USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -61:sc= 0.955 USER MOD Single : A 9 SER OG : rot 71:sc= 0.887 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00135 K(o=-0.0014,f=-1.3) USER MOD Single : A 18 ASN : amide:sc= -1.6 K(o=-1.6,f=-6.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.938 K(o=-0.94,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.261 K(o=-0.26,f=-4.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-1.1) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 35:sc= -1.28 USER MOD Single : B 27 THR OG1 : rot 79:sc= 0.0226 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0286 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.500 9.586 -2.893 1.00 0.00 N ATOM 2 CA GLY A 1 -14.476 9.005 -1.918 1.00 0.00 C ATOM 3 C GLY A 1 -13.280 8.293 -2.450 1.00 0.00 C ATOM 4 O GLY A 1 -13.036 7.145 -2.132 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.265 10.046 -2.360 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.037 10.286 -3.507 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.896 8.822 -3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.118 9.824 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.005 8.312 -1.263 1.00 0.00 H new ATOM 10 N ILE A 2 -12.502 8.948 -3.269 1.00 0.00 N ATOM 11 CA ILE A 2 -11.290 8.289 -3.833 1.00 0.00 C ATOM 12 C ILE A 2 -10.054 8.747 -3.057 1.00 0.00 C ATOM 13 O ILE A 2 -9.616 9.874 -3.175 1.00 0.00 O ATOM 14 CB ILE A 2 -11.139 8.673 -5.306 1.00 0.00 C ATOM 15 CG1 ILE A 2 -11.369 10.178 -5.466 1.00 0.00 C ATOM 16 CG2 ILE A 2 -12.168 7.909 -6.141 1.00 0.00 C ATOM 17 CD1 ILE A 2 -10.285 10.766 -6.372 1.00 0.00 C ATOM 0 H ILE A 2 -12.654 9.910 -3.571 1.00 0.00 H new ATOM 0 HA ILE A 2 -11.392 7.207 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.135 8.420 -5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.355 10.363 -5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -11.347 10.666 -4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -12.060 8.183 -7.191 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -12.006 6.837 -6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.172 8.162 -5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -10.448 11.838 -6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.305 10.594 -5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -10.328 10.286 -7.350 1.00 0.00 H new ATOM 29 N VAL A 3 -9.486 7.879 -2.263 1.00 0.00 N ATOM 30 CA VAL A 3 -8.283 8.257 -1.480 1.00 0.00 C ATOM 31 C VAL A 3 -7.105 8.492 -2.428 1.00 0.00 C ATOM 32 O VAL A 3 -7.187 8.232 -3.612 1.00 0.00 O ATOM 33 CB VAL A 3 -7.941 7.120 -0.520 1.00 0.00 C ATOM 34 CG1 VAL A 3 -8.889 7.155 0.679 1.00 0.00 C ATOM 35 CG2 VAL A 3 -8.087 5.782 -1.247 1.00 0.00 C ATOM 0 H VAL A 3 -9.808 6.921 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.481 9.171 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.915 7.237 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.642 6.342 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.785 8.108 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.916 7.039 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.843 4.968 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.113 5.668 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.409 5.755 -2.100 1.00 0.00 H new ATOM 45 N GLU A 4 -6.007 8.978 -1.915 1.00 0.00 N ATOM 46 CA GLU A 4 -4.823 9.221 -2.785 1.00 0.00 C ATOM 47 C GLU A 4 -3.579 8.646 -2.112 1.00 0.00 C ATOM 48 O GLU A 4 -2.540 9.273 -2.056 1.00 0.00 O ATOM 49 CB GLU A 4 -4.641 10.726 -3.001 1.00 0.00 C ATOM 50 CG GLU A 4 -6.011 11.405 -3.050 1.00 0.00 C ATOM 51 CD GLU A 4 -6.384 11.904 -1.653 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.586 11.725 -0.748 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.463 12.457 -1.511 1.00 0.00 O ATOM 0 H GLU A 4 -5.880 9.217 -0.932 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.974 8.737 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.042 11.150 -2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.100 10.908 -3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.991 12.239 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.764 10.704 -3.410 1.00 0.00 H new ATOM 60 N GLN A 5 -3.683 7.456 -1.595 1.00 0.00 N ATOM 61 CA GLN A 5 -2.523 6.829 -0.920 1.00 0.00 C ATOM 62 C GLN A 5 -1.619 6.166 -1.960 1.00 0.00 C ATOM 63 O GLN A 5 -2.047 5.320 -2.720 1.00 0.00 O ATOM 64 CB GLN A 5 -3.016 5.774 0.073 1.00 0.00 C ATOM 65 CG GLN A 5 -3.311 6.438 1.420 1.00 0.00 C ATOM 66 CD GLN A 5 -2.352 5.894 2.479 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.773 5.284 3.442 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.069 6.094 2.344 1.00 0.00 N ATOM 0 H GLN A 5 -4.530 6.889 -1.613 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.960 7.595 -0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.914 5.290 -0.310 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.263 4.996 0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.201 7.519 1.336 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.342 6.244 1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.715 6.606 1.536 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.421 5.738 3.047 1.00 0.00 H new ATOM 77 N CYS A 6 -0.370 6.538 -1.997 1.00 0.00 N ATOM 78 CA CYS A 6 0.560 5.925 -2.985 1.00 0.00 C ATOM 79 C CYS A 6 0.175 6.366 -4.397 1.00 0.00 C ATOM 80 O CYS A 6 0.569 5.764 -5.375 1.00 0.00 O ATOM 81 CB CYS A 6 0.478 4.402 -2.876 1.00 0.00 C ATOM 82 SG CYS A 6 0.587 3.917 -1.135 1.00 0.00 S ATOM 0 H CYS A 6 0.047 7.240 -1.386 1.00 0.00 H new ATOM 0 HA CYS A 6 1.580 6.249 -2.778 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.458 4.045 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.286 3.942 -3.444 1.00 0.00 H new ATOM 87 N CYS A 7 -0.586 7.418 -4.508 1.00 0.00 N ATOM 88 CA CYS A 7 -0.991 7.907 -5.855 1.00 0.00 C ATOM 89 C CYS A 7 -0.641 9.393 -5.978 1.00 0.00 C ATOM 90 O CYS A 7 -0.836 10.002 -7.011 1.00 0.00 O ATOM 91 CB CYS A 7 -2.497 7.719 -6.034 1.00 0.00 C ATOM 92 SG CYS A 7 -3.010 8.422 -7.621 1.00 0.00 S ATOM 0 H CYS A 7 -0.946 7.961 -3.723 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.464 7.343 -6.624 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.749 6.659 -5.995 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.034 8.204 -5.219 1.00 0.00 H new ATOM 97 N THR A 8 -0.121 9.978 -4.929 1.00 0.00 N ATOM 98 CA THR A 8 0.247 11.420 -4.975 1.00 0.00 C ATOM 99 C THR A 8 0.387 11.947 -3.544 1.00 0.00 C ATOM 100 O THR A 8 -0.095 13.014 -3.216 1.00 0.00 O ATOM 101 CB THR A 8 -0.843 12.206 -5.709 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.749 13.582 -5.368 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.217 11.671 -5.305 1.00 0.00 C ATOM 0 H THR A 8 0.064 9.514 -4.040 1.00 0.00 H new ATOM 0 HA THR A 8 1.192 11.541 -5.504 1.00 0.00 H new ATOM 0 HB THR A 8 -0.711 12.091 -6.785 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.882 13.690 -4.403 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.993 12.230 -5.827 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.289 10.616 -5.570 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.350 11.785 -4.229 1.00 0.00 H new ATOM 111 N SER A 9 1.046 11.207 -2.689 1.00 0.00 N ATOM 112 CA SER A 9 1.218 11.660 -1.282 1.00 0.00 C ATOM 113 C SER A 9 1.588 10.463 -0.403 1.00 0.00 C ATOM 114 O SER A 9 0.761 9.629 -0.098 1.00 0.00 O ATOM 115 CB SER A 9 -0.087 12.275 -0.775 1.00 0.00 C ATOM 116 OG SER A 9 0.040 13.691 -0.750 1.00 0.00 O ATOM 0 H SER A 9 1.472 10.307 -2.909 1.00 0.00 H new ATOM 0 HA SER A 9 2.011 12.406 -1.239 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.915 11.984 -1.421 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.315 11.901 0.223 1.00 0.00 H new ATOM 0 HG SER A 9 0.061 14.034 -1.668 1.00 0.00 H new ATOM 122 N ILE A 10 2.827 10.382 0.004 1.00 0.00 N ATOM 123 CA ILE A 10 3.272 9.248 0.871 1.00 0.00 C ATOM 124 C ILE A 10 3.575 8.021 0.004 1.00 0.00 C ATOM 125 O ILE A 10 3.408 8.045 -1.199 1.00 0.00 O ATOM 126 CB ILE A 10 2.176 8.906 1.888 1.00 0.00 C ATOM 127 CG1 ILE A 10 1.561 10.195 2.443 1.00 0.00 C ATOM 128 CG2 ILE A 10 2.778 8.102 3.042 1.00 0.00 C ATOM 129 CD1 ILE A 10 0.036 10.091 2.402 1.00 0.00 C ATOM 0 H ILE A 10 3.556 11.057 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 10 4.175 9.542 1.406 1.00 0.00 H new ATOM 0 HB ILE A 10 1.404 8.317 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.898 10.360 3.467 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.894 11.051 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.997 7.860 3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.213 7.180 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.553 8.692 3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.402 11.008 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.291 9.947 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.287 9.244 3.008 1.00 0.00 H new ATOM 141 N CYS A 11 4.029 6.954 0.609 1.00 0.00 N ATOM 142 CA CYS A 11 4.358 5.719 -0.164 1.00 0.00 C ATOM 143 C CYS A 11 5.657 5.932 -0.939 1.00 0.00 C ATOM 144 O CYS A 11 5.780 6.842 -1.735 1.00 0.00 O ATOM 145 CB CYS A 11 3.228 5.390 -1.142 1.00 0.00 C ATOM 146 SG CYS A 11 1.643 5.406 -0.267 1.00 0.00 S ATOM 0 H CYS A 11 4.187 6.885 1.614 1.00 0.00 H new ATOM 0 HA CYS A 11 4.478 4.888 0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.214 6.117 -1.954 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.396 4.412 -1.592 1.00 0.00 H new ATOM 151 N SER A 12 6.632 5.098 -0.707 1.00 0.00 N ATOM 152 CA SER A 12 7.930 5.241 -1.422 1.00 0.00 C ATOM 153 C SER A 12 8.960 4.316 -0.773 1.00 0.00 C ATOM 154 O SER A 12 9.963 4.758 -0.250 1.00 0.00 O ATOM 155 CB SER A 12 8.409 6.690 -1.324 1.00 0.00 C ATOM 156 OG SER A 12 8.670 7.188 -2.630 1.00 0.00 O ATOM 0 H SER A 12 6.585 4.320 -0.049 1.00 0.00 H new ATOM 0 HA SER A 12 7.805 4.974 -2.471 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.653 7.303 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.310 6.747 -0.714 1.00 0.00 H new ATOM 0 HG SER A 12 8.976 8.117 -2.571 1.00 0.00 H new ATOM 162 N LEU A 13 8.714 3.035 -0.798 1.00 0.00 N ATOM 163 CA LEU A 13 9.672 2.079 -0.176 1.00 0.00 C ATOM 164 C LEU A 13 9.757 2.356 1.326 1.00 0.00 C ATOM 165 O LEU A 13 10.594 3.108 1.783 1.00 0.00 O ATOM 166 CB LEU A 13 11.053 2.253 -0.812 1.00 0.00 C ATOM 167 CG LEU A 13 12.059 1.342 -0.105 1.00 0.00 C ATOM 168 CD1 LEU A 13 12.771 0.468 -1.138 1.00 0.00 C ATOM 169 CD2 LEU A 13 13.089 2.202 0.631 1.00 0.00 C ATOM 0 H LEU A 13 7.890 2.609 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 13 9.329 1.057 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.009 2.010 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.372 3.293 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 13 11.536 0.706 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.487 -0.181 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.038 -0.142 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.296 1.103 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.808 1.557 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.612 2.836 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.582 2.826 1.367 1.00 0.00 H new ATOM 181 N TYR A 14 8.895 1.753 2.098 1.00 0.00 N ATOM 182 CA TYR A 14 8.922 1.978 3.568 1.00 0.00 C ATOM 183 C TYR A 14 7.613 1.473 4.182 1.00 0.00 C ATOM 184 O TYR A 14 7.615 0.711 5.128 1.00 0.00 O ATOM 185 CB TYR A 14 9.079 3.473 3.854 1.00 0.00 C ATOM 186 CG TYR A 14 10.384 3.714 4.573 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.748 2.901 5.655 1.00 0.00 C ATOM 188 CD2 TYR A 14 11.232 4.748 4.156 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.960 3.125 6.322 1.00 0.00 C ATOM 190 CE2 TYR A 14 12.445 4.972 4.823 1.00 0.00 C ATOM 191 CZ TYR A 14 12.809 4.160 5.906 1.00 0.00 C ATOM 192 OH TYR A 14 14.002 4.379 6.563 1.00 0.00 O ATOM 0 H TYR A 14 8.172 1.112 1.771 1.00 0.00 H new ATOM 0 HA TYR A 14 9.762 1.437 4.005 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.056 4.037 2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.246 3.827 4.461 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.095 2.102 5.975 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.952 5.373 3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.240 2.500 7.157 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.098 5.770 4.502 1.00 0.00 H new ATOM 0 HH TYR A 14 14.470 5.133 6.148 1.00 0.00 H new ATOM 202 N GLN A 15 6.496 1.888 3.647 1.00 0.00 N ATOM 203 CA GLN A 15 5.192 1.424 4.198 1.00 0.00 C ATOM 204 C GLN A 15 4.678 0.255 3.363 1.00 0.00 C ATOM 205 O GLN A 15 3.908 -0.562 3.828 1.00 0.00 O ATOM 206 CB GLN A 15 4.177 2.570 4.155 1.00 0.00 C ATOM 207 CG GLN A 15 4.223 3.342 5.474 1.00 0.00 C ATOM 208 CD GLN A 15 3.190 4.470 5.442 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.212 4.394 4.725 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.367 5.521 6.195 1.00 0.00 N ATOM 0 H GLN A 15 6.431 2.527 2.854 1.00 0.00 H new ATOM 0 HA GLN A 15 5.328 1.103 5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.401 3.237 3.323 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.175 2.176 3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.018 2.671 6.308 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.220 3.752 5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.188 5.585 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.684 6.279 6.182 1.00 0.00 H new ATOM 219 N LEU A 16 5.106 0.159 2.137 1.00 0.00 N ATOM 220 CA LEU A 16 4.645 -0.968 1.286 1.00 0.00 C ATOM 221 C LEU A 16 5.275 -2.264 1.801 1.00 0.00 C ATOM 222 O LEU A 16 5.143 -2.594 2.961 1.00 0.00 O ATOM 223 CB LEU A 16 5.040 -0.721 -0.166 1.00 0.00 C ATOM 224 CG LEU A 16 4.235 0.450 -0.763 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.624 -0.001 -2.083 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.098 0.899 0.169 1.00 0.00 C ATOM 0 H LEU A 16 5.752 0.809 1.690 1.00 0.00 H new ATOM 0 HA LEU A 16 3.559 -1.050 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.106 -0.502 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.867 -1.623 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 16 4.915 1.290 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.051 0.818 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.418 -0.293 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.965 -0.851 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.556 1.726 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.415 0.066 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.516 1.223 1.122 1.00 0.00 H new ATOM 238 N GLU A 17 5.951 -3.013 0.963 1.00 0.00 N ATOM 239 CA GLU A 17 6.558 -4.282 1.444 1.00 0.00 C ATOM 240 C GLU A 17 5.509 -5.021 2.267 1.00 0.00 C ATOM 241 O GLU A 17 5.821 -5.800 3.147 1.00 0.00 O ATOM 242 CB GLU A 17 7.778 -3.975 2.318 1.00 0.00 C ATOM 243 CG GLU A 17 9.041 -4.500 1.632 1.00 0.00 C ATOM 244 CD GLU A 17 9.398 -3.591 0.455 1.00 0.00 C ATOM 245 OE1 GLU A 17 9.763 -2.453 0.701 1.00 0.00 O ATOM 246 OE2 GLU A 17 9.301 -4.048 -0.672 1.00 0.00 O ATOM 0 H GLU A 17 6.105 -2.799 -0.022 1.00 0.00 H new ATOM 0 HA GLU A 17 6.880 -4.892 0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.860 -2.901 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.663 -4.439 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.867 -4.533 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.880 -5.520 1.282 1.00 0.00 H new ATOM 253 N ASN A 18 4.261 -4.769 1.985 1.00 0.00 N ATOM 254 CA ASN A 18 3.177 -5.435 2.744 1.00 0.00 C ATOM 255 C ASN A 18 1.817 -4.883 2.306 1.00 0.00 C ATOM 256 O ASN A 18 0.884 -4.823 3.083 1.00 0.00 O ATOM 257 CB ASN A 18 3.379 -5.178 4.239 1.00 0.00 C ATOM 258 CG ASN A 18 3.441 -6.512 4.985 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.482 -7.562 4.374 1.00 0.00 O ATOM 260 ND2 ASN A 18 3.451 -6.515 6.289 1.00 0.00 N ATOM 0 H ASN A 18 3.948 -4.127 1.257 1.00 0.00 H new ATOM 0 HA ASN A 18 3.204 -6.507 2.548 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.299 -4.616 4.401 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.562 -4.570 4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.493 -7.399 6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.417 -5.634 6.801 1.00 0.00 H new ATOM 267 N TYR A 19 1.692 -4.477 1.070 1.00 0.00 N ATOM 268 CA TYR A 19 0.396 -3.931 0.594 1.00 0.00 C ATOM 269 C TYR A 19 -0.674 -5.021 0.670 1.00 0.00 C ATOM 270 O TYR A 19 -1.857 -4.747 0.659 1.00 0.00 O ATOM 271 CB TYR A 19 0.542 -3.455 -0.854 1.00 0.00 C ATOM 272 CG TYR A 19 -0.199 -2.152 -1.032 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.571 -2.081 -0.759 1.00 0.00 C ATOM 274 CD2 TYR A 19 0.487 -1.013 -1.473 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.257 -0.871 -0.925 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.198 0.198 -1.638 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.571 0.269 -1.364 1.00 0.00 C ATOM 278 OH TYR A 19 -2.247 1.462 -1.526 1.00 0.00 O ATOM 0 H TYR A 19 2.435 -4.502 0.372 1.00 0.00 H new ATOM 0 HA TYR A 19 0.103 -3.090 1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.596 -3.323 -1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.147 -4.207 -1.537 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.100 -2.959 -0.420 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.544 -1.068 -1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.315 -0.817 -0.715 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.332 1.076 -1.976 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.623 2.152 -1.835 1.00 0.00 H new ATOM 288 N CYS A 20 -0.265 -6.256 0.746 1.00 0.00 N ATOM 289 CA CYS A 20 -1.254 -7.369 0.820 1.00 0.00 C ATOM 290 C CYS A 20 -0.872 -8.324 1.954 1.00 0.00 C ATOM 291 O CYS A 20 -1.541 -9.307 2.201 1.00 0.00 O ATOM 292 CB CYS A 20 -1.257 -8.133 -0.506 1.00 0.00 C ATOM 293 SG CYS A 20 0.387 -8.829 -0.799 1.00 0.00 S ATOM 0 H CYS A 20 0.713 -6.544 0.760 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.246 -6.959 1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.002 -8.928 -0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.533 -7.466 -1.323 1.00 0.00 H new ATOM 298 N ASN A 21 0.200 -8.044 2.647 1.00 0.00 N ATOM 299 CA ASN A 21 0.620 -8.938 3.762 1.00 0.00 C ATOM 300 C ASN A 21 0.872 -10.347 3.216 1.00 0.00 C ATOM 301 O ASN A 21 1.463 -9.798 2.196 1.00 0.00 O ATOM 302 CB ASN A 21 -0.485 -8.990 4.820 1.00 0.00 C ATOM 303 CG ASN A 21 0.138 -9.221 6.197 1.00 0.00 C ATOM 304 OD1 ASN A 21 1.181 -9.836 6.310 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.458 -8.750 7.258 1.00 0.00 N ATOM 0 H ASN A 21 0.801 -7.236 2.488 1.00 0.00 H new ATOM 0 HA ASN A 21 1.535 -8.553 4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.051 -8.058 4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.188 -9.790 4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.049 -8.898 8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.333 -8.234 7.165 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 11.473 -2.688 -9.873 1.00 0.00 N ATOM 314 CA PHE B 1 11.755 -1.284 -10.290 1.00 0.00 C ATOM 315 C PHE B 1 10.634 -0.367 -9.799 1.00 0.00 C ATOM 316 O PHE B 1 9.614 -0.221 -10.444 1.00 0.00 O ATOM 317 CB PHE B 1 11.835 -1.212 -11.816 1.00 0.00 C ATOM 318 CG PHE B 1 13.279 -1.267 -12.250 1.00 0.00 C ATOM 319 CD1 PHE B 1 14.125 -0.176 -12.010 1.00 0.00 C ATOM 320 CD2 PHE B 1 13.774 -2.409 -12.894 1.00 0.00 C ATOM 321 CE1 PHE B 1 15.466 -0.226 -12.414 1.00 0.00 C ATOM 322 CE2 PHE B 1 15.114 -2.460 -13.298 1.00 0.00 C ATOM 323 CZ PHE B 1 15.960 -1.369 -13.058 1.00 0.00 C ATOM 0 H1 PHE B 1 12.237 -3.310 -10.208 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.416 -2.737 -8.836 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.569 -2.997 -10.284 1.00 0.00 H new ATOM 0 HA PHE B 1 12.703 -0.963 -9.858 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.280 -2.039 -12.259 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.373 -0.291 -12.171 1.00 0.00 H new ATOM 0 HD1 PHE B 1 13.743 0.704 -11.513 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.122 -3.250 -13.079 1.00 0.00 H new ATOM 0 HE1 PHE B 1 16.118 0.615 -12.229 1.00 0.00 H new ATOM 0 HE2 PHE B 1 15.495 -3.340 -13.794 1.00 0.00 H new ATOM 0 HZ PHE B 1 16.993 -1.409 -13.369 1.00 0.00 H new ATOM 333 N VAL B 2 10.811 0.253 -8.665 1.00 0.00 N ATOM 334 CA VAL B 2 9.751 1.161 -8.143 1.00 0.00 C ATOM 335 C VAL B 2 10.131 2.614 -8.437 1.00 0.00 C ATOM 336 O VAL B 2 11.059 3.151 -7.866 1.00 0.00 O ATOM 337 CB VAL B 2 9.608 0.970 -6.631 1.00 0.00 C ATOM 338 CG1 VAL B 2 8.550 1.935 -6.093 1.00 0.00 C ATOM 339 CG2 VAL B 2 9.180 -0.469 -6.336 1.00 0.00 C ATOM 0 H VAL B 2 11.641 0.171 -8.079 1.00 0.00 H new ATOM 0 HA VAL B 2 8.804 0.926 -8.630 1.00 0.00 H new ATOM 0 HB VAL B 2 10.564 1.171 -6.148 1.00 0.00 H new ATOM 0 HG11 VAL B 2 8.448 1.799 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.853 2.961 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL B 2 7.594 1.733 -6.576 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.078 -0.605 -5.259 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.224 -0.671 -6.819 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.933 -1.158 -6.719 1.00 0.00 H new ATOM 349 N ASN B 3 9.417 3.256 -9.320 1.00 0.00 N ATOM 350 CA ASN B 3 9.734 4.674 -9.648 1.00 0.00 C ATOM 351 C ASN B 3 8.439 5.424 -9.970 1.00 0.00 C ATOM 352 O ASN B 3 7.644 4.984 -10.775 1.00 0.00 O ATOM 353 CB ASN B 3 10.667 4.724 -10.860 1.00 0.00 C ATOM 354 CG ASN B 3 11.996 5.364 -10.456 1.00 0.00 C ATOM 355 OD1 ASN B 3 12.393 6.371 -11.010 1.00 0.00 O ATOM 356 ND2 ASN B 3 12.706 4.819 -9.506 1.00 0.00 N ATOM 0 H ASN B 3 8.627 2.859 -9.829 1.00 0.00 H new ATOM 0 HA ASN B 3 10.224 5.142 -8.795 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.837 3.718 -11.243 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.205 5.297 -11.664 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.594 5.238 -9.228 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.373 3.974 -9.041 1.00 0.00 H new ATOM 363 N GLN B 4 8.226 6.552 -9.342 1.00 0.00 N ATOM 364 CA GLN B 4 6.985 7.340 -9.603 1.00 0.00 C ATOM 365 C GLN B 4 5.790 6.392 -9.739 1.00 0.00 C ATOM 366 O GLN B 4 5.119 6.367 -10.752 1.00 0.00 O ATOM 367 CB GLN B 4 7.150 8.144 -10.895 1.00 0.00 C ATOM 368 CG GLN B 4 7.519 7.203 -12.044 1.00 0.00 C ATOM 369 CD GLN B 4 7.516 7.975 -13.366 1.00 0.00 C ATOM 370 OE1 GLN B 4 7.431 7.385 -14.424 1.00 0.00 O ATOM 371 NE2 GLN B 4 7.606 9.277 -13.352 1.00 0.00 N ATOM 0 H GLN B 4 8.861 6.962 -8.657 1.00 0.00 H new ATOM 0 HA GLN B 4 6.811 8.022 -8.771 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.225 8.672 -11.127 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.925 8.900 -10.768 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.503 6.768 -11.868 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.809 6.377 -12.093 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.677 9.774 -12.464 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.605 9.798 -14.229 1.00 0.00 H new ATOM 380 N HIS B 5 5.521 5.611 -8.728 1.00 0.00 N ATOM 381 CA HIS B 5 4.371 4.666 -8.804 1.00 0.00 C ATOM 382 C HIS B 5 3.118 5.336 -8.236 1.00 0.00 C ATOM 383 O HIS B 5 2.660 5.005 -7.160 1.00 0.00 O ATOM 384 CB HIS B 5 4.689 3.409 -7.992 1.00 0.00 C ATOM 385 CG HIS B 5 5.018 3.797 -6.576 1.00 0.00 C ATOM 386 ND1 HIS B 5 6.165 4.499 -6.271 1.00 0.00 N ATOM 387 CD2 HIS B 5 4.350 3.575 -5.404 1.00 0.00 C ATOM 388 CE1 HIS B 5 6.162 4.682 -4.942 1.00 0.00 C ATOM 389 NE2 HIS B 5 5.071 4.134 -4.369 1.00 0.00 N ATOM 0 H HIS B 5 6.047 5.587 -7.854 1.00 0.00 H new ATOM 0 HA HIS B 5 4.196 4.393 -9.845 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.837 2.729 -8.006 1.00 0.00 H new ATOM 0 HB3 HIS B 5 5.529 2.877 -8.439 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.412 3.049 -5.305 1.00 0.00 H new ATOM 0 HE1 HIS B 5 6.936 5.203 -4.399 1.00 0.00 H new ATOM 0 HE2 HIS B 5 4.829 4.133 -3.378 1.00 0.00 H new ATOM 398 N LEU B 6 2.560 6.274 -8.950 1.00 0.00 N ATOM 399 CA LEU B 6 1.337 6.965 -8.454 1.00 0.00 C ATOM 400 C LEU B 6 0.210 6.796 -9.476 1.00 0.00 C ATOM 401 O LEU B 6 0.135 7.507 -10.459 1.00 0.00 O ATOM 402 CB LEU B 6 1.633 8.454 -8.262 1.00 0.00 C ATOM 403 CG LEU B 6 2.703 8.632 -7.180 1.00 0.00 C ATOM 404 CD1 LEU B 6 2.301 7.855 -5.925 1.00 0.00 C ATOM 405 CD2 LEU B 6 4.044 8.102 -7.694 1.00 0.00 C ATOM 0 H LEU B 6 2.899 6.592 -9.858 1.00 0.00 H new ATOM 0 HA LEU B 6 1.034 6.531 -7.501 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.975 8.891 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.723 8.982 -7.977 1.00 0.00 H new ATOM 0 HG LEU B 6 2.796 9.691 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.064 7.984 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.347 8.230 -5.555 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.205 6.797 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.805 8.229 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.948 7.044 -7.938 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.336 8.655 -8.587 1.00 0.00 H new ATOM 417 N CYS B 7 -0.668 5.856 -9.251 1.00 0.00 N ATOM 418 CA CYS B 7 -1.791 5.636 -10.206 1.00 0.00 C ATOM 419 C CYS B 7 -1.237 5.446 -11.620 1.00 0.00 C ATOM 420 O CYS B 7 -0.041 5.441 -11.832 1.00 0.00 O ATOM 421 CB CYS B 7 -2.724 6.847 -10.186 1.00 0.00 C ATOM 422 SG CYS B 7 -3.699 6.835 -8.663 1.00 0.00 S ATOM 0 H CYS B 7 -0.656 5.230 -8.446 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.343 4.744 -9.911 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.144 7.767 -10.251 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.384 6.825 -11.053 1.00 0.00 H new ATOM 427 N GLY B 8 -2.099 5.288 -12.587 1.00 0.00 N ATOM 428 CA GLY B 8 -1.623 5.100 -13.988 1.00 0.00 C ATOM 429 C GLY B 8 -1.124 3.665 -14.168 1.00 0.00 C ATOM 430 O GLY B 8 -0.163 3.416 -14.870 1.00 0.00 O ATOM 0 H GLY B 8 -3.112 5.281 -12.468 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.432 5.306 -14.689 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -0.822 5.805 -14.209 1.00 0.00 H new ATOM 434 N SER B 9 -1.766 2.720 -13.538 1.00 0.00 N ATOM 435 CA SER B 9 -1.324 1.302 -13.671 1.00 0.00 C ATOM 436 C SER B 9 -0.022 1.096 -12.893 1.00 0.00 C ATOM 437 O SER B 9 0.548 0.023 -12.892 1.00 0.00 O ATOM 438 CB SER B 9 -1.093 0.976 -15.147 1.00 0.00 C ATOM 439 OG SER B 9 -1.958 -0.084 -15.534 1.00 0.00 O ATOM 0 H SER B 9 -2.577 2.868 -12.937 1.00 0.00 H new ATOM 0 HA SER B 9 -2.094 0.643 -13.269 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.282 1.857 -15.760 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.054 0.691 -15.310 1.00 0.00 H new ATOM 0 HG SER B 9 -1.814 -0.295 -16.480 1.00 0.00 H new ATOM 445 N HIS B 10 0.454 2.115 -12.227 1.00 0.00 N ATOM 446 CA HIS B 10 1.716 1.969 -11.449 1.00 0.00 C ATOM 447 C HIS B 10 1.423 1.211 -10.155 1.00 0.00 C ATOM 448 O HIS B 10 2.040 0.206 -9.860 1.00 0.00 O ATOM 449 CB HIS B 10 2.275 3.354 -11.116 1.00 0.00 C ATOM 450 CG HIS B 10 3.368 3.700 -12.088 1.00 0.00 C ATOM 451 ND1 HIS B 10 3.180 4.643 -13.077 1.00 0.00 N ATOM 452 CD2 HIS B 10 4.645 3.225 -12.214 1.00 0.00 C ATOM 453 CE1 HIS B 10 4.329 4.714 -13.765 1.00 0.00 C ATOM 454 NE2 HIS B 10 5.255 3.865 -13.273 1.00 0.00 N ATOM 0 H HIS B 10 0.024 3.039 -12.189 1.00 0.00 H new ATOM 0 HA HIS B 10 2.448 1.418 -12.039 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.481 4.100 -11.164 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.662 3.366 -10.097 1.00 0.00 H new ATOM 0 HD2 HIS B 10 5.101 2.473 -11.587 1.00 0.00 H new ATOM 0 HE1 HIS B 10 4.493 5.369 -14.608 1.00 0.00 H new ATOM 0 HE2 HIS B 10 6.207 3.726 -13.613 1.00 0.00 H new ATOM 463 N LEU B 11 0.481 1.680 -9.382 1.00 0.00 N ATOM 464 CA LEU B 11 0.146 0.980 -8.112 1.00 0.00 C ATOM 465 C LEU B 11 -0.177 -0.483 -8.418 1.00 0.00 C ATOM 466 O LEU B 11 0.050 -1.363 -7.612 1.00 0.00 O ATOM 467 CB LEU B 11 -1.071 1.647 -7.467 1.00 0.00 C ATOM 468 CG LEU B 11 -0.924 3.169 -7.533 1.00 0.00 C ATOM 469 CD1 LEU B 11 -1.906 3.816 -6.558 1.00 0.00 C ATOM 470 CD2 LEU B 11 0.505 3.569 -7.150 1.00 0.00 C ATOM 0 H LEU B 11 -0.070 2.516 -9.576 1.00 0.00 H new ATOM 0 HA LEU B 11 0.992 1.035 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.981 1.338 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.166 1.326 -6.430 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.135 3.507 -8.548 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.803 4.900 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.924 3.537 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.692 3.473 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.605 4.653 -7.199 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.718 3.230 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.210 3.109 -7.842 1.00 0.00 H new ATOM 482 N VAL B 12 -0.707 -0.745 -9.581 1.00 0.00 N ATOM 483 CA VAL B 12 -1.048 -2.127 -9.960 1.00 0.00 C ATOM 484 C VAL B 12 0.240 -2.891 -10.283 1.00 0.00 C ATOM 485 O VAL B 12 0.544 -3.907 -9.692 1.00 0.00 O ATOM 486 CB VAL B 12 -1.983 -2.034 -11.177 1.00 0.00 C ATOM 487 CG1 VAL B 12 -1.504 -2.930 -12.314 1.00 0.00 C ATOM 488 CG2 VAL B 12 -3.392 -2.439 -10.761 1.00 0.00 C ATOM 0 H VAL B 12 -0.918 -0.042 -10.290 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.549 -2.666 -9.156 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.980 -1.005 -11.536 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.186 -2.841 -13.159 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.504 -2.624 -12.621 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.479 -3.966 -11.975 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.058 -2.374 -11.621 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.381 -3.463 -10.387 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.746 -1.770 -9.977 1.00 0.00 H new ATOM 498 N GLU B 13 0.990 -2.400 -11.223 1.00 0.00 N ATOM 499 CA GLU B 13 2.258 -3.073 -11.607 1.00 0.00 C ATOM 500 C GLU B 13 3.112 -3.318 -10.367 1.00 0.00 C ATOM 501 O GLU B 13 3.411 -4.441 -10.012 1.00 0.00 O ATOM 502 CB GLU B 13 3.029 -2.186 -12.588 1.00 0.00 C ATOM 503 CG GLU B 13 3.348 -2.982 -13.855 1.00 0.00 C ATOM 504 CD GLU B 13 4.684 -3.706 -13.682 1.00 0.00 C ATOM 505 OE1 GLU B 13 5.606 -3.093 -13.171 1.00 0.00 O ATOM 506 OE2 GLU B 13 4.762 -4.862 -14.063 1.00 0.00 O ATOM 0 H GLU B 13 0.777 -1.552 -11.748 1.00 0.00 H new ATOM 0 HA GLU B 13 2.028 -4.028 -12.079 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.439 -1.305 -12.839 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.951 -1.832 -12.127 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.555 -3.703 -14.053 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.393 -2.314 -14.715 1.00 0.00 H new ATOM 513 N ALA B 14 3.507 -2.272 -9.709 1.00 0.00 N ATOM 514 CA ALA B 14 4.345 -2.422 -8.491 1.00 0.00 C ATOM 515 C ALA B 14 3.696 -3.438 -7.555 1.00 0.00 C ATOM 516 O ALA B 14 4.348 -4.043 -6.727 1.00 0.00 O ATOM 517 CB ALA B 14 4.464 -1.072 -7.781 1.00 0.00 C ATOM 0 H ALA B 14 3.284 -1.310 -9.963 1.00 0.00 H new ATOM 0 HA ALA B 14 5.339 -2.769 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA B 14 5.079 -1.184 -6.888 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.926 -0.348 -8.452 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.472 -0.722 -7.497 1.00 0.00 H new ATOM 523 N LEU B 15 2.416 -3.629 -7.685 1.00 0.00 N ATOM 524 CA LEU B 15 1.715 -4.608 -6.810 1.00 0.00 C ATOM 525 C LEU B 15 1.605 -5.951 -7.535 1.00 0.00 C ATOM 526 O LEU B 15 1.251 -6.956 -6.952 1.00 0.00 O ATOM 527 CB LEU B 15 0.316 -4.091 -6.478 1.00 0.00 C ATOM 528 CG LEU B 15 -0.265 -4.911 -5.324 1.00 0.00 C ATOM 529 CD1 LEU B 15 0.067 -4.232 -3.995 1.00 0.00 C ATOM 530 CD2 LEU B 15 -1.782 -5.006 -5.482 1.00 0.00 C ATOM 0 H LEU B 15 1.822 -3.149 -8.361 1.00 0.00 H new ATOM 0 HA LEU B 15 2.280 -4.737 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.361 -3.037 -6.204 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.329 -4.166 -7.353 1.00 0.00 H new ATOM 0 HG LEU B 15 0.167 -5.912 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.347 -4.817 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU B 15 1.149 -4.163 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.364 -3.231 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.197 -5.590 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.213 -4.005 -5.470 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -2.020 -5.491 -6.429 1.00 0.00 H new ATOM 542 N TYR B 16 1.907 -5.973 -8.804 1.00 0.00 N ATOM 543 CA TYR B 16 1.821 -7.248 -9.571 1.00 0.00 C ATOM 544 C TYR B 16 3.132 -8.024 -9.422 1.00 0.00 C ATOM 545 O TYR B 16 3.313 -9.072 -10.011 1.00 0.00 O ATOM 546 CB TYR B 16 1.577 -6.935 -11.049 1.00 0.00 C ATOM 547 CG TYR B 16 0.104 -6.690 -11.281 1.00 0.00 C ATOM 548 CD1 TYR B 16 -0.711 -6.252 -10.228 1.00 0.00 C ATOM 549 CD2 TYR B 16 -0.448 -6.900 -12.552 1.00 0.00 C ATOM 550 CE1 TYR B 16 -2.077 -6.025 -10.446 1.00 0.00 C ATOM 551 CE2 TYR B 16 -1.814 -6.672 -12.770 1.00 0.00 C ATOM 552 CZ TYR B 16 -2.628 -6.236 -11.717 1.00 0.00 C ATOM 553 OH TYR B 16 -3.973 -6.012 -11.931 1.00 0.00 O ATOM 0 H TYR B 16 2.210 -5.162 -9.344 1.00 0.00 H new ATOM 0 HA TYR B 16 0.999 -7.851 -9.185 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.152 -6.058 -11.345 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.920 -7.764 -11.668 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.286 -6.089 -9.248 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.179 -7.238 -13.364 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.705 -5.688 -9.634 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.239 -6.833 -13.750 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.192 -6.205 -12.867 1.00 0.00 H new ATOM 563 N LEU B 17 4.050 -7.519 -8.644 1.00 0.00 N ATOM 564 CA LEU B 17 5.347 -8.230 -8.463 1.00 0.00 C ATOM 565 C LEU B 17 5.741 -8.212 -6.984 1.00 0.00 C ATOM 566 O LEU B 17 6.809 -8.655 -6.612 1.00 0.00 O ATOM 567 CB LEU B 17 6.430 -7.531 -9.287 1.00 0.00 C ATOM 568 CG LEU B 17 6.909 -8.467 -10.398 1.00 0.00 C ATOM 569 CD1 LEU B 17 7.350 -9.800 -9.789 1.00 0.00 C ATOM 570 CD2 LEU B 17 5.766 -8.713 -11.386 1.00 0.00 C ATOM 0 H LEU B 17 3.958 -6.645 -8.126 1.00 0.00 H new ATOM 0 HA LEU B 17 5.243 -9.262 -8.797 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.037 -6.610 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.266 -7.252 -8.646 1.00 0.00 H new ATOM 0 HG LEU B 17 7.750 -8.010 -10.920 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.691 -10.467 -10.581 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.164 -9.627 -9.085 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.510 -10.257 -9.267 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.107 -9.380 -12.178 1.00 0.00 H new ATOM 0 HD22 LEU B 17 4.925 -9.170 -10.864 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.451 -7.765 -11.821 1.00 0.00 H new ATOM 582 N VAL B 18 4.891 -7.701 -6.135 1.00 0.00 N ATOM 583 CA VAL B 18 5.222 -7.657 -4.686 1.00 0.00 C ATOM 584 C VAL B 18 4.485 -8.778 -3.953 1.00 0.00 C ATOM 585 O VAL B 18 5.065 -9.510 -3.176 1.00 0.00 O ATOM 586 CB VAL B 18 4.794 -6.311 -4.098 1.00 0.00 C ATOM 587 CG1 VAL B 18 3.289 -6.110 -4.294 1.00 0.00 C ATOM 588 CG2 VAL B 18 5.106 -6.303 -2.604 1.00 0.00 C ATOM 0 H VAL B 18 3.982 -7.312 -6.385 1.00 0.00 H new ATOM 0 HA VAL B 18 6.298 -7.785 -4.565 1.00 0.00 H new ATOM 0 HB VAL B 18 5.333 -5.508 -4.602 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.992 -5.150 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.055 -6.127 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.746 -6.910 -3.791 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.805 -5.348 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.560 -7.109 -2.114 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.176 -6.446 -2.455 1.00 0.00 H new ATOM 598 N CYS B 19 3.210 -8.915 -4.188 1.00 0.00 N ATOM 599 CA CYS B 19 2.439 -9.982 -3.496 1.00 0.00 C ATOM 600 C CYS B 19 2.767 -11.338 -4.124 1.00 0.00 C ATOM 601 O CYS B 19 2.589 -12.374 -3.514 1.00 0.00 O ATOM 602 CB CYS B 19 0.941 -9.704 -3.640 1.00 0.00 C ATOM 603 SG CYS B 19 0.074 -10.287 -2.162 1.00 0.00 S ATOM 0 H CYS B 19 2.670 -8.334 -4.829 1.00 0.00 H new ATOM 0 HA CYS B 19 2.707 -9.996 -2.440 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.770 -8.636 -3.777 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.551 -10.206 -4.525 1.00 0.00 H new ATOM 608 N GLY B 20 3.241 -11.340 -5.339 1.00 0.00 N ATOM 609 CA GLY B 20 3.577 -12.631 -6.005 1.00 0.00 C ATOM 610 C GLY B 20 2.305 -13.462 -6.175 1.00 0.00 C ATOM 611 O GLY B 20 2.342 -14.677 -6.184 1.00 0.00 O ATOM 0 H GLY B 20 3.410 -10.505 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.034 -12.443 -6.976 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.307 -13.180 -5.410 1.00 0.00 H new ATOM 615 N GLU B 21 1.178 -12.817 -6.311 1.00 0.00 N ATOM 616 CA GLU B 21 -0.097 -13.569 -6.480 1.00 0.00 C ATOM 617 C GLU B 21 -1.154 -12.645 -7.089 1.00 0.00 C ATOM 618 O GLU B 21 -1.031 -11.436 -7.050 1.00 0.00 O ATOM 619 CB GLU B 21 -0.583 -14.069 -5.117 1.00 0.00 C ATOM 620 CG GLU B 21 -0.523 -15.597 -5.083 1.00 0.00 C ATOM 621 CD GLU B 21 0.469 -16.045 -4.007 1.00 0.00 C ATOM 622 OE1 GLU B 21 1.654 -16.073 -4.297 1.00 0.00 O ATOM 623 OE2 GLU B 21 0.027 -16.353 -2.912 1.00 0.00 O ATOM 0 H GLU B 21 1.086 -11.801 -6.312 1.00 0.00 H new ATOM 0 HA GLU B 21 0.069 -14.421 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.037 -13.652 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.603 -13.730 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -1.512 -16.006 -4.874 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.218 -15.981 -6.056 1.00 0.00 H new ATOM 630 N ARG B 22 -2.193 -13.201 -7.649 1.00 0.00 N ATOM 631 CA ARG B 22 -3.255 -12.351 -8.256 1.00 0.00 C ATOM 632 C ARG B 22 -4.443 -12.260 -7.298 1.00 0.00 C ATOM 633 O ARG B 22 -5.360 -13.057 -7.350 1.00 0.00 O ATOM 634 CB ARG B 22 -3.713 -12.971 -9.577 1.00 0.00 C ATOM 635 CG ARG B 22 -4.868 -12.151 -10.153 1.00 0.00 C ATOM 636 CD ARG B 22 -5.430 -12.858 -11.388 1.00 0.00 C ATOM 637 NE ARG B 22 -4.646 -12.457 -12.590 1.00 0.00 N ATOM 638 CZ ARG B 22 -5.176 -12.554 -13.778 1.00 0.00 C ATOM 639 NH1 ARG B 22 -6.394 -12.137 -13.986 1.00 0.00 N ATOM 640 NH2 ARG B 22 -4.488 -13.071 -14.759 1.00 0.00 N ATOM 0 H ARG B 22 -2.352 -14.207 -7.712 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.859 -11.353 -8.442 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -2.884 -12.998 -10.285 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -4.029 -14.002 -9.417 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.650 -12.028 -9.404 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.522 -11.152 -10.419 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -5.383 -13.939 -11.254 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -6.480 -12.598 -11.522 1.00 0.00 H new ATOM 0 HE ARG B 22 -3.694 -12.106 -12.484 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -6.933 -11.735 -13.219 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -6.807 -12.213 -14.915 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -3.536 -13.399 -14.597 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -4.902 -13.147 -15.688 1.00 0.00 H new ATOM 654 N GLY B 23 -4.435 -11.294 -6.421 1.00 0.00 N ATOM 655 CA GLY B 23 -5.564 -11.152 -5.460 1.00 0.00 C ATOM 656 C GLY B 23 -5.159 -10.201 -4.333 1.00 0.00 C ATOM 657 O GLY B 23 -4.323 -10.517 -3.511 1.00 0.00 O ATOM 0 H GLY B 23 -3.696 -10.597 -6.329 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -6.446 -10.770 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.831 -12.126 -5.050 1.00 0.00 H new ATOM 661 N PHE B 24 -5.745 -9.036 -4.290 1.00 0.00 N ATOM 662 CA PHE B 24 -5.394 -8.064 -3.217 1.00 0.00 C ATOM 663 C PHE B 24 -6.645 -7.282 -2.809 1.00 0.00 C ATOM 664 O PHE B 24 -7.740 -7.572 -3.250 1.00 0.00 O ATOM 665 CB PHE B 24 -4.329 -7.095 -3.733 1.00 0.00 C ATOM 666 CG PHE B 24 -4.552 -6.835 -5.204 1.00 0.00 C ATOM 667 CD1 PHE B 24 -5.743 -6.236 -5.637 1.00 0.00 C ATOM 668 CD2 PHE B 24 -3.568 -7.191 -6.136 1.00 0.00 C ATOM 669 CE1 PHE B 24 -5.951 -5.995 -7.001 1.00 0.00 C ATOM 670 CE2 PHE B 24 -3.777 -6.950 -7.501 1.00 0.00 C ATOM 671 CZ PHE B 24 -4.968 -6.352 -7.933 1.00 0.00 C ATOM 0 H PHE B 24 -6.452 -8.715 -4.952 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.004 -8.602 -2.353 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.374 -6.159 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.335 -7.513 -3.574 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.501 -5.960 -4.919 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.649 -7.651 -5.803 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.869 -5.534 -7.334 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.020 -7.225 -8.220 1.00 0.00 H new ATOM 0 HZ PHE B 24 -5.128 -6.166 -8.985 1.00 0.00 H new ATOM 681 N PHE B 25 -6.494 -6.294 -1.969 1.00 0.00 N ATOM 682 CA PHE B 25 -7.678 -5.498 -1.535 1.00 0.00 C ATOM 683 C PHE B 25 -8.128 -4.585 -2.677 1.00 0.00 C ATOM 684 O PHE B 25 -9.127 -4.830 -3.323 1.00 0.00 O ATOM 685 CB PHE B 25 -7.302 -4.646 -0.320 1.00 0.00 C ATOM 686 CG PHE B 25 -8.352 -4.811 0.752 1.00 0.00 C ATOM 687 CD1 PHE B 25 -8.747 -6.094 1.153 1.00 0.00 C ATOM 688 CD2 PHE B 25 -8.930 -3.682 1.347 1.00 0.00 C ATOM 689 CE1 PHE B 25 -9.721 -6.247 2.149 1.00 0.00 C ATOM 690 CE2 PHE B 25 -9.904 -3.835 2.343 1.00 0.00 C ATOM 691 CZ PHE B 25 -10.299 -5.118 2.744 1.00 0.00 C ATOM 0 H PHE B 25 -5.603 -6.004 -1.565 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.491 -6.174 -1.269 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.326 -4.947 0.062 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.222 -3.598 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.301 -6.965 0.695 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.625 -2.693 1.038 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.026 -7.236 2.458 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.350 -2.964 2.801 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.049 -5.237 3.512 1.00 0.00 H new ATOM 701 N TYR B 26 -7.398 -3.534 -2.932 1.00 0.00 N ATOM 702 CA TYR B 26 -7.784 -2.607 -4.031 1.00 0.00 C ATOM 703 C TYR B 26 -9.283 -2.308 -3.949 1.00 0.00 C ATOM 704 O TYR B 26 -10.030 -2.581 -4.869 1.00 0.00 O ATOM 705 CB TYR B 26 -7.468 -3.257 -5.380 1.00 0.00 C ATOM 706 CG TYR B 26 -6.179 -2.688 -5.924 1.00 0.00 C ATOM 707 CD1 TYR B 26 -5.036 -2.643 -5.115 1.00 0.00 C ATOM 708 CD2 TYR B 26 -6.127 -2.206 -7.239 1.00 0.00 C ATOM 709 CE1 TYR B 26 -3.840 -2.117 -5.620 1.00 0.00 C ATOM 710 CE2 TYR B 26 -4.931 -1.679 -7.744 1.00 0.00 C ATOM 711 CZ TYR B 26 -3.788 -1.634 -6.934 1.00 0.00 C ATOM 712 OH TYR B 26 -2.610 -1.114 -7.432 1.00 0.00 O ATOM 0 H TYR B 26 -6.550 -3.278 -2.426 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.224 -1.677 -3.933 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.380 -4.337 -5.264 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.282 -3.077 -6.082 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.077 -3.014 -4.102 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.008 -2.241 -7.863 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.959 -2.084 -4.997 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.890 -1.308 -8.757 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.851 -1.612 -7.063 1.00 0.00 H new ATOM 722 N THR B 27 -9.729 -1.749 -2.858 1.00 0.00 N ATOM 723 CA THR B 27 -11.179 -1.433 -2.724 1.00 0.00 C ATOM 724 C THR B 27 -11.341 -0.085 -2.007 1.00 0.00 C ATOM 725 O THR B 27 -10.761 0.125 -0.959 1.00 0.00 O ATOM 726 CB THR B 27 -11.864 -2.530 -1.903 1.00 0.00 C ATOM 727 OG1 THR B 27 -10.909 -3.145 -1.050 1.00 0.00 O ATOM 728 CG2 THR B 27 -12.460 -3.578 -2.843 1.00 0.00 C ATOM 0 H THR B 27 -9.153 -1.498 -2.055 1.00 0.00 H new ATOM 0 HA THR B 27 -11.634 -1.379 -3.713 1.00 0.00 H new ATOM 0 HB THR B 27 -12.660 -2.091 -1.302 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.749 -2.572 -0.271 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.947 -4.358 -2.257 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.192 -3.105 -3.497 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.666 -4.019 -3.446 1.00 0.00 H new ATOM 736 N PRO B 28 -12.122 0.791 -2.590 1.00 0.00 N ATOM 737 CA PRO B 28 -12.373 2.128 -2.022 1.00 0.00 C ATOM 738 C PRO B 28 -13.398 2.043 -0.888 1.00 0.00 C ATOM 739 O PRO B 28 -13.787 0.972 -0.468 1.00 0.00 O ATOM 740 CB PRO B 28 -12.936 2.920 -3.205 1.00 0.00 C ATOM 741 CG PRO B 28 -13.505 1.879 -4.197 1.00 0.00 C ATOM 742 CD PRO B 28 -12.826 0.537 -3.865 1.00 0.00 C ATOM 0 HA PRO B 28 -11.482 2.586 -1.593 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -13.714 3.609 -2.876 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -12.158 3.520 -3.676 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -14.588 1.800 -4.097 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -13.300 2.173 -5.227 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -13.557 -0.265 -3.763 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -12.132 0.237 -4.650 1.00 0.00 H new ATOM 750 N LYS B 29 -13.840 3.166 -0.390 1.00 0.00 N ATOM 751 CA LYS B 29 -14.840 3.150 0.715 1.00 0.00 C ATOM 752 C LYS B 29 -16.250 3.226 0.125 1.00 0.00 C ATOM 753 O LYS B 29 -16.433 3.580 -1.023 1.00 0.00 O ATOM 754 CB LYS B 29 -14.607 4.352 1.633 1.00 0.00 C ATOM 755 CG LYS B 29 -13.623 3.967 2.739 1.00 0.00 C ATOM 756 CD LYS B 29 -13.981 4.715 4.025 1.00 0.00 C ATOM 757 CE LYS B 29 -13.347 6.106 3.996 1.00 0.00 C ATOM 758 NZ LYS B 29 -14.053 6.996 4.960 1.00 0.00 N ATOM 0 H LYS B 29 -13.552 4.094 -0.701 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.733 2.229 1.289 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.214 5.191 1.058 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -15.551 4.678 2.069 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -13.655 2.891 2.911 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.605 4.211 2.435 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.064 4.799 4.121 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -13.626 4.159 4.893 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.290 6.040 4.253 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.405 6.523 2.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.621 7.942 4.940 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.056 7.068 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.975 6.601 5.919 1.00 0.00 H new ATOM 772 N THR B 30 -17.246 2.895 0.900 1.00 0.00 N ATOM 773 CA THR B 30 -18.641 2.949 0.381 1.00 0.00 C ATOM 774 C THR B 30 -19.330 4.213 0.900 1.00 0.00 C ATOM 775 O THR B 30 -19.433 4.377 2.137 1.00 0.00 O ATOM 776 CB THR B 30 -19.411 1.714 0.859 1.00 0.00 C ATOM 777 OG1 THR B 30 -18.687 1.084 1.907 1.00 0.00 O ATOM 778 CG2 THR B 30 -19.586 0.737 -0.303 1.00 0.00 C ATOM 779 OXT THR B 30 -19.759 5.035 0.062 1.00 0.00 O ATOM 0 H THR B 30 -17.154 2.590 1.869 1.00 0.00 H new ATOM 0 HA THR B 30 -18.623 2.967 -0.709 1.00 0.00 H new ATOM 0 HB THR B 30 -20.392 2.016 1.225 1.00 0.00 H new ATOM 0 HG1 THR B 30 -19.179 0.294 2.216 1.00 0.00 H new ATOM 0 HG21 THR B 30 -20.134 -0.141 0.039 1.00 0.00 H new ATOM 0 HG22 THR B 30 -20.142 1.222 -1.105 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.607 0.432 -0.673 1.00 0.00 H new TER 787 THR B 30