USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=12 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: B 4 GLN : amide:sc= 1.37 K(o=2.1,f=-5.1!) USER MOD Set 1.2: B 10 HIS : no HD1:sc= 0.695 K(o=2.1,f=-5.4) USER MOD Set 2.1: A 12 SER OG : rot 68:sc= 0.8 USER MOD Set 2.2: B 1 PHE N :NH3+ -160:sc= 1.47 (180deg=-0.316) USER MOD Single : A 1 GLY N :NH3+ -177:sc= 1.2 (180deg=1.12) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.269 F(o=-0.85,f=-0.27) USER MOD Single : A 18 ASN : amide:sc= 0.862 K(o=0.86,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0.053 USER MOD Single : A 21 ASN : amide:sc= -0.535 X(o=-0.54,f=-0.59) USER MOD Single : B 3 ASN : amide:sc= -0.0235 K(o=-0.023,f=-1.5) USER MOD Single : B 5 HIS : no HD1:sc= 0.0826 K(o=0.083,f=-5.5!) USER MOD Single : B 9 SER OG : rot -90:sc= 1.23 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 150:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 176:sc= 0.983 (180deg=0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.305 27.223 -11.778 1.00 0.00 N ATOM 2 CA GLY A 1 -21.875 26.475 -10.584 1.00 0.00 C ATOM 3 C GLY A 1 -22.859 25.352 -10.372 1.00 0.00 C ATOM 4 O GLY A 1 -24.035 25.656 -10.238 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.617 27.976 -11.982 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.362 26.577 -12.591 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.240 27.645 -11.605 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.868 26.081 -10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.846 27.129 -9.712 1.00 0.00 H new ATOM 10 N ILE A 2 -22.385 24.102 -10.312 1.00 0.00 N ATOM 11 CA ILE A 2 -22.845 22.896 -11.048 1.00 0.00 C ATOM 12 C ILE A 2 -24.345 22.521 -11.103 1.00 0.00 C ATOM 13 O ILE A 2 -24.687 21.530 -11.746 1.00 0.00 O ATOM 14 CB ILE A 2 -21.978 21.708 -10.579 1.00 0.00 C ATOM 15 CG1 ILE A 2 -21.792 20.608 -11.646 1.00 0.00 C ATOM 16 CG2 ILE A 2 -22.541 21.127 -9.280 1.00 0.00 C ATOM 17 CD1 ILE A 2 -20.589 19.699 -11.365 1.00 0.00 C ATOM 0 H ILE A 2 -21.602 23.878 -9.697 1.00 0.00 H new ATOM 0 HA ILE A 2 -22.710 23.170 -12.094 1.00 0.00 H new ATOM 0 HB ILE A 2 -20.979 22.106 -10.399 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -22.696 20.001 -11.695 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -21.668 21.075 -12.623 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -21.922 20.290 -8.958 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.542 21.896 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -23.561 20.781 -9.448 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -20.511 18.946 -12.149 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -19.678 20.297 -11.344 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -20.722 19.207 -10.402 1.00 0.00 H new ATOM 29 N VAL A 3 -25.266 23.276 -10.500 1.00 0.00 N ATOM 30 CA VAL A 3 -26.714 22.981 -10.470 1.00 0.00 C ATOM 31 C VAL A 3 -27.364 22.940 -11.863 1.00 0.00 C ATOM 32 O VAL A 3 -28.400 22.302 -12.032 1.00 0.00 O ATOM 33 CB VAL A 3 -27.430 23.958 -9.518 1.00 0.00 C ATOM 34 CG1 VAL A 3 -27.624 25.360 -10.108 1.00 0.00 C ATOM 35 CG2 VAL A 3 -28.789 23.424 -9.053 1.00 0.00 C ATOM 0 H VAL A 3 -25.026 24.134 -10.004 1.00 0.00 H new ATOM 0 HA VAL A 3 -26.830 21.968 -10.083 1.00 0.00 H new ATOM 0 HB VAL A 3 -26.759 24.042 -8.663 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -28.134 25.993 -9.382 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -26.652 25.792 -10.346 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -28.224 25.293 -11.016 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -29.255 24.148 -8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -29.432 23.263 -9.918 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -28.648 22.481 -8.525 1.00 0.00 H new ATOM 45 N GLU A 4 -26.708 23.503 -12.880 1.00 0.00 N ATOM 46 CA GLU A 4 -27.005 23.266 -14.296 1.00 0.00 C ATOM 47 C GLU A 4 -27.035 21.758 -14.654 1.00 0.00 C ATOM 48 O GLU A 4 -27.990 21.286 -15.268 1.00 0.00 O ATOM 49 CB GLU A 4 -26.010 24.072 -15.165 1.00 0.00 C ATOM 50 CG GLU A 4 -24.505 23.986 -14.788 1.00 0.00 C ATOM 51 CD GLU A 4 -23.908 25.192 -14.010 1.00 0.00 C ATOM 52 OE1 GLU A 4 -22.917 25.013 -13.269 1.00 0.00 O ATOM 53 OE2 GLU A 4 -24.414 26.334 -14.078 1.00 0.00 O ATOM 0 H GLU A 4 -25.935 24.153 -12.739 1.00 0.00 H new ATOM 0 HA GLU A 4 -28.014 23.620 -14.508 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -26.119 23.741 -16.198 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -26.307 25.120 -15.133 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -24.356 23.088 -14.189 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -23.932 23.856 -15.706 1.00 0.00 H new ATOM 60 N GLN A 5 -26.090 20.956 -14.148 1.00 0.00 N ATOM 61 CA GLN A 5 -26.073 19.487 -14.260 1.00 0.00 C ATOM 62 C GLN A 5 -27.156 18.777 -13.412 1.00 0.00 C ATOM 63 O GLN A 5 -27.230 17.548 -13.417 1.00 0.00 O ATOM 64 CB GLN A 5 -24.675 18.946 -13.897 1.00 0.00 C ATOM 65 CG GLN A 5 -23.504 19.580 -14.667 1.00 0.00 C ATOM 66 CD GLN A 5 -23.597 19.427 -16.183 1.00 0.00 C ATOM 67 OE1 GLN A 5 -23.426 20.370 -16.932 1.00 0.00 O ATOM 68 NE2 GLN A 5 -23.871 18.252 -16.711 1.00 0.00 N ATOM 0 H GLN A 5 -25.289 21.321 -13.632 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.309 19.260 -15.300 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -24.511 19.097 -12.830 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.663 17.870 -14.072 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -23.455 20.641 -14.422 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -22.572 19.130 -14.324 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -24.019 17.444 -16.107 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -23.935 18.150 -17.724 1.00 0.00 H new ATOM 77 N CYS A 6 -27.988 19.522 -12.680 1.00 0.00 N ATOM 78 CA CYS A 6 -29.185 19.052 -11.973 1.00 0.00 C ATOM 79 C CYS A 6 -30.483 19.670 -12.536 1.00 0.00 C ATOM 80 O CYS A 6 -31.535 19.637 -11.899 1.00 0.00 O ATOM 81 CB CYS A 6 -29.002 19.240 -10.464 1.00 0.00 C ATOM 82 SG CYS A 6 -27.800 18.110 -9.697 1.00 0.00 S ATOM 0 H CYS A 6 -27.838 20.523 -12.557 1.00 0.00 H new ATOM 0 HA CYS A 6 -29.305 17.983 -12.149 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -28.687 20.266 -10.275 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -29.967 19.108 -9.975 1.00 0.00 H new ATOM 87 N CYS A 7 -30.419 20.159 -13.775 1.00 0.00 N ATOM 88 CA CYS A 7 -31.553 20.333 -14.687 1.00 0.00 C ATOM 89 C CYS A 7 -31.550 19.228 -15.768 1.00 0.00 C ATOM 90 O CYS A 7 -31.967 19.445 -16.901 1.00 0.00 O ATOM 91 CB CYS A 7 -31.503 21.766 -15.231 1.00 0.00 C ATOM 92 SG CYS A 7 -31.617 23.010 -13.913 1.00 0.00 S ATOM 0 H CYS A 7 -29.537 20.458 -14.190 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.509 20.214 -14.177 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -30.575 21.910 -15.784 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -32.320 21.913 -15.937 1.00 0.00 H new ATOM 97 N ALA A 8 -31.018 18.051 -15.413 1.00 0.00 N ATOM 98 CA ALA A 8 -30.674 16.938 -16.293 1.00 0.00 C ATOM 99 C ALA A 8 -30.801 15.574 -15.576 1.00 0.00 C ATOM 100 O ALA A 8 -30.994 15.502 -14.358 1.00 0.00 O ATOM 101 CB ALA A 8 -29.249 17.179 -16.811 1.00 0.00 C ATOM 0 H ALA A 8 -30.804 17.842 -14.438 1.00 0.00 H new ATOM 0 HA ALA A 8 -31.373 16.895 -17.128 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -28.960 16.363 -17.473 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -29.215 18.121 -17.359 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.559 17.225 -15.969 1.00 0.00 H new ATOM 107 N SER A 9 -30.721 14.488 -16.350 1.00 0.00 N ATOM 108 CA SER A 9 -31.114 13.136 -15.938 1.00 0.00 C ATOM 109 C SER A 9 -30.384 12.594 -14.705 1.00 0.00 C ATOM 110 O SER A 9 -29.165 12.436 -14.715 1.00 0.00 O ATOM 111 CB SER A 9 -30.905 12.155 -17.094 1.00 0.00 C ATOM 112 OG SER A 9 -31.602 12.602 -18.243 1.00 0.00 O ATOM 0 H SER A 9 -30.371 14.525 -17.307 1.00 0.00 H new ATOM 0 HA SER A 9 -32.165 13.223 -15.662 1.00 0.00 H new ATOM 0 HB2 SER A 9 -29.842 12.064 -17.316 1.00 0.00 H new ATOM 0 HB3 SER A 9 -31.257 11.164 -16.808 1.00 0.00 H new ATOM 0 HG SER A 9 -31.461 11.969 -18.978 1.00 0.00 H new ATOM 118 N VAL A 10 -31.147 12.220 -13.670 1.00 0.00 N ATOM 119 CA VAL A 10 -30.703 11.400 -12.522 1.00 0.00 C ATOM 120 C VAL A 10 -29.422 11.941 -11.848 1.00 0.00 C ATOM 121 O VAL A 10 -28.549 11.185 -11.411 1.00 0.00 O ATOM 122 CB VAL A 10 -30.650 9.890 -12.894 1.00 0.00 C ATOM 123 CG1 VAL A 10 -30.596 8.958 -11.670 1.00 0.00 C ATOM 124 CG2 VAL A 10 -31.900 9.441 -13.670 1.00 0.00 C ATOM 0 H VAL A 10 -32.129 12.487 -13.601 1.00 0.00 H new ATOM 0 HA VAL A 10 -31.460 11.489 -11.743 1.00 0.00 H new ATOM 0 HB VAL A 10 -29.740 9.808 -13.488 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -30.561 7.921 -12.004 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -29.705 9.181 -11.082 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -31.484 9.112 -11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -31.819 8.380 -13.908 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -32.787 9.609 -13.059 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -31.981 10.015 -14.593 1.00 0.00 H new ATOM 134 N CYS A 11 -29.300 13.271 -11.730 1.00 0.00 N ATOM 135 CA CYS A 11 -28.109 13.930 -11.175 1.00 0.00 C ATOM 136 C CYS A 11 -27.683 13.383 -9.790 1.00 0.00 C ATOM 137 O CYS A 11 -28.523 12.910 -9.015 1.00 0.00 O ATOM 138 CB CYS A 11 -28.285 15.456 -11.198 1.00 0.00 C ATOM 139 SG CYS A 11 -28.697 16.266 -9.627 1.00 0.00 S ATOM 0 H CYS A 11 -30.029 13.923 -12.019 1.00 0.00 H new ATOM 0 HA CYS A 11 -27.269 13.682 -11.824 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -27.362 15.897 -11.574 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -29.068 15.695 -11.917 1.00 0.00 H new ATOM 144 N SER A 12 -26.375 13.365 -9.487 1.00 0.00 N ATOM 145 CA SER A 12 -25.815 12.528 -8.399 1.00 0.00 C ATOM 146 C SER A 12 -24.723 13.154 -7.515 1.00 0.00 C ATOM 147 O SER A 12 -24.111 14.156 -7.874 1.00 0.00 O ATOM 148 CB SER A 12 -25.382 11.161 -8.949 1.00 0.00 C ATOM 149 OG SER A 12 -26.524 10.436 -9.382 1.00 0.00 O ATOM 0 H SER A 12 -25.677 13.922 -9.980 1.00 0.00 H new ATOM 0 HA SER A 12 -26.644 12.418 -7.700 1.00 0.00 H new ATOM 0 HB2 SER A 12 -24.688 11.295 -9.779 1.00 0.00 H new ATOM 0 HB3 SER A 12 -24.853 10.599 -8.179 1.00 0.00 H new ATOM 0 HG SER A 12 -26.908 10.871 -10.172 1.00 0.00 H new ATOM 155 N LEU A 13 -24.526 12.553 -6.331 1.00 0.00 N ATOM 156 CA LEU A 13 -23.990 13.168 -5.100 1.00 0.00 C ATOM 157 C LEU A 13 -22.751 14.065 -5.251 1.00 0.00 C ATOM 158 O LEU A 13 -22.747 15.147 -4.679 1.00 0.00 O ATOM 159 CB LEU A 13 -23.703 12.056 -4.073 1.00 0.00 C ATOM 160 CG LEU A 13 -24.963 11.387 -3.492 1.00 0.00 C ATOM 161 CD1 LEU A 13 -24.603 10.054 -2.840 1.00 0.00 C ATOM 162 CD2 LEU A 13 -25.636 12.270 -2.445 1.00 0.00 C ATOM 0 H LEU A 13 -24.749 11.567 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 13 -24.770 13.855 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -23.086 11.292 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -23.119 12.476 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 13 -25.653 11.229 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -25.503 9.593 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -24.161 9.392 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -23.888 10.224 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -26.521 11.765 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -24.940 12.460 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -25.928 13.216 -2.900 1.00 0.00 H new ATOM 174 N TYR A 14 -21.750 13.702 -6.061 1.00 0.00 N ATOM 175 CA TYR A 14 -20.548 14.532 -6.276 1.00 0.00 C ATOM 176 C TYR A 14 -20.844 15.968 -6.753 1.00 0.00 C ATOM 177 O TYR A 14 -20.077 16.889 -6.458 1.00 0.00 O ATOM 178 CB TYR A 14 -19.636 13.852 -7.305 1.00 0.00 C ATOM 179 CG TYR A 14 -19.043 12.532 -6.857 1.00 0.00 C ATOM 180 CD1 TYR A 14 -17.880 12.530 -6.062 1.00 0.00 C ATOM 181 CD2 TYR A 14 -19.631 11.314 -7.255 1.00 0.00 C ATOM 182 CE1 TYR A 14 -17.295 11.311 -5.670 1.00 0.00 C ATOM 183 CE2 TYR A 14 -19.053 10.094 -6.855 1.00 0.00 C ATOM 184 CZ TYR A 14 -17.882 10.091 -6.068 1.00 0.00 C ATOM 185 OH TYR A 14 -17.308 8.914 -5.713 1.00 0.00 O ATOM 0 H TYR A 14 -21.745 12.828 -6.587 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.067 14.619 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -20.205 13.686 -8.220 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -18.823 14.533 -7.554 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -17.437 13.465 -5.753 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -20.522 11.317 -7.865 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -16.399 11.310 -5.066 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -19.506 9.160 -7.151 1.00 0.00 H new ATOM 0 HH TYR A 14 -17.840 8.171 -6.067 1.00 0.00 H new ATOM 195 N GLN A 15 -21.955 16.172 -7.469 1.00 0.00 N ATOM 196 CA GLN A 15 -22.435 17.492 -7.894 1.00 0.00 C ATOM 197 C GLN A 15 -23.018 18.316 -6.726 1.00 0.00 C ATOM 198 O GLN A 15 -23.171 19.525 -6.858 1.00 0.00 O ATOM 199 CB GLN A 15 -23.484 17.321 -9.015 1.00 0.00 C ATOM 200 CG GLN A 15 -22.940 16.577 -10.254 1.00 0.00 C ATOM 201 CD GLN A 15 -23.917 16.446 -11.431 1.00 0.00 C ATOM 202 OE1 GLN A 15 -25.170 16.842 -11.342 1.00 0.00 O flip ATOM 203 NE2 GLN A 15 -23.571 15.938 -12.480 1.00 0.00 N flip ATOM 0 H GLN A 15 -22.558 15.409 -7.776 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.578 18.051 -8.270 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -24.341 16.776 -8.620 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -23.844 18.304 -9.319 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -22.046 17.094 -10.603 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -22.631 15.577 -9.949 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -22.611 15.615 -12.598 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -24.241 15.835 -13.242 1.00 0.00 H new ATOM 212 N LEU A 16 -23.362 17.680 -5.603 1.00 0.00 N ATOM 213 CA LEU A 16 -23.885 18.321 -4.396 1.00 0.00 C ATOM 214 C LEU A 16 -22.753 18.599 -3.392 1.00 0.00 C ATOM 215 O LEU A 16 -22.606 19.735 -2.947 1.00 0.00 O ATOM 216 CB LEU A 16 -25.001 17.450 -3.773 1.00 0.00 C ATOM 217 CG LEU A 16 -26.076 16.933 -4.754 1.00 0.00 C ATOM 218 CD1 LEU A 16 -27.138 16.128 -4.006 1.00 0.00 C ATOM 219 CD2 LEU A 16 -26.804 18.023 -5.547 1.00 0.00 C ATOM 0 H LEU A 16 -23.281 16.668 -5.507 1.00 0.00 H new ATOM 0 HA LEU A 16 -24.321 19.283 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -24.537 16.592 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.496 18.029 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.520 16.324 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.888 15.771 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.669 15.276 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -27.616 16.762 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.539 17.563 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.309 18.699 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -26.083 18.584 -6.141 1.00 0.00 H new ATOM 231 N GLU A 17 -21.926 17.593 -3.073 1.00 0.00 N ATOM 232 CA GLU A 17 -20.847 17.715 -2.065 1.00 0.00 C ATOM 233 C GLU A 17 -19.935 18.936 -2.309 1.00 0.00 C ATOM 234 O GLU A 17 -19.645 19.711 -1.400 1.00 0.00 O ATOM 235 CB GLU A 17 -19.967 16.447 -2.053 1.00 0.00 C ATOM 236 CG GLU A 17 -20.669 15.090 -1.879 1.00 0.00 C ATOM 237 CD GLU A 17 -21.697 15.028 -0.742 1.00 0.00 C ATOM 238 OE1 GLU A 17 -21.513 15.751 0.258 1.00 0.00 O ATOM 239 OE2 GLU A 17 -22.657 14.239 -0.903 1.00 0.00 O ATOM 0 H GLU A 17 -21.981 16.670 -3.503 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.347 17.845 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.408 16.418 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.238 16.553 -1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.169 14.835 -2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.911 14.327 -1.704 1.00 0.00 H new ATOM 246 N ASN A 18 -19.555 19.180 -3.569 1.00 0.00 N ATOM 247 CA ASN A 18 -18.692 20.302 -3.967 1.00 0.00 C ATOM 248 C ASN A 18 -19.342 21.702 -3.824 1.00 0.00 C ATOM 249 O ASN A 18 -18.759 22.688 -4.277 1.00 0.00 O ATOM 250 CB ASN A 18 -18.169 20.033 -5.391 1.00 0.00 C ATOM 251 CG ASN A 18 -17.079 18.973 -5.407 1.00 0.00 C ATOM 252 OD1 ASN A 18 -15.926 19.225 -5.116 1.00 0.00 O ATOM 253 ND2 ASN A 18 -17.389 17.758 -5.788 1.00 0.00 N ATOM 0 H ASN A 18 -19.842 18.595 -4.354 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.859 20.345 -3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.995 19.713 -6.026 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -17.781 20.959 -5.815 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.667 17.039 -5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.352 17.531 -6.035 1.00 0.00 H new ATOM 260 N TYR A 19 -20.545 21.805 -3.244 1.00 0.00 N ATOM 261 CA TYR A 19 -21.340 23.036 -3.166 1.00 0.00 C ATOM 262 C TYR A 19 -21.931 23.335 -1.775 1.00 0.00 C ATOM 263 O TYR A 19 -22.668 24.317 -1.643 1.00 0.00 O ATOM 264 CB TYR A 19 -22.378 23.041 -4.307 1.00 0.00 C ATOM 265 CG TYR A 19 -21.724 23.320 -5.650 1.00 0.00 C ATOM 266 CD1 TYR A 19 -21.643 24.644 -6.117 1.00 0.00 C ATOM 267 CD2 TYR A 19 -21.094 22.283 -6.366 1.00 0.00 C ATOM 268 CE1 TYR A 19 -20.914 24.943 -7.285 1.00 0.00 C ATOM 269 CE2 TYR A 19 -20.326 22.580 -7.509 1.00 0.00 C ATOM 270 CZ TYR A 19 -20.237 23.911 -7.966 1.00 0.00 C ATOM 271 OH TYR A 19 -19.560 24.193 -9.110 1.00 0.00 O ATOM 0 H TYR A 19 -21.005 21.009 -2.803 1.00 0.00 H new ATOM 0 HA TYR A 19 -20.664 23.879 -3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.887 22.078 -4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -23.138 23.796 -4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -22.142 25.436 -5.578 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -21.200 21.259 -6.038 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -20.874 25.956 -7.656 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.807 21.791 -8.033 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.147 23.374 -9.456 1.00 0.00 H new ATOM 281 N CYS A 20 -21.558 22.596 -0.725 1.00 0.00 N ATOM 282 CA CYS A 20 -21.851 22.960 0.664 1.00 0.00 C ATOM 283 C CYS A 20 -20.624 22.739 1.562 1.00 0.00 C ATOM 284 O CYS A 20 -19.825 21.845 1.299 1.00 0.00 O ATOM 285 CB CYS A 20 -23.088 22.195 1.128 1.00 0.00 C ATOM 286 SG CYS A 20 -23.892 22.918 2.578 1.00 0.00 S ATOM 0 H CYS A 20 -21.040 21.722 -0.817 1.00 0.00 H new ATOM 0 HA CYS A 20 -22.075 24.024 0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -23.806 22.153 0.309 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -22.804 21.168 1.356 1.00 0.00 H new ATOM 291 N ASN A 21 -20.417 23.606 2.562 1.00 0.00 N ATOM 292 CA ASN A 21 -19.146 23.715 3.301 1.00 0.00 C ATOM 293 C ASN A 21 -19.125 22.906 4.602 1.00 0.00 C ATOM 294 O ASN A 21 -18.608 21.772 4.569 1.00 0.00 O ATOM 295 CB ASN A 21 -18.807 25.217 3.468 1.00 0.00 C ATOM 296 CG ASN A 21 -18.558 25.976 2.168 1.00 0.00 C ATOM 297 OD1 ASN A 21 -18.686 27.185 2.094 1.00 0.00 O ATOM 298 ND2 ASN A 21 -18.200 25.308 1.092 1.00 0.00 N ATOM 299 OXT ASN A 21 -19.686 23.364 5.615 1.00 0.00 O ATOM 0 H ASN A 21 -21.131 24.258 2.886 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.348 23.249 2.723 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -19.626 25.701 4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -17.921 25.305 4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -18.035 25.803 0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -18.088 24.295 1.134 1.00 0.00 H new ATOM 307 N PHE B 1 -29.344 10.290 -8.654 1.00 0.00 N ATOM 308 CA PHE B 1 -29.342 9.972 -7.210 1.00 0.00 C ATOM 309 C PHE B 1 -30.765 9.958 -6.693 1.00 0.00 C ATOM 310 O PHE B 1 -31.273 8.869 -6.469 1.00 0.00 O ATOM 311 CB PHE B 1 -28.411 10.880 -6.392 1.00 0.00 C ATOM 312 CG PHE B 1 -28.634 10.869 -4.892 1.00 0.00 C ATOM 313 CD1 PHE B 1 -28.617 9.659 -4.172 1.00 0.00 C ATOM 314 CD2 PHE B 1 -28.886 12.081 -4.217 1.00 0.00 C ATOM 315 CE1 PHE B 1 -28.884 9.660 -2.791 1.00 0.00 C ATOM 316 CE2 PHE B 1 -29.153 12.078 -2.838 1.00 0.00 C ATOM 317 CZ PHE B 1 -29.163 10.867 -2.127 1.00 0.00 C ATOM 0 H1 PHE B 1 -28.448 9.977 -9.080 1.00 0.00 H new ATOM 0 H2 PHE B 1 -30.137 9.801 -9.116 1.00 0.00 H new ATOM 0 H3 PHE B 1 -29.448 11.317 -8.783 1.00 0.00 H new ATOM 0 HA PHE B 1 -28.922 8.974 -7.081 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -27.380 10.585 -6.590 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -28.524 11.903 -6.750 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -28.399 8.731 -4.680 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -28.874 13.014 -4.761 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -28.875 8.731 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -29.351 13.007 -2.324 1.00 0.00 H new ATOM 0 HZ PHE B 1 -29.385 10.863 -1.070 1.00 0.00 H new ATOM 329 N VAL B 2 -31.437 11.113 -6.617 1.00 0.00 N ATOM 330 CA VAL B 2 -32.909 11.134 -6.657 1.00 0.00 C ATOM 331 C VAL B 2 -33.390 10.731 -8.067 1.00 0.00 C ATOM 332 O VAL B 2 -32.581 10.626 -9.000 1.00 0.00 O ATOM 333 CB VAL B 2 -33.450 12.497 -6.165 1.00 0.00 C ATOM 334 CG1 VAL B 2 -33.560 13.545 -7.273 1.00 0.00 C ATOM 335 CG2 VAL B 2 -34.811 12.354 -5.478 1.00 0.00 C ATOM 0 H VAL B 2 -30.998 12.030 -6.529 1.00 0.00 H new ATOM 0 HA VAL B 2 -33.320 10.398 -5.966 1.00 0.00 H new ATOM 0 HB VAL B 2 -32.710 12.847 -5.445 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -33.946 14.476 -6.857 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -32.575 13.722 -7.706 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -34.237 13.186 -8.048 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -35.156 13.333 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -35.531 11.934 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -34.716 11.693 -4.617 1.00 0.00 H new ATOM 345 N ASN B 3 -34.683 10.438 -8.191 1.00 0.00 N ATOM 346 CA ASN B 3 -35.322 9.847 -9.368 1.00 0.00 C ATOM 347 C ASN B 3 -35.632 10.864 -10.485 1.00 0.00 C ATOM 348 O ASN B 3 -35.569 10.513 -11.663 1.00 0.00 O ATOM 349 CB ASN B 3 -36.621 9.153 -8.903 1.00 0.00 C ATOM 350 CG ASN B 3 -36.442 8.200 -7.729 1.00 0.00 C ATOM 351 OD1 ASN B 3 -36.170 8.597 -6.610 1.00 0.00 O ATOM 352 ND2 ASN B 3 -36.604 6.913 -7.924 1.00 0.00 N ATOM 0 H ASN B 3 -35.347 10.614 -7.437 1.00 0.00 H new ATOM 0 HA ASN B 3 -34.622 9.137 -9.808 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -37.347 9.917 -8.627 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -37.043 8.600 -9.742 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -36.502 6.262 -7.145 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -36.832 6.563 -8.854 1.00 0.00 H new ATOM 359 N GLN B 4 -36.010 12.093 -10.121 1.00 0.00 N ATOM 360 CA GLN B 4 -36.577 13.096 -11.025 1.00 0.00 C ATOM 361 C GLN B 4 -35.609 14.243 -11.350 1.00 0.00 C ATOM 362 O GLN B 4 -34.757 14.634 -10.554 1.00 0.00 O ATOM 363 CB GLN B 4 -37.946 13.582 -10.503 1.00 0.00 C ATOM 364 CG GLN B 4 -37.930 14.549 -9.302 1.00 0.00 C ATOM 365 CD GLN B 4 -37.717 13.900 -7.935 1.00 0.00 C ATOM 366 OE1 GLN B 4 -37.392 12.731 -7.787 1.00 0.00 O ATOM 367 NE2 GLN B 4 -37.891 14.652 -6.871 1.00 0.00 N ATOM 0 H GLN B 4 -35.927 12.426 -9.161 1.00 0.00 H new ATOM 0 HA GLN B 4 -36.746 12.609 -11.986 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -38.469 14.071 -11.325 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -38.534 12.707 -10.226 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -37.142 15.285 -9.462 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -38.875 15.092 -9.283 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -38.162 15.630 -6.976 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -37.755 14.258 -5.940 1.00 0.00 H new ATOM 376 N HIS B 5 -35.780 14.815 -12.540 1.00 0.00 N ATOM 377 CA HIS B 5 -34.828 15.744 -13.167 1.00 0.00 C ATOM 378 C HIS B 5 -35.235 17.217 -12.956 1.00 0.00 C ATOM 379 O HIS B 5 -35.116 18.051 -13.852 1.00 0.00 O ATOM 380 CB HIS B 5 -34.638 15.329 -14.643 1.00 0.00 C ATOM 381 CG HIS B 5 -34.752 13.832 -14.860 1.00 0.00 C ATOM 382 ND1 HIS B 5 -34.062 12.851 -14.140 1.00 0.00 N ATOM 383 CD2 HIS B 5 -35.707 13.219 -15.620 1.00 0.00 C ATOM 384 CE1 HIS B 5 -34.625 11.680 -14.473 1.00 0.00 C ATOM 385 NE2 HIS B 5 -35.604 11.868 -15.373 1.00 0.00 N ATOM 0 H HIS B 5 -36.605 14.644 -13.114 1.00 0.00 H new ATOM 0 HA HIS B 5 -33.854 15.677 -12.682 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -35.383 15.837 -15.256 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -33.660 15.666 -14.986 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -36.408 13.701 -16.286 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -34.332 10.720 -14.073 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -36.173 11.137 -15.800 1.00 0.00 H new ATOM 393 N LEU B 6 -35.843 17.514 -11.798 1.00 0.00 N ATOM 394 CA LEU B 6 -36.618 18.736 -11.557 1.00 0.00 C ATOM 395 C LEU B 6 -35.705 19.937 -11.261 1.00 0.00 C ATOM 396 O LEU B 6 -35.257 20.148 -10.133 1.00 0.00 O ATOM 397 CB LEU B 6 -37.675 18.450 -10.472 1.00 0.00 C ATOM 398 CG LEU B 6 -38.825 19.468 -10.324 1.00 0.00 C ATOM 399 CD1 LEU B 6 -38.398 20.818 -9.747 1.00 0.00 C ATOM 400 CD2 LEU B 6 -39.581 19.711 -11.633 1.00 0.00 C ATOM 0 H LEU B 6 -35.808 16.897 -10.987 1.00 0.00 H new ATOM 0 HA LEU B 6 -37.156 19.028 -12.459 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -38.113 17.473 -10.676 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -37.163 18.376 -9.512 1.00 0.00 H new ATOM 0 HG LEU B 6 -39.490 18.989 -9.605 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -39.265 21.474 -9.676 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -37.972 20.671 -8.754 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -37.652 21.272 -10.398 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -40.377 20.436 -11.464 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -38.892 20.097 -12.385 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -40.012 18.773 -11.983 1.00 0.00 H new ATOM 412 N CYS B 7 -35.461 20.713 -12.322 1.00 0.00 N ATOM 413 CA CYS B 7 -34.406 21.718 -12.421 1.00 0.00 C ATOM 414 C CYS B 7 -34.255 22.595 -11.169 1.00 0.00 C ATOM 415 O CYS B 7 -35.151 23.350 -10.783 1.00 0.00 O ATOM 416 CB CYS B 7 -34.649 22.526 -13.704 1.00 0.00 C ATOM 417 SG CYS B 7 -33.467 23.838 -14.113 1.00 0.00 S ATOM 0 H CYS B 7 -36.021 20.652 -13.172 1.00 0.00 H new ATOM 0 HA CYS B 7 -33.441 21.214 -12.479 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -34.676 21.827 -14.540 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -35.639 22.977 -13.633 1.00 0.00 H new ATOM 422 N GLY B 8 -33.091 22.470 -10.528 1.00 0.00 N ATOM 423 CA GLY B 8 -32.732 23.208 -9.323 1.00 0.00 C ATOM 424 C GLY B 8 -33.415 22.682 -8.059 1.00 0.00 C ATOM 425 O GLY B 8 -32.753 22.031 -7.251 1.00 0.00 O ATOM 0 H GLY B 8 -32.356 21.836 -10.843 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -31.651 23.164 -9.188 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -32.994 24.258 -9.458 1.00 0.00 H new ATOM 429 N SER B 9 -34.700 22.994 -7.854 1.00 0.00 N ATOM 430 CA SER B 9 -35.324 23.045 -6.513 1.00 0.00 C ATOM 431 C SER B 9 -35.119 21.774 -5.679 1.00 0.00 C ATOM 432 O SER B 9 -34.449 21.822 -4.649 1.00 0.00 O ATOM 433 CB SER B 9 -36.815 23.402 -6.614 1.00 0.00 C ATOM 434 OG SER B 9 -37.288 23.897 -5.381 1.00 0.00 O ATOM 0 H SER B 9 -35.344 23.220 -8.612 1.00 0.00 H new ATOM 0 HA SER B 9 -34.803 23.837 -5.975 1.00 0.00 H new ATOM 0 HB2 SER B 9 -36.964 24.149 -7.394 1.00 0.00 H new ATOM 0 HB3 SER B 9 -37.388 22.521 -6.903 1.00 0.00 H new ATOM 0 HG SER B 9 -37.624 23.154 -4.837 1.00 0.00 H new ATOM 440 N HIS B 10 -35.561 20.612 -6.177 1.00 0.00 N ATOM 441 CA HIS B 10 -35.447 19.321 -5.469 1.00 0.00 C ATOM 442 C HIS B 10 -33.993 18.920 -5.148 1.00 0.00 C ATOM 443 O HIS B 10 -33.760 18.049 -4.314 1.00 0.00 O ATOM 444 CB HIS B 10 -36.169 18.221 -6.276 1.00 0.00 C ATOM 445 CG HIS B 10 -37.663 18.400 -6.448 1.00 0.00 C ATOM 446 ND1 HIS B 10 -38.481 17.575 -7.230 1.00 0.00 N ATOM 447 CD2 HIS B 10 -38.453 19.325 -5.826 1.00 0.00 C ATOM 448 CE1 HIS B 10 -39.735 18.025 -7.058 1.00 0.00 C ATOM 449 NE2 HIS B 10 -39.745 19.077 -6.225 1.00 0.00 N ATOM 0 H HIS B 10 -36.012 20.536 -7.089 1.00 0.00 H new ATOM 0 HA HIS B 10 -35.932 19.441 -4.500 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.713 18.164 -7.264 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -35.991 17.263 -5.787 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -38.125 20.102 -5.151 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -40.612 17.600 -7.524 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -40.570 19.603 -5.937 1.00 0.00 H new ATOM 457 N LEU B 11 -33.001 19.538 -5.796 1.00 0.00 N ATOM 458 CA LEU B 11 -31.580 19.246 -5.616 1.00 0.00 C ATOM 459 C LEU B 11 -30.892 20.289 -4.722 1.00 0.00 C ATOM 460 O LEU B 11 -29.949 19.945 -4.015 1.00 0.00 O ATOM 461 CB LEU B 11 -30.906 19.065 -6.987 1.00 0.00 C ATOM 462 CG LEU B 11 -31.507 17.981 -7.915 1.00 0.00 C ATOM 463 CD1 LEU B 11 -31.871 16.673 -7.210 1.00 0.00 C ATOM 464 CD2 LEU B 11 -32.680 18.461 -8.772 1.00 0.00 C ATOM 0 H LEU B 11 -33.172 20.276 -6.479 1.00 0.00 H new ATOM 0 HA LEU B 11 -31.473 18.303 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -30.939 20.020 -7.512 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -29.855 18.828 -6.822 1.00 0.00 H new ATOM 0 HG LEU B 11 -30.677 17.767 -8.588 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -32.284 15.972 -7.935 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -30.978 16.243 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -32.611 16.871 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -33.039 17.639 -9.391 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -33.486 18.807 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -32.352 19.280 -9.412 1.00 0.00 H new ATOM 476 N VAL B 12 -31.421 21.517 -4.655 1.00 0.00 N ATOM 477 CA VAL B 12 -31.166 22.448 -3.540 1.00 0.00 C ATOM 478 C VAL B 12 -31.738 21.864 -2.240 1.00 0.00 C ATOM 479 O VAL B 12 -31.090 21.896 -1.197 1.00 0.00 O ATOM 480 CB VAL B 12 -31.765 23.841 -3.821 1.00 0.00 C ATOM 481 CG1 VAL B 12 -31.515 24.815 -2.663 1.00 0.00 C ATOM 482 CG2 VAL B 12 -31.159 24.474 -5.080 1.00 0.00 C ATOM 0 H VAL B 12 -32.039 21.897 -5.372 1.00 0.00 H new ATOM 0 HA VAL B 12 -30.088 22.573 -3.434 1.00 0.00 H new ATOM 0 HB VAL B 12 -32.835 23.678 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -31.953 25.784 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -31.972 24.424 -1.754 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -30.442 24.930 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -31.606 25.454 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -30.082 24.583 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -31.358 23.835 -5.940 1.00 0.00 H new ATOM 492 N GLU B 13 -32.920 21.252 -2.305 1.00 0.00 N ATOM 493 CA GLU B 13 -33.521 20.494 -1.200 1.00 0.00 C ATOM 494 C GLU B 13 -32.698 19.232 -0.856 1.00 0.00 C ATOM 495 O GLU B 13 -32.414 18.986 0.315 1.00 0.00 O ATOM 496 CB GLU B 13 -34.983 20.153 -1.545 1.00 0.00 C ATOM 497 CG GLU B 13 -35.889 21.394 -1.738 1.00 0.00 C ATOM 498 CD GLU B 13 -37.023 21.141 -2.745 1.00 0.00 C ATOM 499 OE1 GLU B 13 -37.641 20.062 -2.661 1.00 0.00 O ATOM 500 OE2 GLU B 13 -37.252 21.994 -3.634 1.00 0.00 O ATOM 0 H GLU B 13 -33.501 21.268 -3.143 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.512 21.114 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -35.001 19.557 -2.457 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.398 19.533 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -36.317 21.681 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.283 22.233 -2.080 1.00 0.00 H new ATOM 507 N ALA B 14 -32.195 18.481 -1.848 1.00 0.00 N ATOM 508 CA ALA B 14 -31.243 17.382 -1.607 1.00 0.00 C ATOM 509 C ALA B 14 -29.901 17.857 -1.016 1.00 0.00 C ATOM 510 O ALA B 14 -29.311 17.156 -0.198 1.00 0.00 O ATOM 511 CB ALA B 14 -31.020 16.583 -2.897 1.00 0.00 C ATOM 0 H ALA B 14 -32.433 18.615 -2.831 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.692 16.735 -0.853 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -30.315 15.774 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -31.969 16.166 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.618 17.241 -3.667 1.00 0.00 H new ATOM 517 N LEU B 15 -29.441 19.056 -1.376 1.00 0.00 N ATOM 518 CA LEU B 15 -28.278 19.710 -0.772 1.00 0.00 C ATOM 519 C LEU B 15 -28.489 20.010 0.718 1.00 0.00 C ATOM 520 O LEU B 15 -27.551 19.837 1.495 1.00 0.00 O ATOM 521 CB LEU B 15 -27.960 20.994 -1.559 1.00 0.00 C ATOM 522 CG LEU B 15 -26.792 20.821 -2.533 1.00 0.00 C ATOM 523 CD1 LEU B 15 -26.820 21.895 -3.618 1.00 0.00 C ATOM 524 CD2 LEU B 15 -25.469 20.934 -1.780 1.00 0.00 C ATOM 0 H LEU B 15 -29.876 19.612 -2.112 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.430 19.028 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -28.846 21.303 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -27.727 21.795 -0.858 1.00 0.00 H new ATOM 0 HG LEU B 15 -26.886 19.838 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -25.979 21.749 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -27.754 21.824 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -26.747 22.880 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -24.641 20.810 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -25.402 21.914 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -25.418 20.159 -1.016 1.00 0.00 H new ATOM 536 N TYR B 16 -29.699 20.383 1.156 1.00 0.00 N ATOM 537 CA TYR B 16 -30.029 20.396 2.587 1.00 0.00 C ATOM 538 C TYR B 16 -29.957 18.989 3.202 1.00 0.00 C ATOM 539 O TYR B 16 -29.354 18.842 4.260 1.00 0.00 O ATOM 540 CB TYR B 16 -31.403 21.041 2.855 1.00 0.00 C ATOM 541 CG TYR B 16 -31.378 22.552 3.008 1.00 0.00 C ATOM 542 CD1 TYR B 16 -30.715 23.124 4.114 1.00 0.00 C ATOM 543 CD2 TYR B 16 -32.024 23.386 2.074 1.00 0.00 C ATOM 544 CE1 TYR B 16 -30.691 24.520 4.291 1.00 0.00 C ATOM 545 CE2 TYR B 16 -32.018 24.785 2.255 1.00 0.00 C ATOM 546 CZ TYR B 16 -31.360 25.355 3.369 1.00 0.00 C ATOM 547 OH TYR B 16 -31.394 26.702 3.565 1.00 0.00 O ATOM 0 H TYR B 16 -30.461 20.678 0.545 1.00 0.00 H new ATOM 0 HA TYR B 16 -29.274 21.012 3.075 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -32.075 20.784 2.037 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -31.823 20.605 3.761 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -30.221 22.485 4.831 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -32.524 22.954 1.219 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -30.163 24.951 5.129 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -32.518 25.423 1.541 1.00 0.00 H new ATOM 0 HH TYR B 16 -31.894 27.126 2.837 1.00 0.00 H new ATOM 557 N LEU B 17 -30.518 17.958 2.559 1.00 0.00 N ATOM 558 CA LEU B 17 -30.510 16.581 3.087 1.00 0.00 C ATOM 559 C LEU B 17 -29.092 15.987 3.209 1.00 0.00 C ATOM 560 O LEU B 17 -28.842 15.191 4.109 1.00 0.00 O ATOM 561 CB LEU B 17 -31.403 15.678 2.212 1.00 0.00 C ATOM 562 CG LEU B 17 -32.897 16.053 2.194 1.00 0.00 C ATOM 563 CD1 LEU B 17 -33.620 15.201 1.151 1.00 0.00 C ATOM 564 CD2 LEU B 17 -33.571 15.821 3.548 1.00 0.00 C ATOM 0 H LEU B 17 -30.990 18.050 1.660 1.00 0.00 H new ATOM 0 HA LEU B 17 -30.911 16.625 4.100 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -31.026 15.703 1.189 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -31.307 14.650 2.562 1.00 0.00 H new ATOM 0 HG LEU B 17 -32.960 17.115 1.955 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -34.678 15.464 1.136 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -33.187 15.384 0.168 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -33.512 14.146 1.404 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -34.623 16.100 3.484 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -33.491 14.768 3.819 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -33.080 16.429 4.308 1.00 0.00 H new ATOM 576 N VAL B 18 -28.176 16.391 2.328 1.00 0.00 N ATOM 577 CA VAL B 18 -26.752 16.018 2.335 1.00 0.00 C ATOM 578 C VAL B 18 -25.956 16.827 3.375 1.00 0.00 C ATOM 579 O VAL B 18 -25.165 16.271 4.137 1.00 0.00 O ATOM 580 CB VAL B 18 -26.194 16.187 0.901 1.00 0.00 C ATOM 581 CG1 VAL B 18 -24.669 16.189 0.818 1.00 0.00 C ATOM 582 CG2 VAL B 18 -26.709 15.057 -0.006 1.00 0.00 C ATOM 0 H VAL B 18 -28.411 17.014 1.555 1.00 0.00 H new ATOM 0 HA VAL B 18 -26.647 14.975 2.635 1.00 0.00 H new ATOM 0 HB VAL B 18 -26.546 17.165 0.573 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -24.361 16.312 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -24.273 17.012 1.413 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -24.282 15.245 1.202 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -26.310 15.187 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -26.385 14.095 0.392 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -27.798 15.087 -0.042 1.00 0.00 H new ATOM 592 N CYS B 19 -26.164 18.147 3.430 1.00 0.00 N ATOM 593 CA CYS B 19 -25.301 19.066 4.182 1.00 0.00 C ATOM 594 C CYS B 19 -25.806 19.465 5.584 1.00 0.00 C ATOM 595 O CYS B 19 -25.005 19.787 6.473 1.00 0.00 O ATOM 596 CB CYS B 19 -25.098 20.310 3.319 1.00 0.00 C ATOM 597 SG CYS B 19 -23.831 21.437 3.935 1.00 0.00 S ATOM 0 H CYS B 19 -26.938 18.610 2.953 1.00 0.00 H new ATOM 0 HA CYS B 19 -24.371 18.535 4.382 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -24.832 19.999 2.309 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -26.043 20.848 3.248 1.00 0.00 H new ATOM 602 N GLY B 20 -27.121 19.479 5.794 1.00 0.00 N ATOM 603 CA GLY B 20 -27.759 20.025 6.989 1.00 0.00 C ATOM 604 C GLY B 20 -27.587 21.544 7.101 1.00 0.00 C ATOM 605 O GLY B 20 -28.206 22.307 6.366 1.00 0.00 O ATOM 0 H GLY B 20 -27.788 19.102 5.121 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -28.822 19.783 6.973 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -27.336 19.548 7.873 1.00 0.00 H new ATOM 609 N GLU B 21 -26.772 21.969 8.062 1.00 0.00 N ATOM 610 CA GLU B 21 -26.709 23.337 8.595 1.00 0.00 C ATOM 611 C GLU B 21 -26.042 24.381 7.677 1.00 0.00 C ATOM 612 O GLU B 21 -26.520 25.506 7.567 1.00 0.00 O ATOM 613 CB GLU B 21 -25.945 23.208 9.922 1.00 0.00 C ATOM 614 CG GLU B 21 -25.804 24.492 10.750 1.00 0.00 C ATOM 615 CD GLU B 21 -25.213 24.184 12.136 1.00 0.00 C ATOM 616 OE1 GLU B 21 -24.400 23.232 12.215 1.00 0.00 O ATOM 617 OE2 GLU B 21 -25.591 24.887 13.099 1.00 0.00 O ATOM 0 H GLU B 21 -26.105 21.345 8.515 1.00 0.00 H new ATOM 0 HA GLU B 21 -27.723 23.723 8.703 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -26.446 22.459 10.535 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -24.946 22.828 9.707 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -25.163 25.200 10.225 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -26.779 24.967 10.862 1.00 0.00 H new ATOM 624 N ARG B 22 -24.915 24.028 7.043 1.00 0.00 N ATOM 625 CA ARG B 22 -23.841 25.000 6.738 1.00 0.00 C ATOM 626 C ARG B 22 -24.104 25.994 5.596 1.00 0.00 C ATOM 627 O ARG B 22 -23.476 27.047 5.556 1.00 0.00 O ATOM 628 CB ARG B 22 -22.512 24.258 6.512 1.00 0.00 C ATOM 629 CG ARG B 22 -22.111 23.329 7.680 1.00 0.00 C ATOM 630 CD ARG B 22 -22.359 21.836 7.396 1.00 0.00 C ATOM 631 NE ARG B 22 -21.390 21.310 6.419 1.00 0.00 N ATOM 632 CZ ARG B 22 -21.377 20.128 5.830 1.00 0.00 C ATOM 633 NH1 ARG B 22 -22.303 19.231 6.019 1.00 0.00 N ATOM 634 NH2 ARG B 22 -20.427 19.812 5.008 1.00 0.00 N ATOM 0 H ARG B 22 -24.718 23.078 6.729 1.00 0.00 H new ATOM 0 HA ARG B 22 -23.798 25.636 7.622 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -22.587 23.667 5.599 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -21.720 24.990 6.354 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -21.055 23.477 7.904 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -22.669 23.618 8.571 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -22.286 21.270 8.325 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -23.372 21.699 7.017 1.00 0.00 H new ATOM 0 HE ARG B 22 -20.630 21.941 6.164 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -23.083 19.428 6.646 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -22.248 18.332 5.540 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -19.680 20.478 4.811 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -20.425 18.897 4.558 1.00 0.00 H new ATOM 648 N GLY B 23 -25.027 25.689 4.682 1.00 0.00 N ATOM 649 CA GLY B 23 -25.398 26.575 3.567 1.00 0.00 C ATOM 650 C GLY B 23 -24.488 26.508 2.326 1.00 0.00 C ATOM 651 O GLY B 23 -23.351 26.038 2.366 1.00 0.00 O ATOM 0 H GLY B 23 -25.546 24.811 4.692 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -26.416 26.335 3.261 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -25.408 27.602 3.932 1.00 0.00 H new ATOM 655 N PHE B 24 -25.041 26.905 1.175 1.00 0.00 N ATOM 656 CA PHE B 24 -24.498 26.552 -0.143 1.00 0.00 C ATOM 657 C PHE B 24 -23.574 27.626 -0.725 1.00 0.00 C ATOM 658 O PHE B 24 -23.908 28.813 -0.713 1.00 0.00 O ATOM 659 CB PHE B 24 -25.657 26.211 -1.097 1.00 0.00 C ATOM 660 CG PHE B 24 -26.727 25.328 -0.473 1.00 0.00 C ATOM 661 CD1 PHE B 24 -26.344 24.217 0.301 1.00 0.00 C ATOM 662 CD2 PHE B 24 -28.090 25.671 -0.570 1.00 0.00 C ATOM 663 CE1 PHE B 24 -27.303 23.476 1.009 1.00 0.00 C ATOM 664 CE2 PHE B 24 -29.054 24.908 0.110 1.00 0.00 C ATOM 665 CZ PHE B 24 -28.658 23.818 0.902 1.00 0.00 C ATOM 0 H PHE B 24 -25.881 27.482 1.130 1.00 0.00 H new ATOM 0 HA PHE B 24 -23.865 25.674 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -26.118 27.138 -1.439 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -25.255 25.711 -1.978 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -25.303 23.932 0.351 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -28.393 26.519 -1.166 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -26.999 22.648 1.632 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -30.101 25.160 0.024 1.00 0.00 H new ATOM 0 HZ PHE B 24 -29.401 23.240 1.431 1.00 0.00 H new ATOM 675 N PHE B 25 -22.425 27.212 -1.272 1.00 0.00 N ATOM 676 CA PHE B 25 -21.380 28.134 -1.725 1.00 0.00 C ATOM 677 C PHE B 25 -21.674 28.751 -3.099 1.00 0.00 C ATOM 678 O PHE B 25 -21.638 29.969 -3.210 1.00 0.00 O ATOM 679 CB PHE B 25 -19.988 27.486 -1.677 1.00 0.00 C ATOM 680 CG PHE B 25 -18.874 28.512 -1.847 1.00 0.00 C ATOM 681 CD1 PHE B 25 -18.369 28.829 -3.126 1.00 0.00 C ATOM 682 CD2 PHE B 25 -18.388 29.207 -0.722 1.00 0.00 C ATOM 683 CE1 PHE B 25 -17.397 29.836 -3.276 1.00 0.00 C ATOM 684 CE2 PHE B 25 -17.409 30.207 -0.870 1.00 0.00 C ATOM 685 CZ PHE B 25 -16.916 30.523 -2.148 1.00 0.00 C ATOM 0 H PHE B 25 -22.195 26.228 -1.412 1.00 0.00 H new ATOM 0 HA PHE B 25 -21.382 28.962 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -19.862 26.968 -0.726 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -19.911 26.734 -2.462 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -18.730 28.297 -3.994 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -18.769 28.971 0.260 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.021 30.081 -4.258 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -17.037 30.731 -0.002 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.168 31.293 -2.263 1.00 0.00 H new ATOM 695 N TYR B 26 -22.004 27.949 -4.118 1.00 0.00 N ATOM 696 CA TYR B 26 -22.352 28.384 -5.484 1.00 0.00 C ATOM 697 C TYR B 26 -21.417 29.433 -6.115 1.00 0.00 C ATOM 698 O TYR B 26 -21.676 30.635 -6.095 1.00 0.00 O ATOM 699 CB TYR B 26 -23.832 28.785 -5.573 1.00 0.00 C ATOM 700 CG TYR B 26 -24.781 27.604 -5.489 1.00 0.00 C ATOM 701 CD1 TYR B 26 -24.662 26.549 -6.413 1.00 0.00 C ATOM 702 CD2 TYR B 26 -25.800 27.567 -4.517 1.00 0.00 C ATOM 703 CE1 TYR B 26 -25.533 25.450 -6.358 1.00 0.00 C ATOM 704 CE2 TYR B 26 -26.706 26.487 -4.489 1.00 0.00 C ATOM 705 CZ TYR B 26 -26.577 25.432 -5.417 1.00 0.00 C ATOM 706 OH TYR B 26 -27.462 24.404 -5.407 1.00 0.00 O ATOM 0 H TYR B 26 -22.039 26.935 -4.013 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.188 27.505 -6.107 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -24.061 29.484 -4.768 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -24.002 29.313 -6.511 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -23.894 26.586 -7.171 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -25.887 28.365 -3.794 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -25.402 24.620 -7.037 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -27.499 26.467 -3.757 1.00 0.00 H new ATOM 0 HH TYR B 26 -27.793 24.266 -4.495 1.00 0.00 H new ATOM 716 N THR B 27 -20.363 28.923 -6.754 1.00 0.00 N ATOM 717 CA THR B 27 -19.507 29.668 -7.688 1.00 0.00 C ATOM 718 C THR B 27 -20.296 30.112 -8.945 1.00 0.00 C ATOM 719 O THR B 27 -21.167 29.357 -9.411 1.00 0.00 O ATOM 720 CB THR B 27 -18.303 28.794 -8.101 1.00 0.00 C ATOM 721 OG1 THR B 27 -18.737 27.646 -8.802 1.00 0.00 O ATOM 722 CG2 THR B 27 -17.500 28.225 -6.930 1.00 0.00 C ATOM 0 H THR B 27 -20.070 27.953 -6.635 1.00 0.00 H new ATOM 0 HA THR B 27 -19.151 30.565 -7.182 1.00 0.00 H new ATOM 0 HB THR B 27 -17.686 29.472 -8.690 1.00 0.00 H new ATOM 0 HG1 THR B 27 -17.960 27.105 -9.057 1.00 0.00 H new ATOM 0 HG21 THR B 27 -16.674 27.625 -7.312 1.00 0.00 H new ATOM 0 HG22 THR B 27 -17.105 29.043 -6.328 1.00 0.00 H new ATOM 0 HG23 THR B 27 -18.147 27.601 -6.314 1.00 0.00 H new ATOM 730 N PRO B 28 -19.996 31.282 -9.551 1.00 0.00 N ATOM 731 CA PRO B 28 -18.969 32.247 -9.155 1.00 0.00 C ATOM 732 C PRO B 28 -19.446 33.300 -8.132 1.00 0.00 C ATOM 733 O PRO B 28 -20.420 34.018 -8.360 1.00 0.00 O ATOM 734 CB PRO B 28 -18.546 32.916 -10.464 1.00 0.00 C ATOM 735 CG PRO B 28 -19.842 32.944 -11.276 1.00 0.00 C ATOM 736 CD PRO B 28 -20.575 31.678 -10.829 1.00 0.00 C ATOM 0 HA PRO B 28 -18.155 31.736 -8.641 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -18.155 33.919 -10.295 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -17.765 32.350 -10.972 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -20.426 33.840 -11.067 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -19.644 32.935 -12.348 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -21.644 31.866 -10.727 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -20.460 30.884 -11.567 1.00 0.00 H new ATOM 744 N LYS B 29 -18.675 33.442 -7.053 1.00 0.00 N ATOM 745 CA LYS B 29 -18.552 34.622 -6.169 1.00 0.00 C ATOM 746 C LYS B 29 -17.074 34.810 -5.797 1.00 0.00 C ATOM 747 O LYS B 29 -16.538 35.904 -5.937 1.00 0.00 O ATOM 748 CB LYS B 29 -19.415 34.457 -4.908 1.00 0.00 C ATOM 749 CG LYS B 29 -20.918 34.646 -5.179 1.00 0.00 C ATOM 750 CD LYS B 29 -21.787 34.347 -3.951 1.00 0.00 C ATOM 751 CE LYS B 29 -21.710 32.849 -3.654 1.00 0.00 C ATOM 752 NZ LYS B 29 -22.629 32.414 -2.578 1.00 0.00 N ATOM 0 H LYS B 29 -18.070 32.681 -6.743 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.911 35.507 -6.695 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -19.249 33.465 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -19.093 35.179 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -21.098 35.671 -5.504 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -21.219 33.994 -5.999 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -21.440 34.922 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -22.819 34.644 -4.136 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -21.939 32.294 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -20.688 32.594 -3.374 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -22.576 31.381 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -22.355 32.867 -1.683 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -23.602 32.688 -2.821 1.00 0.00 H new