USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 370 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 1 GLY N :NH3+ -159:sc= 1.27 (180deg=0.988) USER MOD Set 1.2: A 19 TYR OH : rot 93:sc= 1.1 USER MOD Set 1.3: B 27 THR OG1 : rot 180:sc= 1.08 USER MOD Set 2.1: A 12 SER OG : rot -137:sc= 1.39 USER MOD Set 2.2: A 14 TYR OH : rot 180:sc= 0.0359 USER MOD Single : A 5 GLN : amide:sc= -0.0548 K(o=-0.055,f=-2.7!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.0357 K(o=0.036,f=-1.6) USER MOD Single : A 18 ASN : amide:sc= 0.687 K(o=0.69,f=-0.03) USER MOD Single : A 21 ASN : amide:sc= -0.913 X(o=-0.91,f=-0.58) USER MOD Single : B 1 PHE N :NH3+ 147:sc= 1.2 (180deg=0.631) USER MOD Single : B 3 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.8!) USER MOD Single : B 4 GLN : amide:sc= 0.0573 K(o=0.057,f=-1.7) USER MOD Single : B 5 HIS : no HD1:sc= 0.326 K(o=0.33,f=-2.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.111 K(o=-0.11,f=-0.68) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 30:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -163:sc= 1.58 (180deg=0.588) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.568 27.584 -10.718 1.00 0.00 N ATOM 2 CA GLY A 1 -23.578 26.763 -10.027 1.00 0.00 C ATOM 3 C GLY A 1 -23.788 25.488 -10.806 1.00 0.00 C ATOM 4 O GLY A 1 -24.137 25.602 -11.964 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.156 28.265 -10.048 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.817 26.969 -11.092 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.017 28.099 -11.502 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.249 26.535 -9.013 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.516 27.312 -9.942 1.00 0.00 H new ATOM 10 N ILE A 2 -23.549 24.315 -10.215 1.00 0.00 N ATOM 11 CA ILE A 2 -23.509 23.012 -10.921 1.00 0.00 C ATOM 12 C ILE A 2 -24.885 22.384 -11.249 1.00 0.00 C ATOM 13 O ILE A 2 -24.952 21.381 -11.953 1.00 0.00 O ATOM 14 CB ILE A 2 -22.604 22.061 -10.094 1.00 0.00 C ATOM 15 CG1 ILE A 2 -22.198 20.780 -10.857 1.00 0.00 C ATOM 16 CG2 ILE A 2 -23.247 21.700 -8.742 1.00 0.00 C ATOM 17 CD1 ILE A 2 -20.930 20.115 -10.298 1.00 0.00 C ATOM 0 H ILE A 2 -23.373 24.232 -9.214 1.00 0.00 H new ATOM 0 HA ILE A 2 -23.095 23.186 -11.914 1.00 0.00 H new ATOM 0 HB ILE A 2 -21.687 22.621 -9.909 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -23.021 20.066 -10.819 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -22.038 21.026 -11.907 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -22.585 21.033 -8.191 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -23.411 22.609 -8.163 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -24.201 21.203 -8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -20.701 19.222 -10.879 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -20.095 20.813 -10.361 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -21.093 19.838 -9.256 1.00 0.00 H new ATOM 29 N VAL A 3 -25.990 22.947 -10.747 1.00 0.00 N ATOM 30 CA VAL A 3 -27.290 22.247 -10.662 1.00 0.00 C ATOM 31 C VAL A 3 -27.927 21.853 -12.008 1.00 0.00 C ATOM 32 O VAL A 3 -28.729 20.924 -12.045 1.00 0.00 O ATOM 33 CB VAL A 3 -28.243 23.045 -9.750 1.00 0.00 C ATOM 34 CG1 VAL A 3 -28.731 24.349 -10.391 1.00 0.00 C ATOM 35 CG2 VAL A 3 -29.451 22.221 -9.304 1.00 0.00 C ATOM 0 H VAL A 3 -26.015 23.901 -10.386 1.00 0.00 H new ATOM 0 HA VAL A 3 -27.088 21.275 -10.213 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.645 23.296 -8.874 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -29.398 24.866 -9.701 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -27.876 24.987 -10.615 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -29.267 24.123 -11.313 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -30.090 22.829 -8.664 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -30.015 21.899 -10.179 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -29.110 21.346 -8.750 1.00 0.00 H new ATOM 45 N GLU A 4 -27.525 22.449 -13.133 1.00 0.00 N ATOM 46 CA GLU A 4 -27.923 21.978 -14.475 1.00 0.00 C ATOM 47 C GLU A 4 -27.491 20.519 -14.755 1.00 0.00 C ATOM 48 O GLU A 4 -28.218 19.760 -15.398 1.00 0.00 O ATOM 49 CB GLU A 4 -27.363 22.947 -15.530 1.00 0.00 C ATOM 50 CG GLU A 4 -25.828 22.890 -15.662 1.00 0.00 C ATOM 51 CD GLU A 4 -25.190 24.161 -16.241 1.00 0.00 C ATOM 52 OE1 GLU A 4 -25.928 25.048 -16.724 1.00 0.00 O ATOM 53 OE2 GLU A 4 -23.946 24.237 -16.147 1.00 0.00 O ATOM 0 H GLU A 4 -26.917 23.268 -13.147 1.00 0.00 H new ATOM 0 HA GLU A 4 -29.012 21.971 -14.525 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -27.812 22.719 -16.497 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -27.660 23.964 -15.273 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -25.398 22.699 -14.679 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -25.562 22.044 -16.296 1.00 0.00 H new ATOM 60 N GLN A 5 -26.367 20.079 -14.177 1.00 0.00 N ATOM 61 CA GLN A 5 -25.863 18.699 -14.250 1.00 0.00 C ATOM 62 C GLN A 5 -26.669 17.697 -13.401 1.00 0.00 C ATOM 63 O GLN A 5 -26.383 16.497 -13.428 1.00 0.00 O ATOM 64 CB GLN A 5 -24.375 18.664 -13.861 1.00 0.00 C ATOM 65 CG GLN A 5 -23.445 19.486 -14.771 1.00 0.00 C ATOM 66 CD GLN A 5 -23.132 18.778 -16.088 1.00 0.00 C ATOM 67 OE1 GLN A 5 -23.960 18.142 -16.716 1.00 0.00 O ATOM 68 NE2 GLN A 5 -21.899 18.814 -16.545 1.00 0.00 N ATOM 0 H GLN A 5 -25.763 20.691 -13.628 1.00 0.00 H new ATOM 0 HA GLN A 5 -25.986 18.378 -15.284 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -24.274 19.029 -12.839 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.038 17.627 -13.864 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -23.909 20.449 -14.983 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -22.514 19.690 -14.243 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -21.184 19.338 -16.041 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.658 18.318 -17.403 1.00 0.00 H new ATOM 77 N CYS A 6 -27.683 18.163 -12.664 1.00 0.00 N ATOM 78 CA CYS A 6 -28.740 17.328 -12.094 1.00 0.00 C ATOM 79 C CYS A 6 -30.018 17.296 -12.944 1.00 0.00 C ATOM 80 O CYS A 6 -30.809 16.370 -12.790 1.00 0.00 O ATOM 81 CB CYS A 6 -29.078 17.819 -10.687 1.00 0.00 C ATOM 82 SG CYS A 6 -27.852 17.512 -9.392 1.00 0.00 S ATOM 0 H CYS A 6 -27.792 19.153 -12.444 1.00 0.00 H new ATOM 0 HA CYS A 6 -28.353 16.309 -12.068 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -29.256 18.893 -10.737 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -30.016 17.354 -10.382 1.00 0.00 H new ATOM 87 N CYS A 7 -30.229 18.287 -13.810 1.00 0.00 N ATOM 88 CA CYS A 7 -31.424 18.430 -14.646 1.00 0.00 C ATOM 89 C CYS A 7 -31.280 17.739 -16.017 1.00 0.00 C ATOM 90 O CYS A 7 -32.265 17.524 -16.724 1.00 0.00 O ATOM 91 CB CYS A 7 -31.724 19.927 -14.754 1.00 0.00 C ATOM 92 SG CYS A 7 -31.808 20.736 -13.124 1.00 0.00 S ATOM 0 H CYS A 7 -29.553 19.037 -13.955 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.269 17.918 -14.185 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -30.952 20.407 -15.356 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -32.670 20.069 -15.276 1.00 0.00 H new ATOM 97 N ALA A 8 -30.050 17.358 -16.376 1.00 0.00 N ATOM 98 CA ALA A 8 -29.745 16.298 -17.333 1.00 0.00 C ATOM 99 C ALA A 8 -30.000 14.895 -16.714 1.00 0.00 C ATOM 100 O ALA A 8 -30.930 14.701 -15.930 1.00 0.00 O ATOM 101 CB ALA A 8 -28.295 16.521 -17.802 1.00 0.00 C ATOM 0 H ALA A 8 -29.213 17.797 -15.993 1.00 0.00 H new ATOM 0 HA ALA A 8 -30.404 16.335 -18.201 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -28.022 15.749 -18.521 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -28.211 17.501 -18.272 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -27.624 16.471 -16.945 1.00 0.00 H new ATOM 107 N SER A 9 -29.196 13.886 -17.072 1.00 0.00 N ATOM 108 CA SER A 9 -29.272 12.522 -16.521 1.00 0.00 C ATOM 109 C SER A 9 -29.061 12.521 -14.994 1.00 0.00 C ATOM 110 O SER A 9 -27.934 12.650 -14.520 1.00 0.00 O ATOM 111 CB SER A 9 -28.226 11.630 -17.205 1.00 0.00 C ATOM 112 OG SER A 9 -28.371 11.669 -18.616 1.00 0.00 O ATOM 0 H SER A 9 -28.458 13.995 -17.767 1.00 0.00 H new ATOM 0 HA SER A 9 -30.269 12.127 -16.717 1.00 0.00 H new ATOM 0 HB2 SER A 9 -27.225 11.960 -16.929 1.00 0.00 H new ATOM 0 HB3 SER A 9 -28.331 10.604 -16.853 1.00 0.00 H new ATOM 0 HG SER A 9 -27.693 11.095 -19.030 1.00 0.00 H new ATOM 118 N VAL A 10 -30.159 12.402 -14.235 1.00 0.00 N ATOM 119 CA VAL A 10 -30.273 12.903 -12.851 1.00 0.00 C ATOM 120 C VAL A 10 -29.128 12.472 -11.919 1.00 0.00 C ATOM 121 O VAL A 10 -29.032 11.307 -11.521 1.00 0.00 O ATOM 122 CB VAL A 10 -31.643 12.568 -12.213 1.00 0.00 C ATOM 123 CG1 VAL A 10 -31.902 13.508 -11.028 1.00 0.00 C ATOM 124 CG2 VAL A 10 -32.825 12.678 -13.186 1.00 0.00 C ATOM 0 H VAL A 10 -31.009 11.948 -14.568 1.00 0.00 H new ATOM 0 HA VAL A 10 -30.191 13.985 -12.955 1.00 0.00 H new ATOM 0 HB VAL A 10 -31.581 11.527 -11.896 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -32.867 13.271 -10.580 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -31.115 13.381 -10.284 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -31.908 14.541 -11.377 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -33.749 12.428 -12.665 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -32.888 13.697 -13.568 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -32.678 11.987 -14.016 1.00 0.00 H new ATOM 134 N CYS A 11 -28.333 13.471 -11.519 1.00 0.00 N ATOM 135 CA CYS A 11 -27.035 13.429 -10.829 1.00 0.00 C ATOM 136 C CYS A 11 -26.882 12.475 -9.628 1.00 0.00 C ATOM 137 O CYS A 11 -27.855 11.992 -9.049 1.00 0.00 O ATOM 138 CB CYS A 11 -26.744 14.852 -10.329 1.00 0.00 C ATOM 139 SG CYS A 11 -27.940 15.497 -9.121 1.00 0.00 S ATOM 0 H CYS A 11 -28.614 14.437 -11.689 1.00 0.00 H new ATOM 0 HA CYS A 11 -26.341 13.036 -11.572 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -25.751 14.868 -9.880 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -26.717 15.524 -11.186 1.00 0.00 H new ATOM 144 N SER A 12 -25.627 12.274 -9.210 1.00 0.00 N ATOM 145 CA SER A 12 -25.260 11.709 -7.904 1.00 0.00 C ATOM 146 C SER A 12 -24.662 12.785 -6.979 1.00 0.00 C ATOM 147 O SER A 12 -24.298 13.876 -7.428 1.00 0.00 O ATOM 148 CB SER A 12 -24.336 10.499 -8.080 1.00 0.00 C ATOM 149 OG SER A 12 -24.189 9.832 -6.842 1.00 0.00 O ATOM 0 H SER A 12 -24.817 12.505 -9.785 1.00 0.00 H new ATOM 0 HA SER A 12 -26.165 11.351 -7.413 1.00 0.00 H new ATOM 0 HB2 SER A 12 -24.749 9.818 -8.825 1.00 0.00 H new ATOM 0 HB3 SER A 12 -23.362 10.822 -8.449 1.00 0.00 H new ATOM 0 HG SER A 12 -23.250 9.582 -6.714 1.00 0.00 H new ATOM 155 N LEU A 13 -24.586 12.472 -5.683 1.00 0.00 N ATOM 156 CA LEU A 13 -24.382 13.405 -4.562 1.00 0.00 C ATOM 157 C LEU A 13 -23.084 14.229 -4.622 1.00 0.00 C ATOM 158 O LEU A 13 -23.061 15.350 -4.123 1.00 0.00 O ATOM 159 CB LEU A 13 -24.429 12.612 -3.243 1.00 0.00 C ATOM 160 CG LEU A 13 -25.690 11.756 -3.026 1.00 0.00 C ATOM 161 CD1 LEU A 13 -25.578 10.993 -1.709 1.00 0.00 C ATOM 162 CD2 LEU A 13 -26.980 12.578 -2.998 1.00 0.00 C ATOM 0 H LEU A 13 -24.669 11.506 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 13 -25.187 14.137 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -23.557 11.959 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -24.342 13.315 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 13 -25.747 11.075 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -26.473 10.389 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -24.703 10.344 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -25.478 11.701 -0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -27.831 11.915 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -26.932 13.303 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -27.098 13.102 -3.946 1.00 0.00 H new ATOM 174 N TYR A 14 -22.057 13.731 -5.309 1.00 0.00 N ATOM 175 CA TYR A 14 -20.726 14.344 -5.377 1.00 0.00 C ATOM 176 C TYR A 14 -20.755 15.782 -5.926 1.00 0.00 C ATOM 177 O TYR A 14 -19.974 16.625 -5.495 1.00 0.00 O ATOM 178 CB TYR A 14 -19.773 13.455 -6.205 1.00 0.00 C ATOM 179 CG TYR A 14 -20.171 11.990 -6.334 1.00 0.00 C ATOM 180 CD1 TYR A 14 -20.358 11.202 -5.180 1.00 0.00 C ATOM 181 CD2 TYR A 14 -20.430 11.440 -7.607 1.00 0.00 C ATOM 182 CE1 TYR A 14 -20.838 9.883 -5.292 1.00 0.00 C ATOM 183 CE2 TYR A 14 -20.896 10.117 -7.726 1.00 0.00 C ATOM 184 CZ TYR A 14 -21.115 9.345 -6.566 1.00 0.00 C ATOM 185 OH TYR A 14 -21.658 8.106 -6.679 1.00 0.00 O ATOM 0 H TYR A 14 -22.127 12.868 -5.848 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.353 14.416 -4.355 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -19.691 13.878 -7.206 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -18.781 13.503 -5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -20.132 11.612 -4.206 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -20.270 12.036 -8.493 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -20.993 9.286 -4.406 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.085 9.695 -8.702 1.00 0.00 H new ATOM 0 HH TYR A 14 -21.785 7.890 -7.626 1.00 0.00 H new ATOM 195 N GLN A 15 -21.694 16.094 -6.831 1.00 0.00 N ATOM 196 CA GLN A 15 -21.928 17.460 -7.326 1.00 0.00 C ATOM 197 C GLN A 15 -22.384 18.424 -6.218 1.00 0.00 C ATOM 198 O GLN A 15 -22.100 19.618 -6.268 1.00 0.00 O ATOM 199 CB GLN A 15 -23.027 17.437 -8.400 1.00 0.00 C ATOM 200 CG GLN A 15 -22.688 16.629 -9.664 1.00 0.00 C ATOM 201 CD GLN A 15 -23.818 16.680 -10.690 1.00 0.00 C ATOM 202 OE1 GLN A 15 -24.831 17.335 -10.529 1.00 0.00 O ATOM 203 NE2 GLN A 15 -23.730 15.957 -11.787 1.00 0.00 N ATOM 0 H GLN A 15 -22.318 15.400 -7.244 1.00 0.00 H new ATOM 0 HA GLN A 15 -20.977 17.813 -7.725 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -23.936 17.028 -7.959 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -23.249 18.463 -8.692 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -21.774 17.020 -10.111 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -22.492 15.592 -9.391 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -22.898 15.393 -11.961 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -24.494 15.961 -12.463 1.00 0.00 H new ATOM 212 N LEU A 16 -23.120 17.906 -5.237 1.00 0.00 N ATOM 213 CA LEU A 16 -23.682 18.653 -4.119 1.00 0.00 C ATOM 214 C LEU A 16 -22.631 18.799 -3.004 1.00 0.00 C ATOM 215 O LEU A 16 -22.453 19.895 -2.472 1.00 0.00 O ATOM 216 CB LEU A 16 -24.980 17.948 -3.660 1.00 0.00 C ATOM 217 CG LEU A 16 -25.951 17.518 -4.787 1.00 0.00 C ATOM 218 CD1 LEU A 16 -27.214 16.910 -4.182 1.00 0.00 C ATOM 219 CD2 LEU A 16 -26.398 18.639 -5.733 1.00 0.00 C ATOM 0 H LEU A 16 -23.349 16.913 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 16 -23.948 19.668 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -24.706 17.063 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.513 18.615 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.377 16.805 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.892 16.610 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.948 16.038 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -27.705 17.648 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.075 18.233 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -26.911 19.413 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.526 19.069 -6.225 1.00 0.00 H new ATOM 231 N GLU A 17 -21.853 17.743 -2.735 1.00 0.00 N ATOM 232 CA GLU A 17 -20.691 17.765 -1.825 1.00 0.00 C ATOM 233 C GLU A 17 -19.674 18.857 -2.242 1.00 0.00 C ATOM 234 O GLU A 17 -19.159 19.613 -1.414 1.00 0.00 O ATOM 235 CB GLU A 17 -20.022 16.368 -1.811 1.00 0.00 C ATOM 236 CG GLU A 17 -20.936 15.217 -1.325 1.00 0.00 C ATOM 237 CD GLU A 17 -20.429 13.808 -1.702 1.00 0.00 C ATOM 238 OE1 GLU A 17 -21.208 13.043 -2.325 1.00 0.00 O ATOM 239 OE2 GLU A 17 -19.260 13.495 -1.384 1.00 0.00 O ATOM 0 H GLU A 17 -22.014 16.826 -3.152 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.036 18.008 -0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.674 16.137 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.141 16.409 -1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.034 15.278 -0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -21.933 15.357 -1.744 1.00 0.00 H new ATOM 246 N ASN A 18 -19.484 19.026 -3.558 1.00 0.00 N ATOM 247 CA ASN A 18 -18.637 20.043 -4.199 1.00 0.00 C ATOM 248 C ASN A 18 -19.064 21.513 -3.914 1.00 0.00 C ATOM 249 O ASN A 18 -18.368 22.418 -4.375 1.00 0.00 O ATOM 250 CB ASN A 18 -18.628 19.711 -5.718 1.00 0.00 C ATOM 251 CG ASN A 18 -17.483 20.225 -6.595 1.00 0.00 C ATOM 252 OD1 ASN A 18 -17.256 19.720 -7.683 1.00 0.00 O ATOM 253 ND2 ASN A 18 -16.712 21.218 -6.212 1.00 0.00 N ATOM 0 H ASN A 18 -19.942 18.424 -4.242 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.634 19.997 -3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.652 18.626 -5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -19.559 20.090 -6.141 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -15.957 21.540 -6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -16.869 21.667 -5.310 1.00 0.00 H new ATOM 260 N TYR A 19 -20.190 21.791 -3.235 1.00 0.00 N ATOM 261 CA TYR A 19 -20.789 23.141 -3.128 1.00 0.00 C ATOM 262 C TYR A 19 -21.076 23.668 -1.698 1.00 0.00 C ATOM 263 O TYR A 19 -21.614 24.775 -1.570 1.00 0.00 O ATOM 264 CB TYR A 19 -22.030 23.209 -4.049 1.00 0.00 C ATOM 265 CG TYR A 19 -21.779 23.924 -5.370 1.00 0.00 C ATOM 266 CD1 TYR A 19 -22.462 25.118 -5.672 1.00 0.00 C ATOM 267 CD2 TYR A 19 -20.829 23.423 -6.280 1.00 0.00 C ATOM 268 CE1 TYR A 19 -22.166 25.826 -6.853 1.00 0.00 C ATOM 269 CE2 TYR A 19 -20.516 24.130 -7.455 1.00 0.00 C ATOM 270 CZ TYR A 19 -21.176 25.341 -7.734 1.00 0.00 C ATOM 271 OH TYR A 19 -20.866 26.052 -8.847 1.00 0.00 O ATOM 0 H TYR A 19 -20.721 21.077 -2.736 1.00 0.00 H new ATOM 0 HA TYR A 19 -20.020 23.837 -3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.373 22.195 -4.255 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -22.836 23.717 -3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -23.216 25.492 -4.995 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -20.335 22.485 -6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.696 26.738 -7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.774 23.746 -8.139 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.115 26.652 -8.654 1.00 0.00 H new ATOM 281 N CYS A 20 -20.724 22.925 -0.642 1.00 0.00 N ATOM 282 CA CYS A 20 -20.872 23.338 0.768 1.00 0.00 C ATOM 283 C CYS A 20 -19.693 24.205 1.307 1.00 0.00 C ATOM 284 O CYS A 20 -18.741 24.512 0.583 1.00 0.00 O ATOM 285 CB CYS A 20 -21.119 22.069 1.610 1.00 0.00 C ATOM 286 SG CYS A 20 -21.897 22.368 3.228 1.00 0.00 S ATOM 0 H CYS A 20 -20.317 21.995 -0.742 1.00 0.00 H new ATOM 0 HA CYS A 20 -21.727 24.009 0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -21.750 21.388 1.039 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -20.166 21.564 1.768 1.00 0.00 H new ATOM 291 N ASN A 21 -19.740 24.599 2.588 1.00 0.00 N ATOM 292 CA ASN A 21 -18.610 25.134 3.373 1.00 0.00 C ATOM 293 C ASN A 21 -18.444 24.365 4.691 1.00 0.00 C ATOM 294 O ASN A 21 -17.309 23.962 5.013 1.00 0.00 O ATOM 295 CB ASN A 21 -18.792 26.659 3.614 1.00 0.00 C ATOM 296 CG ASN A 21 -18.340 27.600 2.506 1.00 0.00 C ATOM 297 OD1 ASN A 21 -18.535 28.804 2.560 1.00 0.00 O ATOM 298 ND2 ASN A 21 -17.728 27.113 1.456 1.00 0.00 N ATOM 299 OXT ASN A 21 -19.451 24.150 5.398 1.00 0.00 O ATOM 0 H ASN A 21 -20.602 24.553 3.131 1.00 0.00 H new ATOM 0 HA ASN A 21 -17.692 24.995 2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -19.849 26.846 3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.251 26.924 4.523 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -17.426 27.736 0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.553 26.110 1.387 1.00 0.00 H new ATOM 307 N PHE B 1 -30.319 10.743 -9.028 1.00 0.00 N ATOM 308 CA PHE B 1 -30.410 10.542 -7.566 1.00 0.00 C ATOM 309 C PHE B 1 -31.873 10.440 -7.172 1.00 0.00 C ATOM 310 O PHE B 1 -32.395 9.334 -7.202 1.00 0.00 O ATOM 311 CB PHE B 1 -29.627 11.585 -6.742 1.00 0.00 C ATOM 312 CG PHE B 1 -29.964 11.632 -5.265 1.00 0.00 C ATOM 313 CD1 PHE B 1 -29.954 10.450 -4.499 1.00 0.00 C ATOM 314 CD2 PHE B 1 -30.309 12.857 -4.658 1.00 0.00 C ATOM 315 CE1 PHE B 1 -30.302 10.490 -3.138 1.00 0.00 C ATOM 316 CE2 PHE B 1 -30.649 12.894 -3.294 1.00 0.00 C ATOM 317 CZ PHE B 1 -30.648 11.711 -2.536 1.00 0.00 C ATOM 0 H1 PHE B 1 -29.495 11.339 -9.246 1.00 0.00 H new ATOM 0 H2 PHE B 1 -30.214 9.822 -9.499 1.00 0.00 H new ATOM 0 H3 PHE B 1 -31.184 11.210 -9.369 1.00 0.00 H new ATOM 0 HA PHE B 1 -29.913 9.604 -7.320 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -28.561 11.381 -6.848 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -29.807 12.571 -7.170 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -29.679 9.512 -4.958 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -30.312 13.767 -5.240 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -30.303 9.581 -2.554 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -30.911 13.833 -2.829 1.00 0.00 H new ATOM 0 HZ PHE B 1 -30.913 11.740 -1.490 1.00 0.00 H new ATOM 329 N VAL B 2 -32.540 11.570 -6.901 1.00 0.00 N ATOM 330 CA VAL B 2 -34.004 11.650 -6.897 1.00 0.00 C ATOM 331 C VAL B 2 -34.548 11.301 -8.295 1.00 0.00 C ATOM 332 O VAL B 2 -33.798 11.282 -9.276 1.00 0.00 O ATOM 333 CB VAL B 2 -34.447 13.028 -6.355 1.00 0.00 C ATOM 334 CG1 VAL B 2 -34.190 14.180 -7.336 1.00 0.00 C ATOM 335 CG2 VAL B 2 -35.909 13.026 -5.902 1.00 0.00 C ATOM 0 H VAL B 2 -32.079 12.452 -6.679 1.00 0.00 H new ATOM 0 HA VAL B 2 -34.437 10.913 -6.221 1.00 0.00 H new ATOM 0 HB VAL B 2 -33.817 13.207 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -34.524 15.118 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -33.124 14.242 -7.554 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -34.739 14.000 -8.260 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -36.176 14.015 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -36.551 12.771 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -36.043 12.291 -5.109 1.00 0.00 H new ATOM 345 N ASN B 3 -35.824 10.933 -8.365 1.00 0.00 N ATOM 346 CA ASN B 3 -36.420 10.199 -9.480 1.00 0.00 C ATOM 347 C ASN B 3 -36.759 11.039 -10.726 1.00 0.00 C ATOM 348 O ASN B 3 -37.156 10.449 -11.729 1.00 0.00 O ATOM 349 CB ASN B 3 -37.671 9.455 -8.968 1.00 0.00 C ATOM 350 CG ASN B 3 -37.408 8.618 -7.728 1.00 0.00 C ATOM 351 OD1 ASN B 3 -37.135 9.132 -6.657 1.00 0.00 O ATOM 352 ND2 ASN B 3 -37.468 7.310 -7.824 1.00 0.00 N ATOM 0 H ASN B 3 -36.494 11.143 -7.625 1.00 0.00 H new ATOM 0 HA ASN B 3 -35.655 9.506 -9.830 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -38.453 10.182 -8.748 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -38.050 8.809 -9.760 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -37.287 6.730 -7.005 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -37.696 6.874 -8.718 1.00 0.00 H new ATOM 359 N GLN B 4 -36.651 12.373 -10.681 1.00 0.00 N ATOM 360 CA GLN B 4 -37.110 13.257 -11.761 1.00 0.00 C ATOM 361 C GLN B 4 -36.040 14.243 -12.254 1.00 0.00 C ATOM 362 O GLN B 4 -35.297 14.822 -11.466 1.00 0.00 O ATOM 363 CB GLN B 4 -38.422 13.962 -11.341 1.00 0.00 C ATOM 364 CG GLN B 4 -38.287 15.322 -10.622 1.00 0.00 C ATOM 365 CD GLN B 4 -37.463 15.326 -9.339 1.00 0.00 C ATOM 366 OE1 GLN B 4 -37.382 14.347 -8.616 1.00 0.00 O ATOM 367 NE2 GLN B 4 -36.823 16.426 -8.999 1.00 0.00 N ATOM 0 H GLN B 4 -36.241 12.872 -9.891 1.00 0.00 H new ATOM 0 HA GLN B 4 -37.314 12.630 -12.629 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -39.028 14.110 -12.235 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -38.976 13.287 -10.688 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -37.842 16.034 -11.317 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -39.287 15.687 -10.388 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -36.880 17.254 -9.593 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -36.270 16.450 -8.142 1.00 0.00 H new ATOM 376 N HIS B 5 -36.032 14.487 -13.567 1.00 0.00 N ATOM 377 CA HIS B 5 -35.203 15.495 -14.251 1.00 0.00 C ATOM 378 C HIS B 5 -35.717 16.935 -14.074 1.00 0.00 C ATOM 379 O HIS B 5 -35.047 17.887 -14.467 1.00 0.00 O ATOM 380 CB HIS B 5 -35.137 15.144 -15.752 1.00 0.00 C ATOM 381 CG HIS B 5 -34.974 13.671 -16.066 1.00 0.00 C ATOM 382 ND1 HIS B 5 -35.963 12.697 -15.888 1.00 0.00 N ATOM 383 CD2 HIS B 5 -33.861 13.077 -16.585 1.00 0.00 C ATOM 384 CE1 HIS B 5 -35.426 11.543 -16.306 1.00 0.00 C ATOM 385 NE2 HIS B 5 -34.165 11.739 -16.733 1.00 0.00 N ATOM 0 H HIS B 5 -36.626 13.968 -14.214 1.00 0.00 H new ATOM 0 HA HIS B 5 -34.213 15.467 -13.795 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -36.047 15.502 -16.232 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -34.305 15.688 -16.199 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -32.926 13.559 -16.831 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -35.934 10.590 -16.301 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -33.541 11.022 -17.103 1.00 0.00 H new ATOM 393 N LEU B 6 -36.927 17.098 -13.526 1.00 0.00 N ATOM 394 CA LEU B 6 -37.590 18.389 -13.348 1.00 0.00 C ATOM 395 C LEU B 6 -36.736 19.299 -12.451 1.00 0.00 C ATOM 396 O LEU B 6 -36.587 19.064 -11.251 1.00 0.00 O ATOM 397 CB LEU B 6 -39.021 18.161 -12.817 1.00 0.00 C ATOM 398 CG LEU B 6 -40.029 19.310 -13.003 1.00 0.00 C ATOM 399 CD1 LEU B 6 -39.687 20.572 -12.212 1.00 0.00 C ATOM 400 CD2 LEU B 6 -40.220 19.679 -14.476 1.00 0.00 C ATOM 0 H LEU B 6 -37.484 16.314 -13.186 1.00 0.00 H new ATOM 0 HA LEU B 6 -37.687 18.908 -14.302 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -39.425 17.274 -13.304 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -38.955 17.938 -11.752 1.00 0.00 H new ATOM 0 HG LEU B 6 -40.962 18.913 -12.602 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -40.445 21.334 -12.397 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -39.660 20.338 -11.148 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -38.713 20.946 -12.527 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -40.940 20.494 -14.557 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -39.266 19.994 -14.899 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -40.591 18.812 -15.023 1.00 0.00 H new ATOM 412 N CYS B 7 -36.146 20.309 -13.086 1.00 0.00 N ATOM 413 CA CYS B 7 -35.108 21.156 -12.524 1.00 0.00 C ATOM 414 C CYS B 7 -35.663 22.146 -11.491 1.00 0.00 C ATOM 415 O CYS B 7 -36.614 22.867 -11.790 1.00 0.00 O ATOM 416 CB CYS B 7 -34.463 21.893 -13.704 1.00 0.00 C ATOM 417 SG CYS B 7 -32.783 22.486 -13.429 1.00 0.00 S ATOM 0 H CYS B 7 -36.390 20.566 -14.042 1.00 0.00 H new ATOM 0 HA CYS B 7 -34.378 20.552 -11.986 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -34.457 21.226 -14.566 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -35.092 22.745 -13.964 1.00 0.00 H new ATOM 422 N GLY B 8 -35.058 22.244 -10.305 1.00 0.00 N ATOM 423 CA GLY B 8 -35.504 23.194 -9.285 1.00 0.00 C ATOM 424 C GLY B 8 -34.924 22.955 -7.893 1.00 0.00 C ATOM 425 O GLY B 8 -33.936 22.238 -7.710 1.00 0.00 O ATOM 0 H GLY B 8 -34.257 21.676 -10.028 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -35.239 24.202 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -36.591 23.155 -9.222 1.00 0.00 H new ATOM 429 N SER B 9 -35.573 23.562 -6.899 1.00 0.00 N ATOM 430 CA SER B 9 -35.182 23.520 -5.483 1.00 0.00 C ATOM 431 C SER B 9 -35.093 22.118 -4.881 1.00 0.00 C ATOM 432 O SER B 9 -34.409 21.966 -3.879 1.00 0.00 O ATOM 433 CB SER B 9 -36.147 24.352 -4.634 1.00 0.00 C ATOM 434 OG SER B 9 -36.263 25.650 -5.186 1.00 0.00 O ATOM 0 H SER B 9 -36.414 24.116 -7.059 1.00 0.00 H new ATOM 0 HA SER B 9 -34.174 23.935 -5.465 1.00 0.00 H new ATOM 0 HB2 SER B 9 -37.125 23.871 -4.599 1.00 0.00 H new ATOM 0 HB3 SER B 9 -35.785 24.413 -3.608 1.00 0.00 H new ATOM 0 HG SER B 9 -36.882 26.182 -4.644 1.00 0.00 H new ATOM 440 N HIS B 10 -35.668 21.081 -5.496 1.00 0.00 N ATOM 441 CA HIS B 10 -35.506 19.687 -5.049 1.00 0.00 C ATOM 442 C HIS B 10 -34.038 19.231 -5.001 1.00 0.00 C ATOM 443 O HIS B 10 -33.662 18.402 -4.175 1.00 0.00 O ATOM 444 CB HIS B 10 -36.325 18.768 -5.962 1.00 0.00 C ATOM 445 CG HIS B 10 -37.716 19.281 -6.218 1.00 0.00 C ATOM 446 ND1 HIS B 10 -38.100 20.031 -7.332 1.00 0.00 N ATOM 447 CD2 HIS B 10 -38.745 19.250 -5.326 1.00 0.00 C ATOM 448 CE1 HIS B 10 -39.370 20.396 -7.103 1.00 0.00 C ATOM 449 NE2 HIS B 10 -39.784 19.938 -5.909 1.00 0.00 N ATOM 0 H HIS B 10 -36.261 21.180 -6.320 1.00 0.00 H new ATOM 0 HA HIS B 10 -35.872 19.628 -4.024 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.805 18.653 -6.913 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -36.386 17.778 -5.511 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -38.745 18.779 -4.354 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -39.976 20.977 -7.783 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -40.710 20.077 -5.504 1.00 0.00 H new ATOM 457 N LEU B 11 -33.178 19.804 -5.851 1.00 0.00 N ATOM 458 CA LEU B 11 -31.727 19.582 -5.819 1.00 0.00 C ATOM 459 C LEU B 11 -31.008 20.432 -4.750 1.00 0.00 C ATOM 460 O LEU B 11 -29.905 20.093 -4.319 1.00 0.00 O ATOM 461 CB LEU B 11 -31.137 19.830 -7.218 1.00 0.00 C ATOM 462 CG LEU B 11 -31.558 18.874 -8.355 1.00 0.00 C ATOM 463 CD1 LEU B 11 -31.476 17.391 -7.971 1.00 0.00 C ATOM 464 CD2 LEU B 11 -32.943 19.140 -8.947 1.00 0.00 C ATOM 0 H LEU B 11 -33.473 20.443 -6.589 1.00 0.00 H new ATOM 0 HA LEU B 11 -31.560 18.544 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -31.401 20.844 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -30.051 19.794 -7.135 1.00 0.00 H new ATOM 0 HG LEU B 11 -30.817 19.096 -9.122 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -31.786 16.778 -8.817 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -30.450 17.142 -7.699 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -32.133 17.198 -7.123 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -33.146 18.417 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -33.697 19.045 -8.166 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -32.974 20.148 -9.361 1.00 0.00 H new ATOM 476 N VAL B 12 -31.642 21.510 -4.277 1.00 0.00 N ATOM 477 CA VAL B 12 -31.230 22.269 -3.080 1.00 0.00 C ATOM 478 C VAL B 12 -31.693 21.562 -1.799 1.00 0.00 C ATOM 479 O VAL B 12 -30.955 21.506 -0.821 1.00 0.00 O ATOM 480 CB VAL B 12 -31.713 23.734 -3.128 1.00 0.00 C ATOM 481 CG1 VAL B 12 -31.210 24.537 -1.922 1.00 0.00 C ATOM 482 CG2 VAL B 12 -31.198 24.437 -4.393 1.00 0.00 C ATOM 0 H VAL B 12 -32.476 21.892 -4.723 1.00 0.00 H new ATOM 0 HA VAL B 12 -30.140 22.300 -3.071 1.00 0.00 H new ATOM 0 HB VAL B 12 -32.802 23.698 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -31.571 25.563 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -31.581 24.084 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -30.120 24.536 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -31.551 25.468 -4.405 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -30.108 24.426 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -31.569 23.916 -5.276 1.00 0.00 H new ATOM 492 N GLU B 13 -32.858 20.916 -1.815 1.00 0.00 N ATOM 493 CA GLU B 13 -33.292 19.992 -0.757 1.00 0.00 C ATOM 494 C GLU B 13 -32.374 18.758 -0.689 1.00 0.00 C ATOM 495 O GLU B 13 -31.967 18.352 0.398 1.00 0.00 O ATOM 496 CB GLU B 13 -34.769 19.623 -0.964 1.00 0.00 C ATOM 497 CG GLU B 13 -35.679 20.843 -0.703 1.00 0.00 C ATOM 498 CD GLU B 13 -37.098 20.733 -1.285 1.00 0.00 C ATOM 499 OE1 GLU B 13 -37.319 19.903 -2.196 1.00 0.00 O ATOM 500 OE2 GLU B 13 -37.952 21.531 -0.841 1.00 0.00 O ATOM 0 H GLU B 13 -33.537 21.017 -2.569 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.209 20.486 0.211 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -34.919 19.262 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.043 18.809 -0.293 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -35.755 20.997 0.373 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.200 21.730 -1.118 1.00 0.00 H new ATOM 507 N ALA B 14 -31.902 18.242 -1.830 1.00 0.00 N ATOM 508 CA ALA B 14 -30.810 17.265 -1.866 1.00 0.00 C ATOM 509 C ALA B 14 -29.473 17.798 -1.294 1.00 0.00 C ATOM 510 O ALA B 14 -28.768 17.047 -0.626 1.00 0.00 O ATOM 511 CB ALA B 14 -30.648 16.752 -3.300 1.00 0.00 C ATOM 0 H ALA B 14 -32.265 18.489 -2.750 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.083 16.442 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -29.837 16.024 -3.337 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -31.575 16.279 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.416 17.587 -3.961 1.00 0.00 H new ATOM 517 N LEU B 15 -29.125 19.076 -1.502 1.00 0.00 N ATOM 518 CA LEU B 15 -27.969 19.721 -0.853 1.00 0.00 C ATOM 519 C LEU B 15 -28.113 19.770 0.684 1.00 0.00 C ATOM 520 O LEU B 15 -27.156 19.449 1.393 1.00 0.00 O ATOM 521 CB LEU B 15 -27.760 21.134 -1.439 1.00 0.00 C ATOM 522 CG LEU B 15 -26.852 21.184 -2.675 1.00 0.00 C ATOM 523 CD1 LEU B 15 -27.189 22.360 -3.596 1.00 0.00 C ATOM 524 CD2 LEU B 15 -25.397 21.347 -2.235 1.00 0.00 C ATOM 0 H LEU B 15 -29.639 19.696 -2.128 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.087 19.115 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -28.732 21.552 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -27.335 21.775 -0.666 1.00 0.00 H new ATOM 0 HG LEU B 15 -27.007 20.252 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.519 22.352 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -28.220 22.270 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -27.068 23.296 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -24.753 21.382 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -25.290 22.272 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -25.110 20.503 -1.608 1.00 0.00 H new ATOM 536 N TYR B 16 -29.301 20.087 1.218 1.00 0.00 N ATOM 537 CA TYR B 16 -29.558 19.997 2.667 1.00 0.00 C ATOM 538 C TYR B 16 -29.401 18.566 3.196 1.00 0.00 C ATOM 539 O TYR B 16 -28.829 18.390 4.268 1.00 0.00 O ATOM 540 CB TYR B 16 -30.941 20.556 3.043 1.00 0.00 C ATOM 541 CG TYR B 16 -31.029 22.070 3.033 1.00 0.00 C ATOM 542 CD1 TYR B 16 -30.354 22.822 4.018 1.00 0.00 C ATOM 543 CD2 TYR B 16 -31.777 22.732 2.042 1.00 0.00 C ATOM 544 CE1 TYR B 16 -30.389 24.228 3.981 1.00 0.00 C ATOM 545 CE2 TYR B 16 -31.829 24.137 2.012 1.00 0.00 C ATOM 546 CZ TYR B 16 -31.123 24.886 2.973 1.00 0.00 C ATOM 547 OH TYR B 16 -31.132 26.240 2.919 1.00 0.00 O ATOM 0 H TYR B 16 -30.100 20.408 0.671 1.00 0.00 H new ATOM 0 HA TYR B 16 -28.800 20.617 3.146 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -31.681 20.157 2.350 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.207 20.195 4.037 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -29.809 22.317 4.802 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -32.314 22.158 1.301 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -29.855 24.802 4.723 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -32.409 24.641 1.253 1.00 0.00 H new ATOM 0 HH TYR B 16 -31.684 26.534 2.165 1.00 0.00 H new ATOM 557 N LEU B 17 -29.811 17.547 2.435 1.00 0.00 N ATOM 558 CA LEU B 17 -29.593 16.131 2.772 1.00 0.00 C ATOM 559 C LEU B 17 -28.120 15.676 2.672 1.00 0.00 C ATOM 560 O LEU B 17 -27.779 14.635 3.230 1.00 0.00 O ATOM 561 CB LEU B 17 -30.500 15.261 1.881 1.00 0.00 C ATOM 562 CG LEU B 17 -32.006 15.425 2.165 1.00 0.00 C ATOM 563 CD1 LEU B 17 -32.817 14.842 1.008 1.00 0.00 C ATOM 564 CD2 LEU B 17 -32.421 14.707 3.452 1.00 0.00 C ATOM 0 H LEU B 17 -30.310 17.681 1.556 1.00 0.00 H new ATOM 0 HA LEU B 17 -29.854 16.007 3.823 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -30.309 15.508 0.837 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -30.228 14.214 2.016 1.00 0.00 H new ATOM 0 HG LEU B 17 -32.202 16.491 2.277 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -33.881 14.960 1.213 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -32.565 15.366 0.086 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -32.584 13.783 0.898 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -33.489 14.846 3.618 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -32.203 13.643 3.361 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -31.866 15.120 4.294 1.00 0.00 H new ATOM 576 N VAL B 18 -27.252 16.438 1.995 1.00 0.00 N ATOM 577 CA VAL B 18 -25.812 16.149 1.835 1.00 0.00 C ATOM 578 C VAL B 18 -24.918 16.907 2.826 1.00 0.00 C ATOM 579 O VAL B 18 -23.843 16.420 3.168 1.00 0.00 O ATOM 580 CB VAL B 18 -25.406 16.405 0.366 1.00 0.00 C ATOM 581 CG1 VAL B 18 -23.904 16.576 0.116 1.00 0.00 C ATOM 582 CG2 VAL B 18 -25.876 15.228 -0.493 1.00 0.00 C ATOM 0 H VAL B 18 -27.536 17.299 1.528 1.00 0.00 H new ATOM 0 HA VAL B 18 -25.653 15.098 2.077 1.00 0.00 H new ATOM 0 HB VAL B 18 -25.879 17.352 0.105 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -23.729 16.750 -0.946 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -23.534 17.426 0.689 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -23.378 15.673 0.427 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -25.594 15.400 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -25.410 14.309 -0.138 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -26.960 15.136 -0.422 1.00 0.00 H new ATOM 592 N CYS B 19 -25.325 18.090 3.301 1.00 0.00 N ATOM 593 CA CYS B 19 -24.475 18.915 4.185 1.00 0.00 C ATOM 594 C CYS B 19 -25.213 19.660 5.321 1.00 0.00 C ATOM 595 O CYS B 19 -24.610 19.960 6.351 1.00 0.00 O ATOM 596 CB CYS B 19 -23.651 19.875 3.307 1.00 0.00 C ATOM 597 SG CYS B 19 -22.168 20.550 4.103 1.00 0.00 S ATOM 0 H CYS B 19 -26.235 18.502 3.092 1.00 0.00 H new ATOM 0 HA CYS B 19 -23.826 18.229 4.729 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -23.352 19.349 2.400 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -24.290 20.703 3.000 1.00 0.00 H new ATOM 602 N GLY B 20 -26.517 19.924 5.164 1.00 0.00 N ATOM 603 CA GLY B 20 -27.408 20.449 6.205 1.00 0.00 C ATOM 604 C GLY B 20 -27.017 21.806 6.798 1.00 0.00 C ATOM 605 O GLY B 20 -27.385 22.855 6.274 1.00 0.00 O ATOM 0 H GLY B 20 -26.997 19.772 4.277 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -28.412 20.532 5.789 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -27.458 19.721 7.015 1.00 0.00 H new ATOM 609 N GLU B 21 -26.297 21.755 7.915 1.00 0.00 N ATOM 610 CA GLU B 21 -26.164 22.805 8.930 1.00 0.00 C ATOM 611 C GLU B 21 -25.490 24.104 8.461 1.00 0.00 C ATOM 612 O GLU B 21 -25.704 25.175 9.022 1.00 0.00 O ATOM 613 CB GLU B 21 -25.344 22.159 10.067 1.00 0.00 C ATOM 614 CG GLU B 21 -25.360 22.904 11.407 1.00 0.00 C ATOM 615 CD GLU B 21 -26.744 22.914 12.079 1.00 0.00 C ATOM 616 OE1 GLU B 21 -27.724 22.440 11.453 1.00 0.00 O ATOM 617 OE2 GLU B 21 -26.793 23.359 13.245 1.00 0.00 O ATOM 0 H GLU B 21 -25.754 20.926 8.154 1.00 0.00 H new ATOM 0 HA GLU B 21 -27.161 23.133 9.226 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -25.718 21.148 10.230 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -24.309 22.067 9.736 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -24.639 22.441 12.081 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -25.033 23.932 11.248 1.00 0.00 H new ATOM 624 N ARG B 22 -24.630 24.015 7.442 1.00 0.00 N ATOM 625 CA ARG B 22 -23.676 25.082 7.074 1.00 0.00 C ATOM 626 C ARG B 22 -24.051 25.864 5.813 1.00 0.00 C ATOM 627 O ARG B 22 -23.357 26.810 5.444 1.00 0.00 O ATOM 628 CB ARG B 22 -22.268 24.468 7.017 1.00 0.00 C ATOM 629 CG ARG B 22 -21.783 24.071 8.429 1.00 0.00 C ATOM 630 CD ARG B 22 -21.025 22.739 8.471 1.00 0.00 C ATOM 631 NE ARG B 22 -19.754 22.813 7.735 1.00 0.00 N ATOM 632 CZ ARG B 22 -18.639 22.144 7.936 1.00 0.00 C ATOM 633 NH1 ARG B 22 -18.523 21.237 8.869 1.00 0.00 N ATOM 634 NH2 ARG B 22 -17.595 22.364 7.198 1.00 0.00 N ATOM 0 H ARG B 22 -24.571 23.194 6.839 1.00 0.00 H new ATOM 0 HA ARG B 22 -23.708 25.851 7.845 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -22.275 23.591 6.370 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.573 25.183 6.577 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -21.136 24.859 8.816 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -22.644 24.010 9.095 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -20.830 22.464 9.507 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -21.647 21.952 8.044 1.00 0.00 H new ATOM 0 HE ARG B 22 -19.734 23.476 6.960 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -19.315 21.025 9.475 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -17.640 20.741 8.991 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -17.634 23.061 6.454 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -16.735 21.840 7.362 1.00 0.00 H new ATOM 648 N GLY B 23 -25.158 25.499 5.161 1.00 0.00 N ATOM 649 CA GLY B 23 -25.566 26.080 3.880 1.00 0.00 C ATOM 650 C GLY B 23 -24.580 25.788 2.740 1.00 0.00 C ATOM 651 O GLY B 23 -23.749 24.888 2.824 1.00 0.00 O ATOM 0 H GLY B 23 -25.800 24.787 5.510 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -26.548 25.693 3.610 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -25.669 27.159 3.995 1.00 0.00 H new ATOM 655 N PHE B 24 -24.704 26.525 1.633 1.00 0.00 N ATOM 656 CA PHE B 24 -23.998 26.245 0.375 1.00 0.00 C ATOM 657 C PHE B 24 -23.371 27.530 -0.174 1.00 0.00 C ATOM 658 O PHE B 24 -24.036 28.564 -0.233 1.00 0.00 O ATOM 659 CB PHE B 24 -24.961 25.577 -0.632 1.00 0.00 C ATOM 660 CG PHE B 24 -25.989 24.653 0.006 1.00 0.00 C ATOM 661 CD1 PHE B 24 -25.566 23.542 0.765 1.00 0.00 C ATOM 662 CD2 PHE B 24 -27.358 24.991 -0.033 1.00 0.00 C ATOM 663 CE1 PHE B 24 -26.492 22.826 1.543 1.00 0.00 C ATOM 664 CE2 PHE B 24 -28.290 24.244 0.708 1.00 0.00 C ATOM 665 CZ PHE B 24 -27.849 23.184 1.516 1.00 0.00 C ATOM 0 H PHE B 24 -25.307 27.346 1.582 1.00 0.00 H new ATOM 0 HA PHE B 24 -23.183 25.544 0.556 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -25.484 26.355 -1.188 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -24.376 25.008 -1.354 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -24.529 23.241 0.748 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -27.691 25.825 -0.633 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -26.161 22.003 2.159 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -29.342 24.485 0.656 1.00 0.00 H new ATOM 0 HZ PHE B 24 -28.559 22.640 2.121 1.00 0.00 H new ATOM 675 N PHE B 25 -22.096 27.493 -0.574 1.00 0.00 N ATOM 676 CA PHE B 25 -21.383 28.706 -0.980 1.00 0.00 C ATOM 677 C PHE B 25 -21.929 29.280 -2.291 1.00 0.00 C ATOM 678 O PHE B 25 -22.140 30.485 -2.389 1.00 0.00 O ATOM 679 CB PHE B 25 -19.886 28.404 -1.105 1.00 0.00 C ATOM 680 CG PHE B 25 -19.020 29.598 -1.476 1.00 0.00 C ATOM 681 CD1 PHE B 25 -18.649 29.825 -2.817 1.00 0.00 C ATOM 682 CD2 PHE B 25 -18.553 30.468 -0.472 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.800 30.898 -3.146 1.00 0.00 C ATOM 684 CE2 PHE B 25 -17.703 31.540 -0.800 1.00 0.00 C ATOM 685 CZ PHE B 25 -17.319 31.750 -2.137 1.00 0.00 C ATOM 0 H PHE B 25 -21.539 26.640 -0.625 1.00 0.00 H new ATOM 0 HA PHE B 25 -21.539 29.463 -0.212 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -19.532 27.997 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -19.749 27.627 -1.857 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -19.018 29.173 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -18.849 30.312 0.555 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.518 31.067 -4.175 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -17.345 32.202 -0.025 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.656 32.565 -2.388 1.00 0.00 H new ATOM 695 N TYR B 26 -22.147 28.402 -3.273 1.00 0.00 N ATOM 696 CA TYR B 26 -22.434 28.720 -4.674 1.00 0.00 C ATOM 697 C TYR B 26 -21.392 29.626 -5.347 1.00 0.00 C ATOM 698 O TYR B 26 -21.337 30.831 -5.129 1.00 0.00 O ATOM 699 CB TYR B 26 -23.883 29.206 -4.870 1.00 0.00 C ATOM 700 CG TYR B 26 -24.828 28.072 -5.224 1.00 0.00 C ATOM 701 CD1 TYR B 26 -25.223 27.875 -6.564 1.00 0.00 C ATOM 702 CD2 TYR B 26 -25.256 27.176 -4.226 1.00 0.00 C ATOM 703 CE1 TYR B 26 -26.026 26.769 -6.906 1.00 0.00 C ATOM 704 CE2 TYR B 26 -26.061 26.070 -4.563 1.00 0.00 C ATOM 705 CZ TYR B 26 -26.437 25.860 -5.908 1.00 0.00 C ATOM 706 OH TYR B 26 -27.176 24.778 -6.269 1.00 0.00 O ATOM 0 H TYR B 26 -22.127 27.396 -3.103 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.343 27.776 -5.211 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -24.228 29.692 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -23.908 29.957 -5.660 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -24.910 28.572 -7.327 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -24.966 27.337 -3.198 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -26.327 26.617 -7.932 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -26.389 25.385 -3.795 1.00 0.00 H new ATOM 0 HH TYR B 26 -26.941 24.512 -7.182 1.00 0.00 H new ATOM 716 N THR B 27 -20.589 29.026 -6.231 1.00 0.00 N ATOM 717 CA THR B 27 -19.784 29.749 -7.230 1.00 0.00 C ATOM 718 C THR B 27 -20.651 30.094 -8.465 1.00 0.00 C ATOM 719 O THR B 27 -21.576 29.325 -8.786 1.00 0.00 O ATOM 720 CB THR B 27 -18.531 28.941 -7.633 1.00 0.00 C ATOM 721 OG1 THR B 27 -18.854 27.810 -8.414 1.00 0.00 O ATOM 722 CG2 THR B 27 -17.745 28.382 -6.445 1.00 0.00 C ATOM 0 H THR B 27 -20.476 28.013 -6.277 1.00 0.00 H new ATOM 0 HA THR B 27 -19.436 30.680 -6.782 1.00 0.00 H new ATOM 0 HB THR B 27 -17.934 29.670 -8.182 1.00 0.00 H new ATOM 0 HG1 THR B 27 -18.033 27.329 -8.648 1.00 0.00 H new ATOM 0 HG21 THR B 27 -16.880 27.827 -6.809 1.00 0.00 H new ATOM 0 HG22 THR B 27 -17.409 29.203 -5.812 1.00 0.00 H new ATOM 0 HG23 THR B 27 -18.385 27.716 -5.866 1.00 0.00 H new ATOM 730 N PRO B 28 -20.387 31.190 -9.206 1.00 0.00 N ATOM 731 CA PRO B 28 -19.304 32.151 -9.006 1.00 0.00 C ATOM 732 C PRO B 28 -19.612 33.247 -7.969 1.00 0.00 C ATOM 733 O PRO B 28 -20.638 33.923 -8.028 1.00 0.00 O ATOM 734 CB PRO B 28 -19.057 32.766 -10.385 1.00 0.00 C ATOM 735 CG PRO B 28 -20.451 32.776 -11.008 1.00 0.00 C ATOM 736 CD PRO B 28 -21.097 31.511 -10.439 1.00 0.00 C ATOM 0 HA PRO B 28 -18.432 31.641 -8.598 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -18.640 33.770 -10.311 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -18.356 32.173 -10.972 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -21.008 33.671 -10.733 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -20.406 32.750 -12.097 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -22.157 31.673 -10.243 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -21.027 30.688 -11.150 1.00 0.00 H new ATOM 744 N LYS B 29 -18.649 33.454 -7.073 1.00 0.00 N ATOM 745 CA LYS B 29 -18.365 34.680 -6.303 1.00 0.00 C ATOM 746 C LYS B 29 -16.842 34.873 -6.274 1.00 0.00 C ATOM 747 O LYS B 29 -16.340 35.934 -6.626 1.00 0.00 O ATOM 748 CB LYS B 29 -18.936 34.579 -4.880 1.00 0.00 C ATOM 749 CG LYS B 29 -20.463 34.369 -4.834 1.00 0.00 C ATOM 750 CD LYS B 29 -21.015 34.213 -3.411 1.00 0.00 C ATOM 751 CE LYS B 29 -20.257 33.105 -2.676 1.00 0.00 C ATOM 752 NZ LYS B 29 -20.924 32.682 -1.432 1.00 0.00 N ATOM 0 H LYS B 29 -17.988 32.712 -6.842 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.842 35.539 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.450 33.753 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.687 35.489 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -20.953 35.216 -5.315 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -20.718 33.482 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -20.917 35.154 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -22.078 33.975 -3.448 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -20.151 32.244 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.251 33.453 -2.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.251 32.157 -0.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -21.260 33.520 -0.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -21.733 32.070 -1.662 1.00 0.00 H new