USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 375 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= 0.871 K(o=1.8,f=-5.4!) USER MOD Set 1.2: B 10 HIS : no HD1:sc= 0.896 K(o=1.8,f=-6.3) USER MOD Set 2.1: A 18 ASN : amide:sc= 0.265 K(o=1,f=-1.4) USER MOD Set 2.2: A 19 TYR OH : rot 124:sc= 0.743 USER MOD Set 3.1: A 12 SER OG : rot 180:sc= 0.272 USER MOD Set 3.2: A 15 GLN : amide:sc= -0.838 X(o=-0.57,f=-0.67) USER MOD Set 4.1: A 1 GLY N :NH3+ 139:sc= 1.12 (180deg=-0.165) USER MOD Set 4.2: B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.0932 X(o=-0.093,f=-0.002) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00425 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.247 K(o=0.25,f=-0.61) USER MOD Single : B 1 PHE N :NH3+ 148:sc= 1.05 (180deg=-0.734) USER MOD Single : B 3 ASN : amide:sc= -0.0135 K(o=-0.014,f=-0.74) USER MOD Single : B 5 HIS : no HD1:sc= -0.587 K(o=-0.59,f=-7.6!) USER MOD Single : B 9 SER OG : rot -44:sc= 1.21 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot -130:sc= -0.0253 USER MOD Single : B 29 LYS NZ :NH3+ 158:sc= 1.29 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.747 26.761 -10.532 1.00 0.00 N ATOM 2 CA GLY A 1 -21.711 26.115 -9.625 1.00 0.00 C ATOM 3 C GLY A 1 -22.579 25.185 -10.431 1.00 0.00 C ATOM 4 O GLY A 1 -23.339 25.672 -11.246 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.650 27.765 -10.278 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.823 26.292 -10.448 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.087 26.684 -11.512 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.186 25.562 -8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.323 26.866 -9.126 1.00 0.00 H new ATOM 10 N ILE A 2 -22.453 23.871 -10.243 1.00 0.00 N ATOM 11 CA ILE A 2 -22.918 22.819 -11.181 1.00 0.00 C ATOM 12 C ILE A 2 -24.453 22.641 -11.334 1.00 0.00 C ATOM 13 O ILE A 2 -24.907 21.638 -11.881 1.00 0.00 O ATOM 14 CB ILE A 2 -22.206 21.503 -10.771 1.00 0.00 C ATOM 15 CG1 ILE A 2 -22.024 20.489 -11.917 1.00 0.00 C ATOM 16 CG2 ILE A 2 -22.925 20.826 -9.593 1.00 0.00 C ATOM 17 CD1 ILE A 2 -20.908 19.469 -11.649 1.00 0.00 C ATOM 0 H ILE A 2 -22.011 23.485 -9.409 1.00 0.00 H new ATOM 0 HA ILE A 2 -22.645 23.139 -12.187 1.00 0.00 H new ATOM 0 HB ILE A 2 -21.205 21.813 -10.472 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -22.962 19.958 -12.076 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -21.802 21.027 -12.838 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -22.403 19.906 -9.328 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.932 21.499 -8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -23.950 20.592 -9.879 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -20.831 18.784 -12.493 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -19.961 19.992 -11.518 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -21.139 18.906 -10.745 1.00 0.00 H new ATOM 29 N VAL A 3 -25.282 23.562 -10.830 1.00 0.00 N ATOM 30 CA VAL A 3 -26.732 23.343 -10.642 1.00 0.00 C ATOM 31 C VAL A 3 -27.504 23.024 -11.933 1.00 0.00 C ATOM 32 O VAL A 3 -28.483 22.285 -11.869 1.00 0.00 O ATOM 33 CB VAL A 3 -27.353 24.517 -9.859 1.00 0.00 C ATOM 34 CG1 VAL A 3 -27.366 25.820 -10.663 1.00 0.00 C ATOM 35 CG2 VAL A 3 -28.784 24.220 -9.393 1.00 0.00 C ATOM 0 H VAL A 3 -24.970 24.488 -10.537 1.00 0.00 H new ATOM 0 HA VAL A 3 -26.830 22.434 -10.048 1.00 0.00 H new ATOM 0 HB VAL A 3 -26.710 24.641 -8.988 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -27.814 26.613 -10.064 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -26.345 26.096 -10.925 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -27.949 25.680 -11.573 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -29.174 25.079 -8.847 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -29.415 24.023 -10.259 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -28.780 23.347 -8.741 1.00 0.00 H new ATOM 45 N GLU A 4 -27.044 23.460 -13.109 1.00 0.00 N ATOM 46 CA GLU A 4 -27.632 23.079 -14.409 1.00 0.00 C ATOM 47 C GLU A 4 -27.540 21.570 -14.723 1.00 0.00 C ATOM 48 O GLU A 4 -28.415 21.007 -15.381 1.00 0.00 O ATOM 49 CB GLU A 4 -26.961 23.905 -15.515 1.00 0.00 C ATOM 50 CG GLU A 4 -25.458 23.610 -15.687 1.00 0.00 C ATOM 51 CD GLU A 4 -24.690 24.884 -16.041 1.00 0.00 C ATOM 52 OE1 GLU A 4 -24.984 25.454 -17.113 1.00 0.00 O ATOM 53 OE2 GLU A 4 -23.852 25.302 -15.207 1.00 0.00 O ATOM 0 H GLU A 4 -26.248 24.092 -13.193 1.00 0.00 H new ATOM 0 HA GLU A 4 -28.699 23.295 -14.357 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -27.470 23.712 -16.459 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -27.091 24.964 -15.294 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -25.059 23.184 -14.766 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -25.317 22.865 -16.470 1.00 0.00 H new ATOM 60 N GLN A 5 -26.541 20.862 -14.185 1.00 0.00 N ATOM 61 CA GLN A 5 -26.478 19.398 -14.285 1.00 0.00 C ATOM 62 C GLN A 5 -27.577 18.725 -13.447 1.00 0.00 C ATOM 63 O GLN A 5 -28.022 17.634 -13.785 1.00 0.00 O ATOM 64 CB GLN A 5 -25.101 18.882 -13.851 1.00 0.00 C ATOM 65 CG GLN A 5 -23.906 19.506 -14.593 1.00 0.00 C ATOM 66 CD GLN A 5 -23.904 19.326 -16.106 1.00 0.00 C ATOM 67 OE1 GLN A 5 -23.402 20.144 -16.849 1.00 0.00 O ATOM 68 NE2 GLN A 5 -24.435 18.255 -16.655 1.00 0.00 N ATOM 0 H GLN A 5 -25.763 21.279 -13.675 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.642 19.138 -15.331 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -24.982 19.065 -12.783 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -25.074 17.802 -13.994 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -23.881 20.573 -14.372 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -22.988 19.076 -14.193 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -24.868 17.542 -16.068 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -24.414 18.138 -17.668 1.00 0.00 H new ATOM 77 N CYS A 6 -28.065 19.406 -12.406 1.00 0.00 N ATOM 78 CA CYS A 6 -29.273 19.076 -11.644 1.00 0.00 C ATOM 79 C CYS A 6 -30.561 19.685 -12.263 1.00 0.00 C ATOM 80 O CYS A 6 -31.552 19.920 -11.567 1.00 0.00 O ATOM 81 CB CYS A 6 -29.061 19.486 -10.181 1.00 0.00 C ATOM 82 SG CYS A 6 -27.632 18.747 -9.322 1.00 0.00 S ATOM 0 H CYS A 6 -27.605 20.245 -12.054 1.00 0.00 H new ATOM 0 HA CYS A 6 -29.435 17.999 -11.687 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -28.957 20.570 -10.143 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -29.962 19.232 -9.623 1.00 0.00 H new ATOM 87 N CYS A 7 -30.522 19.948 -13.573 1.00 0.00 N ATOM 88 CA CYS A 7 -31.639 20.259 -14.477 1.00 0.00 C ATOM 89 C CYS A 7 -31.596 19.384 -15.746 1.00 0.00 C ATOM 90 O CYS A 7 -32.630 19.131 -16.361 1.00 0.00 O ATOM 91 CB CYS A 7 -31.587 21.746 -14.854 1.00 0.00 C ATOM 92 SG CYS A 7 -31.791 22.887 -13.465 1.00 0.00 S ATOM 0 H CYS A 7 -29.633 19.949 -14.073 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.574 20.043 -13.960 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -30.632 21.951 -15.337 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -32.366 21.948 -15.589 1.00 0.00 H new ATOM 97 N ALA A 8 -30.409 18.894 -16.116 1.00 0.00 N ATOM 98 CA ALA A 8 -30.221 17.680 -16.905 1.00 0.00 C ATOM 99 C ALA A 8 -30.503 16.393 -16.081 1.00 0.00 C ATOM 100 O ALA A 8 -31.032 16.436 -14.968 1.00 0.00 O ATOM 101 CB ALA A 8 -28.789 17.728 -17.463 1.00 0.00 C ATOM 0 H ALA A 8 -29.530 19.346 -15.866 1.00 0.00 H new ATOM 0 HA ALA A 8 -30.939 17.640 -17.724 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -28.602 16.837 -18.062 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -28.670 18.615 -18.085 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -28.078 17.766 -16.638 1.00 0.00 H new ATOM 107 N SER A 9 -30.168 15.232 -16.655 1.00 0.00 N ATOM 108 CA SER A 9 -30.422 13.905 -16.084 1.00 0.00 C ATOM 109 C SER A 9 -29.860 13.735 -14.662 1.00 0.00 C ATOM 110 O SER A 9 -28.676 13.977 -14.446 1.00 0.00 O ATOM 111 CB SER A 9 -29.806 12.831 -16.990 1.00 0.00 C ATOM 112 OG SER A 9 -30.187 13.014 -18.347 1.00 0.00 O ATOM 0 H SER A 9 -29.697 15.189 -17.559 1.00 0.00 H new ATOM 0 HA SER A 9 -31.505 13.797 -16.020 1.00 0.00 H new ATOM 0 HB2 SER A 9 -28.720 12.864 -16.908 1.00 0.00 H new ATOM 0 HB3 SER A 9 -30.121 11.844 -16.652 1.00 0.00 H new ATOM 0 HG SER A 9 -29.777 12.315 -18.899 1.00 0.00 H new ATOM 118 N VAL A 10 -30.701 13.252 -13.731 1.00 0.00 N ATOM 119 CA VAL A 10 -30.471 13.080 -12.270 1.00 0.00 C ATOM 120 C VAL A 10 -28.998 13.121 -11.832 1.00 0.00 C ATOM 121 O VAL A 10 -28.232 12.173 -12.016 1.00 0.00 O ATOM 122 CB VAL A 10 -31.174 11.796 -11.767 1.00 0.00 C ATOM 123 CG1 VAL A 10 -30.710 11.254 -10.408 1.00 0.00 C ATOM 124 CG2 VAL A 10 -32.676 12.046 -11.577 1.00 0.00 C ATOM 0 H VAL A 10 -31.637 12.944 -13.993 1.00 0.00 H new ATOM 0 HA VAL A 10 -30.916 13.955 -11.797 1.00 0.00 H new ATOM 0 HB VAL A 10 -30.922 11.072 -12.542 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -31.274 10.354 -10.163 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -29.648 11.015 -10.455 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -30.878 12.008 -9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -33.155 11.133 -11.223 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -32.823 12.840 -10.845 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -33.119 12.343 -12.528 1.00 0.00 H new ATOM 134 N CYS A 11 -28.619 14.232 -11.199 1.00 0.00 N ATOM 135 CA CYS A 11 -27.241 14.517 -10.821 1.00 0.00 C ATOM 136 C CYS A 11 -26.697 13.621 -9.681 1.00 0.00 C ATOM 137 O CYS A 11 -27.424 13.047 -8.860 1.00 0.00 O ATOM 138 CB CYS A 11 -27.097 16.030 -10.577 1.00 0.00 C ATOM 139 SG CYS A 11 -28.010 16.739 -9.182 1.00 0.00 S ATOM 0 H CYS A 11 -29.273 14.968 -10.932 1.00 0.00 H new ATOM 0 HA CYS A 11 -26.587 14.245 -11.650 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.039 16.249 -10.433 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -27.410 16.549 -11.483 1.00 0.00 H new ATOM 144 N SER A 12 -25.371 13.456 -9.693 1.00 0.00 N ATOM 145 CA SER A 12 -24.616 12.565 -8.802 1.00 0.00 C ATOM 146 C SER A 12 -24.320 13.215 -7.448 1.00 0.00 C ATOM 147 O SER A 12 -24.208 14.435 -7.358 1.00 0.00 O ATOM 148 CB SER A 12 -23.278 12.159 -9.441 1.00 0.00 C ATOM 149 OG SER A 12 -23.381 12.004 -10.844 1.00 0.00 O ATOM 0 H SER A 12 -24.770 13.957 -10.347 1.00 0.00 H new ATOM 0 HA SER A 12 -25.244 11.688 -8.645 1.00 0.00 H new ATOM 0 HB2 SER A 12 -22.525 12.914 -9.215 1.00 0.00 H new ATOM 0 HB3 SER A 12 -22.935 11.224 -8.998 1.00 0.00 H new ATOM 0 HG SER A 12 -22.509 11.748 -11.210 1.00 0.00 H new ATOM 155 N LEU A 13 -24.055 12.395 -6.424 1.00 0.00 N ATOM 156 CA LEU A 13 -23.730 12.855 -5.067 1.00 0.00 C ATOM 157 C LEU A 13 -22.526 13.816 -5.067 1.00 0.00 C ATOM 158 O LEU A 13 -22.587 14.894 -4.488 1.00 0.00 O ATOM 159 CB LEU A 13 -23.454 11.642 -4.154 1.00 0.00 C ATOM 160 CG LEU A 13 -24.650 10.699 -3.896 1.00 0.00 C ATOM 161 CD1 LEU A 13 -24.989 9.773 -5.075 1.00 0.00 C ATOM 162 CD2 LEU A 13 -24.334 9.799 -2.703 1.00 0.00 C ATOM 0 H LEU A 13 -24.060 11.379 -6.515 1.00 0.00 H new ATOM 0 HA LEU A 13 -24.588 13.407 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -22.646 11.058 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -23.094 12.011 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 13 -25.505 11.353 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -25.840 9.145 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -25.239 10.374 -5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -24.129 9.143 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -25.176 9.132 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -23.444 9.208 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -24.157 10.414 -1.820 1.00 0.00 H new ATOM 174 N TYR A 14 -21.477 13.470 -5.819 1.00 0.00 N ATOM 175 CA TYR A 14 -20.270 14.289 -5.974 1.00 0.00 C ATOM 176 C TYR A 14 -20.548 15.711 -6.500 1.00 0.00 C ATOM 177 O TYR A 14 -19.823 16.639 -6.161 1.00 0.00 O ATOM 178 CB TYR A 14 -19.292 13.570 -6.920 1.00 0.00 C ATOM 179 CG TYR A 14 -19.199 12.062 -6.741 1.00 0.00 C ATOM 180 CD1 TYR A 14 -18.646 11.520 -5.563 1.00 0.00 C ATOM 181 CD2 TYR A 14 -19.689 11.202 -7.746 1.00 0.00 C ATOM 182 CE1 TYR A 14 -18.581 10.123 -5.389 1.00 0.00 C ATOM 183 CE2 TYR A 14 -19.629 9.806 -7.572 1.00 0.00 C ATOM 184 CZ TYR A 14 -19.070 9.263 -6.395 1.00 0.00 C ATOM 185 OH TYR A 14 -18.998 7.916 -6.237 1.00 0.00 O ATOM 0 H TYR A 14 -21.442 12.598 -6.347 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.840 14.409 -4.980 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -19.588 13.779 -7.948 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -18.299 13.997 -6.781 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -18.271 12.177 -4.792 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -20.111 11.615 -8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -18.157 9.711 -4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -20.011 9.150 -8.340 1.00 0.00 H new ATOM 0 HH TYR A 14 -19.381 7.473 -7.023 1.00 0.00 H new ATOM 195 N GLN A 15 -21.604 15.900 -7.304 1.00 0.00 N ATOM 196 CA GLN A 15 -22.021 17.207 -7.827 1.00 0.00 C ATOM 197 C GLN A 15 -22.661 18.089 -6.732 1.00 0.00 C ATOM 198 O GLN A 15 -22.673 19.314 -6.856 1.00 0.00 O ATOM 199 CB GLN A 15 -22.976 16.998 -9.027 1.00 0.00 C ATOM 200 CG GLN A 15 -22.426 16.048 -10.118 1.00 0.00 C ATOM 201 CD GLN A 15 -23.347 15.936 -11.337 1.00 0.00 C ATOM 202 OE1 GLN A 15 -23.959 16.889 -11.783 1.00 0.00 O ATOM 203 NE2 GLN A 15 -23.523 14.769 -11.927 1.00 0.00 N ATOM 0 H GLN A 15 -22.202 15.134 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.137 17.744 -8.170 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -23.922 16.601 -8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -23.191 17.966 -9.479 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -21.447 16.403 -10.441 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -22.280 15.057 -9.688 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -23.029 13.945 -11.585 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -24.153 14.691 -12.725 1.00 0.00 H new ATOM 212 N LEU A 16 -23.172 17.481 -5.656 1.00 0.00 N ATOM 213 CA LEU A 16 -23.700 18.178 -4.484 1.00 0.00 C ATOM 214 C LEU A 16 -22.545 18.544 -3.536 1.00 0.00 C ATOM 215 O LEU A 16 -22.324 19.720 -3.246 1.00 0.00 O ATOM 216 CB LEU A 16 -24.776 17.299 -3.809 1.00 0.00 C ATOM 217 CG LEU A 16 -25.848 16.714 -4.753 1.00 0.00 C ATOM 218 CD1 LEU A 16 -26.907 15.972 -3.943 1.00 0.00 C ATOM 219 CD2 LEU A 16 -26.582 17.755 -5.605 1.00 0.00 C ATOM 0 H LEU A 16 -23.230 16.466 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 16 -24.180 19.112 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -24.278 16.475 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -25.276 17.892 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 16 -25.298 16.057 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.660 15.562 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.437 15.160 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -27.382 16.662 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -27.316 17.256 -6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.089 18.467 -4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.864 18.284 -6.231 1.00 0.00 H new ATOM 231 N GLU A 17 -21.746 17.545 -3.147 1.00 0.00 N ATOM 232 CA GLU A 17 -20.560 17.671 -2.280 1.00 0.00 C ATOM 233 C GLU A 17 -19.559 18.734 -2.756 1.00 0.00 C ATOM 234 O GLU A 17 -18.974 19.445 -1.940 1.00 0.00 O ATOM 235 CB GLU A 17 -19.835 16.316 -2.232 1.00 0.00 C ATOM 236 CG GLU A 17 -20.621 15.230 -1.489 1.00 0.00 C ATOM 237 CD GLU A 17 -20.834 15.598 -0.018 1.00 0.00 C ATOM 238 OE1 GLU A 17 -19.935 15.277 0.791 1.00 0.00 O ATOM 239 OE2 GLU A 17 -21.885 16.217 0.262 1.00 0.00 O ATOM 0 H GLU A 17 -21.912 16.582 -3.439 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.921 17.982 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.640 15.980 -3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.867 16.448 -1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.587 15.084 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.085 14.283 -1.554 1.00 0.00 H new ATOM 246 N ASN A 18 -19.439 18.911 -4.080 1.00 0.00 N ATOM 247 CA ASN A 18 -18.651 19.960 -4.741 1.00 0.00 C ATOM 248 C ASN A 18 -18.903 21.383 -4.179 1.00 0.00 C ATOM 249 O ASN A 18 -18.066 22.256 -4.404 1.00 0.00 O ATOM 250 CB ASN A 18 -18.951 19.854 -6.262 1.00 0.00 C ATOM 251 CG ASN A 18 -18.176 20.754 -7.230 1.00 0.00 C ATOM 252 OD1 ASN A 18 -18.602 20.990 -8.356 1.00 0.00 O ATOM 253 ND2 ASN A 18 -17.043 21.315 -6.864 1.00 0.00 N ATOM 0 H ASN A 18 -19.909 18.300 -4.748 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.591 19.799 -4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.778 18.820 -6.562 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -20.013 20.054 -6.404 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.545 21.927 -7.510 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -16.663 21.138 -5.934 1.00 0.00 H new ATOM 260 N TYR A 19 -20.006 21.633 -3.457 1.00 0.00 N ATOM 261 CA TYR A 19 -20.324 22.939 -2.866 1.00 0.00 C ATOM 262 C TYR A 19 -20.614 22.929 -1.356 1.00 0.00 C ATOM 263 O TYR A 19 -20.980 23.984 -0.838 1.00 0.00 O ATOM 264 CB TYR A 19 -21.458 23.591 -3.675 1.00 0.00 C ATOM 265 CG TYR A 19 -21.109 23.703 -5.142 1.00 0.00 C ATOM 266 CD1 TYR A 19 -20.258 24.737 -5.583 1.00 0.00 C ATOM 267 CD2 TYR A 19 -21.491 22.672 -6.021 1.00 0.00 C ATOM 268 CE1 TYR A 19 -19.762 24.726 -6.900 1.00 0.00 C ATOM 269 CE2 TYR A 19 -20.968 22.645 -7.322 1.00 0.00 C ATOM 270 CZ TYR A 19 -20.092 23.657 -7.755 1.00 0.00 C ATOM 271 OH TYR A 19 -19.537 23.571 -8.986 1.00 0.00 O ATOM 0 H TYR A 19 -20.712 20.922 -3.265 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.418 23.542 -2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -22.369 23.004 -3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -21.666 24.583 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -19.987 25.537 -4.910 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -22.181 21.908 -5.696 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.134 25.531 -7.252 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -21.239 21.844 -7.994 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.092 22.704 -9.084 1.00 0.00 H new ATOM 281 N CYS A 20 -20.465 21.804 -0.649 1.00 0.00 N ATOM 282 CA CYS A 20 -20.690 21.753 0.801 1.00 0.00 C ATOM 283 C CYS A 20 -19.691 22.651 1.570 1.00 0.00 C ATOM 284 O CYS A 20 -18.532 22.805 1.172 1.00 0.00 O ATOM 285 CB CYS A 20 -20.645 20.295 1.280 1.00 0.00 C ATOM 286 SG CYS A 20 -21.054 20.054 3.034 1.00 0.00 S ATOM 0 H CYS A 20 -20.188 20.912 -1.059 1.00 0.00 H new ATOM 0 HA CYS A 20 -21.681 22.154 1.015 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -21.337 19.708 0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -19.647 19.898 1.097 1.00 0.00 H new ATOM 291 N ASN A 21 -20.148 23.281 2.657 1.00 0.00 N ATOM 292 CA ASN A 21 -19.325 24.101 3.564 1.00 0.00 C ATOM 293 C ASN A 21 -19.464 23.585 4.999 1.00 0.00 C ATOM 294 O ASN A 21 -18.981 22.469 5.261 1.00 0.00 O ATOM 295 CB ASN A 21 -19.674 25.609 3.397 1.00 0.00 C ATOM 296 CG ASN A 21 -19.271 26.300 2.099 1.00 0.00 C ATOM 297 OD1 ASN A 21 -19.599 27.452 1.858 1.00 0.00 O ATOM 298 ND2 ASN A 21 -18.546 25.654 1.218 1.00 0.00 N ATOM 299 OXT ASN A 21 -20.113 24.258 5.825 1.00 0.00 O ATOM 0 H ASN A 21 -21.126 23.236 2.942 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.270 24.010 3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -20.753 25.716 3.511 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.211 26.152 4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -18.267 26.114 0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -18.261 24.691 1.399 1.00 0.00 H new TER 306 ASN A 21 ATOM 307 N PHE B 1 -30.619 8.818 -8.062 1.00 0.00 N ATOM 308 CA PHE B 1 -30.228 9.405 -6.766 1.00 0.00 C ATOM 309 C PHE B 1 -31.521 9.735 -6.040 1.00 0.00 C ATOM 310 O PHE B 1 -32.109 8.802 -5.511 1.00 0.00 O ATOM 311 CB PHE B 1 -29.236 10.571 -6.914 1.00 0.00 C ATOM 312 CG PHE B 1 -28.984 11.317 -5.618 1.00 0.00 C ATOM 313 CD1 PHE B 1 -28.439 10.645 -4.504 1.00 0.00 C ATOM 314 CD2 PHE B 1 -29.358 12.670 -5.504 1.00 0.00 C ATOM 315 CE1 PHE B 1 -28.283 11.321 -3.282 1.00 0.00 C ATOM 316 CE2 PHE B 1 -29.214 13.336 -4.276 1.00 0.00 C ATOM 317 CZ PHE B 1 -28.671 12.667 -3.166 1.00 0.00 C ATOM 0 H1 PHE B 1 -29.909 9.062 -8.782 1.00 0.00 H new ATOM 0 H2 PHE B 1 -30.679 7.784 -7.971 1.00 0.00 H new ATOM 0 H3 PHE B 1 -31.545 9.194 -8.348 1.00 0.00 H new ATOM 0 HA PHE B 1 -29.655 8.702 -6.162 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -28.289 10.187 -7.293 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -29.617 11.270 -7.658 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -28.141 9.610 -4.590 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -29.755 13.195 -6.360 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -27.864 10.805 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -29.522 14.367 -4.184 1.00 0.00 H new ATOM 0 HZ PHE B 1 -28.552 13.186 -2.226 1.00 0.00 H new ATOM 329 N VAL B 2 -32.065 10.947 -6.206 1.00 0.00 N ATOM 330 CA VAL B 2 -33.523 11.116 -6.331 1.00 0.00 C ATOM 331 C VAL B 2 -33.989 10.526 -7.683 1.00 0.00 C ATOM 332 O VAL B 2 -33.151 10.066 -8.472 1.00 0.00 O ATOM 333 CB VAL B 2 -33.902 12.598 -6.090 1.00 0.00 C ATOM 334 CG1 VAL B 2 -33.882 13.471 -7.350 1.00 0.00 C ATOM 335 CG2 VAL B 2 -35.259 12.708 -5.392 1.00 0.00 C ATOM 0 H VAL B 2 -31.530 11.814 -6.257 1.00 0.00 H new ATOM 0 HA VAL B 2 -34.060 10.558 -5.564 1.00 0.00 H new ATOM 0 HB VAL B 2 -33.119 12.991 -5.441 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -34.160 14.492 -7.089 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -32.881 13.466 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -34.592 13.076 -8.077 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -35.503 13.759 -5.234 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -36.026 12.247 -6.014 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -35.216 12.197 -4.430 1.00 0.00 H new ATOM 345 N ASN B 3 -35.298 10.477 -7.936 1.00 0.00 N ATOM 346 CA ASN B 3 -35.920 9.760 -9.059 1.00 0.00 C ATOM 347 C ASN B 3 -36.179 10.617 -10.315 1.00 0.00 C ATOM 348 O ASN B 3 -36.563 10.066 -11.344 1.00 0.00 O ATOM 349 CB ASN B 3 -37.243 9.136 -8.568 1.00 0.00 C ATOM 350 CG ASN B 3 -37.067 8.145 -7.432 1.00 0.00 C ATOM 351 OD1 ASN B 3 -36.630 8.474 -6.344 1.00 0.00 O ATOM 352 ND2 ASN B 3 -37.389 6.892 -7.643 1.00 0.00 N ATOM 0 H ASN B 3 -35.981 10.951 -7.346 1.00 0.00 H new ATOM 0 HA ASN B 3 -35.205 9.001 -9.377 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -37.911 9.933 -8.242 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -37.730 8.634 -9.404 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -37.273 6.203 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -37.756 6.606 -8.551 1.00 0.00 H new ATOM 359 N GLN B 4 -36.007 11.938 -10.240 1.00 0.00 N ATOM 360 CA GLN B 4 -36.527 12.893 -11.223 1.00 0.00 C ATOM 361 C GLN B 4 -35.542 14.023 -11.558 1.00 0.00 C ATOM 362 O GLN B 4 -34.878 14.571 -10.681 1.00 0.00 O ATOM 363 CB GLN B 4 -37.895 13.440 -10.751 1.00 0.00 C ATOM 364 CG GLN B 4 -37.909 14.397 -9.535 1.00 0.00 C ATOM 365 CD GLN B 4 -37.772 13.744 -8.157 1.00 0.00 C ATOM 366 OE1 GLN B 4 -37.512 12.563 -7.994 1.00 0.00 O ATOM 367 NE2 GLN B 4 -37.918 14.496 -7.091 1.00 0.00 N ATOM 0 H GLN B 4 -35.493 12.383 -9.480 1.00 0.00 H new ATOM 0 HA GLN B 4 -36.665 12.352 -12.159 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -38.356 13.959 -11.591 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -38.533 12.588 -10.514 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -37.098 15.115 -9.655 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -38.841 14.962 -9.555 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -38.136 15.487 -7.192 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -37.814 14.089 -6.162 1.00 0.00 H new ATOM 376 N HIS B 5 -35.505 14.423 -12.833 1.00 0.00 N ATOM 377 CA HIS B 5 -34.647 15.492 -13.383 1.00 0.00 C ATOM 378 C HIS B 5 -35.190 16.911 -13.091 1.00 0.00 C ATOM 379 O HIS B 5 -35.097 17.815 -13.919 1.00 0.00 O ATOM 380 CB HIS B 5 -34.437 15.259 -14.895 1.00 0.00 C ATOM 381 CG HIS B 5 -34.407 13.812 -15.335 1.00 0.00 C ATOM 382 ND1 HIS B 5 -33.521 12.824 -14.895 1.00 0.00 N ATOM 383 CD2 HIS B 5 -35.289 13.248 -16.210 1.00 0.00 C ATOM 384 CE1 HIS B 5 -33.886 11.695 -15.521 1.00 0.00 C ATOM 385 NE2 HIS B 5 -34.946 11.919 -16.315 1.00 0.00 N ATOM 0 H HIS B 5 -36.096 13.995 -13.546 1.00 0.00 H new ATOM 0 HA HIS B 5 -33.683 15.441 -12.877 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -35.234 15.769 -15.437 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -33.499 15.729 -15.190 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -36.099 13.747 -16.721 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -33.396 10.740 -15.403 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -35.416 11.224 -16.896 1.00 0.00 H new ATOM 393 N LEU B 6 -35.882 17.099 -11.961 1.00 0.00 N ATOM 394 CA LEU B 6 -36.685 18.297 -11.701 1.00 0.00 C ATOM 395 C LEU B 6 -35.791 19.483 -11.313 1.00 0.00 C ATOM 396 O LEU B 6 -35.294 19.577 -10.189 1.00 0.00 O ATOM 397 CB LEU B 6 -37.792 17.964 -10.686 1.00 0.00 C ATOM 398 CG LEU B 6 -38.951 18.977 -10.556 1.00 0.00 C ATOM 399 CD1 LEU B 6 -38.557 20.292 -9.886 1.00 0.00 C ATOM 400 CD2 LEU B 6 -39.622 19.297 -11.896 1.00 0.00 C ATOM 0 H LEU B 6 -35.900 16.421 -11.199 1.00 0.00 H new ATOM 0 HA LEU B 6 -37.193 18.620 -12.610 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -38.216 16.996 -10.953 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -37.330 17.850 -9.705 1.00 0.00 H new ATOM 0 HG LEU B 6 -39.661 18.462 -9.909 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -39.426 20.948 -9.833 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -38.191 20.092 -8.879 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -37.772 20.776 -10.467 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -40.428 20.014 -11.737 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -38.887 19.723 -12.579 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -40.030 18.382 -12.326 1.00 0.00 H new ATOM 412 N CYS B 7 -35.598 20.369 -12.291 1.00 0.00 N ATOM 413 CA CYS B 7 -34.577 21.407 -12.299 1.00 0.00 C ATOM 414 C CYS B 7 -34.520 22.272 -11.035 1.00 0.00 C ATOM 415 O CYS B 7 -35.496 22.923 -10.650 1.00 0.00 O ATOM 416 CB CYS B 7 -34.773 22.261 -13.554 1.00 0.00 C ATOM 417 SG CYS B 7 -33.648 23.669 -13.752 1.00 0.00 S ATOM 0 H CYS B 7 -36.175 20.380 -13.132 1.00 0.00 H new ATOM 0 HA CYS B 7 -33.609 20.907 -12.312 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -34.670 21.616 -14.426 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -35.796 22.638 -13.555 1.00 0.00 H new ATOM 422 N GLY B 8 -33.335 22.312 -10.423 1.00 0.00 N ATOM 423 CA GLY B 8 -33.048 23.128 -9.251 1.00 0.00 C ATOM 424 C GLY B 8 -33.702 22.582 -7.984 1.00 0.00 C ATOM 425 O GLY B 8 -33.016 21.963 -7.176 1.00 0.00 O ATOM 0 H GLY B 8 -32.534 21.765 -10.738 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -31.969 23.182 -9.105 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -33.397 24.146 -9.427 1.00 0.00 H new ATOM 429 N SER B 9 -35.003 22.826 -7.800 1.00 0.00 N ATOM 430 CA SER B 9 -35.661 22.802 -6.483 1.00 0.00 C ATOM 431 C SER B 9 -35.410 21.511 -5.701 1.00 0.00 C ATOM 432 O SER B 9 -34.785 21.551 -4.648 1.00 0.00 O ATOM 433 CB SER B 9 -37.165 23.081 -6.618 1.00 0.00 C ATOM 434 OG SER B 9 -37.675 23.616 -5.415 1.00 0.00 O ATOM 0 H SER B 9 -35.638 23.048 -8.566 1.00 0.00 H new ATOM 0 HA SER B 9 -35.205 23.602 -5.899 1.00 0.00 H new ATOM 0 HB2 SER B 9 -37.340 23.779 -7.437 1.00 0.00 H new ATOM 0 HB3 SER B 9 -37.692 22.160 -6.866 1.00 0.00 H new ATOM 0 HG SER B 9 -37.315 23.113 -4.655 1.00 0.00 H new ATOM 440 N HIS B 10 -35.756 20.346 -6.259 1.00 0.00 N ATOM 441 CA HIS B 10 -35.607 19.050 -5.574 1.00 0.00 C ATOM 442 C HIS B 10 -34.144 18.662 -5.271 1.00 0.00 C ATOM 443 O HIS B 10 -33.901 17.826 -4.403 1.00 0.00 O ATOM 444 CB HIS B 10 -36.314 17.959 -6.399 1.00 0.00 C ATOM 445 CG HIS B 10 -37.809 18.128 -6.571 1.00 0.00 C ATOM 446 ND1 HIS B 10 -38.609 17.347 -7.414 1.00 0.00 N ATOM 447 CD2 HIS B 10 -38.616 19.006 -5.905 1.00 0.00 C ATOM 448 CE1 HIS B 10 -39.868 17.781 -7.236 1.00 0.00 C ATOM 449 NE2 HIS B 10 -39.900 18.780 -6.341 1.00 0.00 N ATOM 0 H HIS B 10 -36.147 20.271 -7.198 1.00 0.00 H new ATOM 0 HA HIS B 10 -36.078 19.148 -4.596 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -35.855 17.923 -7.387 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -36.128 16.995 -5.926 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -38.305 19.738 -5.175 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -40.734 17.381 -7.743 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -40.733 19.284 -6.037 1.00 0.00 H new ATOM 457 N LEU B 11 -33.162 19.251 -5.960 1.00 0.00 N ATOM 458 CA LEU B 11 -31.733 18.980 -5.760 1.00 0.00 C ATOM 459 C LEU B 11 -31.047 20.048 -4.881 1.00 0.00 C ATOM 460 O LEU B 11 -30.075 19.750 -4.187 1.00 0.00 O ATOM 461 CB LEU B 11 -31.060 18.789 -7.133 1.00 0.00 C ATOM 462 CG LEU B 11 -31.409 17.492 -7.908 1.00 0.00 C ATOM 463 CD1 LEU B 11 -31.145 16.230 -7.080 1.00 0.00 C ATOM 464 CD2 LEU B 11 -32.830 17.428 -8.474 1.00 0.00 C ATOM 0 H LEU B 11 -33.341 19.944 -6.687 1.00 0.00 H new ATOM 0 HA LEU B 11 -31.619 18.054 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -31.321 19.641 -7.761 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -29.980 18.819 -6.989 1.00 0.00 H new ATOM 0 HG LEU B 11 -30.733 17.529 -8.762 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -31.405 15.349 -7.667 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -30.090 16.187 -6.809 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -31.752 16.255 -6.175 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -32.971 16.482 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -33.550 17.503 -7.659 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -32.982 18.253 -9.170 1.00 0.00 H new ATOM 476 N VAL B 12 -31.614 21.255 -4.830 1.00 0.00 N ATOM 477 CA VAL B 12 -31.383 22.258 -3.781 1.00 0.00 C ATOM 478 C VAL B 12 -31.912 21.728 -2.442 1.00 0.00 C ATOM 479 O VAL B 12 -31.190 21.732 -1.450 1.00 0.00 O ATOM 480 CB VAL B 12 -32.046 23.592 -4.197 1.00 0.00 C ATOM 481 CG1 VAL B 12 -32.155 24.610 -3.061 1.00 0.00 C ATOM 482 CG2 VAL B 12 -31.245 24.246 -5.332 1.00 0.00 C ATOM 0 H VAL B 12 -32.270 21.575 -5.542 1.00 0.00 H new ATOM 0 HA VAL B 12 -30.317 22.448 -3.655 1.00 0.00 H new ATOM 0 HB VAL B 12 -33.056 23.329 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -32.630 25.519 -3.431 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -32.754 24.190 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -31.159 24.848 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -31.719 25.185 -5.618 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -30.228 24.442 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -31.218 23.576 -6.191 1.00 0.00 H new ATOM 492 N GLU B 13 -33.125 21.175 -2.423 1.00 0.00 N ATOM 493 CA GLU B 13 -33.715 20.465 -1.283 1.00 0.00 C ATOM 494 C GLU B 13 -32.874 19.239 -0.884 1.00 0.00 C ATOM 495 O GLU B 13 -32.531 19.096 0.290 1.00 0.00 O ATOM 496 CB GLU B 13 -35.163 20.061 -1.613 1.00 0.00 C ATOM 497 CG GLU B 13 -36.126 21.255 -1.807 1.00 0.00 C ATOM 498 CD GLU B 13 -37.269 20.918 -2.783 1.00 0.00 C ATOM 499 OE1 GLU B 13 -37.780 19.779 -2.714 1.00 0.00 O ATOM 500 OE2 GLU B 13 -37.615 21.767 -3.637 1.00 0.00 O ATOM 0 H GLU B 13 -33.748 21.209 -3.230 1.00 0.00 H new ATOM 0 HA GLU B 13 -33.724 21.138 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -35.162 19.458 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.544 19.428 -0.811 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -36.545 21.544 -0.843 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.569 22.113 -2.183 1.00 0.00 H new ATOM 507 N ALA B 14 -32.422 18.414 -1.840 1.00 0.00 N ATOM 508 CA ALA B 14 -31.475 17.329 -1.556 1.00 0.00 C ATOM 509 C ALA B 14 -30.163 17.851 -0.937 1.00 0.00 C ATOM 510 O ALA B 14 -29.645 17.245 -0.001 1.00 0.00 O ATOM 511 CB ALA B 14 -31.207 16.514 -2.823 1.00 0.00 C ATOM 0 H ALA B 14 -32.699 18.479 -2.819 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.932 16.676 -0.813 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -30.503 15.713 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -32.142 16.085 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.785 17.163 -3.591 1.00 0.00 H new ATOM 517 N LEU B 15 -29.653 19.001 -1.389 1.00 0.00 N ATOM 518 CA LEU B 15 -28.501 19.659 -0.771 1.00 0.00 C ATOM 519 C LEU B 15 -28.783 20.181 0.648 1.00 0.00 C ATOM 520 O LEU B 15 -27.889 20.100 1.492 1.00 0.00 O ATOM 521 CB LEU B 15 -27.995 20.775 -1.697 1.00 0.00 C ATOM 522 CG LEU B 15 -26.793 20.316 -2.528 1.00 0.00 C ATOM 523 CD1 LEU B 15 -26.583 21.253 -3.713 1.00 0.00 C ATOM 524 CD2 LEU B 15 -25.523 20.328 -1.674 1.00 0.00 C ATOM 0 H LEU B 15 -30.029 19.501 -2.195 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.720 18.908 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -28.799 21.089 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -27.716 21.644 -1.101 1.00 0.00 H new ATOM 0 HG LEU B 15 -26.993 19.305 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -25.726 20.916 -4.296 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -27.473 21.250 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -26.400 22.264 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -24.676 20.000 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -25.339 21.339 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -25.648 19.654 -0.826 1.00 0.00 H new ATOM 536 N TYR B 16 -29.995 20.640 0.972 1.00 0.00 N ATOM 537 CA TYR B 16 -30.366 20.898 2.371 1.00 0.00 C ATOM 538 C TYR B 16 -30.447 19.611 3.210 1.00 0.00 C ATOM 539 O TYR B 16 -30.074 19.639 4.382 1.00 0.00 O ATOM 540 CB TYR B 16 -31.670 21.700 2.467 1.00 0.00 C ATOM 541 CG TYR B 16 -31.522 23.165 2.098 1.00 0.00 C ATOM 542 CD1 TYR B 16 -30.799 24.030 2.945 1.00 0.00 C ATOM 543 CD2 TYR B 16 -32.117 23.670 0.927 1.00 0.00 C ATOM 544 CE1 TYR B 16 -30.644 25.388 2.607 1.00 0.00 C ATOM 545 CE2 TYR B 16 -31.980 25.030 0.596 1.00 0.00 C ATOM 546 CZ TYR B 16 -31.231 25.887 1.425 1.00 0.00 C ATOM 547 OH TYR B 16 -31.073 27.189 1.080 1.00 0.00 O ATOM 0 H TYR B 16 -30.731 20.840 0.295 1.00 0.00 H new ATOM 0 HA TYR B 16 -29.563 21.502 2.795 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -32.414 21.245 1.813 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -32.054 21.629 3.485 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -30.362 23.649 3.857 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -32.680 23.012 0.281 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -30.078 26.045 3.250 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -32.450 25.418 -0.296 1.00 0.00 H new ATOM 0 HH TYR B 16 -31.542 27.363 0.237 1.00 0.00 H new ATOM 557 N LEU B 17 -30.849 18.476 2.630 1.00 0.00 N ATOM 558 CA LEU B 17 -30.788 17.165 3.295 1.00 0.00 C ATOM 559 C LEU B 17 -29.346 16.646 3.488 1.00 0.00 C ATOM 560 O LEU B 17 -29.129 15.797 4.351 1.00 0.00 O ATOM 561 CB LEU B 17 -31.647 16.141 2.523 1.00 0.00 C ATOM 562 CG LEU B 17 -33.155 16.454 2.467 1.00 0.00 C ATOM 563 CD1 LEU B 17 -33.838 15.511 1.474 1.00 0.00 C ATOM 564 CD2 LEU B 17 -33.831 16.269 3.827 1.00 0.00 C ATOM 0 H LEU B 17 -31.227 18.437 1.684 1.00 0.00 H new ATOM 0 HA LEU B 17 -31.195 17.296 4.298 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -31.269 16.071 1.503 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -31.513 15.161 2.981 1.00 0.00 H new ATOM 0 HG LEU B 17 -33.255 17.495 2.161 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -34.904 15.733 1.435 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -33.403 15.648 0.484 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -33.694 14.479 1.794 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -34.893 16.501 3.740 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -33.710 15.237 4.156 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -33.372 16.938 4.555 1.00 0.00 H new ATOM 576 N VAL B 18 -28.368 17.154 2.724 1.00 0.00 N ATOM 577 CA VAL B 18 -26.952 16.736 2.798 1.00 0.00 C ATOM 578 C VAL B 18 -26.090 17.669 3.665 1.00 0.00 C ATOM 579 O VAL B 18 -25.426 17.188 4.579 1.00 0.00 O ATOM 580 CB VAL B 18 -26.393 16.519 1.375 1.00 0.00 C ATOM 581 CG1 VAL B 18 -24.880 16.303 1.337 1.00 0.00 C ATOM 582 CG2 VAL B 18 -27.023 15.270 0.735 1.00 0.00 C ATOM 0 H VAL B 18 -28.536 17.878 2.025 1.00 0.00 H new ATOM 0 HA VAL B 18 -26.907 15.780 3.319 1.00 0.00 H new ATOM 0 HB VAL B 18 -26.638 17.433 0.834 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -24.559 16.157 0.306 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -24.377 17.176 1.754 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -24.623 15.421 1.925 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -26.618 15.131 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -26.794 14.395 1.343 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -28.104 15.398 0.675 1.00 0.00 H new ATOM 592 N CYS B 19 -26.136 18.992 3.451 1.00 0.00 N ATOM 593 CA CYS B 19 -25.326 19.980 4.192 1.00 0.00 C ATOM 594 C CYS B 19 -26.137 21.157 4.778 1.00 0.00 C ATOM 595 O CYS B 19 -25.575 22.207 5.081 1.00 0.00 O ATOM 596 CB CYS B 19 -24.117 20.442 3.349 1.00 0.00 C ATOM 597 SG CYS B 19 -22.883 19.143 3.060 1.00 0.00 S ATOM 0 H CYS B 19 -26.744 19.415 2.750 1.00 0.00 H new ATOM 0 HA CYS B 19 -24.943 19.464 5.072 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -24.476 20.809 2.387 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -23.636 21.281 3.851 1.00 0.00 H new ATOM 602 N GLY B 20 -27.454 21.018 4.990 1.00 0.00 N ATOM 603 CA GLY B 20 -28.346 22.117 5.419 1.00 0.00 C ATOM 604 C GLY B 20 -28.081 22.750 6.796 1.00 0.00 C ATOM 605 O GLY B 20 -28.660 23.786 7.105 1.00 0.00 O ATOM 0 H GLY B 20 -27.940 20.130 4.868 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -28.291 22.907 4.670 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -29.369 21.742 5.413 1.00 0.00 H new ATOM 609 N GLU B 21 -27.183 22.180 7.602 1.00 0.00 N ATOM 610 CA GLU B 21 -26.651 22.804 8.822 1.00 0.00 C ATOM 611 C GLU B 21 -25.866 24.101 8.527 1.00 0.00 C ATOM 612 O GLU B 21 -25.905 25.043 9.316 1.00 0.00 O ATOM 613 CB GLU B 21 -25.768 21.748 9.499 1.00 0.00 C ATOM 614 CG GLU B 21 -25.094 22.191 10.807 1.00 0.00 C ATOM 615 CD GLU B 21 -24.014 21.180 11.206 1.00 0.00 C ATOM 616 OE1 GLU B 21 -23.145 20.905 10.347 1.00 0.00 O ATOM 617 OE2 GLU B 21 -24.070 20.668 12.344 1.00 0.00 O ATOM 0 H GLU B 21 -26.796 21.253 7.424 1.00 0.00 H new ATOM 0 HA GLU B 21 -27.466 23.112 9.477 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -26.377 20.868 9.704 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -24.993 21.443 8.796 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -24.651 23.179 10.681 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -25.838 22.274 11.600 1.00 0.00 H new ATOM 624 N ARG B 22 -25.184 24.168 7.372 1.00 0.00 N ATOM 625 CA ARG B 22 -24.434 25.350 6.895 1.00 0.00 C ATOM 626 C ARG B 22 -24.906 25.873 5.533 1.00 0.00 C ATOM 627 O ARG B 22 -24.730 27.052 5.235 1.00 0.00 O ATOM 628 CB ARG B 22 -22.927 25.038 6.824 1.00 0.00 C ATOM 629 CG ARG B 22 -22.257 24.681 8.167 1.00 0.00 C ATOM 630 CD ARG B 22 -22.202 23.178 8.481 1.00 0.00 C ATOM 631 NE ARG B 22 -21.377 22.437 7.507 1.00 0.00 N ATOM 632 CZ ARG B 22 -21.389 21.139 7.270 1.00 0.00 C ATOM 633 NH1 ARG B 22 -22.126 20.302 7.940 1.00 0.00 N ATOM 634 NH2 ARG B 22 -20.655 20.638 6.326 1.00 0.00 N ATOM 0 H ARG B 22 -25.135 23.382 6.724 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.628 26.137 7.624 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -22.778 24.209 6.132 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -22.415 25.902 6.401 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -21.241 25.075 8.166 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -22.794 25.186 8.970 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -21.798 23.032 9.483 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -23.213 22.771 8.483 1.00 0.00 H new ATOM 0 HE ARG B 22 -20.723 22.991 6.954 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -22.731 20.641 8.688 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -22.099 19.307 7.717 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -20.064 21.248 5.762 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -20.669 19.634 6.148 1.00 0.00 H new ATOM 648 N GLY B 23 -25.495 25.018 4.694 1.00 0.00 N ATOM 649 CA GLY B 23 -25.818 25.321 3.299 1.00 0.00 C ATOM 650 C GLY B 23 -24.705 24.898 2.333 1.00 0.00 C ATOM 651 O GLY B 23 -24.030 23.892 2.550 1.00 0.00 O ATOM 0 H GLY B 23 -25.766 24.075 4.972 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -26.744 24.815 3.026 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -25.997 26.391 3.195 1.00 0.00 H new ATOM 655 N PHE B 24 -24.569 25.629 1.222 1.00 0.00 N ATOM 656 CA PHE B 24 -23.730 25.242 0.078 1.00 0.00 C ATOM 657 C PHE B 24 -23.350 26.442 -0.811 1.00 0.00 C ATOM 658 O PHE B 24 -24.174 27.309 -1.100 1.00 0.00 O ATOM 659 CB PHE B 24 -24.443 24.153 -0.747 1.00 0.00 C ATOM 660 CG PHE B 24 -25.943 24.352 -0.887 1.00 0.00 C ATOM 661 CD1 PHE B 24 -26.816 23.770 0.056 1.00 0.00 C ATOM 662 CD2 PHE B 24 -26.463 25.175 -1.902 1.00 0.00 C ATOM 663 CE1 PHE B 24 -28.197 24.021 -0.005 1.00 0.00 C ATOM 664 CE2 PHE B 24 -27.848 25.416 -1.970 1.00 0.00 C ATOM 665 CZ PHE B 24 -28.709 24.850 -1.015 1.00 0.00 C ATOM 0 H PHE B 24 -25.045 26.521 1.088 1.00 0.00 H new ATOM 0 HA PHE B 24 -22.796 24.844 0.475 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -23.999 24.119 -1.742 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -24.259 23.184 -0.283 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -26.421 23.128 0.829 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -25.800 25.622 -2.628 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -28.862 23.578 0.722 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -28.249 26.037 -2.757 1.00 0.00 H new ATOM 0 HZ PHE B 24 -29.769 25.054 -1.058 1.00 0.00 H new ATOM 675 N PHE B 25 -22.091 26.502 -1.253 1.00 0.00 N ATOM 676 CA PHE B 25 -21.482 27.746 -1.718 1.00 0.00 C ATOM 677 C PHE B 25 -21.993 28.244 -3.076 1.00 0.00 C ATOM 678 O PHE B 25 -22.336 29.416 -3.175 1.00 0.00 O ATOM 679 CB PHE B 25 -19.955 27.617 -1.724 1.00 0.00 C ATOM 680 CG PHE B 25 -19.258 28.944 -1.964 1.00 0.00 C ATOM 681 CD1 PHE B 25 -18.853 29.312 -3.261 1.00 0.00 C ATOM 682 CD2 PHE B 25 -19.041 29.830 -0.891 1.00 0.00 C ATOM 683 CE1 PHE B 25 -18.230 30.552 -3.481 1.00 0.00 C ATOM 684 CE2 PHE B 25 -18.417 31.073 -1.112 1.00 0.00 C ATOM 685 CZ PHE B 25 -18.007 31.432 -2.408 1.00 0.00 C ATOM 0 H PHE B 25 -21.470 25.694 -1.298 1.00 0.00 H new ATOM 0 HA PHE B 25 -21.790 28.510 -1.004 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -19.625 27.205 -0.770 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -19.657 26.909 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -19.022 28.639 -4.089 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -19.354 29.555 0.105 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.921 30.830 -4.478 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -18.254 31.750 -0.287 1.00 0.00 H new ATOM 0 HZ PHE B 25 -17.522 32.382 -2.579 1.00 0.00 H new ATOM 695 N TYR B 26 -22.032 27.389 -4.105 1.00 0.00 N ATOM 696 CA TYR B 26 -22.317 27.750 -5.504 1.00 0.00 C ATOM 697 C TYR B 26 -21.460 28.922 -6.027 1.00 0.00 C ATOM 698 O TYR B 26 -21.834 30.090 -5.963 1.00 0.00 O ATOM 699 CB TYR B 26 -23.825 27.993 -5.718 1.00 0.00 C ATOM 700 CG TYR B 26 -24.777 26.808 -5.570 1.00 0.00 C ATOM 701 CD1 TYR B 26 -24.321 25.480 -5.411 1.00 0.00 C ATOM 702 CD2 TYR B 26 -26.163 27.051 -5.648 1.00 0.00 C ATOM 703 CE1 TYR B 26 -25.236 24.415 -5.321 1.00 0.00 C ATOM 704 CE2 TYR B 26 -27.084 25.988 -5.580 1.00 0.00 C ATOM 705 CZ TYR B 26 -26.621 24.666 -5.420 1.00 0.00 C ATOM 706 OH TYR B 26 -27.498 23.631 -5.389 1.00 0.00 O ATOM 0 H TYR B 26 -21.860 26.391 -3.985 1.00 0.00 H new ATOM 0 HA TYR B 26 -22.024 26.891 -6.108 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -24.141 28.763 -5.014 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -23.957 28.403 -6.719 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -23.261 25.281 -5.358 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -26.523 28.063 -5.761 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -24.879 23.406 -5.176 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -28.144 26.185 -5.650 1.00 0.00 H new ATOM 0 HH TYR B 26 -28.122 23.708 -6.141 1.00 0.00 H new ATOM 716 N THR B 27 -20.308 28.587 -6.612 1.00 0.00 N ATOM 717 CA THR B 27 -19.521 29.494 -7.468 1.00 0.00 C ATOM 718 C THR B 27 -20.332 29.881 -8.724 1.00 0.00 C ATOM 719 O THR B 27 -21.171 29.072 -9.142 1.00 0.00 O ATOM 720 CB THR B 27 -18.207 28.803 -7.892 1.00 0.00 C ATOM 721 OG1 THR B 27 -18.475 27.705 -8.750 1.00 0.00 O ATOM 722 CG2 THR B 27 -17.411 28.205 -6.728 1.00 0.00 C ATOM 0 H THR B 27 -19.884 27.665 -6.506 1.00 0.00 H new ATOM 0 HA THR B 27 -19.290 30.397 -6.903 1.00 0.00 H new ATOM 0 HB THR B 27 -17.631 29.597 -8.368 1.00 0.00 H new ATOM 0 HG1 THR B 27 -17.631 27.280 -9.010 1.00 0.00 H new ATOM 0 HG21 THR B 27 -16.503 27.739 -7.110 1.00 0.00 H new ATOM 0 HG22 THR B 27 -17.145 28.995 -6.025 1.00 0.00 H new ATOM 0 HG23 THR B 27 -18.018 27.456 -6.219 1.00 0.00 H new ATOM 730 N PRO B 28 -20.090 31.021 -9.401 1.00 0.00 N ATOM 731 CA PRO B 28 -19.110 32.057 -9.084 1.00 0.00 C ATOM 732 C PRO B 28 -19.611 33.087 -8.057 1.00 0.00 C ATOM 733 O PRO B 28 -20.665 33.698 -8.216 1.00 0.00 O ATOM 734 CB PRO B 28 -18.803 32.733 -10.422 1.00 0.00 C ATOM 735 CG PRO B 28 -20.134 32.651 -11.167 1.00 0.00 C ATOM 736 CD PRO B 28 -20.733 31.332 -10.674 1.00 0.00 C ATOM 0 HA PRO B 28 -18.231 31.613 -8.616 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -18.480 33.765 -10.287 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -18.008 32.218 -10.960 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -20.779 33.498 -10.933 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -19.991 32.649 -12.248 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -21.812 31.421 -10.549 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -20.561 30.536 -11.398 1.00 0.00 H new ATOM 744 N LYS B 29 -18.778 33.313 -7.043 1.00 0.00 N ATOM 745 CA LYS B 29 -18.686 34.470 -6.134 1.00 0.00 C ATOM 746 C LYS B 29 -17.195 34.705 -5.839 1.00 0.00 C ATOM 747 O LYS B 29 -16.692 35.804 -6.038 1.00 0.00 O ATOM 748 CB LYS B 29 -19.479 34.214 -4.840 1.00 0.00 C ATOM 749 CG LYS B 29 -20.999 34.334 -5.039 1.00 0.00 C ATOM 750 CD LYS B 29 -21.799 33.953 -3.790 1.00 0.00 C ATOM 751 CE LYS B 29 -21.707 32.441 -3.558 1.00 0.00 C ATOM 752 NZ LYS B 29 -22.580 31.998 -2.450 1.00 0.00 N ATOM 0 H LYS B 29 -18.070 32.617 -6.807 1.00 0.00 H new ATOM 0 HA LYS B 29 -19.121 35.356 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -19.244 33.218 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -19.160 34.924 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -21.243 35.358 -5.321 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -21.303 33.694 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -21.413 34.488 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -22.841 34.249 -3.910 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -21.986 31.916 -4.472 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -20.675 32.170 -3.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -22.785 30.984 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -22.100 32.163 -1.542 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -23.470 32.535 -2.474 1.00 0.00 H new ATOM 766 N ALA B 30 -16.508 33.621 -5.462 1.00 0.00 N ATOM 767 CA ALA B 30 -15.391 33.076 -6.250 1.00 0.00 C ATOM 768 C ALA B 30 -15.928 31.904 -7.102 1.00 0.00 C ATOM 769 O ALA B 30 -15.464 31.675 -8.232 1.00 0.00 O ATOM 770 CB ALA B 30 -14.274 32.650 -5.288 1.00 0.00 C ATOM 771 OXT ALA B 30 -16.933 31.311 -6.645 1.00 0.00 O ATOM 0 H ALA B 30 -16.707 33.098 -4.609 1.00 0.00 H new ATOM 0 HA ALA B 30 -14.970 33.817 -6.930 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.438 32.244 -5.858 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -13.937 33.515 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -14.652 31.889 -4.606 1.00 0.00 H new TER 777 ALA B 30