USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 697 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 47 ASN :FLIP amide:sc= 0.0823 F(o=-7.2!,f=-2) USER MOD Set 1.2: A 50 ASN : amide:sc= -0.589 K(o=-2,f=-5.2!) USER MOD Set 1.3: A 61 HIS :FLIP no HD1:sc= -1.52 F(o=-3.4,f=-2) USER MOD Set 2.1: A 35 SER OG : rot -90:sc= 1.25 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 1.05 USER MOD Set 3.1: A 0 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.579 USER MOD Single : A -3 GLY N :NH3+ -129:sc= -0.0948 (180deg=-1.45) USER MOD Single : A 11 ASN : amide:sc= -1.92 K(o=-1.9,f=-4.4!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 140:sc= -0.0353 (180deg=-1.54!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 152:sc= -1.06 (180deg=-3.19!) USER MOD Single : A 44 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.9!) USER MOD Single : A 51 THR OG1 : rot -59:sc= 0.919 USER MOD Single : A 54 GLN : amide:sc= -1.75 K(o=-1.8,f=-3.5) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.012 USER MOD Single : A 69 TYR OH : rot -147:sc= -0.421 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= -0.642 (180deg=-0.804) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc=-0.00206 X(o=-0.0021,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 3.451 0.352 -5.564 1.00 0.00 N ATOM 2 CA GLY A -3 4.896 0.304 -5.439 1.00 0.00 C ATOM 3 C GLY A -3 5.358 0.432 -4.001 1.00 0.00 C ATOM 4 O GLY A -3 5.946 1.437 -3.602 1.00 0.00 O ATOM 0 H1 GLY A -3 3.124 -0.459 -6.128 1.00 0.00 H new ATOM 0 H2 GLY A -3 3.019 0.313 -4.619 1.00 0.00 H new ATOM 0 H3 GLY A -3 3.173 1.236 -6.035 1.00 0.00 H new ATOM 0 HA2 GLY A -3 5.262 -0.635 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A -3 5.336 1.106 -6.031 1.00 0.00 H new ATOM 8 N PRO A -2 5.089 -0.606 -3.195 1.00 0.00 N ATOM 9 CA PRO A -2 5.472 -0.629 -1.780 1.00 0.00 C ATOM 10 C PRO A -2 6.981 -0.746 -1.590 1.00 0.00 C ATOM 11 O PRO A -2 7.559 -1.815 -1.778 1.00 0.00 O ATOM 12 CB PRO A -2 4.767 -1.877 -1.243 1.00 0.00 C ATOM 13 CG PRO A -2 4.597 -2.758 -2.432 1.00 0.00 C ATOM 14 CD PRO A -2 4.392 -1.837 -3.603 1.00 0.00 C ATOM 0 HA PRO A -2 5.191 0.290 -1.266 1.00 0.00 H new ATOM 0 HB2 PRO A -2 5.361 -2.365 -0.470 1.00 0.00 H new ATOM 0 HB3 PRO A -2 3.805 -1.626 -0.795 1.00 0.00 H new ATOM 0 HG2 PRO A -2 5.474 -3.388 -2.580 1.00 0.00 H new ATOM 0 HG3 PRO A -2 3.744 -3.424 -2.305 1.00 0.00 H new ATOM 0 HD2 PRO A -2 4.812 -2.252 -4.519 1.00 0.00 H new ATOM 0 HD3 PRO A -2 3.334 -1.656 -3.791 1.00 0.00 H new ATOM 22 N GLY A -1 7.613 0.362 -1.214 1.00 0.00 N ATOM 23 CA GLY A -1 9.048 0.362 -1.004 1.00 0.00 C ATOM 24 C GLY A -1 9.797 1.075 -2.113 1.00 0.00 C ATOM 25 O GLY A -1 10.127 0.473 -3.135 1.00 0.00 O ATOM 0 H GLY A -1 7.156 1.259 -1.051 1.00 0.00 H new ATOM 0 HA2 GLY A -1 9.273 0.842 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.402 -0.667 -0.934 1.00 0.00 H new ATOM 29 N SER A 0 10.064 2.361 -1.914 1.00 0.00 N ATOM 30 CA SER A 0 10.773 3.158 -2.908 1.00 0.00 C ATOM 31 C SER A 0 11.772 4.098 -2.239 1.00 0.00 C ATOM 32 O SER A 0 11.392 4.977 -1.466 1.00 0.00 O ATOM 33 CB SER A 0 9.781 3.965 -3.748 1.00 0.00 C ATOM 34 OG SER A 0 10.450 4.713 -4.749 1.00 0.00 O ATOM 0 H SER A 0 9.800 2.874 -1.073 1.00 0.00 H new ATOM 0 HA SER A 0 11.321 2.477 -3.560 1.00 0.00 H new ATOM 0 HB2 SER A 0 9.061 3.291 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 0 9.217 4.638 -3.103 1.00 0.00 H new ATOM 0 HG SER A 0 9.794 5.218 -5.273 1.00 0.00 H new ATOM 40 N MET A 1 13.051 3.904 -2.542 1.00 0.00 N ATOM 41 CA MET A 1 14.106 4.735 -1.972 1.00 0.00 C ATOM 42 C MET A 1 14.767 5.589 -3.048 1.00 0.00 C ATOM 43 O MET A 1 14.770 5.230 -4.226 1.00 0.00 O ATOM 44 CB MET A 1 15.155 3.861 -1.282 1.00 0.00 C ATOM 45 CG MET A 1 14.622 3.115 -0.069 1.00 0.00 C ATOM 46 SD MET A 1 15.741 1.818 0.495 1.00 0.00 S ATOM 47 CE MET A 1 15.030 0.385 -0.311 1.00 0.00 C ATOM 0 H MET A 1 13.382 3.179 -3.179 1.00 0.00 H new ATOM 0 HA MET A 1 13.654 5.398 -1.235 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.544 3.139 -2.000 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.992 4.487 -0.974 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.453 3.823 0.743 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.655 2.675 -0.314 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.613 -0.501 -0.059 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.002 0.251 0.026 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.042 0.532 -1.391 1.00 0.00 H new ATOM 57 N LYS A 2 15.326 6.722 -2.637 1.00 0.00 N ATOM 58 CA LYS A 2 15.992 7.628 -3.566 1.00 0.00 C ATOM 59 C LYS A 2 17.505 7.438 -3.522 1.00 0.00 C ATOM 60 O LYS A 2 18.015 6.634 -2.742 1.00 0.00 O ATOM 61 CB LYS A 2 15.640 9.080 -3.234 1.00 0.00 C ATOM 62 CG LYS A 2 14.446 9.610 -4.009 1.00 0.00 C ATOM 63 CD LYS A 2 13.150 9.409 -3.242 1.00 0.00 C ATOM 64 CE LYS A 2 12.507 8.072 -3.575 1.00 0.00 C ATOM 65 NZ LYS A 2 11.021 8.134 -3.489 1.00 0.00 N ATOM 0 H LYS A 2 15.331 7.035 -1.666 1.00 0.00 H new ATOM 0 HA LYS A 2 15.644 7.396 -4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.434 9.160 -2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.505 9.711 -3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.587 10.671 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.382 9.104 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.348 9.462 -2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.457 10.216 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.800 7.768 -4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.879 7.310 -2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.621 7.203 -3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.740 8.399 -2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.664 8.843 -4.160 1.00 0.00 H new ATOM 79 N GLU A 3 18.215 8.183 -4.362 1.00 0.00 N ATOM 80 CA GLU A 3 19.670 8.096 -4.417 1.00 0.00 C ATOM 81 C GLU A 3 20.300 9.485 -4.404 1.00 0.00 C ATOM 82 O GLU A 3 19.738 10.438 -4.947 1.00 0.00 O ATOM 83 CB GLU A 3 20.110 7.336 -5.670 1.00 0.00 C ATOM 84 CG GLU A 3 19.950 8.134 -6.953 1.00 0.00 C ATOM 85 CD GLU A 3 20.067 7.271 -8.195 1.00 0.00 C ATOM 86 OE1 GLU A 3 20.866 6.311 -8.177 1.00 0.00 O ATOM 87 OE2 GLU A 3 19.361 7.556 -9.185 1.00 0.00 O ATOM 0 H GLU A 3 17.807 8.853 -5.014 1.00 0.00 H new ATOM 0 HA GLU A 3 20.009 7.555 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.155 7.046 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.530 6.416 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.979 8.630 -6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.708 8.917 -6.986 1.00 0.00 H new ATOM 94 N ILE A 4 21.468 9.593 -3.781 1.00 0.00 N ATOM 95 CA ILE A 4 22.175 10.866 -3.698 1.00 0.00 C ATOM 96 C ILE A 4 23.499 10.809 -4.452 1.00 0.00 C ATOM 97 O ILE A 4 24.231 9.823 -4.367 1.00 0.00 O ATOM 98 CB ILE A 4 22.446 11.264 -2.235 1.00 0.00 C ATOM 99 CG1 ILE A 4 22.848 12.738 -2.152 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.529 10.379 -1.637 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.333 12.970 -2.322 1.00 0.00 C ATOM 0 H ILE A 4 21.945 8.815 -3.326 1.00 0.00 H new ATOM 0 HA ILE A 4 21.531 11.616 -4.157 1.00 0.00 H new ATOM 0 HB ILE A 4 21.531 11.123 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.311 13.296 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.534 13.138 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 4 23.709 10.673 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.207 9.338 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.449 10.491 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 4 24.545 14.037 -2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 4 24.876 12.440 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.650 12.601 -3.297 1.00 0.00 H new ATOM 113 N ILE A 5 23.801 11.875 -5.187 1.00 0.00 N ATOM 114 CA ILE A 5 25.038 11.948 -5.953 1.00 0.00 C ATOM 115 C ILE A 5 25.780 13.251 -5.676 1.00 0.00 C ATOM 116 O ILE A 5 25.165 14.281 -5.398 1.00 0.00 O ATOM 117 CB ILE A 5 24.772 11.833 -7.465 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.701 10.775 -7.738 1.00 0.00 C ATOM 119 CG2 ILE A 5 26.057 11.496 -8.206 1.00 0.00 C ATOM 120 CD1 ILE A 5 23.405 10.579 -9.208 1.00 0.00 C ATOM 0 H ILE A 5 23.206 12.699 -5.268 1.00 0.00 H new ATOM 0 HA ILE A 5 25.655 11.107 -5.636 1.00 0.00 H new ATOM 0 HB ILE A 5 24.408 12.794 -7.828 1.00 0.00 H new ATOM 0 HG12 ILE A 5 24.023 9.825 -7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.782 11.060 -7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.852 11.418 -9.274 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.793 12.282 -8.034 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.449 10.546 -7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.637 9.815 -9.326 1.00 0.00 H new ATOM 0 HD12 ILE A 5 23.052 11.517 -9.636 1.00 0.00 H new ATOM 0 HD13 ILE A 5 24.312 10.264 -9.723 1.00 0.00 H new ATOM 132 N LEU A 6 27.105 13.200 -5.756 1.00 0.00 N ATOM 133 CA LEU A 6 27.932 14.377 -5.516 1.00 0.00 C ATOM 134 C LEU A 6 28.869 14.633 -6.693 1.00 0.00 C ATOM 135 O LEU A 6 29.765 13.836 -6.971 1.00 0.00 O ATOM 136 CB LEU A 6 28.744 14.201 -4.232 1.00 0.00 C ATOM 137 CG LEU A 6 29.017 12.759 -3.802 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.418 12.630 -3.224 1.00 0.00 C ATOM 139 CD2 LEU A 6 27.976 12.297 -2.793 1.00 0.00 C ATOM 0 H LEU A 6 27.630 12.356 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 6 27.273 15.238 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.700 14.708 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.219 14.707 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 6 28.950 12.119 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.594 11.597 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.151 12.919 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.515 13.282 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.186 11.269 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 6 28.011 12.941 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 6 26.985 12.350 -3.243 1.00 0.00 H new ATOM 151 N TYR A 7 28.657 15.751 -7.378 1.00 0.00 N ATOM 152 CA TYR A 7 29.482 16.112 -8.525 1.00 0.00 C ATOM 153 C TYR A 7 30.588 17.081 -8.116 1.00 0.00 C ATOM 154 O TYR A 7 30.323 18.223 -7.739 1.00 0.00 O ATOM 155 CB TYR A 7 28.621 16.738 -9.623 1.00 0.00 C ATOM 156 CG TYR A 7 27.577 15.798 -10.183 1.00 0.00 C ATOM 157 CD1 TYR A 7 26.344 15.647 -9.561 1.00 0.00 C ATOM 158 CD2 TYR A 7 27.825 15.061 -11.335 1.00 0.00 C ATOM 159 CE1 TYR A 7 25.388 14.789 -10.069 1.00 0.00 C ATOM 160 CE2 TYR A 7 26.874 14.201 -11.850 1.00 0.00 C ATOM 161 CZ TYR A 7 25.658 14.069 -11.214 1.00 0.00 C ATOM 162 OH TYR A 7 24.708 13.213 -11.724 1.00 0.00 O ATOM 0 H TYR A 7 27.921 16.423 -7.159 1.00 0.00 H new ATOM 0 HA TYR A 7 29.943 15.202 -8.909 1.00 0.00 H new ATOM 0 HB2 TYR A 7 28.125 17.623 -9.224 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.268 17.074 -10.434 1.00 0.00 H new ATOM 0 HD1 TYR A 7 26.129 16.210 -8.665 1.00 0.00 H new ATOM 0 HD2 TYR A 7 28.777 15.162 -11.836 1.00 0.00 H new ATOM 0 HE1 TYR A 7 24.435 14.683 -9.573 1.00 0.00 H new ATOM 0 HE2 TYR A 7 27.082 13.635 -12.746 1.00 0.00 H new ATOM 0 HH TYR A 7 23.814 13.549 -11.505 1.00 0.00 H new ATOM 172 N THR A 8 31.831 16.616 -8.195 1.00 0.00 N ATOM 173 CA THR A 8 32.979 17.439 -7.834 1.00 0.00 C ATOM 174 C THR A 8 34.288 16.706 -8.104 1.00 0.00 C ATOM 175 O THR A 8 34.287 15.564 -8.564 1.00 0.00 O ATOM 176 CB THR A 8 32.930 17.850 -6.350 1.00 0.00 C ATOM 177 OG1 THR A 8 33.926 18.845 -6.084 1.00 0.00 O ATOM 178 CG2 THR A 8 33.155 16.646 -5.447 1.00 0.00 C ATOM 0 H THR A 8 32.068 15.674 -8.506 1.00 0.00 H new ATOM 0 HA THR A 8 32.934 18.335 -8.453 1.00 0.00 H new ATOM 0 HB THR A 8 31.942 18.261 -6.142 1.00 0.00 H new ATOM 0 HG1 THR A 8 33.887 19.102 -5.139 1.00 0.00 H new ATOM 0 HG21 THR A 8 33.116 16.961 -4.404 1.00 0.00 H new ATOM 0 HG22 THR A 8 32.379 15.903 -5.631 1.00 0.00 H new ATOM 0 HG23 THR A 8 34.132 16.210 -5.658 1.00 0.00 H new ATOM 186 N ARG A 9 35.403 17.369 -7.813 1.00 0.00 N ATOM 187 CA ARG A 9 36.719 16.780 -8.026 1.00 0.00 C ATOM 188 C ARG A 9 37.156 15.972 -6.807 1.00 0.00 C ATOM 189 O ARG A 9 36.687 16.186 -5.689 1.00 0.00 O ATOM 190 CB ARG A 9 37.748 17.872 -8.323 1.00 0.00 C ATOM 191 CG ARG A 9 37.790 18.971 -7.273 1.00 0.00 C ATOM 192 CD ARG A 9 37.659 20.348 -7.904 1.00 0.00 C ATOM 193 NE ARG A 9 36.263 20.733 -8.092 1.00 0.00 N ATOM 194 CZ ARG A 9 35.457 21.087 -7.098 1.00 0.00 C ATOM 195 NH1 ARG A 9 35.907 21.105 -5.850 1.00 0.00 N ATOM 196 NH2 ARG A 9 34.199 21.424 -7.349 1.00 0.00 N ATOM 0 H ARG A 9 35.421 18.314 -7.429 1.00 0.00 H new ATOM 0 HA ARG A 9 36.655 16.108 -8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.736 17.417 -8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.524 18.316 -9.293 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.984 18.820 -6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 9 38.727 18.911 -6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 9 38.156 21.085 -7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 9 38.170 20.356 -8.867 1.00 0.00 H new ATOM 0 HE ARG A 9 35.886 20.730 -9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.874 20.847 -5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 9 35.286 21.377 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 9 33.849 21.411 -8.307 1.00 0.00 H new ATOM 0 HH22 ARG A 9 33.581 21.696 -6.584 1.00 0.00 H new ATOM 210 N PRO A 10 38.076 15.020 -7.026 1.00 0.00 N ATOM 211 CA PRO A 10 38.596 14.161 -5.958 1.00 0.00 C ATOM 212 C PRO A 10 39.478 14.926 -4.977 1.00 0.00 C ATOM 213 O PRO A 10 39.753 14.452 -3.876 1.00 0.00 O ATOM 214 CB PRO A 10 39.418 13.115 -6.714 1.00 0.00 C ATOM 215 CG PRO A 10 39.813 13.788 -7.983 1.00 0.00 C ATOM 216 CD PRO A 10 38.679 14.710 -8.333 1.00 0.00 C ATOM 0 HA PRO A 10 37.797 13.737 -5.350 1.00 0.00 H new ATOM 0 HB2 PRO A 10 40.292 12.808 -6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.833 12.216 -6.908 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.743 14.343 -7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.982 13.059 -8.775 1.00 0.00 H new ATOM 0 HD2 PRO A 10 39.033 15.610 -8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.964 14.232 -9.002 1.00 0.00 H new ATOM 224 N ASN A 11 39.920 16.111 -5.385 1.00 0.00 N ATOM 225 CA ASN A 11 40.771 16.941 -4.542 1.00 0.00 C ATOM 226 C ASN A 11 39.941 17.954 -3.759 1.00 0.00 C ATOM 227 O ASN A 11 40.365 19.091 -3.547 1.00 0.00 O ATOM 228 CB ASN A 11 41.814 17.669 -5.393 1.00 0.00 C ATOM 229 CG ASN A 11 41.206 18.317 -6.622 1.00 0.00 C ATOM 230 OD1 ASN A 11 40.872 17.640 -7.594 1.00 0.00 O ATOM 231 ND2 ASN A 11 41.061 19.637 -6.584 1.00 0.00 N ATOM 0 H ASN A 11 39.703 16.518 -6.295 1.00 0.00 H new ATOM 0 HA ASN A 11 41.281 16.290 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 11 42.304 18.432 -4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 11 42.585 16.963 -5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 11 40.659 20.129 -7.382 1.00 0.00 H new ATOM 0 HD22 ASN A 11 41.352 20.158 -5.757 1.00 0.00 H new ATOM 238 N CYS A 12 38.755 17.534 -3.331 1.00 0.00 N ATOM 239 CA CYS A 12 37.864 18.402 -2.572 1.00 0.00 C ATOM 240 C CYS A 12 37.825 17.991 -1.103 1.00 0.00 C ATOM 241 O CYS A 12 37.062 17.114 -0.698 1.00 0.00 O ATOM 242 CB CYS A 12 36.453 18.361 -3.161 1.00 0.00 C ATOM 243 SG CYS A 12 35.182 19.124 -2.102 1.00 0.00 S ATOM 0 H CYS A 12 38.389 16.597 -3.497 1.00 0.00 H new ATOM 0 HA CYS A 12 38.248 19.420 -2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.459 18.868 -4.126 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.179 17.323 -3.348 1.00 0.00 H new ATOM 248 N PRO A 13 38.668 18.640 -0.285 1.00 0.00 N ATOM 249 CA PRO A 13 38.749 18.359 1.152 1.00 0.00 C ATOM 250 C PRO A 13 37.506 18.823 1.904 1.00 0.00 C ATOM 251 O PRO A 13 37.154 18.266 2.944 1.00 0.00 O ATOM 252 CB PRO A 13 39.975 19.159 1.601 1.00 0.00 C ATOM 253 CG PRO A 13 40.092 20.262 0.607 1.00 0.00 C ATOM 254 CD PRO A 13 39.605 19.697 -0.699 1.00 0.00 C ATOM 0 HA PRO A 13 38.822 17.291 1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.846 19.548 2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.871 18.538 1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.494 21.123 0.907 1.00 0.00 H new ATOM 0 HG3 PRO A 13 41.124 20.604 0.524 1.00 0.00 H new ATOM 0 HD2 PRO A 13 39.112 20.456 -1.306 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.425 19.296 -1.294 1.00 0.00 H new ATOM 262 N TYR A 14 36.845 19.845 1.372 1.00 0.00 N ATOM 263 CA TYR A 14 35.642 20.384 1.994 1.00 0.00 C ATOM 264 C TYR A 14 34.462 19.435 1.812 1.00 0.00 C ATOM 265 O TYR A 14 33.402 19.620 2.412 1.00 0.00 O ATOM 266 CB TYR A 14 35.306 21.753 1.401 1.00 0.00 C ATOM 267 CG TYR A 14 36.073 22.892 2.034 1.00 0.00 C ATOM 268 CD1 TYR A 14 37.388 23.157 1.671 1.00 0.00 C ATOM 269 CD2 TYR A 14 35.483 23.704 2.995 1.00 0.00 C ATOM 270 CE1 TYR A 14 38.093 24.196 2.247 1.00 0.00 C ATOM 271 CE2 TYR A 14 36.180 24.746 3.575 1.00 0.00 C ATOM 272 CZ TYR A 14 37.484 24.988 3.198 1.00 0.00 C ATOM 273 OH TYR A 14 38.182 26.024 3.775 1.00 0.00 O ATOM 0 H TYR A 14 37.122 20.317 0.511 1.00 0.00 H new ATOM 0 HA TYR A 14 35.834 20.495 3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.513 21.737 0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 14 34.238 21.937 1.516 1.00 0.00 H new ATOM 0 HD1 TYR A 14 37.867 22.540 0.925 1.00 0.00 H new ATOM 0 HD2 TYR A 14 34.462 23.517 3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 14 39.115 24.387 1.954 1.00 0.00 H new ATOM 0 HE2 TYR A 14 35.706 25.368 4.320 1.00 0.00 H new ATOM 0 HH TYR A 14 37.609 26.484 4.423 1.00 0.00 H new ATOM 283 N CYS A 15 34.653 18.417 0.980 1.00 0.00 N ATOM 284 CA CYS A 15 33.606 17.437 0.717 1.00 0.00 C ATOM 285 C CYS A 15 33.454 16.475 1.892 1.00 0.00 C ATOM 286 O CYS A 15 32.409 15.847 2.063 1.00 0.00 O ATOM 287 CB CYS A 15 33.920 16.654 -0.560 1.00 0.00 C ATOM 288 SG CYS A 15 33.700 17.613 -2.093 1.00 0.00 S ATOM 0 H CYS A 15 35.524 18.249 0.476 1.00 0.00 H new ATOM 0 HA CYS A 15 32.666 17.973 0.585 1.00 0.00 H new ATOM 0 HB2 CYS A 15 34.949 16.298 -0.511 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.279 15.773 -0.600 1.00 0.00 H new ATOM 293 N LYS A 16 34.503 16.365 2.699 1.00 0.00 N ATOM 294 CA LYS A 16 34.488 15.482 3.859 1.00 0.00 C ATOM 295 C LYS A 16 33.206 15.666 4.665 1.00 0.00 C ATOM 296 O LYS A 16 32.640 14.700 5.177 1.00 0.00 O ATOM 297 CB LYS A 16 35.705 15.752 4.747 1.00 0.00 C ATOM 298 CG LYS A 16 36.986 15.120 4.231 1.00 0.00 C ATOM 299 CD LYS A 16 38.215 15.793 4.818 1.00 0.00 C ATOM 300 CE LYS A 16 39.451 14.917 4.678 1.00 0.00 C ATOM 301 NZ LYS A 16 40.034 14.996 3.310 1.00 0.00 N ATOM 0 H LYS A 16 35.376 16.877 2.571 1.00 0.00 H new ATOM 0 HA LYS A 16 34.528 14.453 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.850 16.829 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.503 15.377 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 16 36.996 14.059 4.482 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.016 15.191 3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 16 38.384 16.746 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.042 16.014 5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 16 40.198 15.224 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 16 39.191 13.883 4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.874 14.385 3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.330 14.679 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.306 15.979 3.105 1.00 0.00 H new ATOM 315 N ARG A 17 32.753 16.911 4.773 1.00 0.00 N ATOM 316 CA ARG A 17 31.538 17.220 5.517 1.00 0.00 C ATOM 317 C ARG A 17 30.326 16.543 4.884 1.00 0.00 C ATOM 318 O ARG A 17 29.520 15.920 5.574 1.00 0.00 O ATOM 319 CB ARG A 17 31.320 18.733 5.572 1.00 0.00 C ATOM 320 CG ARG A 17 32.161 19.431 6.629 1.00 0.00 C ATOM 321 CD ARG A 17 31.984 20.941 6.573 1.00 0.00 C ATOM 322 NE ARG A 17 32.536 21.600 7.753 1.00 0.00 N ATOM 323 CZ ARG A 17 31.943 21.596 8.942 1.00 0.00 C ATOM 324 NH1 ARG A 17 30.787 20.970 9.108 1.00 0.00 N ATOM 325 NH2 ARG A 17 32.508 22.219 9.968 1.00 0.00 N ATOM 0 H ARG A 17 33.209 17.722 4.355 1.00 0.00 H new ATOM 0 HA ARG A 17 31.656 16.840 6.532 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.550 19.161 4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.266 18.933 5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 17 31.881 19.067 7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 17 33.212 19.181 6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 17 32.471 21.330 5.679 1.00 0.00 H new ATOM 0 HD3 ARG A 17 30.924 21.179 6.487 1.00 0.00 H new ATOM 0 HE ARG A 17 33.426 22.090 7.660 1.00 0.00 H new ATOM 0 HH11 ARG A 17 30.350 20.489 8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 17 30.334 20.969 10.022 1.00 0.00 H new ATOM 0 HH21 ARG A 17 33.398 22.701 9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 17 32.052 22.216 10.881 1.00 0.00 H new ATOM 339 N ALA A 18 30.205 16.671 3.567 1.00 0.00 N ATOM 340 CA ALA A 18 29.092 16.070 2.841 1.00 0.00 C ATOM 341 C ALA A 18 29.074 14.556 3.019 1.00 0.00 C ATOM 342 O ALA A 18 28.086 13.988 3.485 1.00 0.00 O ATOM 343 CB ALA A 18 29.171 16.429 1.364 1.00 0.00 C ATOM 0 H ALA A 18 30.863 17.185 2.981 1.00 0.00 H new ATOM 0 HA ALA A 18 28.164 16.469 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.334 15.974 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 18 29.127 17.512 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.108 16.058 0.949 1.00 0.00 H new ATOM 349 N ARG A 19 30.172 13.907 2.644 1.00 0.00 N ATOM 350 CA ARG A 19 30.280 12.458 2.760 1.00 0.00 C ATOM 351 C ARG A 19 29.969 12.003 4.183 1.00 0.00 C ATOM 352 O ARG A 19 29.394 10.934 4.391 1.00 0.00 O ATOM 353 CB ARG A 19 31.683 11.997 2.361 1.00 0.00 C ATOM 354 CG ARG A 19 32.782 12.542 3.259 1.00 0.00 C ATOM 355 CD ARG A 19 34.144 11.987 2.873 1.00 0.00 C ATOM 356 NE ARG A 19 34.751 12.738 1.778 1.00 0.00 N ATOM 357 CZ ARG A 19 36.031 12.636 1.438 1.00 0.00 C ATOM 358 NH1 ARG A 19 36.835 11.819 2.104 1.00 0.00 N ATOM 359 NH2 ARG A 19 36.510 13.353 0.429 1.00 0.00 N ATOM 0 H ARG A 19 30.999 14.362 2.257 1.00 0.00 H new ATOM 0 HA ARG A 19 29.552 12.008 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.717 10.908 2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.879 12.305 1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.800 13.630 3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.565 12.288 4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.805 12.012 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.040 10.942 2.582 1.00 0.00 H new ATOM 0 HE ARG A 19 34.160 13.376 1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 19 36.471 11.266 2.880 1.00 0.00 H new ATOM 0 HH12 ARG A 19 37.817 11.743 1.840 1.00 0.00 H new ATOM 0 HH21 ARG A 19 35.895 13.983 -0.086 1.00 0.00 H new ATOM 0 HH22 ARG A 19 37.493 13.274 0.169 1.00 0.00 H new ATOM 373 N ASP A 20 30.353 12.820 5.158 1.00 0.00 N ATOM 374 CA ASP A 20 30.114 12.501 6.561 1.00 0.00 C ATOM 375 C ASP A 20 28.622 12.526 6.877 1.00 0.00 C ATOM 376 O ASP A 20 28.114 11.661 7.593 1.00 0.00 O ATOM 377 CB ASP A 20 30.856 13.488 7.463 1.00 0.00 C ATOM 378 CG ASP A 20 30.399 13.409 8.906 1.00 0.00 C ATOM 379 OD1 ASP A 20 29.383 14.053 9.243 1.00 0.00 O ATOM 380 OD2 ASP A 20 31.058 12.705 9.700 1.00 0.00 O ATOM 0 H ASP A 20 30.831 13.708 5.003 1.00 0.00 H new ATOM 0 HA ASP A 20 30.490 11.495 6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 20 31.926 13.288 7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 20 30.703 14.501 7.091 1.00 0.00 H new ATOM 385 N LEU A 21 27.925 13.521 6.341 1.00 0.00 N ATOM 386 CA LEU A 21 26.490 13.659 6.567 1.00 0.00 C ATOM 387 C LEU A 21 25.736 12.443 6.038 1.00 0.00 C ATOM 388 O LEU A 21 24.936 11.837 6.752 1.00 0.00 O ATOM 389 CB LEU A 21 25.968 14.930 5.894 1.00 0.00 C ATOM 390 CG LEU A 21 24.521 15.311 6.210 1.00 0.00 C ATOM 391 CD1 LEU A 21 24.339 16.819 6.137 1.00 0.00 C ATOM 392 CD2 LEU A 21 23.565 14.609 5.257 1.00 0.00 C ATOM 0 H LEU A 21 28.330 14.245 5.747 1.00 0.00 H new ATOM 0 HA LEU A 21 26.321 13.729 7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 21 26.612 15.761 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.064 14.811 4.815 1.00 0.00 H new ATOM 0 HG LEU A 21 24.293 14.987 7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 21 23.303 17.072 6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.997 17.300 6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 21 24.585 17.167 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 21 22.540 14.892 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 21 23.792 14.902 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 21 23.677 13.530 5.359 1.00 0.00 H new ATOM 404 N LEU A 22 25.998 12.090 4.785 1.00 0.00 N ATOM 405 CA LEU A 22 25.346 10.945 4.160 1.00 0.00 C ATOM 406 C LEU A 22 25.684 9.655 4.902 1.00 0.00 C ATOM 407 O LEU A 22 24.792 8.928 5.341 1.00 0.00 O ATOM 408 CB LEU A 22 25.767 10.829 2.694 1.00 0.00 C ATOM 409 CG LEU A 22 25.883 12.145 1.924 1.00 0.00 C ATOM 410 CD1 LEU A 22 26.278 11.884 0.479 1.00 0.00 C ATOM 411 CD2 LEU A 22 24.575 12.919 1.990 1.00 0.00 C ATOM 0 H LEU A 22 26.658 12.580 4.181 1.00 0.00 H new ATOM 0 HA LEU A 22 24.268 11.100 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 22 26.730 10.320 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.048 10.192 2.179 1.00 0.00 H new ATOM 0 HG LEU A 22 26.662 12.749 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.356 12.832 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 22 27.240 11.372 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.522 11.261 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 22 24.676 13.853 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 22 23.776 12.322 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 22 24.334 13.138 3.030 1.00 0.00 H new ATOM 423 N ASP A 23 26.976 9.379 5.039 1.00 0.00 N ATOM 424 CA ASP A 23 27.432 8.179 5.730 1.00 0.00 C ATOM 425 C ASP A 23 26.854 8.111 7.140 1.00 0.00 C ATOM 426 O ASP A 23 26.468 7.042 7.614 1.00 0.00 O ATOM 427 CB ASP A 23 28.960 8.148 5.790 1.00 0.00 C ATOM 428 CG ASP A 23 29.499 6.771 6.122 1.00 0.00 C ATOM 429 OD1 ASP A 23 29.117 6.223 7.178 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.303 6.241 5.327 1.00 0.00 O ATOM 0 H ASP A 23 27.726 9.970 4.681 1.00 0.00 H new ATOM 0 HA ASP A 23 27.081 7.312 5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.365 8.472 4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 23 29.306 8.860 6.539 1.00 0.00 H new ATOM 435 N LYS A 24 26.797 9.259 7.807 1.00 0.00 N ATOM 436 CA LYS A 24 26.266 9.331 9.163 1.00 0.00 C ATOM 437 C LYS A 24 24.798 8.919 9.195 1.00 0.00 C ATOM 438 O LYS A 24 24.357 8.226 10.111 1.00 0.00 O ATOM 439 CB LYS A 24 26.422 10.749 9.718 1.00 0.00 C ATOM 440 CG LYS A 24 25.878 10.913 11.127 1.00 0.00 C ATOM 441 CD LYS A 24 26.717 11.885 11.939 1.00 0.00 C ATOM 442 CE LYS A 24 25.898 12.548 13.036 1.00 0.00 C ATOM 443 NZ LYS A 24 25.659 11.628 14.182 1.00 0.00 N ATOM 0 H LYS A 24 27.112 10.153 7.430 1.00 0.00 H new ATOM 0 HA LYS A 24 26.832 8.639 9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.478 11.019 9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.910 11.448 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 24 24.849 11.269 11.081 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.858 9.944 11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.561 11.356 12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.130 12.649 11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 24 26.417 13.440 13.388 1.00 0.00 H new ATOM 0 HE3 LYS A 24 24.942 12.876 12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 25.098 12.117 14.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 25.142 10.789 13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 26.571 11.335 14.588 1.00 0.00 H new ATOM 457 N LYS A 25 24.046 9.349 8.188 1.00 0.00 N ATOM 458 CA LYS A 25 22.627 9.023 8.098 1.00 0.00 C ATOM 459 C LYS A 25 22.428 7.550 7.759 1.00 0.00 C ATOM 460 O LYS A 25 21.457 6.929 8.190 1.00 0.00 O ATOM 461 CB LYS A 25 21.947 9.898 7.042 1.00 0.00 C ATOM 462 CG LYS A 25 21.013 10.942 7.627 1.00 0.00 C ATOM 463 CD LYS A 25 21.740 11.863 8.593 1.00 0.00 C ATOM 464 CE LYS A 25 21.108 11.829 9.977 1.00 0.00 C ATOM 465 NZ LYS A 25 21.427 13.054 10.762 1.00 0.00 N ATOM 0 H LYS A 25 24.395 9.925 7.422 1.00 0.00 H new ATOM 0 HA LYS A 25 22.173 9.218 9.069 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.713 10.399 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.384 9.260 6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.575 11.531 6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.191 10.447 8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 25 22.787 11.567 8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.722 12.883 8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.027 11.731 9.880 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.461 10.950 10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.585 13.355 11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.201 12.849 11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.718 13.815 10.115 1.00 0.00 H new ATOM 479 N GLY A 26 23.355 6.995 6.984 1.00 0.00 N ATOM 480 CA GLY A 26 23.263 5.598 6.601 1.00 0.00 C ATOM 481 C GLY A 26 22.632 5.411 5.236 1.00 0.00 C ATOM 482 O GLY A 26 21.702 4.620 5.076 1.00 0.00 O ATOM 0 H GLY A 26 24.168 7.488 6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.260 5.158 6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.678 5.058 7.345 1.00 0.00 H new ATOM 486 N VAL A 27 23.137 6.143 4.247 1.00 0.00 N ATOM 487 CA VAL A 27 22.617 6.055 2.888 1.00 0.00 C ATOM 488 C VAL A 27 23.732 5.761 1.891 1.00 0.00 C ATOM 489 O VAL A 27 24.906 5.694 2.256 1.00 0.00 O ATOM 490 CB VAL A 27 21.903 7.355 2.475 1.00 0.00 C ATOM 491 CG1 VAL A 27 20.458 7.346 2.952 1.00 0.00 C ATOM 492 CG2 VAL A 27 22.645 8.566 3.020 1.00 0.00 C ATOM 0 H VAL A 27 23.906 6.803 4.362 1.00 0.00 H new ATOM 0 HA VAL A 27 21.898 5.236 2.877 1.00 0.00 H new ATOM 0 HB VAL A 27 21.901 7.418 1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.970 8.273 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 27 19.934 6.499 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.434 7.260 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.127 9.476 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 27 22.680 8.512 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.661 8.579 2.624 1.00 0.00 H new ATOM 502 N LYS A 28 23.358 5.588 0.628 1.00 0.00 N ATOM 503 CA LYS A 28 24.325 5.303 -0.425 1.00 0.00 C ATOM 504 C LYS A 28 24.496 6.507 -1.347 1.00 0.00 C ATOM 505 O LYS A 28 23.550 6.933 -2.010 1.00 0.00 O ATOM 506 CB LYS A 28 23.882 4.084 -1.238 1.00 0.00 C ATOM 507 CG LYS A 28 24.462 2.774 -0.733 1.00 0.00 C ATOM 508 CD LYS A 28 25.836 2.508 -1.325 1.00 0.00 C ATOM 509 CE LYS A 28 25.752 1.604 -2.545 1.00 0.00 C ATOM 510 NZ LYS A 28 27.046 0.921 -2.819 1.00 0.00 N ATOM 0 H LYS A 28 22.391 5.640 0.309 1.00 0.00 H new ATOM 0 HA LYS A 28 25.284 5.088 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 28 22.794 4.021 -1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.176 4.225 -2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 28 24.532 2.801 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 28 23.790 1.955 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 28 26.303 3.453 -1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 28 26.475 2.046 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 28 24.973 0.858 -2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 28 25.461 2.193 -3.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 26.947 0.314 -3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 27.785 1.633 -2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 27.311 0.338 -2.000 1.00 0.00 H new ATOM 524 N TYR A 29 25.708 7.049 -1.385 1.00 0.00 N ATOM 525 CA TYR A 29 26.003 8.204 -2.225 1.00 0.00 C ATOM 526 C TYR A 29 26.952 7.826 -3.358 1.00 0.00 C ATOM 527 O TYR A 29 27.802 6.948 -3.205 1.00 0.00 O ATOM 528 CB TYR A 29 26.613 9.328 -1.387 1.00 0.00 C ATOM 529 CG TYR A 29 28.012 9.028 -0.898 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.119 9.282 -1.699 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.227 8.491 0.365 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.399 9.009 -1.257 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.504 8.216 0.816 1.00 0.00 C ATOM 534 CZ TYR A 29 30.586 8.476 0.002 1.00 0.00 C ATOM 535 OH TYR A 29 31.859 8.203 0.446 1.00 0.00 O ATOM 0 H TYR A 29 26.502 6.707 -0.844 1.00 0.00 H new ATOM 0 HA TYR A 29 25.067 8.552 -2.661 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.633 10.242 -1.980 1.00 0.00 H new ATOM 0 HB3 TYR A 29 25.970 9.519 -0.528 1.00 0.00 H new ATOM 0 HD1 TYR A 29 28.976 9.700 -2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.382 8.285 1.005 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.248 9.211 -1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 29 29.654 7.800 1.801 1.00 0.00 H new ATOM 0 HH TYR A 29 31.817 7.833 1.352 1.00 0.00 H new ATOM 545 N THR A 30 26.801 8.496 -4.496 1.00 0.00 N ATOM 546 CA THR A 30 27.643 8.232 -5.656 1.00 0.00 C ATOM 547 C THR A 30 28.520 9.434 -5.984 1.00 0.00 C ATOM 548 O THR A 30 28.019 10.530 -6.236 1.00 0.00 O ATOM 549 CB THR A 30 26.799 7.873 -6.893 1.00 0.00 C ATOM 550 OG1 THR A 30 26.069 6.665 -6.655 1.00 0.00 O ATOM 551 CG2 THR A 30 27.682 7.705 -8.121 1.00 0.00 C ATOM 0 H THR A 30 26.103 9.226 -4.639 1.00 0.00 H new ATOM 0 HA THR A 30 28.277 7.383 -5.400 1.00 0.00 H new ATOM 0 HB THR A 30 26.100 8.689 -7.077 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.534 6.445 -7.446 1.00 0.00 H new ATOM 0 HG21 THR A 30 27.063 7.452 -8.982 1.00 0.00 H new ATOM 0 HG22 THR A 30 28.213 8.636 -8.317 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.403 6.906 -7.944 1.00 0.00 H new ATOM 559 N ASP A 31 29.832 9.223 -5.980 1.00 0.00 N ATOM 560 CA ASP A 31 30.779 10.290 -6.280 1.00 0.00 C ATOM 561 C ASP A 31 31.001 10.414 -7.784 1.00 0.00 C ATOM 562 O ASP A 31 31.261 9.422 -8.467 1.00 0.00 O ATOM 563 CB ASP A 31 32.112 10.031 -5.575 1.00 0.00 C ATOM 564 CG ASP A 31 33.206 10.971 -6.042 1.00 0.00 C ATOM 565 OD1 ASP A 31 33.329 12.071 -5.465 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.939 10.606 -6.985 1.00 0.00 O ATOM 0 H ASP A 31 30.264 8.322 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 31 30.359 11.227 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 31 31.978 10.140 -4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.421 9.001 -5.755 1.00 0.00 H new ATOM 571 N ILE A 32 30.896 11.636 -8.294 1.00 0.00 N ATOM 572 CA ILE A 32 31.085 11.888 -9.718 1.00 0.00 C ATOM 573 C ILE A 32 32.296 12.782 -9.961 1.00 0.00 C ATOM 574 O ILE A 32 32.359 13.908 -9.468 1.00 0.00 O ATOM 575 CB ILE A 32 29.841 12.547 -10.343 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.608 11.667 -10.126 1.00 0.00 C ATOM 577 CG2 ILE A 32 30.064 12.799 -11.826 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.646 10.371 -10.906 1.00 0.00 C ATOM 0 H ILE A 32 30.681 12.467 -7.743 1.00 0.00 H new ATOM 0 HA ILE A 32 31.250 10.920 -10.191 1.00 0.00 H new ATOM 0 HB ILE A 32 29.671 13.506 -9.853 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.516 11.440 -9.064 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.717 12.227 -10.411 1.00 0.00 H new ATOM 0 HG21 ILE A 32 29.176 13.265 -12.253 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.920 13.461 -11.958 1.00 0.00 H new ATOM 0 HG23 ILE A 32 30.256 11.852 -12.331 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.741 9.798 -10.704 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.707 10.590 -11.972 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.518 9.790 -10.605 1.00 0.00 H new ATOM 590 N ASP A 33 33.255 12.273 -10.727 1.00 0.00 N ATOM 591 CA ASP A 33 34.464 13.026 -11.039 1.00 0.00 C ATOM 592 C ASP A 33 34.118 14.407 -11.589 1.00 0.00 C ATOM 593 O ASP A 33 33.148 14.565 -12.329 1.00 0.00 O ATOM 594 CB ASP A 33 35.321 12.261 -12.049 1.00 0.00 C ATOM 595 CG ASP A 33 36.734 12.802 -12.137 1.00 0.00 C ATOM 596 OD1 ASP A 33 37.152 13.524 -11.208 1.00 0.00 O ATOM 597 OD2 ASP A 33 37.423 12.502 -13.134 1.00 0.00 O ATOM 0 H ASP A 33 33.218 11.342 -11.143 1.00 0.00 H new ATOM 0 HA ASP A 33 35.031 13.154 -10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 33 35.355 11.208 -11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 33 34.853 12.314 -13.032 1.00 0.00 H new ATOM 602 N ALA A 34 34.917 15.402 -11.221 1.00 0.00 N ATOM 603 CA ALA A 34 34.696 16.769 -11.678 1.00 0.00 C ATOM 604 C ALA A 34 34.795 16.862 -13.197 1.00 0.00 C ATOM 605 O ALA A 34 34.335 17.831 -13.800 1.00 0.00 O ATOM 606 CB ALA A 34 35.693 17.713 -11.023 1.00 0.00 C ATOM 0 H ALA A 34 35.724 15.288 -10.607 1.00 0.00 H new ATOM 0 HA ALA A 34 33.688 17.065 -11.387 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.516 18.730 -11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.572 17.676 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.707 17.410 -11.285 1.00 0.00 H new ATOM 612 N SER A 35 35.400 15.850 -13.809 1.00 0.00 N ATOM 613 CA SER A 35 35.564 15.820 -15.258 1.00 0.00 C ATOM 614 C SER A 35 34.237 16.091 -15.960 1.00 0.00 C ATOM 615 O SER A 35 33.353 15.235 -15.994 1.00 0.00 O ATOM 616 CB SER A 35 36.123 14.467 -15.702 1.00 0.00 C ATOM 617 OG SER A 35 36.756 14.566 -16.966 1.00 0.00 O ATOM 0 H SER A 35 35.785 15.039 -13.324 1.00 0.00 H new ATOM 0 HA SER A 35 36.269 16.604 -15.536 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.836 14.104 -14.962 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.316 13.736 -15.752 1.00 0.00 H new ATOM 0 HG SER A 35 36.101 14.392 -17.674 1.00 0.00 H new ATOM 623 N THR A 36 34.106 17.289 -16.521 1.00 0.00 N ATOM 624 CA THR A 36 32.887 17.675 -17.222 1.00 0.00 C ATOM 625 C THR A 36 32.595 16.727 -18.379 1.00 0.00 C ATOM 626 O THR A 36 31.446 16.574 -18.794 1.00 0.00 O ATOM 627 CB THR A 36 32.983 19.114 -17.764 1.00 0.00 C ATOM 628 OG1 THR A 36 33.875 19.158 -18.883 1.00 0.00 O ATOM 629 CG2 THR A 36 33.469 20.068 -16.683 1.00 0.00 C ATOM 0 H THR A 36 34.829 18.009 -16.504 1.00 0.00 H new ATOM 0 HA THR A 36 32.075 17.621 -16.497 1.00 0.00 H new ATOM 0 HB THR A 36 31.988 19.426 -18.081 1.00 0.00 H new ATOM 0 HG1 THR A 36 33.929 20.076 -19.222 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.529 21.078 -17.089 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.772 20.054 -15.845 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.455 19.756 -16.339 1.00 0.00 H new ATOM 637 N SER A 37 33.642 16.092 -18.897 1.00 0.00 N ATOM 638 CA SER A 37 33.497 15.160 -20.009 1.00 0.00 C ATOM 639 C SER A 37 32.394 14.144 -19.727 1.00 0.00 C ATOM 640 O SER A 37 31.719 13.673 -20.643 1.00 0.00 O ATOM 641 CB SER A 37 34.819 14.435 -20.270 1.00 0.00 C ATOM 642 OG SER A 37 35.268 13.760 -19.108 1.00 0.00 O ATOM 0 H SER A 37 34.599 16.206 -18.564 1.00 0.00 H new ATOM 0 HA SER A 37 33.222 15.731 -20.896 1.00 0.00 H new ATOM 0 HB2 SER A 37 34.691 13.720 -21.083 1.00 0.00 H new ATOM 0 HB3 SER A 37 35.574 15.153 -20.592 1.00 0.00 H new ATOM 0 HG SER A 37 36.113 13.303 -19.301 1.00 0.00 H new ATOM 648 N LEU A 38 32.217 13.812 -18.453 1.00 0.00 N ATOM 649 CA LEU A 38 31.196 12.852 -18.048 1.00 0.00 C ATOM 650 C LEU A 38 30.232 13.473 -17.042 1.00 0.00 C ATOM 651 O LEU A 38 29.041 13.163 -17.036 1.00 0.00 O ATOM 652 CB LEU A 38 31.849 11.607 -17.444 1.00 0.00 C ATOM 653 CG LEU A 38 32.163 10.473 -18.420 1.00 0.00 C ATOM 654 CD1 LEU A 38 30.881 9.890 -18.992 1.00 0.00 C ATOM 655 CD2 LEU A 38 33.071 10.968 -19.537 1.00 0.00 C ATOM 0 H LEU A 38 32.767 14.193 -17.683 1.00 0.00 H new ATOM 0 HA LEU A 38 30.631 12.565 -18.935 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.777 11.908 -16.957 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.192 11.218 -16.666 1.00 0.00 H new ATOM 0 HG LEU A 38 32.684 9.685 -17.876 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.125 9.084 -19.684 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.266 9.498 -18.182 1.00 0.00 H new ATOM 0 HD13 LEU A 38 30.331 10.669 -19.521 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.284 10.148 -20.223 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.576 11.774 -20.078 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.004 11.337 -19.111 1.00 0.00 H new ATOM 667 N ARG A 39 30.756 14.353 -16.195 1.00 0.00 N ATOM 668 CA ARG A 39 29.941 15.019 -15.186 1.00 0.00 C ATOM 669 C ARG A 39 28.862 15.879 -15.838 1.00 0.00 C ATOM 670 O ARG A 39 27.713 15.886 -15.399 1.00 0.00 O ATOM 671 CB ARG A 39 30.820 15.885 -14.281 1.00 0.00 C ATOM 672 CG ARG A 39 30.031 16.822 -13.381 1.00 0.00 C ATOM 673 CD ARG A 39 30.084 18.255 -13.887 1.00 0.00 C ATOM 674 NE ARG A 39 31.315 18.932 -13.488 1.00 0.00 N ATOM 675 CZ ARG A 39 31.699 20.107 -13.973 1.00 0.00 C ATOM 676 NH1 ARG A 39 30.951 20.733 -14.871 1.00 0.00 N ATOM 677 NH2 ARG A 39 32.833 20.659 -13.561 1.00 0.00 N ATOM 0 H ARG A 39 31.740 14.621 -16.187 1.00 0.00 H new ATOM 0 HA ARG A 39 29.455 14.252 -14.584 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.439 15.236 -13.662 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.496 16.474 -14.901 1.00 0.00 H new ATOM 0 HG2 ARG A 39 28.994 16.491 -13.329 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.431 16.778 -12.368 1.00 0.00 H new ATOM 0 HD2 ARG A 39 30.005 18.259 -14.974 1.00 0.00 H new ATOM 0 HD3 ARG A 39 29.226 18.807 -13.503 1.00 0.00 H new ATOM 0 HE ARG A 39 31.913 18.477 -12.798 1.00 0.00 H new ATOM 0 HH11 ARG A 39 30.079 20.312 -15.191 1.00 0.00 H new ATOM 0 HH12 ARG A 39 31.248 21.635 -15.242 1.00 0.00 H new ATOM 0 HH21 ARG A 39 33.412 20.181 -12.870 1.00 0.00 H new ATOM 0 HH22 ARG A 39 33.126 21.562 -13.935 1.00 0.00 H new ATOM 691 N GLN A 40 29.242 16.602 -16.887 1.00 0.00 N ATOM 692 CA GLN A 40 28.307 17.465 -17.598 1.00 0.00 C ATOM 693 C GLN A 40 27.137 16.660 -18.153 1.00 0.00 C ATOM 694 O GLN A 40 25.986 17.090 -18.081 1.00 0.00 O ATOM 695 CB GLN A 40 29.021 18.199 -18.734 1.00 0.00 C ATOM 696 CG GLN A 40 28.146 19.219 -19.445 1.00 0.00 C ATOM 697 CD GLN A 40 28.619 19.512 -20.855 1.00 0.00 C ATOM 698 OE1 GLN A 40 27.855 19.399 -21.814 1.00 0.00 O ATOM 699 NE2 GLN A 40 29.884 19.892 -20.989 1.00 0.00 N ATOM 0 H GLN A 40 30.190 16.607 -17.263 1.00 0.00 H new ATOM 0 HA GLN A 40 27.917 18.197 -16.890 1.00 0.00 H new ATOM 0 HB2 GLN A 40 29.900 18.704 -18.333 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.376 17.468 -19.461 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.120 18.851 -19.479 1.00 0.00 H new ATOM 0 HG3 GLN A 40 28.134 20.145 -18.870 1.00 0.00 H new ATOM 0 HE21 GLN A 40 30.482 19.972 -20.167 1.00 0.00 H new ATOM 0 HE22 GLN A 40 30.258 20.103 -21.914 1.00 0.00 H new ATOM 708 N GLU A 41 27.440 15.490 -18.707 1.00 0.00 N ATOM 709 CA GLU A 41 26.412 14.626 -19.275 1.00 0.00 C ATOM 710 C GLU A 41 25.493 14.082 -18.184 1.00 0.00 C ATOM 711 O GLU A 41 24.271 14.082 -18.329 1.00 0.00 O ATOM 712 CB GLU A 41 27.054 13.467 -20.040 1.00 0.00 C ATOM 713 CG GLU A 41 28.264 13.877 -20.863 1.00 0.00 C ATOM 714 CD GLU A 41 27.986 15.073 -21.752 1.00 0.00 C ATOM 715 OE1 GLU A 41 27.125 14.958 -22.650 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.629 16.125 -21.551 1.00 0.00 O ATOM 0 H GLU A 41 28.388 15.119 -18.774 1.00 0.00 H new ATOM 0 HA GLU A 41 25.815 15.222 -19.965 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.352 12.695 -19.330 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.310 13.022 -20.700 1.00 0.00 H new ATOM 0 HG2 GLU A 41 29.092 14.111 -20.194 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.581 13.036 -21.480 1.00 0.00 H new ATOM 723 N MET A 42 26.092 13.619 -17.091 1.00 0.00 N ATOM 724 CA MET A 42 25.329 13.074 -15.975 1.00 0.00 C ATOM 725 C MET A 42 24.448 14.146 -15.343 1.00 0.00 C ATOM 726 O MET A 42 23.246 13.949 -15.159 1.00 0.00 O ATOM 727 CB MET A 42 26.272 12.486 -14.923 1.00 0.00 C ATOM 728 CG MET A 42 26.949 11.199 -15.365 1.00 0.00 C ATOM 729 SD MET A 42 26.494 9.788 -14.339 1.00 0.00 S ATOM 730 CE MET A 42 28.107 9.088 -13.992 1.00 0.00 C ATOM 0 H MET A 42 27.103 13.611 -16.955 1.00 0.00 H new ATOM 0 HA MET A 42 24.687 12.282 -16.360 1.00 0.00 H new ATOM 0 HB2 MET A 42 27.036 13.224 -14.679 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.710 12.296 -14.009 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.683 10.991 -16.401 1.00 0.00 H new ATOM 0 HG3 MET A 42 28.030 11.332 -15.334 1.00 0.00 H new ATOM 0 HE1 MET A 42 28.079 8.567 -13.035 1.00 0.00 H new ATOM 0 HE2 MET A 42 28.376 8.385 -14.781 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.848 9.886 -13.949 1.00 0.00 H new ATOM 740 N VAL A 43 25.053 15.283 -15.011 1.00 0.00 N ATOM 741 CA VAL A 43 24.323 16.387 -14.399 1.00 0.00 C ATOM 742 C VAL A 43 23.261 16.935 -15.346 1.00 0.00 C ATOM 743 O VAL A 43 22.223 17.430 -14.909 1.00 0.00 O ATOM 744 CB VAL A 43 25.272 17.530 -13.993 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.777 18.268 -15.223 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.575 18.486 -13.036 1.00 0.00 C ATOM 0 H VAL A 43 26.046 15.463 -15.156 1.00 0.00 H new ATOM 0 HA VAL A 43 23.840 15.991 -13.506 1.00 0.00 H new ATOM 0 HB VAL A 43 26.132 17.100 -13.479 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.446 19.072 -14.916 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.316 17.574 -15.868 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.932 18.688 -15.768 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.260 19.288 -12.759 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.697 18.911 -13.522 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.269 17.945 -12.141 1.00 0.00 H new ATOM 756 N GLN A 44 23.529 16.842 -16.645 1.00 0.00 N ATOM 757 CA GLN A 44 22.596 17.329 -17.654 1.00 0.00 C ATOM 758 C GLN A 44 21.378 16.418 -17.754 1.00 0.00 C ATOM 759 O GLN A 44 20.240 16.888 -17.789 1.00 0.00 O ATOM 760 CB GLN A 44 23.289 17.426 -19.014 1.00 0.00 C ATOM 761 CG GLN A 44 22.330 17.345 -20.192 1.00 0.00 C ATOM 762 CD GLN A 44 22.791 18.170 -21.377 1.00 0.00 C ATOM 763 OE1 GLN A 44 23.893 18.721 -21.374 1.00 0.00 O ATOM 764 NE2 GLN A 44 21.950 18.258 -22.400 1.00 0.00 N ATOM 0 H GLN A 44 24.384 16.434 -17.023 1.00 0.00 H new ATOM 0 HA GLN A 44 22.260 18.321 -17.354 1.00 0.00 H new ATOM 0 HB2 GLN A 44 23.838 18.366 -19.067 1.00 0.00 H new ATOM 0 HB3 GLN A 44 24.022 16.624 -19.097 1.00 0.00 H new ATOM 0 HG2 GLN A 44 22.223 16.304 -20.498 1.00 0.00 H new ATOM 0 HG3 GLN A 44 21.344 17.687 -19.877 1.00 0.00 H new ATOM 0 HE21 GLN A 44 21.047 17.785 -22.360 1.00 0.00 H new ATOM 0 HE22 GLN A 44 22.207 18.798 -23.226 1.00 0.00 H new ATOM 773 N ARG A 45 21.623 15.112 -17.799 1.00 0.00 N ATOM 774 CA ARG A 45 20.546 14.135 -17.896 1.00 0.00 C ATOM 775 C ARG A 45 19.893 13.908 -16.536 1.00 0.00 C ATOM 776 O ARG A 45 18.818 13.317 -16.443 1.00 0.00 O ATOM 777 CB ARG A 45 21.078 12.811 -18.446 1.00 0.00 C ATOM 778 CG ARG A 45 20.005 11.938 -19.076 1.00 0.00 C ATOM 779 CD ARG A 45 19.645 12.418 -20.473 1.00 0.00 C ATOM 780 NE ARG A 45 18.895 11.413 -21.222 1.00 0.00 N ATOM 781 CZ ARG A 45 19.445 10.319 -21.737 1.00 0.00 C ATOM 782 NH1 ARG A 45 20.742 10.090 -21.584 1.00 0.00 N ATOM 783 NH2 ARG A 45 18.697 9.450 -22.405 1.00 0.00 N ATOM 0 H ARG A 45 22.559 14.707 -17.770 1.00 0.00 H new ATOM 0 HA ARG A 45 19.793 14.528 -18.579 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.848 13.019 -19.189 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.556 12.258 -17.638 1.00 0.00 H new ATOM 0 HG2 ARG A 45 20.355 10.907 -19.123 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.114 11.944 -18.447 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.055 13.332 -20.401 1.00 0.00 H new ATOM 0 HD3 ARG A 45 20.556 12.669 -21.016 1.00 0.00 H new ATOM 0 HE ARG A 45 17.895 11.559 -21.357 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.320 10.755 -21.070 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.162 9.249 -21.980 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.699 9.622 -22.523 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.120 8.610 -22.800 1.00 0.00 H new ATOM 797 N ALA A 46 20.552 14.381 -15.483 1.00 0.00 N ATOM 798 CA ALA A 46 20.035 14.231 -14.128 1.00 0.00 C ATOM 799 C ALA A 46 19.166 15.421 -13.737 1.00 0.00 C ATOM 800 O ALA A 46 18.123 15.259 -13.105 1.00 0.00 O ATOM 801 CB ALA A 46 21.182 14.066 -13.142 1.00 0.00 C ATOM 0 H ALA A 46 21.445 14.871 -15.542 1.00 0.00 H new ATOM 0 HA ALA A 46 19.413 13.336 -14.099 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.782 13.955 -12.134 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.761 13.180 -13.402 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.826 14.945 -13.182 1.00 0.00 H new ATOM 807 N ASN A 47 19.603 16.618 -14.117 1.00 0.00 N ATOM 808 CA ASN A 47 18.864 17.836 -13.805 1.00 0.00 C ATOM 809 C ASN A 47 18.108 18.343 -15.029 1.00 0.00 C ATOM 810 O ASN A 47 16.922 18.661 -14.952 1.00 0.00 O ATOM 811 CB ASN A 47 19.818 18.919 -13.296 1.00 0.00 C ATOM 812 CG ASN A 47 19.435 20.302 -13.785 1.00 0.00 C ATOM 813 OD1 ASN A 47 20.265 20.874 -14.649 1.00 0.00 O flip ATOM 814 ND2 ASN A 47 18.406 20.850 -13.390 1.00 0.00 N flip ATOM 0 H ASN A 47 20.465 16.770 -14.641 1.00 0.00 H new ATOM 0 HA ASN A 47 18.140 17.602 -13.025 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.825 18.911 -12.206 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.832 18.689 -13.623 1.00 0.00 H new ATOM 0 HD21 ASN A 47 17.797 20.373 -12.725 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.162 21.781 -13.727 1.00 0.00 H new ATOM 821 N GLY A 48 18.804 18.415 -16.160 1.00 0.00 N ATOM 822 CA GLY A 48 18.183 18.883 -17.385 1.00 0.00 C ATOM 823 C GLY A 48 19.091 19.796 -18.184 1.00 0.00 C ATOM 824 O GLY A 48 19.142 19.713 -19.411 1.00 0.00 O ATOM 0 H GLY A 48 19.787 18.157 -16.249 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.905 18.026 -17.998 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.262 19.414 -17.142 1.00 0.00 H new ATOM 828 N ARG A 49 19.810 20.671 -17.487 1.00 0.00 N ATOM 829 CA ARG A 49 20.719 21.605 -18.140 1.00 0.00 C ATOM 830 C ARG A 49 21.668 22.238 -17.127 1.00 0.00 C ATOM 831 O ARG A 49 21.380 23.295 -16.567 1.00 0.00 O ATOM 832 CB ARG A 49 19.929 22.696 -18.865 1.00 0.00 C ATOM 833 CG ARG A 49 20.806 23.739 -19.538 1.00 0.00 C ATOM 834 CD ARG A 49 20.012 24.981 -19.907 1.00 0.00 C ATOM 835 NE ARG A 49 19.038 24.715 -20.963 1.00 0.00 N ATOM 836 CZ ARG A 49 19.353 24.642 -22.252 1.00 0.00 C ATOM 837 NH1 ARG A 49 20.608 24.815 -22.642 1.00 0.00 N ATOM 838 NH2 ARG A 49 18.411 24.396 -23.153 1.00 0.00 N ATOM 0 H ARG A 49 19.780 20.752 -16.471 1.00 0.00 H new ATOM 0 HA ARG A 49 21.310 21.049 -18.868 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.290 22.232 -19.616 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.272 23.192 -18.151 1.00 0.00 H new ATOM 0 HG2 ARG A 49 21.623 24.013 -18.871 1.00 0.00 H new ATOM 0 HG3 ARG A 49 21.256 23.314 -20.435 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.495 25.357 -19.024 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.696 25.765 -20.234 1.00 0.00 H new ATOM 0 HE ARG A 49 18.063 24.578 -20.696 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.335 25.005 -21.952 1.00 0.00 H new ATOM 0 HH12 ARG A 49 20.847 24.758 -23.632 1.00 0.00 H new ATOM 0 HH21 ARG A 49 17.444 24.263 -22.857 1.00 0.00 H new ATOM 0 HH22 ARG A 49 18.654 24.340 -24.142 1.00 0.00 H new ATOM 852 N ASN A 50 22.802 21.582 -16.896 1.00 0.00 N ATOM 853 CA ASN A 50 23.793 22.080 -15.950 1.00 0.00 C ATOM 854 C ASN A 50 25.203 21.686 -16.381 1.00 0.00 C ATOM 855 O ASN A 50 25.413 20.614 -16.950 1.00 0.00 O ATOM 856 CB ASN A 50 23.506 21.540 -14.547 1.00 0.00 C ATOM 857 CG ASN A 50 22.607 22.461 -13.745 1.00 0.00 C ATOM 858 OD1 ASN A 50 22.380 23.610 -14.125 1.00 0.00 O ATOM 859 ND2 ASN A 50 22.091 21.959 -12.630 1.00 0.00 N ATOM 0 H ASN A 50 23.056 20.705 -17.351 1.00 0.00 H new ATOM 0 HA ASN A 50 23.728 23.168 -15.933 1.00 0.00 H new ATOM 0 HB2 ASN A 50 23.038 20.559 -14.627 1.00 0.00 H new ATOM 0 HB3 ASN A 50 24.447 21.401 -14.015 1.00 0.00 H new ATOM 0 HD21 ASN A 50 21.478 22.531 -12.049 1.00 0.00 H new ATOM 0 HD22 ASN A 50 22.307 21.001 -12.354 1.00 0.00 H new ATOM 866 N THR A 51 26.166 22.559 -16.104 1.00 0.00 N ATOM 867 CA THR A 51 27.555 22.303 -16.463 1.00 0.00 C ATOM 868 C THR A 51 28.506 22.834 -15.396 1.00 0.00 C ATOM 869 O THR A 51 29.474 23.529 -15.704 1.00 0.00 O ATOM 870 CB THR A 51 27.913 22.943 -17.818 1.00 0.00 C ATOM 871 OG1 THR A 51 29.280 22.668 -18.144 1.00 0.00 O ATOM 872 CG2 THR A 51 27.688 24.447 -17.781 1.00 0.00 C ATOM 0 H THR A 51 26.009 23.450 -15.632 1.00 0.00 H new ATOM 0 HA THR A 51 27.667 21.221 -16.540 1.00 0.00 H new ATOM 0 HB THR A 51 27.265 22.513 -18.581 1.00 0.00 H new ATOM 0 HG1 THR A 51 29.862 23.028 -17.443 1.00 0.00 H new ATOM 0 HG21 THR A 51 27.947 24.878 -18.748 1.00 0.00 H new ATOM 0 HG22 THR A 51 26.640 24.653 -17.561 1.00 0.00 H new ATOM 0 HG23 THR A 51 28.315 24.890 -17.007 1.00 0.00 H new ATOM 880 N PHE A 52 28.224 22.502 -14.141 1.00 0.00 N ATOM 881 CA PHE A 52 29.054 22.945 -13.027 1.00 0.00 C ATOM 882 C PHE A 52 28.995 21.949 -11.874 1.00 0.00 C ATOM 883 O PHE A 52 28.014 21.227 -11.693 1.00 0.00 O ATOM 884 CB PHE A 52 28.604 24.327 -12.547 1.00 0.00 C ATOM 885 CG PHE A 52 27.147 24.390 -12.186 1.00 0.00 C ATOM 886 CD1 PHE A 52 26.714 23.998 -10.929 1.00 0.00 C ATOM 887 CD2 PHE A 52 26.212 24.843 -13.102 1.00 0.00 C ATOM 888 CE1 PHE A 52 25.374 24.055 -10.595 1.00 0.00 C ATOM 889 CE2 PHE A 52 24.871 24.902 -12.773 1.00 0.00 C ATOM 890 CZ PHE A 52 24.452 24.509 -11.518 1.00 0.00 C ATOM 0 H PHE A 52 27.426 21.927 -13.870 1.00 0.00 H new ATOM 0 HA PHE A 52 30.085 23.007 -13.376 1.00 0.00 H new ATOM 0 HB2 PHE A 52 29.198 24.613 -11.679 1.00 0.00 H new ATOM 0 HB3 PHE A 52 28.809 25.059 -13.328 1.00 0.00 H new ATOM 0 HD1 PHE A 52 27.431 23.644 -10.203 1.00 0.00 H new ATOM 0 HD2 PHE A 52 26.535 25.154 -14.085 1.00 0.00 H new ATOM 0 HE1 PHE A 52 25.048 23.745 -9.613 1.00 0.00 H new ATOM 0 HE2 PHE A 52 24.152 25.255 -13.497 1.00 0.00 H new ATOM 0 HZ PHE A 52 23.405 24.556 -11.258 1.00 0.00 H new ATOM 900 N PRO A 53 30.071 21.906 -11.073 1.00 0.00 N ATOM 901 CA PRO A 53 30.167 21.003 -9.923 1.00 0.00 C ATOM 902 C PRO A 53 29.221 21.398 -8.794 1.00 0.00 C ATOM 903 O PRO A 53 29.078 22.579 -8.478 1.00 0.00 O ATOM 904 CB PRO A 53 31.623 21.150 -9.476 1.00 0.00 C ATOM 905 CG PRO A 53 32.029 22.503 -9.949 1.00 0.00 C ATOM 906 CD PRO A 53 31.276 22.738 -11.229 1.00 0.00 C ATOM 0 HA PRO A 53 29.888 19.982 -10.183 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.715 21.065 -8.393 1.00 0.00 H new ATOM 0 HB3 PRO A 53 32.251 20.373 -9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.786 23.265 -9.208 1.00 0.00 H new ATOM 0 HG3 PRO A 53 33.105 22.552 -10.115 1.00 0.00 H new ATOM 0 HD2 PRO A 53 31.024 23.790 -11.359 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.860 22.440 -12.100 1.00 0.00 H new ATOM 914 N GLN A 54 28.577 20.404 -8.192 1.00 0.00 N ATOM 915 CA GLN A 54 27.645 20.650 -7.098 1.00 0.00 C ATOM 916 C GLN A 54 27.098 19.339 -6.543 1.00 0.00 C ATOM 917 O GLN A 54 27.421 18.260 -7.042 1.00 0.00 O ATOM 918 CB GLN A 54 26.492 21.536 -7.572 1.00 0.00 C ATOM 919 CG GLN A 54 25.294 20.754 -8.086 1.00 0.00 C ATOM 920 CD GLN A 54 25.673 19.730 -9.137 1.00 0.00 C ATOM 921 OE1 GLN A 54 26.548 19.972 -9.970 1.00 0.00 O ATOM 922 NE2 GLN A 54 25.016 18.576 -9.105 1.00 0.00 N ATOM 0 H GLN A 54 28.683 19.421 -8.443 1.00 0.00 H new ATOM 0 HA GLN A 54 28.186 21.163 -6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 54 26.172 22.174 -6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.852 22.194 -8.363 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.809 20.249 -7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 54 24.565 21.447 -8.506 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.298 18.417 -8.398 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.229 17.849 -9.788 1.00 0.00 H new ATOM 931 N ILE A 55 26.270 19.439 -5.509 1.00 0.00 N ATOM 932 CA ILE A 55 25.678 18.260 -4.888 1.00 0.00 C ATOM 933 C ILE A 55 24.288 17.982 -5.449 1.00 0.00 C ATOM 934 O ILE A 55 23.456 18.883 -5.551 1.00 0.00 O ATOM 935 CB ILE A 55 25.580 18.420 -3.359 1.00 0.00 C ATOM 936 CG1 ILE A 55 26.912 18.911 -2.789 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.174 17.103 -2.714 1.00 0.00 C ATOM 938 CD1 ILE A 55 26.964 20.408 -2.579 1.00 0.00 C ATOM 0 H ILE A 55 25.994 20.324 -5.083 1.00 0.00 H new ATOM 0 HA ILE A 55 26.333 17.420 -5.117 1.00 0.00 H new ATOM 0 HB ILE A 55 24.815 19.163 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.097 18.412 -1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 55 27.717 18.619 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.109 17.232 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.204 16.792 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.918 16.340 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 55 27.937 20.685 -2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 55 26.811 20.915 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.182 20.705 -1.881 1.00 0.00 H new ATOM 950 N PHE A 56 24.043 16.727 -5.812 1.00 0.00 N ATOM 951 CA PHE A 56 22.753 16.329 -6.363 1.00 0.00 C ATOM 952 C PHE A 56 22.039 15.356 -5.428 1.00 0.00 C ATOM 953 O PHE A 56 22.671 14.507 -4.799 1.00 0.00 O ATOM 954 CB PHE A 56 22.938 15.688 -7.740 1.00 0.00 C ATOM 955 CG PHE A 56 21.905 16.113 -8.743 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.572 15.776 -8.570 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.266 16.849 -9.860 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.618 16.166 -9.491 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.317 17.242 -10.784 1.00 0.00 C ATOM 960 CZ PHE A 56 19.992 16.899 -10.600 1.00 0.00 C ATOM 0 H PHE A 56 24.721 15.969 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 56 22.139 17.223 -6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.928 15.942 -8.120 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.906 14.604 -7.634 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.275 15.202 -7.705 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.301 17.119 -10.010 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.582 15.898 -9.344 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.611 17.817 -11.650 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.249 17.204 -11.322 1.00 0.00 H new ATOM 970 N ILE A 57 20.720 15.487 -5.343 1.00 0.00 N ATOM 971 CA ILE A 57 19.920 14.620 -4.486 1.00 0.00 C ATOM 972 C ILE A 57 18.624 14.211 -5.176 1.00 0.00 C ATOM 973 O ILE A 57 17.705 15.016 -5.323 1.00 0.00 O ATOM 974 CB ILE A 57 19.583 15.306 -3.149 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.178 16.762 -3.386 1.00 0.00 C ATOM 976 CG2 ILE A 57 20.770 15.228 -2.200 1.00 0.00 C ATOM 977 CD1 ILE A 57 20.346 17.723 -3.378 1.00 0.00 C ATOM 0 H ILE A 57 20.182 16.185 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 57 20.519 13.731 -4.288 1.00 0.00 H new ATOM 0 HB ILE A 57 18.742 14.785 -2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.663 16.836 -4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.466 17.062 -2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 57 20.517 15.717 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.017 14.183 -2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.628 15.728 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.985 18.736 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.848 17.678 -2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 57 21.049 17.448 -4.165 1.00 0.00 H new ATOM 989 N GLY A 58 18.555 12.951 -5.596 1.00 0.00 N ATOM 990 CA GLY A 58 17.366 12.455 -6.264 1.00 0.00 C ATOM 991 C GLY A 58 17.105 13.159 -7.581 1.00 0.00 C ATOM 992 O GLY A 58 17.604 12.742 -8.626 1.00 0.00 O ATOM 0 H GLY A 58 19.302 12.265 -5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.473 11.385 -6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.504 12.585 -5.609 1.00 0.00 H new ATOM 996 N ASP A 59 16.319 14.229 -7.532 1.00 0.00 N ATOM 997 CA ASP A 59 15.991 14.993 -8.730 1.00 0.00 C ATOM 998 C ASP A 59 16.162 16.489 -8.485 1.00 0.00 C ATOM 999 O ASP A 59 15.558 17.314 -9.171 1.00 0.00 O ATOM 1000 CB ASP A 59 14.557 14.697 -9.172 1.00 0.00 C ATOM 1001 CG ASP A 59 14.324 13.222 -9.434 1.00 0.00 C ATOM 1002 OD1 ASP A 59 15.005 12.663 -10.319 1.00 0.00 O ATOM 1003 OD2 ASP A 59 13.460 12.628 -8.756 1.00 0.00 O ATOM 0 H ASP A 59 15.897 14.587 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 59 16.677 14.692 -9.522 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.865 15.040 -8.403 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.335 15.263 -10.077 1.00 0.00 H new ATOM 1008 N TYR A 60 16.989 16.831 -7.503 1.00 0.00 N ATOM 1009 CA TYR A 60 17.238 18.227 -7.165 1.00 0.00 C ATOM 1010 C TYR A 60 18.732 18.493 -7.013 1.00 0.00 C ATOM 1011 O TYR A 60 19.463 17.687 -6.436 1.00 0.00 O ATOM 1012 CB TYR A 60 16.508 18.599 -5.874 1.00 0.00 C ATOM 1013 CG TYR A 60 16.908 19.948 -5.319 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.385 21.121 -5.847 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.808 20.048 -4.265 1.00 0.00 C ATOM 1016 CE1 TYR A 60 16.748 22.355 -5.344 1.00 0.00 C ATOM 1017 CE2 TYR A 60 18.176 21.278 -3.754 1.00 0.00 C ATOM 1018 CZ TYR A 60 17.643 22.428 -4.298 1.00 0.00 C ATOM 1019 OH TYR A 60 18.007 23.656 -3.792 1.00 0.00 O ATOM 0 H TYR A 60 17.498 16.160 -6.927 1.00 0.00 H new ATOM 0 HA TYR A 60 16.859 18.844 -7.979 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.434 18.596 -6.060 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.703 17.834 -5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.682 21.067 -6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.227 19.149 -3.838 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.333 23.258 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.876 21.338 -2.934 1.00 0.00 H new ATOM 0 HH TYR A 60 18.644 23.531 -3.058 1.00 0.00 H new ATOM 1029 N HIS A 61 19.181 19.631 -7.534 1.00 0.00 N ATOM 1030 CA HIS A 61 20.588 20.005 -7.456 1.00 0.00 C ATOM 1031 C HIS A 61 20.785 21.183 -6.506 1.00 0.00 C ATOM 1032 O HIS A 61 20.267 22.275 -6.739 1.00 0.00 O ATOM 1033 CB HIS A 61 21.121 20.360 -8.844 1.00 0.00 C ATOM 1034 CG HIS A 61 20.276 21.359 -9.573 1.00 0.00 C ATOM 1035 ND1 HIS A 61 20.434 22.692 -9.749 1.00 0.00 N flip ATOM 1036 CD2 HIS A 61 19.108 21.024 -10.225 1.00 0.00 C flip ATOM 1037 CE1 HIS A 61 19.370 23.133 -10.498 1.00 0.00 C flip ATOM 1038 NE2 HIS A 61 18.585 22.106 -10.772 1.00 0.00 N flip ATOM 0 H HIS A 61 18.590 20.310 -8.015 1.00 0.00 H new ATOM 0 HA HIS A 61 21.144 19.151 -7.069 1.00 0.00 H new ATOM 0 HB2 HIS A 61 22.132 20.755 -8.746 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.190 19.451 -9.441 1.00 0.00 H new ATOM 0 HD2 HIS A 61 18.687 20.031 -10.280 1.00 0.00 H new ATOM 0 HE1 HIS A 61 19.203 24.153 -10.812 1.00 0.00 H new ATOM 0 HE2 HIS A 61 17.722 22.143 -11.314 1.00 0.00 H new ATOM 1046 N VAL A 62 21.536 20.953 -5.433 1.00 0.00 N ATOM 1047 CA VAL A 62 21.801 21.994 -4.448 1.00 0.00 C ATOM 1048 C VAL A 62 22.532 23.174 -5.079 1.00 0.00 C ATOM 1049 O VAL A 62 21.941 24.225 -5.325 1.00 0.00 O ATOM 1050 CB VAL A 62 22.638 21.455 -3.273 1.00 0.00 C ATOM 1051 CG1 VAL A 62 23.037 22.587 -2.338 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.869 20.378 -2.522 1.00 0.00 C ATOM 0 H VAL A 62 21.971 20.055 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 62 20.834 22.328 -4.072 1.00 0.00 H new ATOM 0 HB VAL A 62 23.548 21.008 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.628 22.187 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.629 23.320 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.141 23.066 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.475 20.008 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.941 20.798 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.639 19.556 -3.200 1.00 0.00 H new ATOM 1062 N GLY A 63 23.823 22.993 -5.340 1.00 0.00 N ATOM 1063 CA GLY A 63 24.614 24.051 -5.940 1.00 0.00 C ATOM 1064 C GLY A 63 25.915 24.293 -5.201 1.00 0.00 C ATOM 1065 O GLY A 63 26.977 24.392 -5.814 1.00 0.00 O ATOM 0 H GLY A 63 24.335 22.132 -5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.831 23.795 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.031 24.972 -5.955 1.00 0.00 H new ATOM 1069 N GLY A 64 25.832 24.391 -3.877 1.00 0.00 N ATOM 1070 CA GLY A 64 27.019 24.625 -3.075 1.00 0.00 C ATOM 1071 C GLY A 64 27.093 23.709 -1.869 1.00 0.00 C ATOM 1072 O GLY A 64 26.081 23.154 -1.440 1.00 0.00 O ATOM 0 H GLY A 64 24.965 24.313 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 64 27.905 24.480 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.029 25.662 -2.741 1.00 0.00 H new ATOM 1076 N CYS A 65 28.293 23.550 -1.323 1.00 0.00 N ATOM 1077 CA CYS A 65 28.496 22.693 -0.160 1.00 0.00 C ATOM 1078 C CYS A 65 27.887 23.319 1.090 1.00 0.00 C ATOM 1079 O CYS A 65 27.085 22.693 1.783 1.00 0.00 O ATOM 1080 CB CYS A 65 29.988 22.437 0.058 1.00 0.00 C ATOM 1081 SG CYS A 65 30.887 21.988 -1.445 1.00 0.00 S ATOM 0 H CYS A 65 29.140 24.003 -1.666 1.00 0.00 H new ATOM 0 HA CYS A 65 27.996 21.743 -0.349 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.441 23.332 0.486 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.105 21.639 0.791 1.00 0.00 H new ATOM 0 HG CYS A 65 32.140 21.794 -1.159 1.00 0.00 H new ATOM 1087 N ASP A 66 28.274 24.558 1.373 1.00 0.00 N ATOM 1088 CA ASP A 66 27.767 25.270 2.541 1.00 0.00 C ATOM 1089 C ASP A 66 26.243 25.321 2.526 1.00 0.00 C ATOM 1090 O ASP A 66 25.606 25.444 3.572 1.00 0.00 O ATOM 1091 CB ASP A 66 28.338 26.688 2.587 1.00 0.00 C ATOM 1092 CG ASP A 66 29.831 26.704 2.844 1.00 0.00 C ATOM 1093 OD1 ASP A 66 30.273 26.053 3.814 1.00 0.00 O ATOM 1094 OD2 ASP A 66 30.560 27.368 2.077 1.00 0.00 O ATOM 0 H ASP A 66 28.937 25.090 0.810 1.00 0.00 H new ATOM 0 HA ASP A 66 28.085 24.730 3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.130 27.191 1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 66 27.832 27.255 3.368 1.00 0.00 H new ATOM 1099 N ASP A 67 25.664 25.228 1.334 1.00 0.00 N ATOM 1100 CA ASP A 67 24.214 25.264 1.182 1.00 0.00 C ATOM 1101 C ASP A 67 23.570 24.042 1.831 1.00 0.00 C ATOM 1102 O ASP A 67 22.589 24.161 2.565 1.00 0.00 O ATOM 1103 CB ASP A 67 23.836 25.330 -0.298 1.00 0.00 C ATOM 1104 CG ASP A 67 23.587 26.750 -0.769 1.00 0.00 C ATOM 1105 OD1 ASP A 67 24.572 27.491 -0.969 1.00 0.00 O ATOM 1106 OD2 ASP A 67 22.406 27.119 -0.939 1.00 0.00 O ATOM 0 H ASP A 67 26.177 25.127 0.458 1.00 0.00 H new ATOM 0 HA ASP A 67 23.843 26.158 1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 67 24.634 24.887 -0.894 1.00 0.00 H new ATOM 0 HB3 ASP A 67 22.941 24.731 -0.469 1.00 0.00 H new ATOM 1111 N LEU A 68 24.127 22.869 1.553 1.00 0.00 N ATOM 1112 CA LEU A 68 23.606 21.624 2.108 1.00 0.00 C ATOM 1113 C LEU A 68 23.868 21.546 3.609 1.00 0.00 C ATOM 1114 O LEU A 68 23.042 21.037 4.367 1.00 0.00 O ATOM 1115 CB LEU A 68 24.242 20.424 1.405 1.00 0.00 C ATOM 1116 CG LEU A 68 25.532 19.888 2.026 1.00 0.00 C ATOM 1117 CD1 LEU A 68 25.218 18.900 3.140 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.406 19.236 0.964 1.00 0.00 C ATOM 0 H LEU A 68 24.939 22.753 0.947 1.00 0.00 H new ATOM 0 HA LEU A 68 22.529 21.604 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.512 19.615 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.448 20.701 0.371 1.00 0.00 H new ATOM 0 HG LEU A 68 26.081 20.726 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 68 26.148 18.529 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.633 19.398 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.647 18.064 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.320 18.861 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.865 18.409 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.660 19.971 0.201 1.00 0.00 H new ATOM 1130 N TYR A 69 25.020 22.056 4.031 1.00 0.00 N ATOM 1131 CA TYR A 69 25.390 22.043 5.441 1.00 0.00 C ATOM 1132 C TYR A 69 24.530 23.019 6.238 1.00 0.00 C ATOM 1133 O TYR A 69 23.913 22.648 7.236 1.00 0.00 O ATOM 1134 CB TYR A 69 26.869 22.398 5.605 1.00 0.00 C ATOM 1135 CG TYR A 69 27.794 21.532 4.779 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.629 20.153 4.733 1.00 0.00 C ATOM 1137 CD2 TYR A 69 28.833 22.093 4.047 1.00 0.00 C ATOM 1138 CE1 TYR A 69 28.473 19.358 3.981 1.00 0.00 C ATOM 1139 CE2 TYR A 69 29.680 21.306 3.291 1.00 0.00 C ATOM 1140 CZ TYR A 69 29.496 19.939 3.262 1.00 0.00 C ATOM 1141 OH TYR A 69 30.338 19.151 2.511 1.00 0.00 O ATOM 0 H TYR A 69 25.713 22.483 3.417 1.00 0.00 H new ATOM 0 HA TYR A 69 25.220 21.038 5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.017 23.441 5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.142 22.307 6.656 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.828 19.695 5.294 1.00 0.00 H new ATOM 0 HD2 TYR A 69 28.981 23.163 4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 69 28.332 18.288 3.957 1.00 0.00 H new ATOM 0 HE2 TYR A 69 30.482 21.758 2.726 1.00 0.00 H new ATOM 0 HH TYR A 69 31.235 19.545 2.504 1.00 0.00 H new ATOM 1151 N ALA A 70 24.495 24.270 5.790 1.00 0.00 N ATOM 1152 CA ALA A 70 23.709 25.299 6.458 1.00 0.00 C ATOM 1153 C ALA A 70 22.230 24.930 6.486 1.00 0.00 C ATOM 1154 O ALA A 70 21.598 24.937 7.543 1.00 0.00 O ATOM 1155 CB ALA A 70 23.908 26.643 5.773 1.00 0.00 C ATOM 0 H ALA A 70 25.002 24.595 4.967 1.00 0.00 H new ATOM 0 HA ALA A 70 24.056 25.374 7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 70 23.315 27.402 6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.962 26.919 5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.590 26.572 4.733 1.00 0.00 H new ATOM 1161 N LEU A 71 21.683 24.610 5.318 1.00 0.00 N ATOM 1162 CA LEU A 71 20.277 24.239 5.208 1.00 0.00 C ATOM 1163 C LEU A 71 19.952 23.059 6.119 1.00 0.00 C ATOM 1164 O LEU A 71 18.973 23.088 6.863 1.00 0.00 O ATOM 1165 CB LEU A 71 19.933 23.889 3.759 1.00 0.00 C ATOM 1166 CG LEU A 71 19.860 25.065 2.784 1.00 0.00 C ATOM 1167 CD1 LEU A 71 19.776 24.565 1.351 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.670 25.955 3.111 1.00 0.00 C ATOM 0 H LEU A 71 22.192 24.600 4.434 1.00 0.00 H new ATOM 0 HA LEU A 71 19.676 25.093 5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.677 23.183 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.972 23.374 3.749 1.00 0.00 H new ATOM 0 HG LEU A 71 20.770 25.656 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 71 19.725 25.416 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.659 23.969 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.883 23.951 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.633 26.787 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.750 25.375 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.773 26.342 4.125 1.00 0.00 H new ATOM 1180 N GLU A 72 20.783 22.023 6.055 1.00 0.00 N ATOM 1181 CA GLU A 72 20.584 20.834 6.875 1.00 0.00 C ATOM 1182 C GLU A 72 20.527 21.198 8.356 1.00 0.00 C ATOM 1183 O GLU A 72 19.721 20.652 9.109 1.00 0.00 O ATOM 1184 CB GLU A 72 21.708 19.824 6.631 1.00 0.00 C ATOM 1185 CG GLU A 72 21.743 18.694 7.646 1.00 0.00 C ATOM 1186 CD GLU A 72 22.547 19.045 8.882 1.00 0.00 C ATOM 1187 OE1 GLU A 72 23.530 19.805 8.755 1.00 0.00 O ATOM 1188 OE2 GLU A 72 22.193 18.559 9.977 1.00 0.00 O ATOM 0 H GLU A 72 21.599 21.983 5.445 1.00 0.00 H new ATOM 0 HA GLU A 72 19.633 20.384 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.594 19.401 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.664 20.346 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.724 18.443 7.939 1.00 0.00 H new ATOM 0 HG3 GLU A 72 22.169 17.805 7.180 1.00 0.00 H new ATOM 1195 N ASN A 73 21.388 22.124 8.766 1.00 0.00 N ATOM 1196 CA ASN A 73 21.436 22.561 10.156 1.00 0.00 C ATOM 1197 C ASN A 73 20.320 23.558 10.452 1.00 0.00 C ATOM 1198 O ASN A 73 19.957 23.775 11.609 1.00 0.00 O ATOM 1199 CB ASN A 73 22.795 23.192 10.467 1.00 0.00 C ATOM 1200 CG ASN A 73 23.048 23.315 11.957 1.00 0.00 C ATOM 1201 OD1 ASN A 73 23.507 22.371 12.600 1.00 0.00 O ATOM 1202 ND2 ASN A 73 22.749 24.483 12.514 1.00 0.00 N ATOM 0 H ASN A 73 22.062 22.586 8.155 1.00 0.00 H new ATOM 0 HA ASN A 73 21.295 21.686 10.791 1.00 0.00 H new ATOM 0 HB2 ASN A 73 23.584 22.590 10.016 1.00 0.00 H new ATOM 0 HB3 ASN A 73 22.847 24.180 10.010 1.00 0.00 H new ATOM 0 HD21 ASN A 73 22.898 24.625 13.513 1.00 0.00 H new ATOM 0 HD22 ASN A 73 22.370 25.238 11.943 1.00 0.00 H new ATOM 1209 N LYS A 74 19.778 24.161 9.400 1.00 0.00 N ATOM 1210 CA LYS A 74 18.702 25.133 9.545 1.00 0.00 C ATOM 1211 C LYS A 74 17.355 24.435 9.701 1.00 0.00 C ATOM 1212 O LYS A 74 16.406 25.008 10.235 1.00 0.00 O ATOM 1213 CB LYS A 74 18.665 26.069 8.334 1.00 0.00 C ATOM 1214 CG LYS A 74 19.669 27.206 8.414 1.00 0.00 C ATOM 1215 CD LYS A 74 19.429 28.077 9.636 1.00 0.00 C ATOM 1216 CE LYS A 74 20.197 29.387 9.546 1.00 0.00 C ATOM 1217 NZ LYS A 74 19.466 30.404 8.742 1.00 0.00 N ATOM 0 H LYS A 74 20.067 23.993 8.436 1.00 0.00 H new ATOM 0 HA LYS A 74 18.895 25.718 10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.856 25.489 7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.663 26.486 8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.679 26.799 8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.602 27.816 7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.363 28.285 9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.731 27.538 10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.372 29.775 10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.174 29.205 9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.022 31.282 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.321 30.045 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.544 30.597 9.182 1.00 0.00 H new ATOM 1231 N GLY A 75 17.280 23.192 9.234 1.00 0.00 N ATOM 1232 CA GLY A 75 16.045 22.436 9.333 1.00 0.00 C ATOM 1233 C GLY A 75 15.768 21.612 8.091 1.00 0.00 C ATOM 1234 O GLY A 75 14.834 20.811 8.063 1.00 0.00 O ATOM 0 H GLY A 75 18.052 22.696 8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.095 21.776 10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.215 23.122 9.502 1.00 0.00 H new ATOM 1238 N LYS A 76 16.581 21.810 7.058 1.00 0.00 N ATOM 1239 CA LYS A 76 16.419 21.081 5.806 1.00 0.00 C ATOM 1240 C LYS A 76 16.859 19.629 5.962 1.00 0.00 C ATOM 1241 O LYS A 76 16.697 18.819 5.048 1.00 0.00 O ATOM 1242 CB LYS A 76 17.227 21.753 4.693 1.00 0.00 C ATOM 1243 CG LYS A 76 16.414 22.046 3.444 1.00 0.00 C ATOM 1244 CD LYS A 76 15.363 23.113 3.700 1.00 0.00 C ATOM 1245 CE LYS A 76 14.809 23.674 2.400 1.00 0.00 C ATOM 1246 NZ LYS A 76 15.756 24.628 1.759 1.00 0.00 N ATOM 0 H LYS A 76 17.359 22.470 7.064 1.00 0.00 H new ATOM 0 HA LYS A 76 15.362 21.096 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.645 22.686 5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.067 21.112 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.079 22.373 2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.930 21.132 3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.550 22.690 4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.799 23.920 4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.597 22.855 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.863 24.178 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.460 24.805 0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.757 25.524 2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.714 24.222 1.764 1.00 0.00 H new ATOM 1260 N LEU A 77 17.414 19.305 7.124 1.00 0.00 N ATOM 1261 CA LEU A 77 17.876 17.949 7.401 1.00 0.00 C ATOM 1262 C LEU A 77 16.810 16.924 7.025 1.00 0.00 C ATOM 1263 O LEU A 77 17.114 15.886 6.438 1.00 0.00 O ATOM 1264 CB LEU A 77 18.240 17.804 8.879 1.00 0.00 C ATOM 1265 CG LEU A 77 18.622 16.398 9.342 1.00 0.00 C ATOM 1266 CD1 LEU A 77 19.989 16.407 10.007 1.00 0.00 C ATOM 1267 CD2 LEU A 77 17.569 15.845 10.292 1.00 0.00 C ATOM 0 H LEU A 77 17.555 19.963 7.890 1.00 0.00 H new ATOM 0 HA LEU A 77 18.763 17.763 6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 77 19.072 18.474 9.095 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.394 18.144 9.476 1.00 0.00 H new ATOM 0 HG LEU A 77 18.671 15.750 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 77 20.243 15.397 10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 77 20.737 16.760 9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 77 19.968 17.070 10.872 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.857 14.844 10.611 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.488 16.495 11.163 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.607 15.800 9.782 1.00 0.00 H new ATOM 1279 N ASP A 78 15.562 17.224 7.367 1.00 0.00 N ATOM 1280 CA ASP A 78 14.451 16.330 7.062 1.00 0.00 C ATOM 1281 C ASP A 78 14.399 16.015 5.571 1.00 0.00 C ATOM 1282 O ASP A 78 14.323 14.853 5.174 1.00 0.00 O ATOM 1283 CB ASP A 78 13.128 16.956 7.510 1.00 0.00 C ATOM 1284 CG ASP A 78 12.053 15.917 7.764 1.00 0.00 C ATOM 1285 OD1 ASP A 78 12.335 14.936 8.482 1.00 0.00 O ATOM 1286 OD2 ASP A 78 10.931 16.085 7.243 1.00 0.00 O ATOM 0 H ASP A 78 15.294 18.079 7.855 1.00 0.00 H new ATOM 0 HA ASP A 78 14.607 15.398 7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.292 17.534 8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.782 17.653 6.747 1.00 0.00 H new ATOM 1291 N SER A 79 14.440 17.059 4.749 1.00 0.00 N ATOM 1292 CA SER A 79 14.393 16.894 3.301 1.00 0.00 C ATOM 1293 C SER A 79 15.612 16.124 2.802 1.00 0.00 C ATOM 1294 O SER A 79 15.484 15.148 2.062 1.00 0.00 O ATOM 1295 CB SER A 79 14.321 18.259 2.613 1.00 0.00 C ATOM 1296 OG SER A 79 14.517 18.136 1.215 1.00 0.00 O ATOM 0 H SER A 79 14.506 18.028 5.061 1.00 0.00 H new ATOM 0 HA SER A 79 13.498 16.323 3.054 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.352 18.718 2.809 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.078 18.922 3.033 1.00 0.00 H new ATOM 0 HG SER A 79 14.465 19.021 0.798 1.00 0.00 H new ATOM 1302 N LEU A 80 16.794 16.570 3.212 1.00 0.00 N ATOM 1303 CA LEU A 80 18.038 15.924 2.808 1.00 0.00 C ATOM 1304 C LEU A 80 18.015 14.438 3.150 1.00 0.00 C ATOM 1305 O LEU A 80 18.572 13.614 2.423 1.00 0.00 O ATOM 1306 CB LEU A 80 19.230 16.598 3.489 1.00 0.00 C ATOM 1307 CG LEU A 80 19.901 17.726 2.705 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.730 17.161 1.561 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.860 18.703 2.179 1.00 0.00 C ATOM 0 H LEU A 80 16.917 17.377 3.824 1.00 0.00 H new ATOM 0 HA LEU A 80 18.139 16.028 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.898 16.997 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.979 15.836 3.703 1.00 0.00 H new ATOM 0 HG LEU A 80 20.567 18.264 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.200 17.978 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.500 16.502 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.084 16.598 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.356 19.499 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.168 18.178 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.309 19.133 3.016 1.00 0.00 H new ATOM 1321 N LEU A 81 17.367 14.101 4.260 1.00 0.00 N ATOM 1322 CA LEU A 81 17.270 12.713 4.697 1.00 0.00 C ATOM 1323 C LEU A 81 16.347 11.916 3.781 1.00 0.00 C ATOM 1324 O LEU A 81 16.729 10.868 3.260 1.00 0.00 O ATOM 1325 CB LEU A 81 16.758 12.646 6.137 1.00 0.00 C ATOM 1326 CG LEU A 81 17.737 12.092 7.173 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.444 13.225 7.900 1.00 0.00 C ATOM 1328 CD2 LEU A 81 17.014 11.190 8.162 1.00 0.00 C ATOM 0 H LEU A 81 16.901 14.770 4.873 1.00 0.00 H new ATOM 0 HA LEU A 81 18.266 12.273 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.465 13.650 6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.857 12.032 6.153 1.00 0.00 H new ATOM 0 HG LEU A 81 18.488 11.498 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.136 12.811 8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 81 18.996 13.830 7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.707 13.847 8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 81 17.727 10.805 8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.240 11.760 8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.556 10.357 7.628 1.00 0.00 H new ATOM 1340 N GLN A 82 15.133 12.422 3.587 1.00 0.00 N ATOM 1341 CA GLN A 82 14.157 11.757 2.732 1.00 0.00 C ATOM 1342 C GLN A 82 14.677 11.638 1.303 1.00 0.00 C ATOM 1343 O GLN A 82 14.263 10.754 0.553 1.00 0.00 O ATOM 1344 CB GLN A 82 12.833 12.523 2.743 1.00 0.00 C ATOM 1345 CG GLN A 82 11.837 12.032 1.704 1.00 0.00 C ATOM 1346 CD GLN A 82 10.433 12.547 1.952 1.00 0.00 C ATOM 1347 OE1 GLN A 82 9.675 11.966 2.729 1.00 0.00 O ATOM 1348 NE2 GLN A 82 10.080 13.644 1.292 1.00 0.00 N ATOM 0 H GLN A 82 14.802 13.289 4.010 1.00 0.00 H new ATOM 0 HA GLN A 82 13.992 10.753 3.124 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.383 12.441 3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.033 13.581 2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.166 12.347 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.825 10.942 1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.741 14.093 0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.148 14.038 1.419 1.00 0.00 H new ATOM 1357 N ASP A 83 15.586 12.533 0.933 1.00 0.00 N ATOM 1358 CA ASP A 83 16.164 12.528 -0.406 1.00 0.00 C ATOM 1359 C ASP A 83 17.282 11.496 -0.511 1.00 0.00 C ATOM 1360 O ASP A 83 17.220 10.578 -1.329 1.00 0.00 O ATOM 1361 CB ASP A 83 16.699 13.916 -0.759 1.00 0.00 C ATOM 1362 CG ASP A 83 15.591 14.934 -0.943 1.00 0.00 C ATOM 1363 OD1 ASP A 83 14.408 14.557 -0.803 1.00 0.00 O ATOM 1364 OD2 ASP A 83 15.906 16.109 -1.227 1.00 0.00 O ATOM 0 H ASP A 83 15.939 13.272 1.542 1.00 0.00 H new ATOM 0 HA ASP A 83 15.379 12.260 -1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.372 14.254 0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.287 13.854 -1.675 1.00 0.00 H new ATOM 1369 N VAL A 84 18.306 11.653 0.322 1.00 0.00 N ATOM 1370 CA VAL A 84 19.439 10.735 0.323 1.00 0.00 C ATOM 1371 C VAL A 84 19.000 9.321 0.686 1.00 0.00 C ATOM 1372 O VAL A 84 19.667 8.345 0.341 1.00 0.00 O ATOM 1373 CB VAL A 84 20.530 11.192 1.309 1.00 0.00 C ATOM 1374 CG1 VAL A 84 20.999 12.599 0.973 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.019 11.119 2.740 1.00 0.00 C ATOM 0 H VAL A 84 18.374 12.408 1.005 1.00 0.00 H new ATOM 0 HA VAL A 84 19.849 10.736 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 84 21.383 10.519 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.770 12.904 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.407 12.615 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.156 13.288 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.803 11.445 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.149 11.767 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.738 10.092 2.974 1.00 0.00 H new ATOM 1385 N HIS A 85 17.874 9.218 1.385 1.00 0.00 N ATOM 1386 CA HIS A 85 17.345 7.922 1.794 1.00 0.00 C ATOM 1387 C HIS A 85 16.205 7.486 0.879 1.00 0.00 C ATOM 1388 O HIS A 85 15.487 8.321 0.326 1.00 0.00 O ATOM 1389 CB HIS A 85 16.857 7.981 3.242 1.00 0.00 C ATOM 1390 CG HIS A 85 16.413 6.655 3.779 1.00 0.00 C ATOM 1391 ND1 HIS A 85 16.936 5.455 3.347 1.00 0.00 N ATOM 1392 CD2 HIS A 85 15.492 6.345 4.721 1.00 0.00 C ATOM 1393 CE1 HIS A 85 16.354 4.463 3.997 1.00 0.00 C ATOM 1394 NE2 HIS A 85 15.473 4.977 4.838 1.00 0.00 N ATOM 0 H HIS A 85 17.311 10.016 1.680 1.00 0.00 H new ATOM 0 HA HIS A 85 18.149 7.190 1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.658 8.369 3.871 1.00 0.00 H new ATOM 0 HB3 HIS A 85 16.029 8.687 3.309 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.885 7.044 5.277 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.562 3.412 3.864 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.876 4.444 5.471 1.00 0.00 H new TER 1402 HIS A 85