11.23 O ATOM 859 OE2 GLU A 559 9.599 -10.125 1.080 1.00 52.21 O ATOM 0 H GLU A 559 9.505 -6.292 5.492 1.00 2.41 H new ATOM 0 HA GLU A 559 7.437 -6.467 3.419 1.00 71.31 H new ATOM 0 HB2 GLU A 559 9.293 -8.658 4.389 1.00 53.35 H new ATOM 0 HB3 GLU A 559 7.774 -8.979 3.575 1.00 53.35 H new ATOM 0 HG2 GLU A 559 8.533 -7.927 1.550 1.00 51.31 H new ATOM 0 HG3 GLU A 559 9.951 -7.271 2.344 1.00 51.31 H new ATOM 866 N LEU A 560 5.813 -7.149 5.096 1.00 50.42 N ATOM 867 CA LEU A 560 4.767 -7.374 6.075 1.00 63.52 C ATOM 868 C LEU A 560 4.338 -8.813 6.042 1.00 74.43 C ATOM 869 O LEU A 560 4.343 -9.448 4.973 1.00 62.32 O ATOM 870 CB LEU A 560 3.560 -6.505 5.756 1.00 13.43 C ATOM 871 CG LEU A 560 3.734 -5.010 5.938 1.00 24.30 C ATOM 872 CD1 LEU A 560 2.579 -4.284 5.302 1.00 41.23 C ATOM 873 CD2 LEU A 560 3.822 -4.661 7.422 1.00 21.31 C ATOM 0 H LEU A 560 5.457 -6.939 4.163 1.00 50.42 H new ATOM 0 HA LEU A 560 5.156 -7.122 7.061 1.00 63.52 H new ATOM 0 HB2 LEU A 560 3.270 -6.691 4.722 1.00 13.43 H new ATOM 0 HB3 LEU A 560 2.730 -6.830 6.383 1.00 13.43 H new ATOM 0 HG LEU A 560 4.661 -4.701 5.455 1.00 24.30 H new ATOM 0 HD11 LEU A 560 2.707 -3.210 5.435 1.00 41.23 H new ATOM 0 HD12 LEU A 560 2.545 -4.517 4.238 1.00 41.23 H new ATOM 0 HD13 LEU A 560 1.648 -4.599 5.773 1.00 41.23 H new ATOM 0 HD21 LEU A 560 3.947 -3.584 7.536 1.00 21.31 H new ATOM 0 HD22 LEU A 560 2.907 -4.975 7.925 1.00 21.31 H new ATOM 0 HD23 LEU A 560 4.675 -5.174 7.866 1.00 21.31 H new ATOM 885 N GLU A 561 3.946 -9.327 7.177 1.00 61.41 N ATOM 886 CA GLU A 561 3.542 -10.690 7.258 1.00 44.00 C ATOM 887 C GLU A 561 2.023 -10.836 7.365 1.00 2.03 C ATOM 888 O GLU A 561 1.415 -10.502 8.396 1.00 42.15 O ATOM 889 CB GLU A 561 4.252 -11.404 8.413 1.00 51.01 C ATOM 890 CG GLU A 561 3.911 -12.878 8.507 1.00 33.22 C ATOM 891 CD GLU A 561 4.730 -13.613 9.521 1.00 74.55 C ATOM 892 OE1 GLU A 561 4.360 -13.624 10.707 1.00 1.30 O ATOM 893 OE2 GLU A 561 5.753 -14.219 9.141 1.00 71.04 O ATOM 0 H GLU A 561 3.901 -8.814 8.057 1.00 61.41 H new ATOM 0 HA GLU A 561 3.841 -11.171 6.326 1.00 44.00 H new ATOM 0 HB2 GLU A 561 5.330 -11.295 8.291 1.00 51.01 H new ATOM 0 HB3 GLU A 561 3.986 -10.916 9.351 1.00 51.01 H new ATOM 0 HG2 GLU A 561 2.855 -12.984 8.757 1.00 33.22 H new ATOM 0 HG3 GLU A 561 4.055 -13.340 7.530 1.00 33.22 H new ATOM 900 N PHE A 562 1.424 -11.294 6.289 1.00 63.12 N ATOM 901 CA PHE A 562 0.025 -11.639 6.263 1.00 35.32 C ATOM 902 C PHE A 562 -0.098 -13.136 6.356 1.00 43.53 C ATOM 903 O PHE A 562 0.761 -13.873 5.861 1.00 41.32 O ATOM 904 CB PHE A 562 -0.678 -11.174 4.985 1.00 32.44 C ATOM 905 CG PHE A 562 -1.185 -9.761 4.977 1.00 63.44 C ATOM 906 CD1 PHE A 562 -2.279 -9.412 5.749 1.00 21.21 C ATOM 907 CD2 PHE A 562 -0.616 -8.803 4.162 1.00 72.21 C ATOM 908 CE1 PHE A 562 -2.796 -8.130 5.711 1.00 31.22 C ATOM 909 CE2 PHE A 562 -1.134 -7.521 4.106 1.00 1.45 C ATOM 910 CZ PHE A 562 -2.227 -7.184 4.883 1.00 41.30 C ATOM 0 H PHE A 562 1.901 -11.438 5.399 1.00 63.12 H new ATOM 0 HA PHE A 562 -0.454 -11.136 7.103 1.00 35.32 H new ATOM 0 HB2 PHE A 562 0.015 -11.293 4.152 1.00 32.44 H new ATOM 0 HB3 PHE A 562 -1.520 -11.840 4.797 1.00 32.44 H new ATOM 0 HD1 PHE A 562 -2.736 -10.151 6.390 1.00 21.21 H new ATOM 0 HD2 PHE A 562 0.244 -9.057 3.561 1.00 72.21 H new ATOM 0 HE1 PHE A 562 -3.643 -7.870 6.328 1.00 31.22 H new ATOM 0 HE2 PHE A 562 -0.685 -6.784 3.456 1.00 1.45 H new ATOM 0 HZ PHE A 562 -2.634 -6.184 4.842 1.00 41.30 H new ATOM 920 N GLN A 563 -1.127 -13.593 6.981 1.00 22.31 N ATOM 921 CA GLN A 563 -1.363 -15.000 7.142 1.00 4.10 C ATOM 922 C GLN A 563 -2.851 -15.240 7.061 1.00 25.01 C ATOM 923 O GLN A 563 -3.612 -14.299 6.810 1.00 23.23 O ATOM 924 CB GLN A 563 -0.833 -15.496 8.501 1.00 52.33 C ATOM 925 CG GLN A 563 0.652 -15.308 8.726 1.00 11.32 C ATOM 926 CD GLN A 563 1.112 -15.858 10.055 1.00 40.03 C ATOM 927 OE1 GLN A 563 1.112 -15.156 11.056 1.00 41.55 O ATOM 928 NE2 GLN A 563 1.513 -17.099 10.076 1.00 44.44 N ATOM 0 H GLN A 563 -1.841 -13.000 7.403 1.00 22.31 H new ATOM 0 HA GLN A 563 -0.840 -15.547 6.357 1.00 4.10 H new ATOM 0 HB2 GLN A 563 -1.372 -14.977 9.294 1.00 52.33 H new ATOM 0 HB3 GLN A 563 -1.067 -16.556 8.598 1.00 52.33 H new ATOM 0 HG2 GLN A 563 1.202 -15.799 7.924 1.00 11.32 H new ATOM 0 HG3 GLN A 563 0.892 -14.246 8.674 1.00 11.32 H new ATOM 0 HE21 GLN A 563 1.499 -17.654 9.220 1.00 44.44 H new ATOM 0 HE22 GLN A 563 1.841 -17.514 10.948 1.00 44.44 H new ATOM 937 N ASN A 564 -3.260 -16.472 7.256 1.00 75.04 N ATOM 938 CA ASN A 564 -4.671 -16.802 7.319 1.00 72.43 C ATOM 939 C ASN A 564 -5.201 -16.325 8.669 1.00 24.31 C ATOM 940 O ASN A 564 -6.363 -15.924 8.811 1.00 32.22 O ATOM 941 CB ASN A 564 -4.884 -18.315 7.175 1.00 53.44 C ATOM 942 CG ASN A 564 -6.358 -18.718 7.206 1.00 42.30 C ATOM 943 OD1 ASN A 564 -7.240 -17.974 6.777 1.00 44.05 O ATOM 944 ND2 ASN A 564 -6.635 -19.882 7.722 1.00 51.31 N ATOM 0 H ASN A 564 -2.634 -17.269 7.375 1.00 75.04 H new ATOM 0 HA ASN A 564 -5.203 -16.314 6.502 1.00 72.43 H new ATOM 0 HB2 ASN A 564 -4.441 -18.651 6.237 1.00 53.44 H new ATOM 0 HB3 ASN A 564 -4.356 -18.828 7.979 1.00 53.44 H new ATOM 0 HD21 ASN A 564 -7.603 -20.198 7.778 1.00 51.31 H new ATOM 0 HD22 ASN A 564 -5.883 -20.478 8.070 1.00 51.31 H new ATOM 951 N ASP A 565 -4.321 -16.363 9.655 1.00 53.11 N ATOM 952 CA ASP A 565 -4.622 -15.895 11.003 1.00 13.51 C ATOM 953 C ASP A 565 -4.543 -14.374 11.067 1.00 30.43 C ATOM 954 O ASP A 565 -5.452 -13.713 11.564 1.00 21.43 O ATOM 955 CB ASP A 565 -3.638 -16.498 12.010 1.00 53.45 C ATOM 956 CG ASP A 565 -3.948 -16.104 13.441 1.00 63.21 C ATOM 957 OD1 ASP A 565 -4.795 -16.762 14.078 1.00 32.33 O ATOM 958 OD2 ASP A 565 -3.349 -15.163 13.964 1.00 41.42 O ATOM 0 H ASP A 565 -3.372 -16.721 9.545 1.00 53.11 H new ATOM 0 HA ASP A 565 -5.634 -16.213 11.256 1.00 13.51 H new ATOM 0 HB2 ASP A 565 -3.658 -17.584 11.925 1.00 53.45 H new ATOM 0 HB3 ASP A 565 -2.627 -16.177 11.760 1.00 53.45 H new ATOM 963 N GLU A 566 -3.446 -13.832 10.553 1.00 12.35 N ATOM 964 CA GLU A 566 -3.218 -12.389 10.531 1.00 3.13 C ATOM 965 C GLU A 566 -4.202 -11.670 9.651 1.00 31.31 C ATOM 966 O GLU A 566 -4.539 -12.135 8.561 1.00 54.42 O ATOM 967 CB GLU A 566 -1.815 -12.039 10.036 1.00 13.40 C ATOM 968 CG GLU A 566 -0.700 -12.235 11.029 1.00 14.23 C ATOM 969 CD GLU A 566 -0.799 -11.301 12.218 1.00 12.34 C ATOM 970 OE1 GLU A 566 -0.758 -10.056 12.027 1.00 51.21 O ATOM 971 OE2 GLU A 566 -0.878 -11.782 13.359 1.00 32.41 O ATOM 0 H GLU A 566 -2.689 -14.377 10.140 1.00 12.35 H new ATOM 0 HA GLU A 566 -3.342 -12.065 11.564 1.00 3.13 H new ATOM 0 HB2 GLU A 566 -1.601 -12.643 9.154 1.00 13.40 H new ATOM 0 HB3 GLU A 566 -1.813 -10.997 9.717 1.00 13.40 H new ATOM 0 HG2 GLU A 566 -0.711 -13.266 11.382 1.00 14.23 H new ATOM 0 HG3 GLU A 566 0.256 -12.079 10.530 1.00 14.23 H new ATOM 978 N ILE A 567 -4.642 -10.550 10.123 1.00 33.53 N ATOM 979 CA ILE A 567 -5.449 -9.655 9.388 1.00 5.13 C ATOM 980 C ILE A 567 -4.631 -8.405 9.234 1.00 61.15 C ATOM 981 O ILE A 567 -3.421 -8.462 9.463 1.00 12.00 O ATOM 982 CB ILE A 567 -6.809 -9.306 10.066 1.00 10.12 C ATOM 983 CG1 ILE A 567 -6.601 -8.645 11.432 1.00 12.23 C ATOM 984 CG2 ILE A 567 -7.685 -10.550 10.190 1.00 34.54 C ATOM 985 CD1 ILE A 567 -7.806 -7.877 11.912 1.00 64.54 C ATOM 0 H ILE A 567 -4.437 -10.228 11.069 1.00 33.53 H new ATOM 0 HA ILE A 567 -5.720 -10.123 8.442 1.00 5.13 H new ATOM 0 HB ILE A 567 -7.323 -8.587 9.429 1.00 10.12 H new ATOM 0 HG12 ILE A 567 -6.352 -9.412 12.165 1.00 12.23 H new ATOM 0 HG13 ILE A 567 -5.747 -7.970 11.375 1.00 12.23 H new ATOM 0 HG21 ILE A 567 -8.629 -10.284 10.666 1.00 34.54 H new ATOM 0 HG22 ILE A 567 -7.880 -10.958 9.198 1.00 34.54 H new ATOM 0 HG23 ILE A 567 -7.172 -11.298 10.795 1.00 34.54 H new ATOM 0 HD11 ILE A 567 -7.591 -7.434 12.885 1.00 64.54 H new ATOM 0 HD12 ILE A 567 -8.043 -7.088 11.198 1.00 64.54 H new ATOM 0 HD13 ILE A 567 -8.657 -8.553 12.001 1.00 64.54 H new ATOM 997 N VAL A 568 -5.272 -7.371 8.741 1.00 51.35 N ATOM 998 CA VAL A 568 -4.789 -5.986 8.601 1.00 4.24 C ATOM 999 C VAL A 568 -3.340 -5.701 9.081 1.00 1.14 C ATOM 1000 O VAL A 568 -2.932 -5.994 10.221 1.00 30.51 O ATOM 1001 CB VAL A 568 -5.791 -5.021 9.298 1.00 21.12 C ATOM 1002 CG1 VAL A 568 -5.619 -4.954 10.810 1.00 41.52 C ATOM 1003 CG2 VAL A 568 -5.822 -3.653 8.656 1.00 74.21 C ATOM 0 H VAL A 568 -6.226 -7.468 8.394 1.00 51.35 H new ATOM 0 HA VAL A 568 -4.740 -5.814 7.526 1.00 4.24 H new ATOM 0 HB VAL A 568 -6.775 -5.461 9.138 1.00 21.12 H new ATOM 0 HG11 VAL A 568 -6.350 -4.263 11.229 1.00 41.52 H new ATOM 0 HG12 VAL A 568 -5.770 -5.945 11.238 1.00 41.52 H new ATOM 0 HG13 VAL A 568 -4.613 -4.606 11.047 1.00 41.52 H new ATOM 0 HG21 VAL A 568 -6.537 -3.021 9.182 1.00 74.21 H new ATOM 0 HG22 VAL A 568 -4.831 -3.203 8.711 1.00 74.21 H new ATOM 0 HG23 VAL A 568 -6.120 -3.748 7.612 1.00 74.21 H new ATOM 1013 N LYS A 569 -2.602 -5.120 8.225 1.00 53.52 N ATOM 1014 CA LYS A 569 -1.243 -4.762 8.535 1.00 74.24 C ATOM 1015 C LYS A 569 -1.150 -3.296 8.746 1.00 73.43 C ATOM 1016 O LYS A 569 -2.062 -2.540 8.365 1.00 63.24 O ATOM 1017 CB LYS A 569 -0.267 -5.167 7.442 1.00 12.50 C ATOM 1018 CG LYS A 569 -0.011 -6.659 7.246 1.00 45.32 C ATOM 1019 CD LYS A 569 0.820 -7.319 8.343 1.00 43.32 C ATOM 1020 CE LYS A 569 0.026 -7.719 9.579 1.00 55.11 C ATOM 1021 NZ LYS A 569 0.832 -8.570 10.476 1.00 73.10 N ATOM 0 H LYS A 569 -2.904 -4.870 7.283 1.00 53.52 H new ATOM 0 HA LYS A 569 -0.969 -5.303 9.441 1.00 74.24 H new ATOM 0 HB2 LYS A 569 -0.631 -4.761 6.498 1.00 12.50 H new ATOM 0 HB3 LYS A 569 0.689 -4.686 7.649 1.00 12.50 H new ATOM 0 HG2 LYS A 569 -0.971 -7.172 7.180 1.00 45.32 H new ATOM 0 HG3 LYS A 569 0.494 -6.804 6.291 1.00 45.32 H new ATOM 0 HD2 LYS A 569 1.302 -8.206 7.933 1.00 43.32 H new ATOM 0 HD3 LYS A 569 1.614 -6.635 8.642 1.00 43.32 H new ATOM 0 HE2 LYS A 569 -0.296 -6.825 10.113 1.00 55.11 H new ATOM 0 HE3 LYS A 569 -0.875 -8.253 9.279 1.00 55.11 H new ATOM 0 HZ1 LYS A 569 0.242 -8.898 11.267 1.00 73.10 H new ATOM 0 HZ2 LYS A 569 1.189 -9.391 9.947 1.00 73.10 H new ATOM 0 HZ3 LYS A 569 1.634 -8.022 10.847 1.00 73.10 H new ATOM 1035 N THR A 570 -0.065 -2.893 9.327 1.00 31.23 N ATOM 1036 CA THR A 570 0.203 -1.510 9.579 1.00 44.32 C ATOM 1037 C THR A 570 1.636 -1.178 9.264 1.00 34.44 C ATOM 1038 O THR A 570 2.566 -1.751 9.844 1.00 41.13 O ATOM 1039 CB THR A 570 -0.123 -1.093 11.030 1.00 43.31 C ATOM 1040 OG1 THR A 570 0.313 -2.105 11.954 1.00 52.35 O ATOM 1041 CG2 THR A 570 -1.600 -0.819 11.220 1.00 45.01 C ATOM 0 H THR A 570 0.671 -3.523 9.645 1.00 31.23 H new ATOM 0 HA THR A 570 -0.456 -0.944 8.920 1.00 44.32 H new ATOM 0 HB THR A 570 0.416 -0.167 11.230 1.00 43.31 H new ATOM 0 HG1 THR A 570 0.101 -1.826 12.869 1.00 52.35 H new ATOM 0 HG21 THR A 570 -1.786 -0.529 12.254 1.00 45.01 H new ATOM 0 HG22 THR A 570 -1.909 -0.012 10.556 1.00 45.01 H new ATOM 0 HG23 THR A 570 -2.170 -1.719 10.987 1.00 45.01 H new ATOM 1049 N ILE A 571 1.826 -0.284 8.340 1.00 35.44 N ATOM 1050 CA ILE A 571 3.159 0.151 8.020 1.00 42.21 C ATOM 1051 C ILE A 571 3.497 1.270 8.952 1.00 15.14 C ATOM 1052 O ILE A 571 2.935 2.362 8.842 1.00 34.05 O ATOM 1053 CB ILE A 571 3.381 0.630 6.534 1.00 31.41 C ATOM 1054 CG1 ILE A 571 3.170 -0.483 5.512 1.00 24.13 C ATOM 1055 CG2 ILE A 571 4.777 1.174 6.363 1.00 65.41 C ATOM 1056 CD1 ILE A 571 1.747 -0.851 5.288 1.00 2.15 C ATOM 0 H ILE A 571 1.084 0.157 7.797 1.00 35.44 H new ATOM 0 HA ILE A 571 3.808 -0.718 8.132 1.00 42.21 H new ATOM 0 HB ILE A 571 2.636 1.405 6.351 1.00 31.41 H new ATOM 0 HG12 ILE A 571 3.606 -0.175 4.562 1.00 24.13 H new ATOM 0 HG13 ILE A 571 3.714 -1.369 5.840 1.00 24.13 H new ATOM 0 HG21 ILE A 571 4.916 1.501 5.333 1.00 65.41 H new ATOM 0 HG22 ILE A 571 4.923 2.020 7.035 1.00 65.41 H new ATOM 0 HG23 ILE A 571 5.502 0.395 6.598 1.00 65.41 H new ATOM 0 HD11 ILE A 571 1.690 -1.649 4.547 1.00 2.15 H new ATOM 0 HD12 ILE A 571 1.308 -1.193 6.225 1.00 2.15 H new ATOM 0 HD13 ILE A 571 1.199 0.019 4.927 1.00 2.15 H new ATOM 1068 N SER A 572 4.337 0.980 9.894 1.00 34.13 N ATOM 1069 CA SER A 572 4.770 1.934 10.845 1.00 65.31 C ATOM 1070 C SER A 572 5.927 2.739 10.273 1.00 25.11 C ATOM 1071 O SER A 572 7.028 2.219 10.062 1.00 53.24 O ATOM 1072 CB SER A 572 5.168 1.176 12.101 1.00 4.35 C ATOM 1073 OG SER A 572 5.888 0.001 11.741 1.00 3.23 O ATOM 0 H SER A 572 4.745 0.054 10.020 1.00 34.13 H new ATOM 0 HA SER A 572 3.980 2.644 11.090 1.00 65.31 H new ATOM 0 HB2 SER A 572 5.782 1.809 12.741 1.00 4.35 H new ATOM 0 HB3 SER A 572 4.280 0.909 12.674 1.00 4.35 H new ATOM 0 HG SER A 572 6.540 0.218 11.042 1.00 3.23 H new ATOM 1079 N VAL A 573 5.672 3.972 9.972 1.00 1.44 N ATOM 1080 CA VAL A 573 6.694 4.820 9.422 1.00 71.20 C ATOM 1081 C VAL A 573 7.004 5.899 10.407 1.00 74.50 C ATOM 1082 O VAL A 573 6.086 6.566 10.922 1.00 5.31 O ATOM 1083 CB VAL A 573 6.282 5.473 8.074 1.00 5.44 C ATOM 1084 CG1 VAL A 573 7.430 6.288 7.475 1.00 41.41 C ATOM 1085 CG2 VAL A 573 5.792 4.433 7.082 1.00 44.04 C ATOM 0 H VAL A 573 4.764 4.420 10.096 1.00 1.44 H new ATOM 0 HA VAL A 573 7.564 4.194 9.225 1.00 71.20 H new ATOM 0 HB VAL A 573 5.458 6.154 8.285 1.00 5.44 H new ATOM 0 HG11 VAL A 573 7.108 6.731 6.533 1.00 41.41 H new ATOM 0 HG12 VAL A 573 7.716 7.078 8.169 1.00 41.41 H new ATOM 0 HG13 VAL A 573 8.285 5.636 7.296 1.00 41.41 H new ATOM 0 HG21 VAL A 573 5.512 4.923 6.150 1.00 44.04 H new ATOM 0 HG22 VAL A 573 6.586 3.712 6.888 1.00 44.04 H new ATOM 0 HG23 VAL A 573 4.926 3.916 7.495 1.00 44.04 H new ATOM 1095 N LYS A 574 8.262 6.046 10.697 1.00 63.03 N ATOM 1096 CA LYS A 574 8.724 7.065 11.566 1.00 75.41 C ATOM 1097 C LYS A 574 8.882 8.346 10.776 1.00 24.04 C ATOM 1098 O LYS A 574 9.802 8.495 9.956 1.00 23.21 O ATOM 1099 CB LYS A 574 10.036 6.633 12.248 1.00 33.03 C ATOM 1100 CG LYS A 574 10.723 7.689 13.109 1.00 2.35 C ATOM 1101 CD LYS A 574 9.887 8.131 14.300 1.00 24.32 C ATOM 1102 CE LYS A 574 10.652 9.142 15.140 1.00 4.13 C ATOM 1103 NZ LYS A 574 9.878 9.626 16.290 1.00 11.13 N ATOM 0 H LYS A 574 9.001 5.448 10.327 1.00 63.03 H new ATOM 0 HA LYS A 574 8.000 7.241 12.362 1.00 75.41 H new ATOM 0 HB2 LYS A 574 9.829 5.763 12.872 1.00 33.03 H new ATOM 0 HB3 LYS A 574 10.735 6.312 11.476 1.00 33.03 H new ATOM 0 HG2 LYS A 574 11.673 7.293 13.468 1.00 2.35 H new ATOM 0 HG3 LYS A 574 10.952 8.558 12.492 1.00 2.35 H new ATOM 0 HD2 LYS A 574 8.952 8.571 13.953 1.00 24.32 H new ATOM 0 HD3 LYS A 574 9.625 7.266 14.910 1.00 24.32 H new ATOM 0 HE2 LYS A 574 11.577 8.687 15.495 1.00 4.13 H new ATOM 0 HE3 LYS A 574 10.933 9.989 14.514 1.00 4.13 H new ATOM 0 HZ1 LYS A 574 10.519 10.074 16.976 1.00 11.13 H new ATOM 0 HZ2 LYS A 574 9.175 10.322 15.968 1.00 11.13 H new ATOM 0 HZ3 LYS A 574 9.391 8.826 16.742 1.00 11.13 H new ATOM 1117 N VAL A 575 7.945 9.220 10.959 1.00 34.40 N ATOM 1118 CA VAL A 575 7.992 10.511 10.346 1.00 44.40 C ATOM 1119 C VAL A 575 8.944 11.326 11.171 1.00 13.31 C ATOM 1120 O VAL A 575 8.921 11.249 12.404 1.00 23.40 O ATOM 1121 CB VAL A 575 6.591 11.181 10.310 1.00 61.22 C ATOM 1122 CG1 VAL A 575 6.646 12.569 9.667 1.00 40.45 C ATOM 1123 CG2 VAL A 575 5.597 10.289 9.569 1.00 50.31 C ATOM 0 H VAL A 575 7.122 9.059 11.540 1.00 34.40 H new ATOM 0 HA VAL A 575 8.318 10.433 9.309 1.00 44.40 H new ATOM 0 HB VAL A 575 6.256 11.308 11.339 1.00 61.22 H new ATOM 0 HG11 VAL A 575 5.648 13.006 9.660 1.00 40.45 H new ATOM 0 HG12 VAL A 575 7.318 13.209 10.239 1.00 40.45 H new ATOM 0 HG13 VAL A 575 7.011 12.482 8.644 1.00 40.45 H new ATOM 0 HG21 VAL A 575 4.619 10.770 9.551 1.00 50.31 H new ATOM 0 HG22 VAL A 575 5.942 10.130 8.547 1.00 50.31 H new ATOM 0 HG23 VAL A 575 5.519 9.329 10.079 1.00 50.31 H new ATOM 1133 N ILE A 576 9.808 12.035 10.538 1.00 1.20 N ATOM 1134 CA ILE A 576 10.786 12.772 11.259 1.00 10.13 C ATOM 1135 C ILE A 576 10.329 14.200 11.370 1.00 42.44 C ATOM 1136 O ILE A 576 9.721 14.735 10.428 1.00 65.21 O ATOM 1137 CB ILE A 576 12.178 12.709 10.566 1.00 32.12 C ATOM 1138 CG1 ILE A 576 12.562 11.249 10.246 1.00 55.44 C ATOM 1139 CG2 ILE A 576 13.249 13.360 11.444 1.00 34.20 C ATOM 1140 CD1 ILE A 576 12.712 10.345 11.440 1.00 54.34 C ATOM 0 H ILE A 576 9.859 12.122 9.523 1.00 1.20 H new ATOM 0 HA ILE A 576 10.896 12.331 12.250 1.00 10.13 H new ATOM 0 HB ILE A 576 12.115 13.263 9.629 1.00 32.12 H new ATOM 0 HG12 ILE A 576 11.804 10.828 9.586 1.00 55.44 H new ATOM 0 HG13 ILE A 576 13.501 11.251 9.693 1.00 55.44 H new ATOM 0 HG21 ILE A 576 14.214 13.305 10.941 1.00 34.20 H new ATOM 0 HG22 ILE A 576 12.990 14.404 11.620 1.00 34.20 H new ATOM 0 HG23 ILE A 576 13.306 12.835 12.397 1.00 34.20 H new ATOM 0 HD11 ILE A 576 12.983 9.343 11.106 1.00 54.34 H new ATOM 0 HD12 ILE A 576 13.493 10.733 12.094 1.00 54.34 H new ATOM 0 HD13 ILE A 576 11.769 10.303 11.986 1.00 54.34 H new ATOM 1152 N ASP A 577 10.553 14.779 12.536 1.00 1.32 N ATOM 1153 CA ASP A 577 10.267 16.181 12.786 1.00 1.02 C ATOM 1154 C ASP A 577 10.954 17.008 11.726 1.00 22.44 C ATOM 1155 O ASP A 577 12.189 16.965 11.584 1.00 55.05 O ATOM 1156 CB ASP A 577 10.753 16.581 14.181 1.00 11.43 C ATOM 1157 CG ASP A 577 10.558 18.044 14.489 1.00 33.20 C ATOM 1158 OD1 ASP A 577 9.431 18.457 14.813 1.00 64.50 O ATOM 1159 OD2 ASP A 577 11.538 18.808 14.450 1.00 12.34 O ATOM 0 H ASP A 577 10.941 14.287 13.341 1.00 1.32 H new ATOM 0 HA ASP A 577 9.192 16.354 12.745 1.00 1.02 H new ATOM 0 HB2 ASP A 577 10.223 15.987 14.926 1.00 11.43 H new ATOM 0 HB3 ASP A 577 11.811 16.336 14.272 1.00 11.43 H new ATOM 1164 N ASP A 578 10.157 17.702 10.956 1.00 55.31 N ATOM 1165 CA ASP A 578 10.635 18.438 9.802 1.00 30.42 C ATOM 1166 C ASP A 578 11.618 19.535 10.179 1.00 4.44 C ATOM 1167 O ASP A 578 11.300 20.452 10.928 1.00 4.20 O ATOM 1168 CB ASP A 578 9.478 18.963 8.980 1.00 13.00 C ATOM 1169 CG ASP A 578 9.934 19.667 7.751 1.00 12.23 C ATOM 1170 OD1 ASP A 578 10.857 19.117 7.033 1.00 2.22 O ATOM 1171 OD2 ASP A 578 9.419 20.737 7.474 1.00 25.44 O ATOM 0 H ASP A 578 9.151 17.776 11.108 1.00 55.31 H new ATOM 0 HA ASP A 578 11.193 17.739 9.178 1.00 30.42 H new ATOM 0 HB2 ASP A 578 8.827 18.134 8.701 1.00 13.00 H new ATOM 0 HB3 ASP A 578 8.883 19.645 9.588 1.00 13.00 H new ATOM 1176 N GLU A 579 12.803 19.417 9.636 1.00 54.53 N ATOM 1177 CA GLU A 579 13.932 20.245 9.974 1.00 42.25 C ATOM 1178 C GLU A 579 13.957 21.616 9.265 1.00 1.53 C ATOM 1179 O GLU A 579 14.658 22.525 9.720 1.00 1.35 O ATOM 1180 CB GLU A 579 15.254 19.489 9.698 1.00 42.43 C ATOM 1181 CG GLU A 579 15.566 19.189 8.216 1.00 55.30 C ATOM 1182 CD GLU A 579 14.780 18.057 7.568 1.00 65.22 C ATOM 1183 OE1 GLU A 579 13.511 18.167 7.410 1.00 21.30 O ATOM 1184 OE2 GLU A 579 15.414 17.085 7.121 1.00 3.50 O ATOM 0 H GLU A 579 13.015 18.719 8.923 1.00 54.53 H new ATOM 0 HA GLU A 579 13.827 20.459 11.038 1.00 42.25 H new ATOM 0 HB2 GLU A 579 16.076 20.073 10.111 1.00 42.43 H new ATOM 0 HB3 GLU A 579 15.230 18.545 10.242 1.00 42.43 H new ATOM 0 HG2 GLU A 579 15.391 20.098 7.641 1.00 55.30 H new ATOM 0 HG3 GLU A 579 16.628 18.958 8.132 1.00 55.30 H new ATOM 1191 N GLU A 580 13.230 21.783 8.174 1.00 41.42 N ATOM 1192 CA GLU A 580 13.285 23.054 7.456 1.00 33.43 C ATOM 1193 C GLU A 580 11.886 23.562 7.156 1.00 42.20 C ATOM 1194 O GLU A 580 10.926 23.138 7.799 1.00 51.24 O ATOM 1195 CB GLU A 580 14.143 22.980 6.149 1.00 2.01 C ATOM 1196 CG GLU A 580 13.624 22.106 4.990 1.00 63.44 C ATOM 1197 CD GLU A 580 13.859 20.633 5.150 1.00 61.42 C ATOM 1198 OE1 GLU A 580 14.995 20.173 4.945 1.00 74.52 O ATOM 1199 OE2 GLU A 580 12.911 19.887 5.465 1.00 71.51 O ATOM 0 H GLU A 580 12.610 21.080 7.771 1.00 41.42 H new ATOM 0 HA GLU A 580 13.785 23.764 8.115 1.00 33.43 H new ATOM 0 HB2 GLU A 580 14.265 23.995 5.772 1.00 2.01 H new ATOM 0 HB3 GLU A 580 15.135 22.619 6.421 1.00 2.01 H new ATOM 0 HG2 GLU A 580 12.553 22.277 4.877 1.00 63.44 H new ATOM 0 HG3 GLU A 580 14.099 22.436 4.066 1.00 63.44 H new ATOM 1206 N TYR A 581 11.791 24.521 6.235 1.00 43.02 N ATOM 1207 CA TYR A 581 10.517 25.012 5.753 1.00 72.52 C ATOM 1208 C TYR A 581 9.806 23.847 5.072 1.00 71.10 C ATOM 1209 O TYR A 581 10.460 22.942 4.526 1.00 0.24 O ATOM 1210 CB TYR A 581 10.720 26.173 4.753 1.00 32.15 C ATOM 1211 CG TYR A 581 11.360 25.766 3.436 1.00 71.23 C ATOM 1212 CD1 TYR A 581 12.737 25.687 3.288 1.00 24.42 C ATOM 1213 CD2 TYR A 581 10.571 25.451 2.344 1.00 32.30 C ATOM 1214 CE1 TYR A 581 13.300 25.309 2.086 1.00 13.23 C ATOM 1215 CE2 TYR A 581 11.124 25.077 1.153 1.00 54.40 C ATOM 1216 CZ TYR A 581 12.486 25.007 1.024 1.00 15.43 C ATOM 1217 OH TYR A 581 13.032 24.635 -0.178 1.00 53.02 O ATOM 0 H TYR A 581 12.599 24.974 5.808 1.00 43.02 H new ATOM 0 HA TYR A 581 9.923 25.396 6.582 1.00 72.52 H new ATOM 0 HB2 TYR A 581 9.753 26.631 4.546 1.00 32.15 H new ATOM 0 HB3 TYR A 581 11.340 26.936 5.223 1.00 32.15 H new ATOM 0 HD1 TYR A 581 13.377 25.925 4.125 1.00 24.42 H new ATOM 0 HD2 TYR A 581 9.496 25.502 2.436 1.00 32.30 H new ATOM 0 HE1 TYR A 581 14.373 25.251 1.982 1.00 13.23 H new ATOM 0 HE2 TYR A 581 10.488 24.837 0.314 1.00 54.40 H new ATOM 0 HH TYR A 581 12.315 24.455 -0.821 1.00 53.02 H new ATOM 1227 N GLU A 582 8.525 23.857 5.053 1.00 70.20 N ATOM 1228 CA GLU A 582 7.854 22.710 4.578 1.00 22.33 C ATOM 1229 C GLU A 582 6.952 22.991 3.426 1.00 21.24 C ATOM 1230 O GLU A 582 5.927 23.678 3.544 1.00 63.54 O ATOM 1231 CB GLU A 582 7.161 22.022 5.725 1.00 12.34 C ATOM 1232 CG GLU A 582 6.465 20.720 5.422 1.00 11.11 C ATOM 1233 CD GLU A 582 6.256 19.951 6.693 1.00 50.52 C ATOM 1234 OE1 GLU A 582 6.205 20.600 7.776 1.00 43.13 O ATOM 1235 OE2 GLU A 582 6.211 18.719 6.658 1.00 1.14 O ATOM 0 H GLU A 582 7.931 24.630 5.354 1.00 70.20 H new ATOM 0 HA GLU A 582 8.596 22.025 4.169 1.00 22.33 H new ATOM 0 HB2 GLU A 582 7.899 21.838 6.505 1.00 12.34 H new ATOM 0 HB3 GLU A 582 6.425 22.711 6.139 1.00 12.34 H new ATOM 0 HG2 GLU A 582 5.506 20.912 4.940 1.00 11.11 H new ATOM 0 HG3 GLU A 582 7.060 20.132 4.724 1.00 11.11 H new ATOM 1242 N LYS A 583 7.367 22.489 2.300 1.00 23.43 N ATOM 1243 CA LYS A 583 6.585 22.524 1.101 1.00 13.03 C ATOM 1244 C LYS A 583 5.565 21.409 1.195 1.00 71.14 C ATOM 1245 O LYS A 583 5.545 20.662 2.185 1.00 63.53 O ATOM 1246 CB LYS A 583 7.467 22.231 -0.113 1.00 74.33 C ATOM 1247 CG LYS A 583 8.642 23.159 -0.316 1.00 1.11 C ATOM 1248 CD LYS A 583 9.405 22.820 -1.600 1.00 44.20 C ATOM 1249 CE LYS A 583 9.981 21.400 -1.579 1.00 50.42 C ATOM 1250 NZ LYS A 583 10.707 21.072 -2.825 1.00 12.21 N ATOM 0 H LYS A 583 8.274 22.036 2.188 1.00 23.43 H new ATOM 0 HA LYS A 583 6.122 23.505 0.992 1.00 13.03 H new ATOM 0 HB2 LYS A 583 7.845 21.212 -0.026 1.00 74.33 H new ATOM 0 HB3 LYS A 583 6.844 22.265 -1.007 1.00 74.33 H new ATOM 0 HG2 LYS A 583 8.290 24.190 -0.361 1.00 1.11 H new ATOM 0 HG3 LYS A 583 9.315 23.089 0.539 1.00 1.11 H new ATOM 0 HD2 LYS A 583 8.737 22.926 -2.455 1.00 44.20 H new ATOM 0 HD3 LYS A 583 10.215 23.536 -1.738 1.00 44.20 H new ATOM 0 HE2 LYS A 583 10.656 21.296 -0.729 1.00 50.42 H new ATOM 0 HE3 LYS A 583 9.172 20.684 -1.433 1.00 50.42 H new ATOM 0 HZ1 LYS A 583 11.079 20.103 -2.765 1.00 12.21 H new ATOM 0 HZ2 LYS A 583 10.058 21.145 -3.634 1.00 12.21 H new ATOM 0 HZ3 LYS A 583 11.496 21.738 -2.953 1.00 12.21 H new ATOM 1264 N ASN A 584 4.748 21.261 0.193 1.00 42.33 N ATOM 1265 CA ASN A 584 3.871 20.122 0.143 1.00 14.22 C ATOM 1266 C ASN A 584 4.720 18.945 -0.299 1.00 74.42 C ATOM 1267 O ASN A 584 4.893 18.694 -1.501 1.00 63.41 O ATOM 1268 CB ASN A 584 2.684 20.346 -0.826 1.00 12.03 C ATOM 1269 CG ASN A 584 1.643 19.206 -0.842 1.00 22.34 C ATOM 1270 OD1 ASN A 584 1.943 18.033 -0.605 1.00 54.53 O ATOM 1271 ND2 ASN A 584 0.420 19.549 -1.139 1.00 21.32 N ATOM 0 H ASN A 584 4.669 21.905 -0.594 1.00 42.33 H new ATOM 0 HA ASN A 584 3.424 19.944 1.121 1.00 14.22 H new ATOM 0 HB2 ASN A 584 2.182 21.275 -0.556 1.00 12.03 H new ATOM 0 HB3 ASN A 584 3.075 20.477 -1.835 1.00 12.03 H new ATOM 0 HD21 ASN A 584 -0.313 18.841 -1.179 1.00 21.32 H new ATOM 0 HD22 ASN A 584 0.197 20.526 -1.331 1.00 21.32 H new ATOM 1278 N LYS A 585 5.381 18.338 0.653 1.00 22.02 N ATOM 1279 CA LYS A 585 6.182 17.205 0.382 1.00 52.32 C ATOM 1280 C LYS A 585 5.569 15.966 0.922 1.00 41.31 C ATOM 1281 O LYS A 585 4.913 15.979 1.968 1.00 73.33 O ATOM 1282 CB LYS A 585 7.699 17.367 0.728 1.00 24.53 C ATOM 1283 CG LYS A 585 8.107 17.897 2.118 1.00 4.00 C ATOM 1284 CD LYS A 585 7.640 17.047 3.292 1.00 21.22 C ATOM 1285 CE LYS A 585 8.362 17.477 4.573 1.00 32.52 C ATOM 1286 NZ LYS A 585 7.780 16.883 5.795 1.00 72.24 N ATOM 0 H LYS A 585 5.370 18.626 1.631 1.00 22.02 H new ATOM 0 HA LYS A 585 6.196 17.107 -0.704 1.00 52.32 H new ATOM 0 HB2 LYS A 585 8.170 16.392 0.599 1.00 24.53 H new ATOM 0 HB3 LYS A 585 8.135 18.033 -0.017 1.00 24.53 H new ATOM 0 HG2 LYS A 585 9.193 17.977 2.156 1.00 4.00 H new ATOM 0 HG3 LYS A 585 7.709 18.905 2.237 1.00 4.00 H new ATOM 0 HD2 LYS A 585 6.563 17.151 3.420 1.00 21.22 H new ATOM 0 HD3 LYS A 585 7.837 15.994 3.090 1.00 21.22 H new ATOM 0 HE2 LYS A 585 9.412 17.194 4.503 1.00 32.52 H new ATOM 0 HE3 LYS A 585 8.330 18.564 4.654 1.00 32.52 H new ATOM 0 HZ1 LYS A 585 8.509 16.828 6.535 1.00 72.24 H new ATOM 0 HZ2 LYS A 585 6.993 17.475 6.128 1.00 72.24 H new ATOM 0 HZ3 LYS A 585 7.429 15.927 5.583 1.00 72.24 H new ATOM 1300 N THR A 586 5.757 14.917 0.212 1.00 44.14 N ATOM 1301 CA THR A 586 5.162 13.691 0.520 1.00 41.52 C ATOM 1302 C THR A 586 6.023 12.557 0.031 1.00 10.34 C ATOM 1303 O THR A 586 6.806 12.711 -0.929 1.00 72.15 O ATOM 1304 CB THR A 586 3.714 13.634 -0.072 1.00 71.20 C ATOM 1305 OG1 THR A 586 3.149 12.342 0.062 1.00 74.45 O ATOM 1306 CG2 THR A 586 3.648 14.079 -1.518 1.00 74.13 C ATOM 0 H THR A 586 6.347 14.897 -0.620 1.00 44.14 H new ATOM 0 HA THR A 586 5.077 13.588 1.602 1.00 41.52 H new ATOM 0 HB THR A 586 3.127 14.341 0.514 1.00 71.20 H new ATOM 0 HG1 THR A 586 3.352 11.987 0.952 1.00 74.45 H new ATOM 0 HG21 THR A 586 2.619 14.017 -1.871 1.00 74.13 H new ATOM 0 HG22 THR A 586 3.998 15.108 -1.598 1.00 74.13 H new ATOM 0 HG23 THR A 586 4.280 13.432 -2.127 1.00 74.13 H new ATOM 1314 N PHE A 587 5.939 11.481 0.749 1.00 14.11 N ATOM 1315 CA PHE A 587 6.595 10.265 0.441 1.00 22.25 C ATOM 1316 C PHE A 587 5.540 9.218 0.217 1.00 43.44 C ATOM 1317 O PHE A 587 4.461 9.274 0.837 1.00 30.23 O ATOM 1318 CB PHE A 587 7.630 9.868 1.520 1.00 43.25 C ATOM 1319 CG PHE A 587 7.283 10.226 2.949 1.00 41.14 C ATOM 1320 CD1 PHE A 587 6.396 9.477 3.698 1.00 31.21 C ATOM 1321 CD2 PHE A 587 7.887 11.311 3.545 1.00 32.04 C ATOM 1322 CE1 PHE A 587 6.128 9.822 5.021 1.00 52.04 C ATOM 1323 CE2 PHE A 587 7.623 11.650 4.847 1.00 4.22 C ATOM 1324 CZ PHE A 587 6.743 10.903 5.586 1.00 64.23 C ATOM 0 H PHE A 587 5.384 11.432 1.603 1.00 14.11 H new ATOM 0 HA PHE A 587 7.184 10.377 -0.469 1.00 22.25 H new ATOM 0 HB2 PHE A 587 7.784 8.790 1.466 1.00 43.25 H new ATOM 0 HB3 PHE A 587 8.581 10.339 1.271 1.00 43.25 H new ATOM 0 HD1 PHE A 587 5.908 8.621 3.256 1.00 31.21 H new ATOM 0 HD2 PHE A 587 8.583 11.907 2.974 1.00 32.04 H new ATOM 0 HE1 PHE A 587 5.433 9.234 5.601 1.00 52.04 H new ATOM 0 HE2 PHE A 587 8.109 12.506 5.291 1.00 4.22 H new ATOM 0 HZ PHE A 587 6.536 11.168 6.612 1.00 64.23 H new ATOM 1334 N PHE A 588 5.809 8.304 -0.663 1.00 10.40 N ATOM 1335 CA PHE A 588 4.802 7.361 -1.075 1.00 34.25 C ATOM 1336 C PHE A 588 5.095 6.004 -0.500 1.00 24.33 C ATOM 1337 O PHE A 588 6.247 5.622 -0.377 1.00 50.13 O ATOM 1338 CB PHE A 588 4.756 7.270 -2.607 1.00 73.35 C ATOM 1339 CG PHE A 588 4.833 8.607 -3.294 1.00 52.03 C ATOM 1340 CD1 PHE A 588 3.831 9.547 -3.143 1.00 14.53 C ATOM 1341 CD2 PHE A 588 5.930 8.926 -4.070 1.00 62.34 C ATOM 1342 CE1 PHE A 588 3.921 10.779 -3.760 1.00 14.45 C ATOM 1343 CE2 PHE A 588 6.030 10.154 -4.687 1.00 32.11 C ATOM 1344 CZ PHE A 588 5.021 11.083 -4.531 1.00 40.24 C ATOM 0 H PHE A 588 6.717 8.186 -1.113 1.00 10.40 H new ATOM 0 HA PHE A 588 3.835 7.705 -0.707 1.00 34.25 H new ATOM 0 HB2 PHE A 588 5.582 6.647 -2.950 1.00 73.35 H new ATOM 0 HB3 PHE A 588 3.834 6.771 -2.905 1.00 73.35 H new ATOM 0 HD1 PHE A 588 2.968 9.315 -2.536 1.00 14.53 H new ATOM 0 HD2 PHE A 588 6.722 8.202 -4.195 1.00 62.34 H new ATOM 0 HE1 PHE A 588 3.129 11.504 -3.638 1.00 14.45 H new ATOM 0 HE2 PHE A 588 6.894 10.389 -5.290 1.00 32.11 H new ATOM 0 HZ PHE A 588 5.094 12.047 -5.013 1.00 40.24 H new ATOM 1354 N LEU A 589 4.081 5.297 -0.123 1.00 44.33 N ATOM 1355 CA LEU A 589 4.247 3.948 0.352 1.00 4.34 C ATOM 1356 C LEU A 589 3.606 3.043 -0.690 1.00 61.23 C ATOM 1357 O LEU A 589 2.449 3.255 -1.076 1.00 11.21 O ATOM 1358 CB LEU A 589 3.557 3.776 1.726 1.00 64.41 C ATOM 1359 CG LEU A 589 4.125 2.721 2.708 1.00 71.35 C ATOM 1360 CD1 LEU A 589 4.126 1.319 2.148 1.00 50.45 C ATOM 1361 CD2 LEU A 589 5.501 3.111 3.163 1.00 21.34 C ATOM 0 H LEU A 589 3.116 5.628 -0.132 1.00 44.33 H new ATOM 0 HA LEU A 589 5.300 3.700 0.488 1.00 4.34 H new ATOM 0 HB2 LEU A 589 3.575 4.742 2.230 1.00 64.41 H new ATOM 0 HB3 LEU A 589 2.511 3.531 1.544 1.00 64.41 H new ATOM 0 HG LEU A 589 3.452 2.706 3.565 1.00 71.35 H new ATOM 0 HD11 LEU A 589 4.537 0.632 2.888 1.00 50.45 H new ATOM 0 HD12 LEU A 589 3.105 1.023 1.905 1.00 50.45 H new ATOM 0 HD13 LEU A 589 4.737 1.288 1.246 1.00 50.45 H new ATOM 0 HD21 LEU A 589 5.883 2.358 3.852 1.00 21.34 H new ATOM 0 HD22 LEU A 589 6.163 3.183 2.300 1.00 21.34 H new ATOM 0 HD23 LEU A 589 5.457 4.076 3.668 1.00 21.34 H new ATOM 1373 N GLU A 590 4.352 2.095 -1.176 1.00 53.33 N ATOM 1374 CA GLU A 590 3.861 1.166 -2.167 1.00 23.45 C ATOM 1375 C GLU A 590 4.256 -0.241 -1.766 1.00 52.55 C ATOM 1376 O GLU A 590 5.288 -0.440 -1.105 1.00 52.01 O ATOM 1377 CB GLU A 590 4.439 1.499 -3.559 1.00 64.30 C ATOM 1378 CG GLU A 590 3.980 0.547 -4.660 1.00 23.12 C ATOM 1379 CD GLU A 590 4.597 0.831 -5.994 1.00 23.43 C ATOM 1380 OE1 GLU A 590 5.795 0.519 -6.196 1.00 63.14 O ATOM 1381 OE2 GLU A 590 3.895 1.372 -6.877 1.00 22.22 O ATOM 0 H GLU A 590 5.321 1.939 -0.900 1.00 53.33 H new ATOM 0 HA GLU A 590 2.775 1.243 -2.221 1.00 23.45 H new ATOM 0 HB2 GLU A 590 4.152 2.516 -3.828 1.00 64.30 H new ATOM 0 HB3 GLU A 590 5.527 1.479 -3.505 1.00 64.30 H new ATOM 0 HG2 GLU A 590 4.220 -0.475 -4.368 1.00 23.12 H new ATOM 0 HG3 GLU A 590 2.895 0.606 -4.751 1.00 23.12 H new ATOM 1388 N ILE A 591 3.433 -1.191 -2.135 1.00 52.33 N ATOM 1389 CA ILE A 591 3.700 -2.579 -1.905 1.00 74.43 C ATOM 1390 C ILE A 591 4.010 -3.237 -3.238 1.00 4.10 C ATOM 1391 O ILE A 591 3.492 -2.809 -4.284 1.00 21.12 O ATOM 1392 CB ILE A 591 2.523 -3.305 -1.194 1.00 62.12 C ATOM 1393 CG1 ILE A 591 1.213 -3.161 -1.990 1.00 10.51 C ATOM 1394 CG2 ILE A 591 2.358 -2.786 0.232 1.00 11.31 C ATOM 1395 CD1 ILE A 591 0.031 -3.862 -1.358 1.00 43.11 C ATOM 0 H ILE A 591 2.548 -1.014 -2.610 1.00 52.33 H new ATOM 0 HA ILE A 591 4.555 -2.659 -1.233 1.00 74.43 H new ATOM 0 HB ILE A 591 2.761 -4.368 -1.147 1.00 62.12 H new ATOM 0 HG12 ILE A 591 0.980 -2.102 -2.098 1.00 10.51 H new ATOM 0 HG13 ILE A 591 1.364 -3.558 -2.994 1.00 10.51 H new ATOM 0 HG21 ILE A 591 1.530 -3.305 0.715 1.00 11.31 H new ATOM 0 HG22 ILE A 591 3.275 -2.966 0.793 1.00 11.31 H new ATOM 0 HG23 ILE A 591 2.151 -1.716 0.208 1.00 11.31 H new ATOM 0 HD11 ILE A 591 -0.854 -3.714 -1.978 1.00 43.11 H new ATOM 0 HD12 ILE A 591 0.242 -4.928 -1.275 1.00 43.11 H new ATOM 0 HD13 ILE A 591 -0.148 -3.449 -0.365 1.00 43.11 H new ATOM 1407 N GLY A 592 4.855 -4.227 -3.214 1.00 21.33 N ATOM 1408 CA GLY A 592 5.260 -4.873 -4.431 1.00 52.42 C ATOM 1409 C GLY A 592 4.569 -6.190 -4.641 1.00 43.20 C ATOM 1410 O GLY A 592 3.379 -6.327 -4.355 1.00 14.53 O ATOM 0 H GLY A 592 5.277 -4.605 -2.366 1.00 21.33 H new ATOM 0 HA2 GLY A 592 5.048 -4.217 -5.275 1.00 52.42 H new ATOM 0 HA3 GLY A 592 6.338 -5.031 -4.413 1.00 52.42 H new ATOM 1414 N GLU A 593 5.317 -7.153 -5.132 1.00 13.54 N ATOM 1415 CA GLU A 593 4.809 -8.488 -5.380 1.00 35.54 C ATOM 1416 C GLU A 593 4.717 -9.264 -4.070 1.00 53.34 C ATOM 1417 O GLU A 593 5.739 -9.528 -3.435 1.00 72.10 O ATOM 1418 CB GLU A 593 5.735 -9.238 -6.342 1.00 54.14 C ATOM 1419 CG GLU A 593 5.350 -10.685 -6.584 1.00 14.04 C ATOM 1420 CD GLU A 593 6.540 -11.540 -6.962 1.00 51.44 C ATOM 1421 OE1 GLU A 593 7.354 -11.124 -7.784 1.00 53.13 O ATOM 1422 OE2 GLU A 593 6.705 -12.634 -6.382 1.00 73.44 O ATOM 0 H GLU A 593 6.301 -7.033 -5.373 1.00 13.54 H new ATOM 0 HA GLU A 593 3.818 -8.402 -5.825 1.00 35.54 H new ATOM 0 HB2 GLU A 593 5.747 -8.714 -7.298 1.00 54.14 H new ATOM 0 HB3 GLU A 593 6.751 -9.206 -5.948 1.00 54.14 H new ATOM 0 HG2 GLU A 593 4.885 -11.090 -5.685 1.00 14.04 H new ATOM 0 HG3 GLU A 593 4.604 -10.733 -7.378 1.00 14.04 H new ATOM 1429 N PRO A 594 3.510 -9.627 -3.637 1.00 43.40 N ATOM 1430 CA PRO A 594 3.343 -10.430 -2.449 1.00 1.11 C ATOM 1431 C PRO A 594 3.704 -11.879 -2.768 1.00 41.24 C ATOM 1432 O PRO A 594 3.472 -12.353 -3.886 1.00 62.31 O ATOM 1433 CB PRO A 594 1.857 -10.281 -2.129 1.00 62.31 C ATOM 1434 CG PRO A 594 1.215 -10.051 -3.440 1.00 72.10 C ATOM 1435 CD PRO A 594 2.219 -9.306 -4.280 1.00 12.24 C ATOM 0 HA PRO A 594 3.974 -10.130 -1.613 1.00 1.11 H new ATOM 0 HB2 PRO A 594 1.464 -11.176 -1.646 1.00 62.31 H new ATOM 0 HB3 PRO A 594 1.679 -9.448 -1.449 1.00 62.31 H new ATOM 0 HG2 PRO A 594 0.941 -10.996 -3.909 1.00 72.10 H new ATOM 0 HG3 PRO A 594 0.298 -9.473 -3.327 1.00 72.10 H new ATOM 0 HD2 PRO A 594 2.195 -9.634 -5.319 1.00 12.24 H new ATOM 0 HD3 PRO A 594 2.026 -8.233 -4.280 1.00 12.24 H new ATOM 1443 N ARG A 595 4.259 -12.583 -1.830 1.00 24.32 N ATOM 1444 CA ARG A 595 4.718 -13.908 -2.119 1.00 72.31 C ATOM 1445 C ARG A 595 4.068 -14.904 -1.198 1.00 1.21 C ATOM 1446 O ARG A 595 3.894 -14.638 0.001 1.00 32.11 O ATOM 1447 CB ARG A 595 6.252 -13.983 -2.055 1.00 74.21 C ATOM 1448 CG ARG A 595 6.857 -13.922 -0.660 1.00 44.30 C ATOM 1449 CD ARG A 595 8.366 -13.742 -0.717 1.00 22.23 C ATOM 1450 NE ARG A 595 8.750 -12.323 -0.728 1.00 11.43 N ATOM 1451 CZ ARG A 595 9.030 -11.560 -1.794 1.00 14.20 C ATOM 1452 NH1 ARG A 595 8.916 -12.027 -3.044 1.00 23.34 N ATOM 1453 NH2 ARG A 595 9.422 -10.320 -1.587 1.00 55.24 N ATOM 0 H ARG A 595 4.404 -12.269 -0.870 1.00 24.32 H new ATOM 0 HA ARG A 595 4.426 -14.163 -3.138 1.00 72.31 H new ATOM 0 HB2 ARG A 595 6.572 -14.910 -2.530 1.00 74.21 H new ATOM 0 HB3 ARG A 595 6.663 -13.164 -2.645 1.00 74.21 H new ATOM 0 HG2 ARG A 595 6.411 -13.097 -0.104 1.00 44.30 H new ATOM 0 HG3 ARG A 595 6.618 -14.837 -0.118 1.00 44.30 H new ATOM 0 HD2 ARG A 595 8.823 -14.235 0.141 1.00 22.23 H new ATOM 0 HD3 ARG A 595 8.756 -14.230 -1.610 1.00 22.23 H new ATOM 0 HE ARG A 595 8.810 -11.866 0.182 1.00 11.43 H new ATOM 0 HH11 ARG A 595 8.609 -12.987 -3.204 1.00 23.34 H new ATOM 0 HH12 ARG A 595 9.136 -11.423 -3.836 1.00 23.34 H new ATOM 0 HH21 ARG A 595 9.506 -9.964 -0.635 1.00 55.24 H new ATOM 0 HH22 ARG A 595 9.642 -9.716 -2.379 1.00 55.24 H new ATOM 1467 N LEU A 596 3.680 -16.017 -1.746 1.00 33.04 N ATOM 1468 CA LEU A 596 3.059 -17.045 -0.981 1.00 2.03 C ATOM 1469 C LEU A 596 4.164 -17.910 -0.400 1.00 23.45 C ATOM 1470 O LEU A 596 4.953 -18.506 -1.141 1.00 34.32 O ATOM 1471 CB LEU A 596 2.162 -17.901 -1.873 1.00 41.43 C ATOM 1472 CG LEU A 596 0.796 -18.337 -1.301 1.00 42.30 C ATOM 1473 CD1 LEU A 596 0.843 -18.703 0.184 1.00 44.30 C ATOM 1474 CD2 LEU A 596 -0.264 -17.306 -1.602 1.00 2.11 C ATOM 0 H LEU A 596 3.787 -16.233 -2.737 1.00 33.04 H new ATOM 0 HA LEU A 596 2.444 -16.610 -0.193 1.00 2.03 H new ATOM 0 HB2 LEU A 596 1.980 -17.349 -2.795 1.00 41.43 H new ATOM 0 HB3 LEU A 596 2.716 -18.800 -2.143 1.00 41.43 H new ATOM 0 HG LEU A 596 0.525 -19.262 -1.811 1.00 42.30 H new ATOM 0 HD11 LEU A 596 -0.152 -18.999 0.517 1.00 44.30 H new ATOM 0 HD12 LEU A 596 1.537 -19.530 0.333 1.00 44.30 H new ATOM 0 HD13 LEU A 596 1.177 -17.841 0.761 1.00 44.30 H new ATOM 0 HD21 LEU A 596 -1.218 -17.634 -1.190 1.00 2.11 H new ATOM 0 HD22 LEU A 596 0.017 -16.353 -1.153 1.00 2.11 H new ATOM 0 HD23 LEU A 596 -0.358 -17.185 -2.681 1.00 2.11 H new ATOM 1486 N VAL A 597 4.233 -17.953 0.901 1.00 34.54 N ATOM 1487 CA VAL A 597 5.258 -18.736 1.588 1.00 71.10 C ATOM 1488 C VAL A 597 4.846 -20.193 1.566 1.00 21.23 C ATOM 1489 O VAL A 597 5.670 -21.102 1.419 1.00 43.23 O ATOM 1490 CB VAL A 597 5.458 -18.254 3.049 1.00 1.24 C ATOM 1491 CG1 VAL A 597 6.557 -19.041 3.757 1.00 20.51 C ATOM 1492 CG2 VAL A 597 5.775 -16.772 3.069 1.00 65.34 C ATOM 0 H VAL A 597 3.594 -17.457 1.522 1.00 34.54 H new ATOM 0 HA VAL A 597 6.210 -18.606 1.073 1.00 71.10 H new ATOM 0 HB VAL A 597 4.528 -18.430 3.589 1.00 1.24 H new ATOM 0 HG11 VAL A 597 6.667 -18.674 4.778 1.00 20.51 H new ATOM 0 HG12 VAL A 597 6.292 -20.098 3.778 1.00 20.51 H new ATOM 0 HG13 VAL A 597 7.498 -18.914 3.222 1.00 20.51 H new ATOM 0 HG21 VAL A 597 5.914 -16.443 4.099 1.00 65.34 H new ATOM 0 HG22 VAL A 597 6.688 -16.588 2.503 1.00 65.34 H new ATOM 0 HG23 VAL A 597 4.951 -16.218 2.619 1.00 65.34 H new ATOM 2055 N ARG A 633 0.577 -16.818 -7.796 1.00 15.43 N ATOM 2056 CA ARG A 633 1.075 -15.737 -7.008 1.00 4.13 C ATOM 2057 C ARG A 633 -0.117 -15.038 -6.404 1.00 24.01 C ATOM 2058 O ARG A 633 -1.197 -15.048 -6.990 1.00 20.54 O ATOM 2059 CB ARG A 633 1.780 -14.679 -7.874 1.00 25.33 C ATOM 2060 CG ARG A 633 3.146 -15.008 -8.432 1.00 11.52 C ATOM 2061 CD ARG A 633 3.638 -13.806 -9.234 1.00 44.32 C ATOM 2062 NE ARG A 633 5.057 -13.869 -9.620 1.00 25.54 N ATOM 2063 CZ ARG A 633 5.593 -13.188 -10.653 1.00 52.32 C ATOM 2064 NH1 ARG A 633 4.813 -12.650 -11.589 1.00 41.04 N ATOM 2065 NH2 ARG A 633 6.900 -13.115 -10.782 1.00 22.42 N ATOM 0 HA ARG A 633 1.773 -16.141 -6.275 1.00 4.13 H new ATOM 0 HB2 ARG A 633 1.125 -14.445 -8.713 1.00 25.33 H new ATOM 0 HB3 ARG A 633 1.873 -13.770 -7.279 1.00 25.33 H new ATOM 0 HG2 ARG A 633 3.841 -15.236 -7.624 1.00 11.52 H new ATOM 0 HG3 ARG A 633 3.094 -15.893 -9.067 1.00 11.52 H new ATOM 0 HD2 ARG A 633 3.033 -13.715 -10.136 1.00 44.32 H new ATOM 0 HD3 ARG A 633 3.474 -12.902 -8.647 1.00 44.32 H new ATOM 0 HE ARG A 633 5.675 -14.466 -9.071 1.00 25.54 H new ATOM 0 HH11 ARG A 633 3.800 -12.751 -11.529 1.00 41.04 H new ATOM 0 HH12 ARG A 633 5.229 -12.137 -12.366 1.00 41.04 H new ATOM 0 HH21 ARG A 633 7.506 -13.573 -10.101 1.00 22.42 H new ATOM 0 HH22 ARG A 633 7.307 -12.600 -11.563 1.00 22.42 H new ATOM 2079 N PRO A 634 0.013 -14.491 -5.227 1.00 32.02 N ATOM 2080 CA PRO A 634 -0.974 -13.581 -4.736 1.00 65.41 C ATOM 2081 C PRO A 634 -0.727 -12.224 -5.387 1.00 21.31 C ATOM 2082 O PRO A 634 0.401 -11.922 -5.790 1.00 1.31 O ATOM 2083 CB PRO A 634 -0.716 -13.504 -3.248 1.00 44.44 C ATOM 2084 CG PRO A 634 0.697 -13.967 -3.052 1.00 24.43 C ATOM 2085 CD PRO A 634 1.096 -14.743 -4.273 1.00 70.11 C ATOM 0 HA PRO A 634 -1.998 -13.885 -4.950 1.00 65.41 H new ATOM 0 HB2 PRO A 634 -0.848 -12.486 -2.881 1.00 44.44 H new ATOM 0 HB3 PRO A 634 -1.414 -14.135 -2.697 1.00 44.44 H new ATOM 0 HG2 PRO A 634 1.362 -13.116 -2.906 1.00 24.43 H new ATOM 0 HG3 PRO A 634 0.775 -14.589 -2.161 1.00 24.43 H new ATOM 0 HD2 PRO A 634 2.057 -14.406 -4.663 1.00 70.11 H new ATOM 0 HD3 PRO A 634 1.195 -15.806 -4.055 1.00 70.11 H new ATOM 2093 N ILE A 635 -1.734 -11.423 -5.524 1.00 13.32 N ATOM 2094 CA ILE A 635 -1.538 -10.127 -6.114 1.00 34.32 C ATOM 2095 C ILE A 635 -1.997 -9.057 -5.166 1.00 72.11 C ATOM 2096 O ILE A 635 -2.460 -9.354 -4.062 1.00 13.11 O ATOM 2097 CB ILE A 635 -2.271 -9.944 -7.452 1.00 35.01 C ATOM 2098 CG1 ILE A 635 -3.764 -10.151 -7.266 1.00 62.14 C ATOM 2099 CG2 ILE A 635 -1.712 -10.898 -8.503 1.00 55.24 C ATOM 2100 CD1 ILE A 635 -4.579 -9.411 -8.260 1.00 24.54 C ATOM 0 H ILE A 635 -2.691 -11.634 -5.241 1.00 13.32 H new ATOM 0 HA ILE A 635 -0.469 -10.046 -6.313 1.00 34.32 H new ATOM 0 HB ILE A 635 -2.110 -8.925 -7.804 1.00 35.01 H new ATOM 0 HG12 ILE A 635 -3.990 -11.215 -7.339 1.00 62.14 H new ATOM 0 HG13 ILE A 635 -4.047 -9.833 -6.263 1.00 62.14 H new ATOM 0 HG21 ILE A 635 -2.243 -10.754 -9.444 1.00 55.24 H new ATOM 0 HG22 ILE A 635 -0.651 -10.696 -8.650 1.00 55.24 H new ATOM 0 HG23 ILE A 635 -1.842 -11.927 -8.167 1.00 55.24 H new ATOM 0 HD11 ILE A 635 -5.637 -9.599 -8.075 1.00 24.54 H new ATOM 0 HD12 ILE A 635 -4.379 -8.343 -8.172 1.00 24.54 H new ATOM 0 HD13 ILE A 635 -4.321 -9.747 -9.264 1.00 24.54 H new ATOM 2112 N LEU A 636 -1.889 -7.832 -5.597 1.00 52.40 N ATOM 2113 CA LEU A 636 -2.267 -6.716 -4.783 1.00 11.14 C ATOM 2114 C LEU A 636 -3.710 -6.329 -5.083 1.00 12.32 C ATOM 2115 O LEU A 636 -4.375 -6.996 -5.870 1.00 65.10 O ATOM 2116 CB LEU A 636 -1.272 -5.537 -4.975 1.00 71.22 C ATOM 2117 CG LEU A 636 -1.416 -4.587 -6.209 1.00 40.22 C ATOM 2118 CD1 LEU A 636 -0.148 -3.797 -6.427 1.00 43.12 C ATOM 2119 CD2 LEU A 636 -1.857 -5.278 -7.494 1.00 50.42 C ATOM 0 H LEU A 636 -1.537 -7.581 -6.521 1.00 52.40 H new ATOM 0 HA LEU A 636 -2.216 -6.992 -3.730 1.00 11.14 H new ATOM 0 HB2 LEU A 636 -1.327 -4.917 -4.080 1.00 71.22 H new ATOM 0 HB3 LEU A 636 -0.269 -5.961 -5.008 1.00 71.22 H new ATOM 0 HG LEU A 636 -2.230 -3.906 -5.958 1.00 40.22 H new ATOM 0 HD11 LEU A 636 -0.271 -3.143 -7.290 1.00 43.12 H new ATOM 0 HD12 LEU A 636 0.062 -3.195 -5.543 1.00 43.12 H new ATOM 0 HD13 LEU A 636 0.681 -4.482 -6.605 1.00 43.12 H new ATOM 0 HD21 LEU A 636 -1.930 -4.543 -8.296 1.00 50.42 H new ATOM 0 HD22 LEU A 636 -1.127 -6.040 -7.766 1.00 50.42 H new ATOM 0 HD23 LEU A 636 -2.830 -5.745 -7.340 1.00 50.42 H new ATOM 2131 N GLY A 637 -4.182 -5.283 -4.467 1.00 62.42 N ATOM 2132 CA GLY A 637 -5.528 -4.855 -4.683 1.00 11.15 C ATOM 2133 C GLY A 637 -5.690 -3.990 -5.915 1.00 20.33 C ATOM 2134 O GLY A 637 -5.300 -4.363 -7.025 1.00 31.32 O ATOM 0 H GLY A 637 -3.650 -4.712 -3.810 1.00 62.42 H new ATOM 0 HA2 GLY A 637 -6.170 -5.731 -4.775 1.00 11.15 H new ATOM 0 HA3 GLY A 637 -5.870 -4.300 -3.810 1.00 11.15 H new ATOM 2138 N GLU A 638 -6.241 -2.849 -5.711 1.00 44.35 N ATOM 2139 CA GLU A 638 -6.546 -1.926 -6.773 1.00 32.35 C ATOM 2140 C GLU A 638 -5.707 -0.666 -6.632 1.00 1.51 C ATOM 2141 O GLU A 638 -4.917 -0.334 -7.512 1.00 14.30 O ATOM 2142 CB GLU A 638 -8.044 -1.586 -6.737 1.00 2.14 C ATOM 2143 CG GLU A 638 -8.523 -0.706 -7.873 1.00 70.22 C ATOM 2144 CD GLU A 638 -8.286 -1.334 -9.216 1.00 24.24 C ATOM 2145 OE1 GLU A 638 -8.985 -2.305 -9.562 1.00 74.24 O ATOM 2146 OE2 GLU A 638 -7.387 -0.875 -9.951 1.00 34.31 O ATOM 0 H GLU A 638 -6.503 -2.512 -4.785 1.00 44.35 H new ATOM 0 HA GLU A 638 -6.309 -2.386 -7.732 1.00 32.35 H new ATOM 0 HB2 GLU A 638 -8.614 -2.515 -6.751 1.00 2.14 H new ATOM 0 HB3 GLU A 638 -8.267 -1.090 -5.793 1.00 2.14 H new ATOM 0 HG2 GLU A 638 -9.587 -0.505 -7.751 1.00 70.22 H new ATOM 0 HG3 GLU A 638 -8.010 0.255 -7.827 1.00 70.22 H new ATOM 2153 N HIS A 639 -5.859 0.016 -5.521 1.00 2.44 N ATOM 2154 CA HIS A 639 -5.141 1.248 -5.306 1.00 45.32 C ATOM 2155 C HIS A 639 -4.040 1.075 -4.285 1.00 71.54 C ATOM 2156 O HIS A 639 -4.256 1.140 -3.069 1.00 15.42 O ATOM 2157 CB HIS A 639 -6.086 2.435 -4.963 1.00 31.33 C ATOM 2158 CG HIS A 639 -7.034 2.216 -3.801 1.00 21.43 C ATOM 2159 ND1 HIS A 639 -6.872 2.774 -2.550 1.00 55.22 N ATOM 2160 CD2 HIS A 639 -8.190 1.517 -3.744 1.00 43.13 C ATOM 2161 CE1 HIS A 639 -7.907 2.412 -1.793 1.00 33.20 C ATOM 2162 NE2 HIS A 639 -8.743 1.643 -2.472 1.00 45.00 N ATOM 0 H HIS A 639 -6.472 -0.261 -4.754 1.00 2.44 H new ATOM 0 HA HIS A 639 -4.664 1.508 -6.251 1.00 45.32 H new ATOM 0 HB2 HIS A 639 -5.473 3.310 -4.746 1.00 31.33 H new ATOM 0 HB3 HIS A 639 -6.677 2.671 -5.848 1.00 31.33 H new ATOM 0 HD2 HIS A 639 -8.618 0.950 -4.558 1.00 43.13 H new ATOM 0 HE1 HIS A 639 -8.045 2.707 -0.763 1.00 33.20 H new ATOM 0 HE2 HIS A 639 -9.612 1.229 -2.134 1.00 45.00 H new ATOM 2170 N THR A 640 -2.876 0.802 -4.768 1.00 62.32 N ATOM 2171 CA THR A 640 -1.762 0.657 -3.916 1.00 72.43 C ATOM 2172 C THR A 640 -0.823 1.827 -4.098 1.00 11.24 C ATOM 2173 O THR A 640 0.066 1.822 -4.961 1.00 24.41 O ATOM 2174 CB THR A 640 -1.061 -0.674 -4.178 1.00 61.42 C ATOM 2175 OG1 THR A 640 -0.837 -0.807 -5.585 1.00 43.14 O ATOM 2176 CG2 THR A 640 -1.929 -1.824 -3.696 1.00 53.40 C ATOM 0 H THR A 640 -2.678 0.675 -5.760 1.00 62.32 H new ATOM 0 HA THR A 640 -2.098 0.651 -2.879 1.00 72.43 H new ATOM 0 HB THR A 640 -0.113 -0.698 -3.641 1.00 61.42 H new ATOM 0 HG1 THR A 640 -0.462 0.027 -5.937 1.00 43.14 H new ATOM 0 HG21 THR A 640 -1.420 -2.769 -3.887 1.00 53.40 H new ATOM 0 HG22 THR A 640 -2.110 -1.720 -2.626 1.00 53.40 H new ATOM 0 HG23 THR A 640 -2.880 -1.810 -4.228 1.00 53.40 H new ATOM 2184 N LYS A 641 -1.045 2.821 -3.298 1.00 33.15 N ATOM 2185 CA LYS A 641 -0.311 4.043 -3.318 1.00 62.12 C ATOM 2186 C LYS A 641 -0.729 4.745 -2.068 1.00 63.15 C ATOM 2187 O LYS A 641 -1.913 4.812 -1.773 1.00 50.25 O ATOM 2188 CB LYS A 641 -0.719 4.875 -4.583 1.00 12.21 C ATOM 2189 CG LYS A 641 0.116 6.148 -4.936 1.00 11.44 C ATOM 2190 CD LYS A 641 0.055 7.239 -3.873 1.00 73.01 C ATOM 2191 CE LYS A 641 0.749 8.534 -4.309 1.00 51.20 C ATOM 2192 NZ LYS A 641 -0.050 9.331 -5.274 1.00 24.11 N ATOM 0 H LYS A 641 -1.773 2.801 -2.584 1.00 33.15 H new ATOM 0 HA LYS A 641 0.768 3.896 -3.363 1.00 62.12 H new ATOM 0 HB2 LYS A 641 -0.687 4.207 -5.444 1.00 12.21 H new ATOM 0 HB3 LYS A 641 -1.757 5.183 -4.457 1.00 12.21 H new ATOM 0 HG2 LYS A 641 1.156 5.858 -5.087 1.00 11.44 H new ATOM 0 HG3 LYS A 641 -0.242 6.555 -5.882 1.00 11.44 H new ATOM 0 HD2 LYS A 641 -0.988 7.453 -3.638 1.00 73.01 H new ATOM 0 HD3 LYS A 641 0.520 6.874 -2.957 1.00 73.01 H new ATOM 0 HE2 LYS A 641 0.955 9.142 -3.428 1.00 51.20 H new ATOM 0 HE3 LYS A 641 1.711 8.289 -4.759 1.00 51.20 H new ATOM 0 HZ1 LYS A 641 0.292 9.151 -6.240 1.00 24.11 H new ATOM 0 HZ2 LYS A 641 -1.051 9.058 -5.205 1.00 24.11 H new ATOM 0 HZ3 LYS A 641 0.049 10.343 -5.054 1.00 24.11 H new ATOM 2206 N LEU A 642 0.206 5.177 -1.314 1.00 14.11 N ATOM 2207 CA LEU A 642 -0.079 5.941 -0.148 1.00 10.23 C ATOM 2208 C LEU A 642 0.686 7.219 -0.233 1.00 2.31 C ATOM 2209 O LEU A 642 1.911 7.204 -0.234 1.00 31.14 O ATOM 2210 CB LEU A 642 0.334 5.203 1.105 1.00 20.43 C ATOM 2211 CG LEU A 642 0.078 5.946 2.408 1.00 53.44 C ATOM 2212 CD1 LEU A 642 -1.398 6.026 2.728 1.00 61.10 C ATOM 2213 CD2 LEU A 642 0.849 5.334 3.536 1.00 44.44 C ATOM 0 H LEU A 642 1.199 5.014 -1.482 1.00 14.11 H new ATOM 0 HA LEU A 642 -1.152 6.124 -0.096 1.00 10.23 H new ATOM 0 HB2 LEU A 642 -0.196 4.251 1.138 1.00 20.43 H new ATOM 0 HB3 LEU A 642 1.398 4.974 1.039 1.00 20.43 H new ATOM 0 HG LEU A 642 0.432 6.968 2.276 1.00 53.44 H new ATOM 0 HD11 LEU A 642 -1.538 6.564 3.666 1.00 61.10 H new ATOM 0 HD12 LEU A 642 -1.916 6.553 1.927 1.00 61.10 H new ATOM 0 HD13 LEU A 642 -1.805 5.019 2.823 1.00 61.10 H new ATOM 0 HD21 LEU A 642 0.648 5.884 4.455 1.00 44.44 H new ATOM 0 HD22 LEU A 642 0.546 4.294 3.662 1.00 44.44 H new ATOM 0 HD23 LEU A 642 1.915 5.377 3.313 1.00 44.44 H new ATOM 2225 N GLU A 643 -0.010 8.291 -0.372 1.00 12.43 N ATOM 2226 CA GLU A 643 0.595 9.570 -0.420 1.00 5.42 C ATOM 2227 C GLU A 643 0.487 10.165 0.959 1.00 34.33 C ATOM 2228 O GLU A 643 -0.609 10.483 1.423 1.00 53.43 O ATOM 2229 CB GLU A 643 -0.114 10.443 -1.445 1.00 55.53 C ATOM 2230 CG GLU A 643 0.700 11.630 -1.893 1.00 23.32 C ATOM 2231 CD GLU A 643 0.079 12.357 -3.044 1.00 44.21 C ATOM 2232 OE1 GLU A 643 0.186 11.860 -4.197 1.00 53.13 O ATOM 2233 OE2 GLU A 643 -0.517 13.433 -2.830 1.00 74.45 O ATOM 0 H GLU A 643 -1.026 8.303 -0.456 1.00 12.43 H new ATOM 0 HA GLU A 643 1.641 9.499 -0.719 1.00 5.42 H new ATOM 0 HB2 GLU A 643 -0.365 9.836 -2.315 1.00 55.53 H new ATOM 0 HB3 GLU A 643 -1.054 10.797 -1.021 1.00 55.53 H new ATOM 0 HG2 GLU A 643 0.821 12.319 -1.057 1.00 23.32 H new ATOM 0 HG3 GLU A 643 1.698 11.295 -2.176 1.00 23.32 H new ATOM 2240 N VAL A 644 1.585 10.220 1.640 1.00 20.11 N ATOM 2241 CA VAL A 644 1.610 10.740 2.974 1.00 4.35 C ATOM 2242 C VAL A 644 1.992 12.190 2.931 1.00 12.15 C ATOM 2243 O VAL A 644 3.157 12.508 2.707 1.00 53.43 O ATOM 2244 CB VAL A 644 2.652 10.005 3.814 1.00 1.51 C ATOM 2245 CG1 VAL A 644 2.572 10.442 5.266 1.00 62.21 C ATOM 2246 CG2 VAL A 644 2.507 8.502 3.662 1.00 31.13 C ATOM 0 H VAL A 644 2.491 9.907 1.290 1.00 20.11 H new ATOM 0 HA VAL A 644 0.622 10.609 3.415 1.00 4.35 H new ATOM 0 HB VAL A 644 3.644 10.269 3.448 1.00 1.51 H new ATOM 0 HG11 VAL A 644 3.322 9.907 5.849 1.00 62.21 H new ATOM 0 HG12 VAL A 644 2.756 11.514 5.334 1.00 62.21 H new ATOM 0 HG13 VAL A 644 1.580 10.219 5.659 1.00 62.21 H new ATOM 0 HG21 VAL A 644 3.260 8.000 4.270 1.00 31.13 H new ATOM 0 HG22 VAL A 644 1.513 8.197 3.991 1.00 31.13 H new ATOM 0 HG23 VAL A 644 2.643 8.227 2.616 1.00 31.13 H new ATOM 2256 N ILE A 645 1.049 13.056 3.085 1.00 31.22 N ATOM 2257 CA ILE A 645 1.347 14.453 3.088 1.00 23.30 C ATOM 2258 C ILE A 645 1.645 14.877 4.517 1.00 22.13 C ATOM 2259 O ILE A 645 0.820 14.684 5.427 1.00 51.33 O ATOM 2260 CB ILE A 645 0.219 15.351 2.457 1.00 30.32 C ATOM 2261 CG1 ILE A 645 -0.004 15.031 0.956 1.00 12.42 C ATOM 2262 CG2 ILE A 645 0.550 16.826 2.620 1.00 34.13 C ATOM 2263 CD1 ILE A 645 -0.801 13.777 0.677 1.00 74.43 C ATOM 0 H ILE A 645 0.064 12.824 3.211 1.00 31.22 H new ATOM 0 HA ILE A 645 2.216 14.606 2.448 1.00 23.30 H new ATOM 0 HB ILE A 645 -0.703 15.126 2.993 1.00 30.32 H new ATOM 0 HG12 ILE A 645 -0.513 15.876 0.492 1.00 12.42 H new ATOM 0 HG13 ILE A 645 0.968 14.940 0.472 1.00 12.42 H new ATOM 0 HG21 ILE A 645 -0.243 17.428 2.177 1.00 34.13 H new ATOM 0 HG22 ILE A 645 0.637 17.064 3.680 1.00 34.13 H new ATOM 0 HG23 ILE A 645 1.494 17.044 2.120 1.00 34.13 H new ATOM 0 HD11 ILE A 645 -0.901 13.642 -0.400 1.00 74.43 H new ATOM 0 HD12 ILE A 645 -0.287 12.916 1.104 1.00 74.43 H new ATOM 0 HD13 ILE A 645 -1.791 13.868 1.125 1.00 74.43 H new ATOM 2275 N ILE A 646 2.823 15.392 4.717 1.00 61.02 N ATOM 2276 CA ILE A 646 3.274 15.817 6.018 1.00 63.43 C ATOM 2277 C ILE A 646 3.202 17.294 5.984 1.00 72.15 C ATOM 2278 O ILE A 646 3.705 17.906 5.035 1.00 50.04 O ATOM 2279 CB ILE A 646 4.768 15.422 6.334 1.00 53.41 C ATOM 2280 CG1 ILE A 646 5.113 14.007 5.853 1.00 14.51 C ATOM 2281 CG2 ILE A 646 5.074 15.550 7.833 1.00 53.35 C ATOM 2282 CD1 ILE A 646 5.422 13.931 4.372 1.00 32.54 C ATOM 0 H ILE A 646 3.509 15.532 3.975 1.00 61.02 H new ATOM 0 HA ILE A 646 2.658 15.340 6.781 1.00 63.43 H new ATOM 0 HB ILE A 646 5.392 16.125 5.782 1.00 53.41 H new ATOM 0 HG12 ILE A 646 5.972 13.640 6.415 1.00 14.51 H new ATOM 0 HG13 ILE A 646 4.279 13.342 6.077 1.00 14.51 H new ATOM 0 HG21 ILE A 646 6.111 15.271 8.018 1.00 53.35 H new ATOM 0 HG22 ILE A 646 4.914 16.580 8.150 1.00 53.35 H new ATOM 0 HG23 ILE A 646 4.415 14.890 8.397 1.00 53.35 H new ATOM 0 HD11 ILE A 646 5.657 12.902 4.102 1.00 32.54 H new ATOM 0 HD12 ILE A 646 4.556 14.267 3.802 1.00 32.54 H new ATOM 0 HD13 ILE A 646 6.276 14.570 4.145 1.00 32.54 H new ATOM 2294 N GLU A 647 2.575 17.867 6.944 1.00 4.52 N ATOM 2295 CA GLU A 647 2.402 19.279 6.951 1.00 43.24 C ATOM 2296 C GLU A 647 2.401 19.846 8.357 1.00 1.23 C ATOM 2297 O GLU A 647 2.403 19.089 9.351 1.00 34.32 O ATOM 2298 CB GLU A 647 1.138 19.659 6.161 1.00 33.32 C ATOM 2299 CG GLU A 647 -0.088 18.796 6.465 1.00 11.42 C ATOM 2300 CD GLU A 647 -1.310 19.255 5.720 1.00 2.43 C ATOM 2301 OE1 GLU A 647 -1.813 20.361 6.023 1.00 4.14 O ATOM 2302 OE2 GLU A 647 -1.805 18.531 4.808 1.00 54.31 O ATOM 0 H GLU A 647 2.169 17.379 7.742 1.00 4.52 H new ATOM 0 HA GLU A 647 3.258 19.733 6.452 1.00 43.24 H new ATOM 0 HB2 GLU A 647 0.894 20.700 6.371 1.00 33.32 H new ATOM 0 HB3 GLU A 647 1.358 19.592 5.096 1.00 33.32 H new ATOM 0 HG2 GLU A 647 0.126 17.760 6.203 1.00 11.42 H new ATOM 0 HG3 GLU A 647 -0.289 18.819 7.536 1.00 11.42 H new ATOM 2309 N GLU A 648 2.439 21.181 8.422 1.00 14.14 N ATOM 2310 CA GLU A 648 2.418 21.942 9.664 1.00 30.02 C ATOM 2311 C GLU A 648 1.231 21.505 10.514 1.00 63.21 C ATOM 2312 O GLU A 648 0.110 21.317 9.997 1.00 13.04 O ATOM 2313 CB GLU A 648 2.308 23.439 9.355 1.00 63.43 C ATOM 2314 CG GLU A 648 3.431 23.997 8.481 1.00 21.42 C ATOM 2315 CD GLU A 648 4.793 23.939 9.138 1.00 65.14 C ATOM 2316 OE1 GLU A 648 5.152 24.875 9.877 1.00 51.42 O ATOM 2317 OE2 GLU A 648 5.550 22.961 8.905 1.00 43.23 O ATOM 0 H GLU A 648 2.486 21.771 7.591 1.00 14.14 H new ATOM 0 HA GLU A 648 3.342 21.757 10.212 1.00 30.02 H new ATOM 0 HB2 GLU A 648 1.355 23.624 8.860 1.00 63.43 H new ATOM 0 HB3 GLU A 648 2.291 23.990 10.296 1.00 63.43 H new ATOM 0 HG2 GLU A 648 3.464 23.439 7.545 1.00 21.42 H new ATOM 0 HG3 GLU A 648 3.203 25.032 8.227 1.00 21.42 H new ATOM 2324 N SER A 649 1.455 21.354 11.789 1.00 43.50 N ATOM 2325 CA SER A 649 0.456 20.835 12.658 1.00 31.25 C ATOM 2326 C SER A 649 -0.590 21.907 13.039 1.00 24.22 C ATOM 2327 O SER A 649 -0.431 22.664 14.010 1.00 24.24 O ATOM 2328 CB SER A 649 1.096 20.166 13.885 1.00 64.20 C ATOM 2329 OG SER A 649 0.153 19.389 14.617 1.00 3.24 O ATOM 0 H SER A 649 2.336 21.589 12.247 1.00 43.50 H new ATOM 0 HA SER A 649 -0.092 20.062 12.120 1.00 31.25 H new ATOM 0 HB2 SER A 649 1.920 19.529 13.563 1.00 64.20 H new ATOM 0 HB3 SER A 649 1.520 20.931 14.536 1.00 64.20 H new ATOM 0 HG SER A 649 0.596 18.978 15.388 1.00 3.24 H new