USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 379 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 12 SER OG : rot -43:sc= 1.64 USER MOD Set 1.2: A 15 GLN : amide:sc= -1.13! K(o=0.42!,f=-0.095) USER MOD Set 1.3: B 3 ASN : amide:sc= -0.0893 K(o=0.42,f=-0.12) USER MOD Set 2.1: A 1 GLY N :NH3+ 151:sc= 0.0608 (180deg=0) USER MOD Set 2.2: A 18 ASN : amide:sc= 0.45 K(o=1.4,f=-0.91) USER MOD Set 2.3: A 19 TYR OH : rot 112:sc= 0.922 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : B 1 PHE N :NH3+ 141:sc= 0.532 (180deg=0.101) USER MOD Single : B 4 GLN : amide:sc= 0.37 X(o=0.37,f=-0.054) USER MOD Single : B 5 HIS : no HD1:sc= 0.861 K(o=0.86,f=-2.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -145:sc= -0.0638 USER MOD Single : B 29 LYS NZ :NH3+ -156:sc= 0.874 (180deg=-1.41!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.803 25.140 -10.546 1.00 0.00 N ATOM 2 CA GLY A 1 -20.166 25.280 -10.024 1.00 0.00 C ATOM 3 C GLY A 1 -21.118 24.508 -10.895 1.00 0.00 C ATOM 4 O GLY A 1 -21.080 24.698 -12.101 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.251 25.988 -10.306 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.354 24.303 -10.123 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.837 25.030 -11.580 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.214 24.912 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.451 26.332 -9.999 1.00 0.00 H new ATOM 10 N ILE A 2 -21.925 23.625 -10.304 1.00 0.00 N ATOM 11 CA ILE A 2 -22.803 22.662 -11.006 1.00 0.00 C ATOM 12 C ILE A 2 -24.038 23.294 -11.693 1.00 0.00 C ATOM 13 O ILE A 2 -24.711 22.631 -12.478 1.00 0.00 O ATOM 14 CB ILE A 2 -23.177 21.545 -9.991 1.00 0.00 C ATOM 15 CG1 ILE A 2 -23.866 20.295 -10.577 1.00 0.00 C ATOM 16 CG2 ILE A 2 -24.048 22.081 -8.836 1.00 0.00 C ATOM 17 CD1 ILE A 2 -22.990 19.554 -11.591 1.00 0.00 C ATOM 0 H ILE A 2 -21.994 23.551 -9.289 1.00 0.00 H new ATOM 0 HA ILE A 2 -22.254 22.242 -11.849 1.00 0.00 H new ATOM 0 HB ILE A 2 -22.200 21.221 -9.631 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -24.128 19.616 -9.765 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -24.798 20.592 -11.058 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -24.285 21.267 -8.151 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -23.504 22.859 -8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -24.971 22.497 -9.239 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -23.527 18.684 -11.969 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -22.750 20.220 -12.420 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -22.069 19.230 -11.107 1.00 0.00 H new ATOM 29 N VAL A 3 -24.315 24.575 -11.395 1.00 0.00 N ATOM 30 CA VAL A 3 -25.505 25.396 -11.720 1.00 0.00 C ATOM 31 C VAL A 3 -26.623 24.687 -12.501 1.00 0.00 C ATOM 32 O VAL A 3 -27.645 24.344 -11.915 1.00 0.00 O ATOM 33 CB VAL A 3 -25.122 26.745 -12.377 1.00 0.00 C ATOM 34 CG1 VAL A 3 -26.339 27.669 -12.540 1.00 0.00 C ATOM 35 CG2 VAL A 3 -24.082 27.515 -11.552 1.00 0.00 C ATOM 0 H VAL A 3 -23.640 25.124 -10.863 1.00 0.00 H new ATOM 0 HA VAL A 3 -25.947 25.593 -10.744 1.00 0.00 H new ATOM 0 HB VAL A 3 -24.710 26.481 -13.351 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -26.026 28.604 -13.005 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -27.084 27.182 -13.170 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -26.772 27.877 -11.561 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -23.844 28.454 -12.052 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -24.485 27.723 -10.561 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -23.177 26.915 -11.457 1.00 0.00 H new ATOM 45 N GLU A 4 -26.449 24.499 -13.814 1.00 0.00 N ATOM 46 CA GLU A 4 -27.511 24.041 -14.713 1.00 0.00 C ATOM 47 C GLU A 4 -27.624 22.513 -14.846 1.00 0.00 C ATOM 48 O GLU A 4 -28.684 22.035 -15.238 1.00 0.00 O ATOM 49 CB GLU A 4 -27.314 24.736 -16.080 1.00 0.00 C ATOM 50 CG GLU A 4 -28.282 24.329 -17.213 1.00 0.00 C ATOM 51 CD GLU A 4 -29.767 24.477 -16.874 1.00 0.00 C ATOM 52 OE1 GLU A 4 -30.218 25.076 -15.908 1.00 0.00 O ATOM 53 OE2 GLU A 4 -30.605 23.895 -17.753 1.00 0.00 O ATOM 0 H GLU A 4 -25.559 24.662 -14.285 1.00 0.00 H new ATOM 0 HA GLU A 4 -28.468 24.325 -14.275 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -27.400 25.812 -15.930 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -26.296 24.541 -16.417 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -28.063 24.933 -18.093 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -28.087 23.291 -17.483 1.00 0.00 H new ATOM 61 N GLN A 5 -26.585 21.717 -14.564 1.00 0.00 N ATOM 62 CA GLN A 5 -26.576 20.297 -14.968 1.00 0.00 C ATOM 63 C GLN A 5 -27.667 19.465 -14.273 1.00 0.00 C ATOM 64 O GLN A 5 -28.317 18.663 -14.937 1.00 0.00 O ATOM 65 CB GLN A 5 -25.171 19.699 -14.792 1.00 0.00 C ATOM 66 CG GLN A 5 -24.273 20.117 -15.971 1.00 0.00 C ATOM 67 CD GLN A 5 -22.795 19.840 -15.723 1.00 0.00 C ATOM 68 OE1 GLN A 5 -22.140 20.500 -14.938 1.00 0.00 O ATOM 69 NE2 GLN A 5 -22.196 18.896 -16.415 1.00 0.00 N ATOM 0 H GLN A 5 -25.749 22.022 -14.065 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.827 20.257 -16.028 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -24.736 20.041 -13.853 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -25.233 18.612 -14.738 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -24.591 19.586 -16.868 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -24.410 21.181 -16.165 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -22.729 18.333 -17.078 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.198 18.727 -16.289 1.00 0.00 H new ATOM 78 N CYS A 6 -27.958 19.747 -12.999 1.00 0.00 N ATOM 79 CA CYS A 6 -29.089 19.159 -12.268 1.00 0.00 C ATOM 80 C CYS A 6 -30.482 19.599 -12.770 1.00 0.00 C ATOM 81 O CYS A 6 -31.483 19.006 -12.381 1.00 0.00 O ATOM 82 CB CYS A 6 -28.962 19.529 -10.787 1.00 0.00 C ATOM 83 SG CYS A 6 -27.471 18.971 -9.923 1.00 0.00 S ATOM 0 H CYS A 6 -27.409 20.398 -12.438 1.00 0.00 H new ATOM 0 HA CYS A 6 -29.032 18.083 -12.436 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -29.015 20.615 -10.704 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -29.828 19.126 -10.262 1.00 0.00 H new ATOM 88 N CYS A 7 -30.569 20.652 -13.587 1.00 0.00 N ATOM 89 CA CYS A 7 -31.817 21.159 -14.162 1.00 0.00 C ATOM 90 C CYS A 7 -31.951 20.824 -15.666 1.00 0.00 C ATOM 91 O CYS A 7 -33.061 20.770 -16.193 1.00 0.00 O ATOM 92 CB CYS A 7 -31.904 22.657 -13.838 1.00 0.00 C ATOM 93 SG CYS A 7 -33.428 23.487 -14.361 1.00 0.00 S ATOM 0 H CYS A 7 -29.751 21.190 -13.874 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.676 20.658 -13.715 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -31.794 22.784 -12.761 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -31.059 23.161 -14.306 1.00 0.00 H new ATOM 98 N ALA A 8 -30.842 20.522 -16.349 1.00 0.00 N ATOM 99 CA ALA A 8 -30.836 19.923 -17.684 1.00 0.00 C ATOM 100 C ALA A 8 -31.090 18.399 -17.669 1.00 0.00 C ATOM 101 O ALA A 8 -31.639 17.867 -18.630 1.00 0.00 O ATOM 102 CB ALA A 8 -29.490 20.249 -18.340 1.00 0.00 C ATOM 0 H ALA A 8 -29.906 20.691 -15.980 1.00 0.00 H new ATOM 0 HA ALA A 8 -31.661 20.346 -18.258 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -29.457 19.814 -19.339 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -29.372 21.330 -18.411 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.682 19.835 -17.737 1.00 0.00 H new ATOM 108 N SER A 9 -30.693 17.688 -16.607 1.00 0.00 N ATOM 109 CA SER A 9 -30.932 16.246 -16.428 1.00 0.00 C ATOM 110 C SER A 9 -30.818 15.855 -14.945 1.00 0.00 C ATOM 111 O SER A 9 -30.580 16.708 -14.091 1.00 0.00 O ATOM 112 CB SER A 9 -29.952 15.450 -17.304 1.00 0.00 C ATOM 113 OG SER A 9 -30.286 14.071 -17.330 1.00 0.00 O ATOM 0 H SER A 9 -30.184 18.107 -15.828 1.00 0.00 H new ATOM 0 HA SER A 9 -31.947 16.006 -16.745 1.00 0.00 H new ATOM 0 HB2 SER A 9 -29.962 15.848 -18.319 1.00 0.00 H new ATOM 0 HB3 SER A 9 -28.938 15.574 -16.924 1.00 0.00 H new ATOM 0 HG SER A 9 -29.647 13.590 -17.896 1.00 0.00 H new ATOM 119 N VAL A 10 -31.003 14.577 -14.611 1.00 0.00 N ATOM 120 CA VAL A 10 -30.801 14.074 -13.244 1.00 0.00 C ATOM 121 C VAL A 10 -29.313 14.075 -12.863 1.00 0.00 C ATOM 122 O VAL A 10 -28.477 13.507 -13.564 1.00 0.00 O ATOM 123 CB VAL A 10 -31.435 12.686 -13.021 1.00 0.00 C ATOM 124 CG1 VAL A 10 -32.961 12.761 -13.117 1.00 0.00 C ATOM 125 CG2 VAL A 10 -30.946 11.589 -13.978 1.00 0.00 C ATOM 0 H VAL A 10 -31.296 13.861 -15.275 1.00 0.00 H new ATOM 0 HA VAL A 10 -31.321 14.764 -12.579 1.00 0.00 H new ATOM 0 HB VAL A 10 -31.113 12.403 -12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -33.385 11.770 -12.956 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -33.340 13.445 -12.358 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -33.246 13.122 -14.105 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -31.448 10.651 -13.743 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -31.173 11.875 -15.005 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -29.869 11.462 -13.866 1.00 0.00 H new ATOM 135 N CYS A 11 -28.977 14.675 -11.720 1.00 0.00 N ATOM 136 CA CYS A 11 -27.619 14.708 -11.179 1.00 0.00 C ATOM 137 C CYS A 11 -27.482 13.851 -9.911 1.00 0.00 C ATOM 138 O CYS A 11 -28.445 13.569 -9.191 1.00 0.00 O ATOM 139 CB CYS A 11 -27.175 16.160 -10.972 1.00 0.00 C ATOM 140 SG CYS A 11 -27.883 17.015 -9.543 1.00 0.00 S ATOM 0 H CYS A 11 -29.655 15.161 -11.133 1.00 0.00 H new ATOM 0 HA CYS A 11 -26.943 14.256 -11.905 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.089 16.176 -10.878 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -27.426 16.726 -11.869 1.00 0.00 H new ATOM 145 N SER A 12 -26.266 13.382 -9.644 1.00 0.00 N ATOM 146 CA SER A 12 -25.970 12.525 -8.490 1.00 0.00 C ATOM 147 C SER A 12 -25.827 13.353 -7.217 1.00 0.00 C ATOM 148 O SER A 12 -25.291 14.457 -7.266 1.00 0.00 O ATOM 149 CB SER A 12 -24.682 11.720 -8.697 1.00 0.00 C ATOM 150 OG SER A 12 -24.465 11.404 -10.058 1.00 0.00 O ATOM 0 H SER A 12 -25.451 13.585 -10.223 1.00 0.00 H new ATOM 0 HA SER A 12 -26.809 11.836 -8.391 1.00 0.00 H new ATOM 0 HB2 SER A 12 -23.834 12.290 -8.318 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.733 10.800 -8.115 1.00 0.00 H new ATOM 0 HG SER A 12 -25.309 11.119 -10.466 1.00 0.00 H new ATOM 156 N LEU A 13 -26.163 12.781 -6.054 1.00 0.00 N ATOM 157 CA LEU A 13 -25.935 13.444 -4.757 1.00 0.00 C ATOM 158 C LEU A 13 -24.455 13.838 -4.568 1.00 0.00 C ATOM 159 O LEU A 13 -24.158 14.883 -4.003 1.00 0.00 O ATOM 160 CB LEU A 13 -26.421 12.544 -3.604 1.00 0.00 C ATOM 161 CG LEU A 13 -27.869 12.025 -3.729 1.00 0.00 C ATOM 162 CD1 LEU A 13 -28.225 11.193 -2.497 1.00 0.00 C ATOM 163 CD2 LEU A 13 -28.906 13.141 -3.870 1.00 0.00 C ATOM 0 H LEU A 13 -26.594 11.860 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 13 -26.515 14.367 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -25.752 11.687 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -26.332 13.100 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 13 -27.901 11.427 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -29.248 10.828 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -27.543 10.346 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -28.138 11.811 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -29.901 12.704 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -28.866 13.788 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -28.691 13.727 -4.764 1.00 0.00 H new ATOM 175 N TYR A 14 -23.534 13.070 -5.154 1.00 0.00 N ATOM 176 CA TYR A 14 -22.095 13.353 -5.187 1.00 0.00 C ATOM 177 C TYR A 14 -21.759 14.698 -5.866 1.00 0.00 C ATOM 178 O TYR A 14 -20.852 15.405 -5.437 1.00 0.00 O ATOM 179 CB TYR A 14 -21.369 12.195 -5.900 1.00 0.00 C ATOM 180 CG TYR A 14 -22.014 10.820 -5.767 1.00 0.00 C ATOM 181 CD1 TYR A 14 -22.350 10.305 -4.498 1.00 0.00 C ATOM 182 CD2 TYR A 14 -22.327 10.078 -6.925 1.00 0.00 C ATOM 183 CE1 TYR A 14 -23.008 9.064 -4.386 1.00 0.00 C ATOM 184 CE2 TYR A 14 -22.994 8.843 -6.817 1.00 0.00 C ATOM 185 CZ TYR A 14 -23.333 8.332 -5.548 1.00 0.00 C ATOM 186 OH TYR A 14 -23.978 7.141 -5.451 1.00 0.00 O ATOM 0 H TYR A 14 -23.776 12.204 -5.635 1.00 0.00 H new ATOM 0 HA TYR A 14 -21.752 13.438 -4.156 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -21.293 12.438 -6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -20.352 12.136 -5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -22.102 10.864 -3.608 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -22.054 10.459 -7.898 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -23.263 8.673 -3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -23.246 8.286 -7.708 1.00 0.00 H new ATOM 0 HH TYR A 14 -24.124 6.774 -6.348 1.00 0.00 H new ATOM 196 N GLN A 15 -22.519 15.082 -6.899 1.00 0.00 N ATOM 197 CA GLN A 15 -22.347 16.343 -7.637 1.00 0.00 C ATOM 198 C GLN A 15 -22.824 17.558 -6.821 1.00 0.00 C ATOM 199 O GLN A 15 -22.313 18.662 -7.000 1.00 0.00 O ATOM 200 CB GLN A 15 -23.091 16.273 -8.985 1.00 0.00 C ATOM 201 CG GLN A 15 -22.712 15.050 -9.843 1.00 0.00 C ATOM 202 CD GLN A 15 -23.479 14.995 -11.160 1.00 0.00 C ATOM 203 OE1 GLN A 15 -23.756 15.992 -11.800 1.00 0.00 O ATOM 204 NE2 GLN A 15 -23.888 13.829 -11.610 1.00 0.00 N ATOM 0 H GLN A 15 -23.288 14.513 -7.254 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.281 16.476 -7.821 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -24.164 16.254 -8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -22.883 17.181 -9.551 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -21.642 15.075 -10.051 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -22.906 14.139 -9.276 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -23.669 12.978 -11.093 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -24.424 13.776 -12.476 1.00 0.00 H new ATOM 213 N LEU A 16 -23.756 17.345 -5.882 1.00 0.00 N ATOM 214 CA LEU A 16 -24.108 18.308 -4.830 1.00 0.00 C ATOM 215 C LEU A 16 -23.047 18.333 -3.717 1.00 0.00 C ATOM 216 O LEU A 16 -22.674 19.406 -3.256 1.00 0.00 O ATOM 217 CB LEU A 16 -25.498 17.980 -4.247 1.00 0.00 C ATOM 218 CG LEU A 16 -26.633 17.839 -5.278 1.00 0.00 C ATOM 219 CD1 LEU A 16 -27.918 17.440 -4.557 1.00 0.00 C ATOM 220 CD2 LEU A 16 -26.885 19.136 -6.048 1.00 0.00 C ATOM 0 H LEU A 16 -24.297 16.482 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 16 -24.141 19.301 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -25.426 17.050 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.769 18.763 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.330 17.076 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.726 17.339 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -27.768 16.489 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.179 18.207 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.694 18.984 -6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.161 19.926 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.979 19.424 -6.582 1.00 0.00 H new ATOM 232 N GLU A 17 -22.500 17.172 -3.334 1.00 0.00 N ATOM 233 CA GLU A 17 -21.457 17.052 -2.303 1.00 0.00 C ATOM 234 C GLU A 17 -20.115 17.707 -2.671 1.00 0.00 C ATOM 235 O GLU A 17 -19.338 18.006 -1.770 1.00 0.00 O ATOM 236 CB GLU A 17 -21.269 15.585 -1.882 1.00 0.00 C ATOM 237 CG GLU A 17 -22.484 15.055 -1.107 1.00 0.00 C ATOM 238 CD GLU A 17 -22.442 13.544 -0.925 1.00 0.00 C ATOM 239 OE1 GLU A 17 -22.731 12.713 -1.779 1.00 0.00 O ATOM 240 OE2 GLU A 17 -22.052 13.131 0.298 1.00 0.00 O ATOM 0 H GLU A 17 -22.773 16.275 -3.737 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.823 17.624 -1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -21.106 14.971 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.376 15.496 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -22.526 15.535 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.397 15.329 -1.636 1.00 0.00 H new ATOM 248 N ASN A 18 -19.889 18.046 -3.947 1.00 0.00 N ATOM 249 CA ASN A 18 -18.839 18.987 -4.379 1.00 0.00 C ATOM 250 C ASN A 18 -18.959 20.371 -3.687 1.00 0.00 C ATOM 251 O ASN A 18 -17.974 21.104 -3.634 1.00 0.00 O ATOM 252 CB ASN A 18 -18.929 19.094 -5.923 1.00 0.00 C ATOM 253 CG ASN A 18 -17.887 19.951 -6.652 1.00 0.00 C ATOM 254 OD1 ASN A 18 -18.031 20.262 -7.828 1.00 0.00 O ATOM 255 ND2 ASN A 18 -16.828 20.403 -6.023 1.00 0.00 N ATOM 0 H ASN A 18 -20.436 17.671 -4.722 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.859 18.614 -4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.874 18.085 -6.330 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -19.915 19.485 -6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.157 20.993 -6.514 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -16.676 20.164 -5.043 1.00 0.00 H new ATOM 262 N TYR A 19 -20.138 20.722 -3.163 1.00 0.00 N ATOM 263 CA TYR A 19 -20.440 21.995 -2.500 1.00 0.00 C ATOM 264 C TYR A 19 -20.975 21.817 -1.066 1.00 0.00 C ATOM 265 O TYR A 19 -21.434 22.781 -0.458 1.00 0.00 O ATOM 266 CB TYR A 19 -21.367 22.831 -3.400 1.00 0.00 C ATOM 267 CG TYR A 19 -20.860 22.950 -4.828 1.00 0.00 C ATOM 268 CD1 TYR A 19 -19.830 23.860 -5.133 1.00 0.00 C ATOM 269 CD2 TYR A 19 -21.300 22.035 -5.805 1.00 0.00 C ATOM 270 CE1 TYR A 19 -19.218 23.834 -6.401 1.00 0.00 C ATOM 271 CE2 TYR A 19 -20.681 21.998 -7.067 1.00 0.00 C ATOM 272 CZ TYR A 19 -19.632 22.892 -7.365 1.00 0.00 C ATOM 273 OH TYR A 19 -18.959 22.784 -8.543 1.00 0.00 O ATOM 0 H TYR A 19 -20.944 20.098 -3.191 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.509 22.546 -2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.359 22.380 -3.409 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -21.475 23.829 -2.974 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -19.509 24.579 -4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -22.114 21.361 -5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.431 24.536 -6.635 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -21.009 21.285 -7.808 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.495 21.922 -8.577 1.00 0.00 H new ATOM 283 N CYS A 20 -20.879 20.611 -0.494 1.00 0.00 N ATOM 284 CA CYS A 20 -20.878 20.464 0.962 1.00 0.00 C ATOM 285 C CYS A 20 -19.489 20.801 1.526 1.00 0.00 C ATOM 286 O CYS A 20 -18.496 20.814 0.799 1.00 0.00 O ATOM 287 CB CYS A 20 -21.261 19.037 1.379 1.00 0.00 C ATOM 288 SG CYS A 20 -22.869 18.404 0.835 1.00 0.00 S ATOM 0 H CYS A 20 -20.802 19.735 -1.011 1.00 0.00 H new ATOM 0 HA CYS A 20 -21.619 21.155 1.366 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -20.491 18.361 1.007 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -21.231 18.986 2.467 1.00 0.00 H new ATOM 293 N ASN A 21 -19.428 20.985 2.843 1.00 0.00 N ATOM 294 CA ASN A 21 -18.188 21.058 3.617 1.00 0.00 C ATOM 295 C ASN A 21 -18.286 20.115 4.828 1.00 0.00 C ATOM 296 O ASN A 21 -18.412 18.889 4.574 1.00 0.00 O ATOM 297 CB ASN A 21 -17.875 22.553 3.894 1.00 0.00 C ATOM 298 CG ASN A 21 -19.064 23.378 4.369 1.00 0.00 C ATOM 299 OD1 ASN A 21 -19.629 24.189 3.648 1.00 0.00 O ATOM 300 ND2 ASN A 21 -19.481 23.155 5.588 1.00 0.00 N ATOM 301 OXT ASN A 21 -18.408 20.612 5.969 1.00 0.00 O ATOM 0 H ASN A 21 -20.263 21.091 3.419 1.00 0.00 H new ATOM 0 HA ASN A 21 -17.315 20.689 3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -17.087 22.611 4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -17.480 23.002 2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -20.289 23.661 5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -18.998 22.475 6.176 1.00 0.00 H new TER 308 ASN A 21 ATOM 309 N PHE B 1 -31.428 4.342 -3.581 1.00 0.00 N ATOM 310 CA PHE B 1 -31.307 5.765 -3.977 1.00 0.00 C ATOM 311 C PHE B 1 -31.287 5.878 -5.497 1.00 0.00 C ATOM 312 O PHE B 1 -31.044 4.870 -6.147 1.00 0.00 O ATOM 313 CB PHE B 1 -30.044 6.403 -3.383 1.00 0.00 C ATOM 314 CG PHE B 1 -29.925 6.214 -1.887 1.00 0.00 C ATOM 315 CD1 PHE B 1 -30.742 6.964 -1.018 1.00 0.00 C ATOM 316 CD2 PHE B 1 -29.025 5.266 -1.360 1.00 0.00 C ATOM 317 CE1 PHE B 1 -30.664 6.760 0.370 1.00 0.00 C ATOM 318 CE2 PHE B 1 -28.949 5.066 0.029 1.00 0.00 C ATOM 319 CZ PHE B 1 -29.770 5.811 0.893 1.00 0.00 C ATOM 0 H1 PHE B 1 -30.830 4.161 -2.750 1.00 0.00 H new ATOM 0 H2 PHE B 1 -32.419 4.130 -3.347 1.00 0.00 H new ATOM 0 H3 PHE B 1 -31.120 3.735 -4.368 1.00 0.00 H new ATOM 0 HA PHE B 1 -32.170 6.303 -3.585 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -29.167 5.974 -3.867 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -30.043 7.469 -3.609 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -31.428 7.696 -1.419 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -28.394 4.693 -2.023 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -31.292 7.333 1.036 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -28.259 4.339 0.433 1.00 0.00 H new ATOM 0 HZ PHE B 1 -29.713 5.654 1.960 1.00 0.00 H new ATOM 331 N VAL B 2 -31.509 7.077 -6.045 1.00 0.00 N ATOM 332 CA VAL B 2 -31.416 7.418 -7.482 1.00 0.00 C ATOM 333 C VAL B 2 -30.826 8.832 -7.634 1.00 0.00 C ATOM 334 O VAL B 2 -30.648 9.530 -6.634 1.00 0.00 O ATOM 335 CB VAL B 2 -32.779 7.296 -8.208 1.00 0.00 C ATOM 336 CG1 VAL B 2 -33.308 5.858 -8.203 1.00 0.00 C ATOM 337 CG2 VAL B 2 -33.860 8.218 -7.634 1.00 0.00 C ATOM 0 H VAL B 2 -31.772 7.882 -5.476 1.00 0.00 H new ATOM 0 HA VAL B 2 -30.753 6.697 -7.960 1.00 0.00 H new ATOM 0 HB VAL B 2 -32.572 7.608 -9.232 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -34.265 5.821 -8.723 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -32.595 5.206 -8.708 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -33.440 5.523 -7.174 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -34.788 8.081 -8.189 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -34.026 7.975 -6.585 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -33.536 9.255 -7.719 1.00 0.00 H new ATOM 347 N ASN B 3 -30.481 9.250 -8.855 1.00 0.00 N ATOM 348 CA ASN B 3 -30.105 10.640 -9.169 1.00 0.00 C ATOM 349 C ASN B 3 -31.367 11.532 -9.246 1.00 0.00 C ATOM 350 O ASN B 3 -32.466 11.010 -9.413 1.00 0.00 O ATOM 351 CB ASN B 3 -29.257 10.655 -10.463 1.00 0.00 C ATOM 352 CG ASN B 3 -27.834 10.114 -10.311 1.00 0.00 C ATOM 353 OD1 ASN B 3 -26.889 10.574 -10.925 1.00 0.00 O ATOM 354 ND2 ASN B 3 -27.579 9.169 -9.434 1.00 0.00 N ATOM 0 H ASN B 3 -30.453 8.630 -9.665 1.00 0.00 H new ATOM 0 HA ASN B 3 -29.488 11.061 -8.375 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -29.773 10.069 -11.224 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -29.203 11.679 -10.832 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -26.620 8.851 -9.291 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -28.340 8.754 -8.896 1.00 0.00 H new ATOM 361 N GLN B 4 -31.219 12.850 -9.085 1.00 0.00 N ATOM 362 CA GLN B 4 -32.317 13.803 -8.847 1.00 0.00 C ATOM 363 C GLN B 4 -32.309 14.952 -9.865 1.00 0.00 C ATOM 364 O GLN B 4 -31.241 15.460 -10.202 1.00 0.00 O ATOM 365 CB GLN B 4 -32.197 14.397 -7.429 1.00 0.00 C ATOM 366 CG GLN B 4 -32.039 13.373 -6.294 1.00 0.00 C ATOM 367 CD GLN B 4 -33.200 12.393 -6.194 1.00 0.00 C ATOM 368 OE1 GLN B 4 -34.359 12.719 -6.360 1.00 0.00 O ATOM 369 NE2 GLN B 4 -32.945 11.137 -5.906 1.00 0.00 N ATOM 0 H GLN B 4 -30.305 13.301 -9.117 1.00 0.00 H new ATOM 0 HA GLN B 4 -33.252 13.253 -8.954 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -31.341 15.072 -7.408 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -33.083 15.000 -7.230 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -31.115 12.815 -6.445 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -31.940 13.904 -5.347 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -31.982 10.832 -5.761 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -33.710 10.466 -5.827 1.00 0.00 H new ATOM 378 N HIS B 5 -33.483 15.391 -10.325 1.00 0.00 N ATOM 379 CA HIS B 5 -33.654 16.620 -11.120 1.00 0.00 C ATOM 380 C HIS B 5 -34.047 17.780 -10.196 1.00 0.00 C ATOM 381 O HIS B 5 -34.926 17.625 -9.350 1.00 0.00 O ATOM 382 CB HIS B 5 -34.691 16.384 -12.226 1.00 0.00 C ATOM 383 CG HIS B 5 -34.931 17.582 -13.106 1.00 0.00 C ATOM 384 ND1 HIS B 5 -36.039 18.427 -13.036 1.00 0.00 N ATOM 385 CD2 HIS B 5 -34.109 18.012 -14.105 1.00 0.00 C ATOM 386 CE1 HIS B 5 -35.875 19.328 -14.014 1.00 0.00 C ATOM 387 NE2 HIS B 5 -34.725 19.106 -14.669 1.00 0.00 N ATOM 0 H HIS B 5 -34.359 14.897 -10.155 1.00 0.00 H new ATOM 0 HA HIS B 5 -32.715 16.887 -11.605 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -34.362 15.550 -12.846 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -35.635 16.088 -11.768 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -33.163 17.580 -14.396 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -36.571 20.122 -14.243 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -34.368 19.655 -15.451 1.00 0.00 H new ATOM 395 N LEU B 6 -33.339 18.908 -10.293 1.00 0.00 N ATOM 396 CA LEU B 6 -33.301 19.966 -9.279 1.00 0.00 C ATOM 397 C LEU B 6 -33.095 21.349 -9.922 1.00 0.00 C ATOM 398 O LEU B 6 -31.966 21.806 -10.113 1.00 0.00 O ATOM 399 CB LEU B 6 -32.167 19.670 -8.274 1.00 0.00 C ATOM 400 CG LEU B 6 -32.251 18.354 -7.481 1.00 0.00 C ATOM 401 CD1 LEU B 6 -30.916 18.120 -6.776 1.00 0.00 C ATOM 402 CD2 LEU B 6 -33.370 18.398 -6.442 1.00 0.00 C ATOM 0 H LEU B 6 -32.758 19.117 -11.105 1.00 0.00 H new ATOM 0 HA LEU B 6 -34.258 19.983 -8.758 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -31.223 19.675 -8.819 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -32.127 20.492 -7.559 1.00 0.00 H new ATOM 0 HG LEU B 6 -32.468 17.543 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -30.962 17.190 -6.210 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -30.120 18.055 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -30.713 18.948 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -33.401 17.453 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -33.184 19.212 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -34.325 18.561 -6.942 1.00 0.00 H new ATOM 414 N CYS B 7 -34.195 22.037 -10.230 1.00 0.00 N ATOM 415 CA CYS B 7 -34.194 23.424 -10.708 1.00 0.00 C ATOM 416 C CYS B 7 -34.511 24.432 -9.585 1.00 0.00 C ATOM 417 O CYS B 7 -35.378 24.192 -8.743 1.00 0.00 O ATOM 418 CB CYS B 7 -35.206 23.570 -11.850 1.00 0.00 C ATOM 419 SG CYS B 7 -34.912 22.549 -13.319 1.00 0.00 S ATOM 0 H CYS B 7 -35.131 21.640 -10.153 1.00 0.00 H new ATOM 0 HA CYS B 7 -33.190 23.652 -11.066 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -36.197 23.333 -11.462 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -35.226 24.615 -12.158 1.00 0.00 H new ATOM 424 N GLY B 8 -33.873 25.608 -9.616 1.00 0.00 N ATOM 425 CA GLY B 8 -34.229 26.750 -8.763 1.00 0.00 C ATOM 426 C GLY B 8 -34.133 26.459 -7.260 1.00 0.00 C ATOM 427 O GLY B 8 -33.105 25.991 -6.773 1.00 0.00 O ATOM 0 H GLY B 8 -33.088 25.796 -10.239 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -33.574 27.588 -9.003 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -35.246 27.063 -8.998 1.00 0.00 H new ATOM 431 N SER B 9 -35.209 26.733 -6.518 1.00 0.00 N ATOM 432 CA SER B 9 -35.284 26.499 -5.067 1.00 0.00 C ATOM 433 C SER B 9 -35.087 25.028 -4.681 1.00 0.00 C ATOM 434 O SER B 9 -34.568 24.753 -3.599 1.00 0.00 O ATOM 435 CB SER B 9 -36.630 26.995 -4.530 1.00 0.00 C ATOM 436 OG SER B 9 -37.696 26.421 -5.264 1.00 0.00 O ATOM 0 H SER B 9 -36.064 27.128 -6.909 1.00 0.00 H new ATOM 0 HA SER B 9 -34.464 27.058 -4.617 1.00 0.00 H new ATOM 0 HB2 SER B 9 -36.726 26.737 -3.475 1.00 0.00 H new ATOM 0 HB3 SER B 9 -36.677 28.082 -4.597 1.00 0.00 H new ATOM 0 HG SER B 9 -38.550 26.745 -4.909 1.00 0.00 H new ATOM 442 N HIS B 10 -35.420 24.074 -5.559 1.00 0.00 N ATOM 443 CA HIS B 10 -35.187 22.648 -5.300 1.00 0.00 C ATOM 444 C HIS B 10 -33.698 22.305 -5.179 1.00 0.00 C ATOM 445 O HIS B 10 -33.342 21.434 -4.392 1.00 0.00 O ATOM 446 CB HIS B 10 -35.853 21.792 -6.382 1.00 0.00 C ATOM 447 CG HIS B 10 -37.337 22.030 -6.489 1.00 0.00 C ATOM 448 ND1 HIS B 10 -38.257 21.808 -5.465 1.00 0.00 N ATOM 449 CD2 HIS B 10 -38.002 22.475 -7.594 1.00 0.00 C ATOM 450 CE1 HIS B 10 -39.457 22.108 -5.977 1.00 0.00 C ATOM 451 NE2 HIS B 10 -39.337 22.515 -7.253 1.00 0.00 N ATOM 0 H HIS B 10 -35.855 24.266 -6.461 1.00 0.00 H new ATOM 0 HA HIS B 10 -35.641 22.421 -4.335 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.386 22.004 -7.344 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -35.674 20.739 -6.166 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -37.569 22.743 -8.546 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -40.391 22.034 -5.440 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -40.102 22.803 -7.863 1.00 0.00 H new ATOM 459 N LEU B 11 -32.813 23.006 -5.898 1.00 0.00 N ATOM 460 CA LEU B 11 -31.366 22.761 -5.843 1.00 0.00 C ATOM 461 C LEU B 11 -30.756 23.144 -4.486 1.00 0.00 C ATOM 462 O LEU B 11 -29.969 22.379 -3.932 1.00 0.00 O ATOM 463 CB LEU B 11 -30.697 23.504 -7.015 1.00 0.00 C ATOM 464 CG LEU B 11 -29.191 23.216 -7.182 1.00 0.00 C ATOM 465 CD1 LEU B 11 -28.921 21.760 -7.562 1.00 0.00 C ATOM 466 CD2 LEU B 11 -28.622 24.109 -8.288 1.00 0.00 C ATOM 0 H LEU B 11 -33.079 23.758 -6.534 1.00 0.00 H new ATOM 0 HA LEU B 11 -31.183 21.691 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -31.210 23.235 -7.939 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -30.835 24.576 -6.875 1.00 0.00 H new ATOM 0 HG LEU B 11 -28.715 23.419 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -27.847 21.605 -7.669 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -29.307 21.103 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -29.416 21.533 -8.506 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -27.558 23.907 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -29.138 23.901 -9.225 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -28.765 25.156 -8.020 1.00 0.00 H new ATOM 478 N VAL B 12 -31.146 24.294 -3.923 1.00 0.00 N ATOM 479 CA VAL B 12 -30.700 24.697 -2.577 1.00 0.00 C ATOM 480 C VAL B 12 -31.391 23.895 -1.471 1.00 0.00 C ATOM 481 O VAL B 12 -30.728 23.538 -0.503 1.00 0.00 O ATOM 482 CB VAL B 12 -30.809 26.213 -2.339 1.00 0.00 C ATOM 483 CG1 VAL B 12 -29.793 26.961 -3.211 1.00 0.00 C ATOM 484 CG2 VAL B 12 -32.203 26.778 -2.620 1.00 0.00 C ATOM 0 H VAL B 12 -31.769 24.963 -4.375 1.00 0.00 H new ATOM 0 HA VAL B 12 -29.638 24.455 -2.531 1.00 0.00 H new ATOM 0 HB VAL B 12 -30.601 26.363 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -29.880 28.033 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -28.785 26.632 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -29.991 26.750 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -32.205 27.851 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -32.468 26.592 -3.661 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -32.930 26.293 -1.969 1.00 0.00 H new ATOM 494 N GLU B 13 -32.658 23.495 -1.645 1.00 0.00 N ATOM 495 CA GLU B 13 -33.309 22.522 -0.759 1.00 0.00 C ATOM 496 C GLU B 13 -32.547 21.183 -0.737 1.00 0.00 C ATOM 497 O GLU B 13 -32.307 20.629 0.332 1.00 0.00 O ATOM 498 CB GLU B 13 -34.770 22.344 -1.214 1.00 0.00 C ATOM 499 CG GLU B 13 -35.574 21.272 -0.456 1.00 0.00 C ATOM 500 CD GLU B 13 -35.879 21.621 0.998 1.00 0.00 C ATOM 501 OE1 GLU B 13 -35.590 22.665 1.563 1.00 0.00 O ATOM 502 OE2 GLU B 13 -36.565 20.680 1.674 1.00 0.00 O ATOM 0 H GLU B 13 -33.256 23.834 -2.398 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.297 22.895 0.265 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -35.284 23.300 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -34.774 22.094 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -36.514 21.102 -0.981 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.020 20.334 -0.483 1.00 0.00 H new ATOM 510 N ALA B 14 -32.121 20.666 -1.893 1.00 0.00 N ATOM 511 CA ALA B 14 -31.345 19.430 -1.970 1.00 0.00 C ATOM 512 C ALA B 14 -29.934 19.569 -1.375 1.00 0.00 C ATOM 513 O ALA B 14 -29.497 18.663 -0.670 1.00 0.00 O ATOM 514 CB ALA B 14 -31.295 18.980 -3.426 1.00 0.00 C ATOM 0 H ALA B 14 -32.306 21.094 -2.800 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.840 18.673 -1.362 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -30.719 18.058 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -32.308 18.806 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.822 19.754 -4.030 1.00 0.00 H new ATOM 520 N LEU B 15 -29.242 20.696 -1.588 1.00 0.00 N ATOM 521 CA LEU B 15 -27.978 20.990 -0.894 1.00 0.00 C ATOM 522 C LEU B 15 -28.173 21.030 0.630 1.00 0.00 C ATOM 523 O LEU B 15 -27.393 20.420 1.356 1.00 0.00 O ATOM 524 CB LEU B 15 -27.381 22.314 -1.405 1.00 0.00 C ATOM 525 CG LEU B 15 -26.707 22.197 -2.784 1.00 0.00 C ATOM 526 CD1 LEU B 15 -26.567 23.573 -3.438 1.00 0.00 C ATOM 527 CD2 LEU B 15 -25.304 21.595 -2.660 1.00 0.00 C ATOM 0 H LEU B 15 -29.537 21.424 -2.239 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.277 20.185 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -28.172 23.062 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -26.649 22.675 -0.682 1.00 0.00 H new ATOM 0 HG LEU B 15 -27.339 21.551 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.088 23.466 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -27.554 24.017 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -25.959 24.217 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -24.850 21.523 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -24.690 22.232 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -25.372 20.600 -2.219 1.00 0.00 H new ATOM 539 N TYR B 16 -29.248 21.655 1.121 1.00 0.00 N ATOM 540 CA TYR B 16 -29.586 21.657 2.548 1.00 0.00 C ATOM 541 C TYR B 16 -29.822 20.241 3.097 1.00 0.00 C ATOM 542 O TYR B 16 -29.257 19.890 4.131 1.00 0.00 O ATOM 543 CB TYR B 16 -30.806 22.560 2.799 1.00 0.00 C ATOM 544 CG TYR B 16 -31.212 22.669 4.260 1.00 0.00 C ATOM 545 CD1 TYR B 16 -30.270 23.070 5.230 1.00 0.00 C ATOM 546 CD2 TYR B 16 -32.532 22.364 4.651 1.00 0.00 C ATOM 547 CE1 TYR B 16 -30.637 23.156 6.586 1.00 0.00 C ATOM 548 CE2 TYR B 16 -32.903 22.451 6.008 1.00 0.00 C ATOM 549 CZ TYR B 16 -31.955 22.841 6.977 1.00 0.00 C ATOM 550 OH TYR B 16 -32.312 22.917 8.285 1.00 0.00 O ATOM 0 H TYR B 16 -29.908 22.173 0.541 1.00 0.00 H new ATOM 0 HA TYR B 16 -28.729 22.059 3.090 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -30.589 23.558 2.419 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.651 22.177 2.227 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -29.261 23.313 4.930 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -33.259 22.064 3.911 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -29.911 23.462 7.325 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -33.915 22.219 6.306 1.00 0.00 H new ATOM 0 HH TYR B 16 -33.255 22.668 8.382 1.00 0.00 H new ATOM 560 N LEU B 17 -30.591 19.406 2.389 1.00 0.00 N ATOM 561 CA LEU B 17 -30.865 18.015 2.782 1.00 0.00 C ATOM 562 C LEU B 17 -29.629 17.094 2.714 1.00 0.00 C ATOM 563 O LEU B 17 -29.510 16.183 3.531 1.00 0.00 O ATOM 564 CB LEU B 17 -31.989 17.450 1.891 1.00 0.00 C ATOM 565 CG LEU B 17 -33.381 18.072 2.118 1.00 0.00 C ATOM 566 CD1 LEU B 17 -34.321 17.641 0.990 1.00 0.00 C ATOM 567 CD2 LEU B 17 -33.997 17.642 3.452 1.00 0.00 C ATOM 0 H LEU B 17 -31.046 19.678 1.518 1.00 0.00 H new ATOM 0 HA LEU B 17 -31.169 18.036 3.829 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -31.710 17.594 0.847 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -32.057 16.375 2.058 1.00 0.00 H new ATOM 0 HG LEU B 17 -33.254 19.154 2.133 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -35.306 18.080 1.149 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -33.922 17.981 0.034 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -34.405 16.554 0.982 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -34.977 18.106 3.567 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -34.104 16.557 3.470 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -33.349 17.956 4.270 1.00 0.00 H new ATOM 579 N VAL B 18 -28.722 17.300 1.753 1.00 0.00 N ATOM 580 CA VAL B 18 -27.532 16.448 1.547 1.00 0.00 C ATOM 581 C VAL B 18 -26.342 16.878 2.413 1.00 0.00 C ATOM 582 O VAL B 18 -25.593 16.033 2.912 1.00 0.00 O ATOM 583 CB VAL B 18 -27.169 16.420 0.048 1.00 0.00 C ATOM 584 CG1 VAL B 18 -25.826 15.746 -0.255 1.00 0.00 C ATOM 585 CG2 VAL B 18 -28.235 15.643 -0.739 1.00 0.00 C ATOM 0 H VAL B 18 -28.789 18.069 1.086 1.00 0.00 H new ATOM 0 HA VAL B 18 -27.781 15.437 1.870 1.00 0.00 H new ATOM 0 HB VAL B 18 -27.109 17.467 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -25.643 15.766 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -25.027 16.280 0.260 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -25.852 14.712 0.089 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -27.969 15.629 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -28.290 14.620 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -29.204 16.127 -0.615 1.00 0.00 H new ATOM 595 N CYS B 19 -26.148 18.181 2.615 1.00 0.00 N ATOM 596 CA CYS B 19 -25.055 18.701 3.434 1.00 0.00 C ATOM 597 C CYS B 19 -25.444 18.841 4.919 1.00 0.00 C ATOM 598 O CYS B 19 -24.616 18.577 5.796 1.00 0.00 O ATOM 599 CB CYS B 19 -24.546 20.010 2.828 1.00 0.00 C ATOM 600 SG CYS B 19 -24.169 19.952 1.051 1.00 0.00 S ATOM 0 H CYS B 19 -26.745 18.905 2.215 1.00 0.00 H new ATOM 0 HA CYS B 19 -24.239 17.979 3.426 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -25.294 20.784 2.998 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -23.646 20.313 3.363 1.00 0.00 H new ATOM 605 N GLY B 20 -26.706 19.166 5.216 1.00 0.00 N ATOM 606 CA GLY B 20 -27.276 19.157 6.565 1.00 0.00 C ATOM 607 C GLY B 20 -26.631 20.161 7.525 1.00 0.00 C ATOM 608 O GLY B 20 -26.491 21.342 7.214 1.00 0.00 O ATOM 0 H GLY B 20 -27.378 19.451 4.503 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -28.343 19.369 6.498 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -27.176 18.155 6.983 1.00 0.00 H new ATOM 612 N GLU B 21 -26.222 19.683 8.707 1.00 0.00 N ATOM 613 CA GLU B 21 -25.652 20.499 9.797 1.00 0.00 C ATOM 614 C GLU B 21 -24.405 21.319 9.415 1.00 0.00 C ATOM 615 O GLU B 21 -24.022 22.223 10.149 1.00 0.00 O ATOM 616 CB GLU B 21 -25.293 19.579 10.978 1.00 0.00 C ATOM 617 CG GLU B 21 -26.514 18.911 11.631 1.00 0.00 C ATOM 618 CD GLU B 21 -26.150 18.120 12.887 1.00 0.00 C ATOM 619 OE1 GLU B 21 -26.751 18.178 13.947 1.00 0.00 O ATOM 620 OE2 GLU B 21 -25.068 17.321 12.787 1.00 0.00 O ATOM 0 H GLU B 21 -26.278 18.692 8.942 1.00 0.00 H new ATOM 0 HA GLU B 21 -26.423 21.225 10.055 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -24.609 18.805 10.630 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -24.761 20.160 11.731 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -27.248 19.675 11.887 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -26.987 18.244 10.910 1.00 0.00 H new ATOM 628 N ARG B 22 -23.770 21.007 8.283 1.00 0.00 N ATOM 629 CA ARG B 22 -22.593 21.700 7.747 1.00 0.00 C ATOM 630 C ARG B 22 -22.883 23.081 7.153 1.00 0.00 C ATOM 631 O ARG B 22 -21.956 23.867 6.974 1.00 0.00 O ATOM 632 CB ARG B 22 -22.022 20.807 6.644 1.00 0.00 C ATOM 633 CG ARG B 22 -21.405 19.527 7.214 1.00 0.00 C ATOM 634 CD ARG B 22 -20.907 18.677 6.056 1.00 0.00 C ATOM 635 NE ARG B 22 -21.915 17.779 5.478 1.00 0.00 N ATOM 636 CZ ARG B 22 -21.624 16.885 4.555 1.00 0.00 C ATOM 637 NH1 ARG B 22 -20.422 16.804 4.043 1.00 0.00 N ATOM 638 NH2 ARG B 22 -22.544 16.067 4.120 1.00 0.00 N ATOM 0 H ARG B 22 -24.073 20.234 7.690 1.00 0.00 H new ATOM 0 HA ARG B 22 -21.905 21.871 8.575 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -22.813 20.548 5.940 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.266 21.358 6.085 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -20.583 19.770 7.887 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -22.143 18.977 7.798 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -20.535 19.337 5.272 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -20.061 18.080 6.398 1.00 0.00 H new ATOM 0 HE ARG B 22 -22.879 17.850 5.804 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -19.690 17.440 4.358 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -20.218 16.104 3.329 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -23.491 16.119 4.495 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -22.316 15.376 3.405 1.00 0.00 H new ATOM 652 N GLY B 23 -24.133 23.343 6.767 1.00 0.00 N ATOM 653 CA GLY B 23 -24.409 24.312 5.704 1.00 0.00 C ATOM 654 C GLY B 23 -23.908 23.797 4.347 1.00 0.00 C ATOM 655 O GLY B 23 -23.668 22.599 4.187 1.00 0.00 O ATOM 0 H GLY B 23 -24.961 22.904 7.169 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -25.481 24.504 5.651 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -23.926 25.261 5.938 1.00 0.00 H new ATOM 659 N PHE B 24 -23.784 24.687 3.364 1.00 0.00 N ATOM 660 CA PHE B 24 -23.303 24.362 2.018 1.00 0.00 C ATOM 661 C PHE B 24 -22.813 25.615 1.286 1.00 0.00 C ATOM 662 O PHE B 24 -23.303 26.723 1.512 1.00 0.00 O ATOM 663 CB PHE B 24 -24.412 23.667 1.207 1.00 0.00 C ATOM 664 CG PHE B 24 -25.734 24.410 1.129 1.00 0.00 C ATOM 665 CD1 PHE B 24 -26.728 24.172 2.096 1.00 0.00 C ATOM 666 CD2 PHE B 24 -25.980 25.324 0.088 1.00 0.00 C ATOM 667 CE1 PHE B 24 -27.952 24.861 2.033 1.00 0.00 C ATOM 668 CE2 PHE B 24 -27.213 25.997 0.013 1.00 0.00 C ATOM 669 CZ PHE B 24 -28.199 25.765 0.987 1.00 0.00 C ATOM 0 H PHE B 24 -24.019 25.673 3.481 1.00 0.00 H new ATOM 0 HA PHE B 24 -22.459 23.680 2.118 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -24.047 23.504 0.193 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -24.594 22.684 1.642 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -26.551 23.459 2.888 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -25.220 25.510 -0.656 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -28.704 24.695 2.790 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -27.402 26.691 -0.792 1.00 0.00 H new ATOM 0 HZ PHE B 24 -29.146 26.281 0.931 1.00 0.00 H new ATOM 679 N PHE B 25 -21.865 25.429 0.374 1.00 0.00 N ATOM 680 CA PHE B 25 -21.426 26.438 -0.582 1.00 0.00 C ATOM 681 C PHE B 25 -22.411 26.555 -1.757 1.00 0.00 C ATOM 682 O PHE B 25 -23.101 25.602 -2.123 1.00 0.00 O ATOM 683 CB PHE B 25 -20.015 26.078 -1.087 1.00 0.00 C ATOM 684 CG PHE B 25 -19.011 27.197 -0.909 1.00 0.00 C ATOM 685 CD1 PHE B 25 -18.827 28.160 -1.920 1.00 0.00 C ATOM 686 CD2 PHE B 25 -18.275 27.285 0.287 1.00 0.00 C ATOM 687 CE1 PHE B 25 -17.904 29.205 -1.736 1.00 0.00 C ATOM 688 CE2 PHE B 25 -17.351 28.328 0.470 1.00 0.00 C ATOM 689 CZ PHE B 25 -17.164 29.287 -0.542 1.00 0.00 C ATOM 0 H PHE B 25 -21.366 24.545 0.277 1.00 0.00 H new ATOM 0 HA PHE B 25 -21.396 27.407 -0.085 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -19.661 25.194 -0.556 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -20.071 25.814 -2.143 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -19.395 28.096 -2.837 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -18.420 26.550 1.065 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.763 29.944 -2.511 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -16.785 28.393 1.387 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.452 30.087 -0.402 1.00 0.00 H new ATOM 699 N TYR B 26 -22.400 27.696 -2.449 1.00 0.00 N ATOM 700 CA TYR B 26 -22.981 27.799 -3.789 1.00 0.00 C ATOM 701 C TYR B 26 -22.051 28.565 -4.734 1.00 0.00 C ATOM 702 O TYR B 26 -21.215 29.355 -4.304 1.00 0.00 O ATOM 703 CB TYR B 26 -24.409 28.362 -3.746 1.00 0.00 C ATOM 704 CG TYR B 26 -25.136 28.173 -5.064 1.00 0.00 C ATOM 705 CD1 TYR B 26 -25.457 26.867 -5.485 1.00 0.00 C ATOM 706 CD2 TYR B 26 -25.434 29.273 -5.893 1.00 0.00 C ATOM 707 CE1 TYR B 26 -26.063 26.654 -6.738 1.00 0.00 C ATOM 708 CE2 TYR B 26 -26.042 29.063 -7.147 1.00 0.00 C ATOM 709 CZ TYR B 26 -26.356 27.754 -7.572 1.00 0.00 C ATOM 710 OH TYR B 26 -26.945 27.550 -8.780 1.00 0.00 O ATOM 0 H TYR B 26 -21.993 28.565 -2.102 1.00 0.00 H new ATOM 0 HA TYR B 26 -23.075 26.794 -4.200 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -24.968 27.870 -2.950 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -24.373 29.424 -3.501 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -25.237 26.026 -4.844 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -25.197 30.275 -5.568 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -26.303 25.651 -7.060 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -26.268 29.905 -7.784 1.00 0.00 H new ATOM 0 HH TYR B 26 -27.079 28.411 -9.228 1.00 0.00 H new ATOM 720 N THR B 27 -22.163 28.290 -6.034 1.00 0.00 N ATOM 721 CA THR B 27 -21.202 28.726 -7.063 1.00 0.00 C ATOM 722 C THR B 27 -21.926 29.122 -8.363 1.00 0.00 C ATOM 723 O THR B 27 -21.950 28.339 -9.317 1.00 0.00 O ATOM 724 CB THR B 27 -20.123 27.652 -7.295 1.00 0.00 C ATOM 725 OG1 THR B 27 -20.677 26.358 -7.411 1.00 0.00 O ATOM 726 CG2 THR B 27 -19.095 27.586 -6.168 1.00 0.00 C ATOM 0 H THR B 27 -22.938 27.747 -6.415 1.00 0.00 H new ATOM 0 HA THR B 27 -20.691 29.619 -6.703 1.00 0.00 H new ATOM 0 HB THR B 27 -19.640 27.954 -8.224 1.00 0.00 H new ATOM 0 HG1 THR B 27 -20.063 25.703 -7.018 1.00 0.00 H new ATOM 0 HG21 THR B 27 -18.362 26.811 -6.389 1.00 0.00 H new ATOM 0 HG22 THR B 27 -18.590 28.548 -6.079 1.00 0.00 H new ATOM 0 HG23 THR B 27 -19.598 27.352 -5.230 1.00 0.00 H new ATOM 734 N PRO B 28 -22.567 30.310 -8.390 1.00 0.00 N ATOM 735 CA PRO B 28 -23.355 30.799 -9.525 1.00 0.00 C ATOM 736 C PRO B 28 -22.496 31.165 -10.750 1.00 0.00 C ATOM 737 O PRO B 28 -21.267 31.159 -10.702 1.00 0.00 O ATOM 738 CB PRO B 28 -24.106 32.025 -8.981 1.00 0.00 C ATOM 739 CG PRO B 28 -23.149 32.583 -7.933 1.00 0.00 C ATOM 740 CD PRO B 28 -22.542 31.318 -7.332 1.00 0.00 C ATOM 0 HA PRO B 28 -24.026 30.023 -9.893 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -24.312 32.752 -9.766 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -25.065 31.748 -8.544 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -22.389 33.225 -8.378 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -23.670 33.178 -7.184 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -21.523 31.499 -6.992 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -23.113 30.986 -6.465 1.00 0.00 H new ATOM 748 N LYS B 29 -23.170 31.525 -11.848 1.00 0.00 N ATOM 749 CA LYS B 29 -22.590 32.073 -13.081 1.00 0.00 C ATOM 750 C LYS B 29 -23.529 33.155 -13.629 1.00 0.00 C ATOM 751 O LYS B 29 -24.738 32.941 -13.594 1.00 0.00 O ATOM 752 CB LYS B 29 -22.413 30.935 -14.107 1.00 0.00 C ATOM 753 CG LYS B 29 -21.478 31.302 -15.276 1.00 0.00 C ATOM 754 CD LYS B 29 -21.767 30.489 -16.551 1.00 0.00 C ATOM 755 CE LYS B 29 -23.022 30.990 -17.288 1.00 0.00 C ATOM 756 NZ LYS B 29 -22.749 32.187 -18.117 1.00 0.00 N ATOM 0 H LYS B 29 -24.185 31.438 -11.904 1.00 0.00 H new ATOM 0 HA LYS B 29 -21.615 32.516 -12.881 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -22.018 30.056 -13.598 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -23.390 30.660 -14.506 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -21.581 32.364 -15.497 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -20.444 31.138 -14.973 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -20.908 30.547 -17.219 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -21.897 29.439 -16.289 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -23.410 30.193 -17.922 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -23.798 31.225 -16.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -23.631 32.720 -18.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -22.053 32.791 -17.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -22.371 31.891 -19.040 1.00 0.00 H new ATOM 770 N ALA B 30 -22.978 34.259 -14.137 1.00 0.00 N ATOM 771 CA ALA B 30 -23.652 35.133 -15.103 1.00 0.00 C ATOM 772 C ALA B 30 -23.357 34.606 -16.510 1.00 0.00 C ATOM 773 O ALA B 30 -22.157 34.441 -16.827 1.00 0.00 O ATOM 774 CB ALA B 30 -23.177 36.578 -14.893 1.00 0.00 C ATOM 775 OXT ALA B 30 -24.287 34.135 -17.199 1.00 0.00 O ATOM 0 H ALA B 30 -22.041 34.576 -13.887 1.00 0.00 H new ATOM 0 HA ALA B 30 -24.733 35.132 -14.964 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -23.675 37.232 -15.609 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -23.420 36.897 -13.879 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -22.099 36.632 -15.042 1.00 0.00 H new TER 781 ALA B 30