USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 GLY N :NH3+ 173:sc= 0.75 (180deg=0) USER MOD Set 1.2: A 5 GLN : amide:sc= 0.577 K(o=0.62,f=-2.5) USER MOD Set 1.3: A 18 ASN : amide:sc= -0.706 K(o=0.62,f=-3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00533 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.621 K(o=-0.62,f=-4.3!) USER MOD Single : A 19 TYR OH : rot 110:sc= -0.795 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ -142:sc= 0.0401 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.26) USER MOD Single : B 4 GLN : amide:sc= 0.0527 X(o=0.053,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-0.31) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0801 X(o=-0.08,f=-0.22) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -72:sc= 0.279 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.298 20.347 -11.589 1.00 0.00 N ATOM 2 CA GLY A 1 -21.208 21.131 -10.708 1.00 0.00 C ATOM 3 C GLY A 1 -22.655 20.890 -11.076 1.00 0.00 C ATOM 4 O GLY A 1 -23.028 19.775 -11.494 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.312 20.617 -11.398 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.422 19.332 -11.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.524 20.544 -12.585 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.042 20.853 -9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.979 22.193 -10.794 1.00 0.00 H new ATOM 10 N ILE A 2 -23.494 21.919 -10.864 1.00 0.00 N ATOM 11 CA ILE A 2 -24.805 21.719 -10.216 1.00 0.00 C ATOM 12 C ILE A 2 -25.944 22.635 -10.670 1.00 0.00 C ATOM 13 O ILE A 2 -27.118 22.359 -10.410 1.00 0.00 O ATOM 14 CB ILE A 2 -24.484 22.080 -8.756 1.00 0.00 C ATOM 15 CG1 ILE A 2 -25.450 21.602 -7.676 1.00 0.00 C ATOM 16 CG2 ILE A 2 -24.131 23.596 -8.582 1.00 0.00 C ATOM 17 CD1 ILE A 2 -24.731 21.747 -6.335 1.00 0.00 C ATOM 0 H ILE A 2 -23.294 22.884 -11.127 1.00 0.00 H new ATOM 0 HA ILE A 2 -25.170 20.716 -10.437 1.00 0.00 H new ATOM 0 HB ILE A 2 -23.597 21.476 -8.568 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -26.365 22.194 -7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -25.738 20.565 -7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -23.912 23.801 -7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -23.259 23.838 -9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -24.976 24.205 -8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -25.389 21.415 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -23.827 21.138 -6.339 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -24.464 22.792 -6.177 1.00 0.00 H new ATOM 29 N VAL A 3 -25.619 23.729 -11.324 1.00 0.00 N ATOM 30 CA VAL A 3 -26.495 24.911 -11.347 1.00 0.00 C ATOM 31 C VAL A 3 -27.735 24.639 -12.215 1.00 0.00 C ATOM 32 O VAL A 3 -28.869 25.030 -11.940 1.00 0.00 O ATOM 33 CB VAL A 3 -25.688 26.105 -11.871 1.00 0.00 C ATOM 34 CG1 VAL A 3 -26.542 27.361 -12.157 1.00 0.00 C ATOM 35 CG2 VAL A 3 -24.590 26.536 -10.890 1.00 0.00 C ATOM 0 H VAL A 3 -24.754 23.838 -11.853 1.00 0.00 H new ATOM 0 HA VAL A 3 -26.851 25.138 -10.342 1.00 0.00 H new ATOM 0 HB VAL A 3 -25.262 25.736 -12.804 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -25.900 28.162 -12.524 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -27.295 27.126 -12.909 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -27.035 27.683 -11.239 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -24.045 27.384 -11.304 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -25.042 26.823 -9.941 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -23.901 25.707 -10.727 1.00 0.00 H new ATOM 45 N GLU A 4 -27.402 23.935 -13.276 1.00 0.00 N ATOM 46 CA GLU A 4 -28.109 23.672 -14.505 1.00 0.00 C ATOM 47 C GLU A 4 -27.995 22.244 -15.003 1.00 0.00 C ATOM 48 O GLU A 4 -28.928 21.646 -15.522 1.00 0.00 O ATOM 49 CB GLU A 4 -27.493 24.687 -15.487 1.00 0.00 C ATOM 50 CG GLU A 4 -25.951 24.624 -15.691 1.00 0.00 C ATOM 51 CD GLU A 4 -25.423 25.875 -16.411 1.00 0.00 C ATOM 52 OE1 GLU A 4 -25.866 26.325 -17.478 1.00 0.00 O ATOM 53 OE2 GLU A 4 -24.421 26.522 -15.768 1.00 0.00 O ATOM 0 H GLU A 4 -26.495 23.468 -13.293 1.00 0.00 H new ATOM 0 HA GLU A 4 -29.186 23.784 -14.378 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -27.969 24.551 -16.458 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -27.749 25.689 -15.144 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -25.459 24.526 -14.723 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -25.696 23.736 -16.269 1.00 0.00 H new ATOM 61 N GLN A 5 -26.792 21.749 -14.766 1.00 0.00 N ATOM 62 CA GLN A 5 -26.287 20.399 -14.835 1.00 0.00 C ATOM 63 C GLN A 5 -27.309 19.410 -14.235 1.00 0.00 C ATOM 64 O GLN A 5 -27.635 18.370 -14.811 1.00 0.00 O ATOM 65 CB GLN A 5 -25.005 20.463 -14.002 1.00 0.00 C ATOM 66 CG GLN A 5 -24.002 21.576 -14.416 1.00 0.00 C ATOM 67 CD GLN A 5 -22.573 21.079 -14.593 1.00 0.00 C ATOM 68 OE1 GLN A 5 -21.651 21.432 -13.857 1.00 0.00 O ATOM 69 NE2 GLN A 5 -22.312 20.226 -15.557 1.00 0.00 N ATOM 0 H GLN A 5 -26.045 22.382 -14.480 1.00 0.00 H new ATOM 0 HA GLN A 5 -26.106 20.050 -15.852 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -25.277 20.611 -12.957 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.500 19.499 -14.066 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -24.339 22.027 -15.350 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -24.013 22.362 -13.661 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -23.058 19.917 -16.181 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.364 19.872 -15.682 1.00 0.00 H new ATOM 78 N CYS A 6 -27.862 19.815 -13.079 1.00 0.00 N ATOM 79 CA CYS A 6 -28.920 19.143 -12.321 1.00 0.00 C ATOM 80 C CYS A 6 -30.349 19.663 -12.502 1.00 0.00 C ATOM 81 O CYS A 6 -31.298 18.953 -12.224 1.00 0.00 O ATOM 82 CB CYS A 6 -28.552 19.302 -10.862 1.00 0.00 C ATOM 83 SG CYS A 6 -27.127 18.355 -10.278 1.00 0.00 S ATOM 0 H CYS A 6 -27.559 20.676 -12.624 1.00 0.00 H new ATOM 0 HA CYS A 6 -28.957 18.119 -12.693 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -28.360 20.358 -10.672 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -29.417 19.022 -10.260 1.00 0.00 H new ATOM 88 N CYS A 7 -30.498 20.927 -12.938 1.00 0.00 N ATOM 89 CA CYS A 7 -31.798 21.528 -13.245 1.00 0.00 C ATOM 90 C CYS A 7 -32.393 20.964 -14.570 1.00 0.00 C ATOM 91 O CYS A 7 -33.610 20.947 -14.768 1.00 0.00 O ATOM 92 CB CYS A 7 -31.599 23.048 -13.247 1.00 0.00 C ATOM 93 SG CYS A 7 -32.839 24.082 -12.445 1.00 0.00 S ATOM 0 H CYS A 7 -29.712 21.560 -13.086 1.00 0.00 H new ATOM 0 HA CYS A 7 -32.543 21.271 -12.492 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -30.639 23.257 -12.775 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -31.521 23.370 -14.285 1.00 0.00 H new ATOM 98 N ALA A 8 -31.534 20.459 -15.450 1.00 0.00 N ATOM 99 CA ALA A 8 -31.815 19.492 -16.520 1.00 0.00 C ATOM 100 C ALA A 8 -32.160 18.120 -15.911 1.00 0.00 C ATOM 101 O ALA A 8 -32.665 17.998 -14.794 1.00 0.00 O ATOM 102 CB ALA A 8 -30.558 19.498 -17.422 1.00 0.00 C ATOM 0 H ALA A 8 -30.551 20.731 -15.438 1.00 0.00 H new ATOM 0 HA ALA A 8 -32.686 19.748 -17.124 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -30.697 18.797 -18.245 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -30.402 20.500 -17.822 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -29.688 19.202 -16.836 1.00 0.00 H new ATOM 108 N SER A 9 -31.906 17.056 -16.678 1.00 0.00 N ATOM 109 CA SER A 9 -32.019 15.674 -16.270 1.00 0.00 C ATOM 110 C SER A 9 -31.090 15.311 -15.091 1.00 0.00 C ATOM 111 O SER A 9 -30.324 16.102 -14.531 1.00 0.00 O ATOM 112 CB SER A 9 -31.673 14.812 -17.495 1.00 0.00 C ATOM 113 OG SER A 9 -32.362 15.214 -18.687 1.00 0.00 O ATOM 0 H SER A 9 -31.602 17.152 -17.647 1.00 0.00 H new ATOM 0 HA SER A 9 -33.034 15.494 -15.916 1.00 0.00 H new ATOM 0 HB2 SER A 9 -30.598 14.860 -17.672 1.00 0.00 H new ATOM 0 HB3 SER A 9 -31.915 13.772 -17.278 1.00 0.00 H new ATOM 0 HG SER A 9 -32.099 14.630 -19.429 1.00 0.00 H new ATOM 119 N VAL A 10 -31.204 14.037 -14.730 1.00 0.00 N ATOM 120 CA VAL A 10 -30.707 13.370 -13.562 1.00 0.00 C ATOM 121 C VAL A 10 -29.188 13.530 -13.351 1.00 0.00 C ATOM 122 O VAL A 10 -28.393 13.360 -14.294 1.00 0.00 O ATOM 123 CB VAL A 10 -31.165 11.917 -13.703 1.00 0.00 C ATOM 124 CG1 VAL A 10 -30.589 11.014 -12.609 1.00 0.00 C ATOM 125 CG2 VAL A 10 -32.693 11.782 -13.615 1.00 0.00 C ATOM 0 H VAL A 10 -31.708 13.383 -15.329 1.00 0.00 H new ATOM 0 HA VAL A 10 -31.107 13.819 -12.653 1.00 0.00 H new ATOM 0 HB VAL A 10 -30.803 11.608 -14.684 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -30.945 9.994 -12.755 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -29.500 11.030 -12.660 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -30.912 11.375 -11.632 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -32.972 10.734 -13.720 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -33.036 12.154 -12.650 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -33.156 12.363 -14.413 1.00 0.00 H new ATOM 135 N CYS A 11 -28.809 13.842 -12.113 1.00 0.00 N ATOM 136 CA CYS A 11 -27.430 14.110 -11.674 1.00 0.00 C ATOM 137 C CYS A 11 -27.064 13.407 -10.351 1.00 0.00 C ATOM 138 O CYS A 11 -27.899 13.162 -9.478 1.00 0.00 O ATOM 139 CB CYS A 11 -27.201 15.636 -11.596 1.00 0.00 C ATOM 140 SG CYS A 11 -27.857 16.474 -10.129 1.00 0.00 S ATOM 0 H CYS A 11 -29.481 13.920 -11.350 1.00 0.00 H new ATOM 0 HA CYS A 11 -26.757 13.683 -12.418 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -26.128 15.824 -11.646 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -27.646 16.094 -12.479 1.00 0.00 H new ATOM 145 N SER A 12 -25.788 13.102 -10.193 1.00 0.00 N ATOM 146 CA SER A 12 -25.206 12.457 -9.054 1.00 0.00 C ATOM 147 C SER A 12 -24.852 13.379 -7.919 1.00 0.00 C ATOM 148 O SER A 12 -24.842 14.592 -8.005 1.00 0.00 O ATOM 149 CB SER A 12 -23.963 11.720 -9.531 1.00 0.00 C ATOM 150 OG SER A 12 -24.210 10.922 -10.674 1.00 0.00 O ATOM 0 H SER A 12 -25.095 13.317 -10.910 1.00 0.00 H new ATOM 0 HA SER A 12 -25.957 11.784 -8.642 1.00 0.00 H new ATOM 0 HB2 SER A 12 -23.181 12.444 -9.760 1.00 0.00 H new ATOM 0 HB3 SER A 12 -23.588 11.089 -8.726 1.00 0.00 H new ATOM 0 HG SER A 12 -23.383 10.471 -10.943 1.00 0.00 H new ATOM 156 N LEU A 13 -24.513 12.757 -6.819 1.00 0.00 N ATOM 157 CA LEU A 13 -24.231 13.306 -5.502 1.00 0.00 C ATOM 158 C LEU A 13 -23.014 14.181 -5.592 1.00 0.00 C ATOM 159 O LEU A 13 -23.009 15.289 -5.124 1.00 0.00 O ATOM 160 CB LEU A 13 -23.941 12.062 -4.637 1.00 0.00 C ATOM 161 CG LEU A 13 -25.148 11.114 -4.437 1.00 0.00 C ATOM 162 CD1 LEU A 13 -26.502 11.515 -5.027 1.00 0.00 C ATOM 163 CD2 LEU A 13 -24.809 9.722 -4.962 1.00 0.00 C ATOM 0 H LEU A 13 -24.415 11.742 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 13 -25.041 13.911 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -23.128 11.500 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -23.589 12.391 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 13 -25.295 11.161 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -27.240 10.746 -4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -26.821 12.463 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -26.411 11.622 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -25.663 9.061 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -24.572 9.782 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -23.950 9.328 -4.420 1.00 0.00 H new ATOM 175 N TYR A 14 -22.017 13.774 -6.344 1.00 0.00 N ATOM 176 CA TYR A 14 -20.883 14.585 -6.704 1.00 0.00 C ATOM 177 C TYR A 14 -21.134 15.966 -7.276 1.00 0.00 C ATOM 178 O TYR A 14 -20.504 16.944 -6.900 1.00 0.00 O ATOM 179 CB TYR A 14 -20.230 13.683 -7.704 1.00 0.00 C ATOM 180 CG TYR A 14 -19.834 12.382 -7.114 1.00 0.00 C ATOM 181 CD1 TYR A 14 -18.900 12.416 -6.069 1.00 0.00 C ATOM 182 CD2 TYR A 14 -20.528 11.234 -7.465 1.00 0.00 C ATOM 183 CE1 TYR A 14 -18.618 11.234 -5.375 1.00 0.00 C ATOM 184 CE2 TYR A 14 -20.337 10.091 -6.686 1.00 0.00 C ATOM 185 CZ TYR A 14 -19.340 10.046 -5.663 1.00 0.00 C ATOM 186 OH TYR A 14 -19.158 8.933 -4.914 1.00 0.00 O ATOM 0 H TYR A 14 -21.975 12.833 -6.735 1.00 0.00 H new ATOM 0 HA TYR A 14 -20.309 14.868 -5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -20.914 13.510 -8.535 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.349 14.177 -8.114 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -18.406 13.339 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.195 11.224 -8.314 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -17.848 11.225 -4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -20.956 9.223 -6.860 1.00 0.00 H new ATOM 0 HH TYR A 14 -19.733 8.214 -5.251 1.00 0.00 H new ATOM 196 N GLN A 15 -22.100 15.992 -8.168 1.00 0.00 N ATOM 197 CA GLN A 15 -22.572 17.204 -8.814 1.00 0.00 C ATOM 198 C GLN A 15 -23.236 18.095 -7.780 1.00 0.00 C ATOM 199 O GLN A 15 -23.046 19.299 -7.749 1.00 0.00 O ATOM 200 CB GLN A 15 -23.530 16.780 -9.926 1.00 0.00 C ATOM 201 CG GLN A 15 -22.878 15.778 -10.862 1.00 0.00 C ATOM 202 CD GLN A 15 -23.649 15.508 -12.160 1.00 0.00 C ATOM 203 OE1 GLN A 15 -24.183 14.429 -12.387 1.00 0.00 O ATOM 204 NE2 GLN A 15 -23.713 16.485 -13.054 1.00 0.00 N ATOM 0 H GLN A 15 -22.593 15.153 -8.474 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.758 17.782 -9.252 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -24.427 16.342 -9.489 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -23.846 17.657 -10.491 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -21.881 16.137 -11.117 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -22.751 14.835 -10.330 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -23.267 17.382 -12.862 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -24.208 16.340 -13.934 1.00 0.00 H new ATOM 213 N LEU A 16 -23.997 17.446 -6.923 1.00 0.00 N ATOM 214 CA LEU A 16 -24.746 17.981 -5.794 1.00 0.00 C ATOM 215 C LEU A 16 -23.924 18.408 -4.555 1.00 0.00 C ATOM 216 O LEU A 16 -24.326 19.310 -3.809 1.00 0.00 O ATOM 217 CB LEU A 16 -25.774 16.857 -5.544 1.00 0.00 C ATOM 218 CG LEU A 16 -26.811 16.715 -6.639 1.00 0.00 C ATOM 219 CD1 LEU A 16 -27.596 15.448 -6.358 1.00 0.00 C ATOM 220 CD2 LEU A 16 -27.720 17.943 -6.732 1.00 0.00 C ATOM 0 H LEU A 16 -24.121 16.437 -7.003 1.00 0.00 H new ATOM 0 HA LEU A 16 -25.195 18.949 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -25.243 15.911 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -26.282 17.047 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.322 16.645 -7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -28.355 15.312 -7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.920 14.593 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.078 15.527 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -28.448 17.797 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -28.242 18.082 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -27.118 18.826 -6.947 1.00 0.00 H new ATOM 232 N GLU A 17 -22.744 17.826 -4.364 1.00 0.00 N ATOM 233 CA GLU A 17 -21.741 18.065 -3.300 1.00 0.00 C ATOM 234 C GLU A 17 -20.722 19.125 -3.632 1.00 0.00 C ATOM 235 O GLU A 17 -20.315 19.875 -2.762 1.00 0.00 O ATOM 236 CB GLU A 17 -20.880 16.784 -3.234 1.00 0.00 C ATOM 237 CG GLU A 17 -21.682 15.766 -2.484 1.00 0.00 C ATOM 238 CD GLU A 17 -21.092 14.347 -2.535 1.00 0.00 C ATOM 239 OE1 GLU A 17 -20.083 14.040 -3.157 1.00 0.00 O ATOM 240 OE2 GLU A 17 -21.776 13.416 -1.790 1.00 0.00 O ATOM 0 H GLU A 17 -22.423 17.102 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 17 -22.296 18.352 -2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.640 16.427 -4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.933 16.979 -2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.764 16.078 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -22.693 15.743 -2.890 1.00 0.00 H new ATOM 248 N ASN A 18 -20.315 19.123 -4.891 1.00 0.00 N ATOM 249 CA ASN A 18 -19.193 19.768 -5.544 1.00 0.00 C ATOM 250 C ASN A 18 -18.631 20.976 -4.772 1.00 0.00 C ATOM 251 O ASN A 18 -17.480 21.025 -4.332 1.00 0.00 O ATOM 252 CB ASN A 18 -19.749 20.152 -6.902 1.00 0.00 C ATOM 253 CG ASN A 18 -19.078 19.512 -8.095 1.00 0.00 C ATOM 254 OD1 ASN A 18 -19.682 19.030 -9.036 1.00 0.00 O ATOM 255 ND2 ASN A 18 -17.791 19.669 -8.094 1.00 0.00 N ATOM 0 H ASN A 18 -20.847 18.587 -5.577 1.00 0.00 H new ATOM 0 HA ASN A 18 -18.328 19.107 -5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -20.808 19.896 -6.925 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -19.680 21.235 -7.008 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -17.242 19.384 -8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -17.328 20.078 -7.282 1.00 0.00 H new ATOM 262 N TYR A 19 -19.506 21.959 -4.666 1.00 0.00 N ATOM 263 CA TYR A 19 -19.317 23.271 -4.050 1.00 0.00 C ATOM 264 C TYR A 19 -18.976 23.209 -2.558 1.00 0.00 C ATOM 265 O TYR A 19 -17.956 23.609 -2.038 1.00 0.00 O ATOM 266 CB TYR A 19 -20.660 23.939 -4.264 1.00 0.00 C ATOM 267 CG TYR A 19 -20.821 24.318 -5.689 1.00 0.00 C ATOM 268 CD1 TYR A 19 -19.810 25.072 -6.288 1.00 0.00 C ATOM 269 CD2 TYR A 19 -21.520 23.358 -6.394 1.00 0.00 C ATOM 270 CE1 TYR A 19 -19.372 24.697 -7.568 1.00 0.00 C ATOM 271 CE2 TYR A 19 -21.118 22.999 -7.676 1.00 0.00 C ATOM 272 CZ TYR A 19 -20.022 23.668 -8.304 1.00 0.00 C ATOM 273 OH TYR A 19 -19.479 23.279 -9.478 1.00 0.00 O ATOM 0 H TYR A 19 -20.450 21.857 -5.039 1.00 0.00 H new ATOM 0 HA TYR A 19 -18.472 23.801 -4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -21.462 23.263 -3.967 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -20.739 24.824 -3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -19.377 25.921 -5.780 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -22.382 22.884 -5.948 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.522 25.201 -8.004 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -21.637 22.210 -8.200 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.106 22.378 -9.383 1.00 0.00 H new ATOM 283 N CYS A 20 -20.001 22.686 -1.909 1.00 0.00 N ATOM 284 CA CYS A 20 -20.270 22.562 -0.494 1.00 0.00 C ATOM 285 C CYS A 20 -19.272 21.659 0.274 1.00 0.00 C ATOM 286 O CYS A 20 -19.058 21.850 1.479 1.00 0.00 O ATOM 287 CB CYS A 20 -21.683 22.006 -0.477 1.00 0.00 C ATOM 288 SG CYS A 20 -22.295 21.454 1.118 1.00 0.00 S ATOM 0 H CYS A 20 -20.770 22.283 -2.444 1.00 0.00 H new ATOM 0 HA CYS A 20 -20.159 23.513 0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -22.358 22.773 -0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -21.730 21.167 -1.172 1.00 0.00 H new ATOM 293 N ASN A 21 -18.690 20.671 -0.417 1.00 0.00 N ATOM 294 CA ASN A 21 -17.858 19.588 0.149 1.00 0.00 C ATOM 295 C ASN A 21 -16.628 20.045 0.962 1.00 0.00 C ATOM 296 O ASN A 21 -15.784 20.828 0.458 1.00 0.00 O ATOM 297 CB ASN A 21 -17.468 18.784 -1.107 1.00 0.00 C ATOM 298 CG ASN A 21 -16.572 17.588 -0.773 1.00 0.00 C ATOM 299 OD1 ASN A 21 -17.038 16.534 -0.353 1.00 0.00 O ATOM 300 ND2 ASN A 21 -15.279 17.700 -0.981 1.00 0.00 N ATOM 301 OXT ASN A 21 -16.477 19.554 2.104 1.00 0.00 O ATOM 0 H ASN A 21 -18.787 20.596 -1.430 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.404 19.019 0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -18.371 18.431 -1.605 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -16.951 19.438 -1.809 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.662 16.910 -0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.893 18.577 -1.330 1.00 0.00 H new TER 308 ASN A 21 ATOM 309 N PHE B 1 -30.085 6.577 -3.346 1.00 0.00 N ATOM 310 CA PHE B 1 -30.430 8.019 -3.264 1.00 0.00 C ATOM 311 C PHE B 1 -31.705 8.335 -4.070 1.00 0.00 C ATOM 312 O PHE B 1 -32.444 7.431 -4.451 1.00 0.00 O ATOM 313 CB PHE B 1 -29.254 8.922 -3.686 1.00 0.00 C ATOM 314 CG PHE B 1 -28.873 9.848 -2.567 1.00 0.00 C ATOM 315 CD1 PHE B 1 -27.516 9.981 -2.218 1.00 0.00 C ATOM 316 CD2 PHE B 1 -29.880 10.504 -1.830 1.00 0.00 C ATOM 317 CE1 PHE B 1 -27.165 10.713 -1.071 1.00 0.00 C ATOM 318 CE2 PHE B 1 -29.526 11.198 -0.685 1.00 0.00 C ATOM 319 CZ PHE B 1 -28.181 11.314 -0.296 1.00 0.00 C ATOM 0 H1 PHE B 1 -29.725 6.253 -2.426 1.00 0.00 H new ATOM 0 H2 PHE B 1 -30.934 6.031 -3.597 1.00 0.00 H new ATOM 0 H3 PHE B 1 -29.355 6.436 -4.073 1.00 0.00 H new ATOM 0 HA PHE B 1 -30.636 8.241 -2.217 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -28.398 8.307 -3.965 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -29.531 9.501 -4.567 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -26.750 9.524 -2.827 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -30.910 10.466 -2.153 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -26.129 10.815 -0.785 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -30.296 11.657 -0.082 1.00 0.00 H new ATOM 0 HZ PHE B 1 -27.924 11.864 0.597 1.00 0.00 H new ATOM 331 N VAL B 2 -32.019 9.625 -4.213 1.00 0.00 N ATOM 332 CA VAL B 2 -33.372 10.194 -4.363 1.00 0.00 C ATOM 333 C VAL B 2 -33.515 11.037 -5.606 1.00 0.00 C ATOM 334 O VAL B 2 -34.518 10.975 -6.322 1.00 0.00 O ATOM 335 CB VAL B 2 -33.661 11.034 -3.127 1.00 0.00 C ATOM 336 CG1 VAL B 2 -34.852 12.000 -3.221 1.00 0.00 C ATOM 337 CG2 VAL B 2 -33.904 10.148 -1.898 1.00 0.00 C ATOM 0 H VAL B 2 -31.298 10.347 -4.229 1.00 0.00 H new ATOM 0 HA VAL B 2 -34.085 9.376 -4.464 1.00 0.00 H new ATOM 0 HB VAL B 2 -32.760 11.641 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -34.957 12.541 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -34.682 12.709 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -35.763 11.436 -3.418 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -34.108 10.776 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -34.758 9.496 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -33.019 9.541 -1.706 1.00 0.00 H new ATOM 347 N ASN B 3 -32.525 11.896 -5.782 1.00 0.00 N ATOM 348 CA ASN B 3 -32.634 13.048 -6.685 1.00 0.00 C ATOM 349 C ASN B 3 -32.690 12.695 -8.169 1.00 0.00 C ATOM 350 O ASN B 3 -32.251 11.652 -8.658 1.00 0.00 O ATOM 351 CB ASN B 3 -31.584 14.092 -6.351 1.00 0.00 C ATOM 352 CG ASN B 3 -31.754 14.445 -4.886 1.00 0.00 C ATOM 353 OD1 ASN B 3 -32.627 15.156 -4.452 1.00 0.00 O ATOM 354 ND2 ASN B 3 -30.989 13.755 -4.088 1.00 0.00 N ATOM 0 H ASN B 3 -31.624 11.822 -5.309 1.00 0.00 H new ATOM 0 HA ASN B 3 -33.614 13.489 -6.501 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -30.583 13.705 -6.540 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -31.707 14.976 -6.977 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -31.123 13.811 -3.078 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -30.256 13.159 -4.473 1.00 0.00 H new ATOM 361 N GLN B 4 -33.354 13.614 -8.862 1.00 0.00 N ATOM 362 CA GLN B 4 -34.273 13.283 -9.916 1.00 0.00 C ATOM 363 C GLN B 4 -34.297 14.316 -11.021 1.00 0.00 C ATOM 364 O GLN B 4 -33.283 14.887 -11.436 1.00 0.00 O ATOM 365 CB GLN B 4 -35.619 13.034 -9.210 1.00 0.00 C ATOM 366 CG GLN B 4 -36.266 14.217 -8.451 1.00 0.00 C ATOM 367 CD GLN B 4 -37.345 13.760 -7.474 1.00 0.00 C ATOM 368 OE1 GLN B 4 -38.493 14.163 -7.571 1.00 0.00 O ATOM 369 NE2 GLN B 4 -37.010 12.926 -6.505 1.00 0.00 N ATOM 0 H GLN B 4 -33.260 14.616 -8.697 1.00 0.00 H new ATOM 0 HA GLN B 4 -33.975 12.389 -10.465 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -36.331 12.687 -9.959 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -35.479 12.218 -8.501 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -35.494 14.762 -7.907 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -36.701 14.912 -9.169 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -36.049 12.592 -6.429 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -37.712 12.616 -5.833 1.00 0.00 H new ATOM 378 N HIS B 5 -35.498 14.448 -11.534 1.00 0.00 N ATOM 379 CA HIS B 5 -35.936 15.020 -12.803 1.00 0.00 C ATOM 380 C HIS B 5 -35.864 16.543 -12.828 1.00 0.00 C ATOM 381 O HIS B 5 -35.578 17.183 -13.831 1.00 0.00 O ATOM 382 CB HIS B 5 -37.393 14.560 -12.971 1.00 0.00 C ATOM 383 CG HIS B 5 -37.601 13.107 -13.250 1.00 0.00 C ATOM 384 ND1 HIS B 5 -36.624 12.515 -14.014 1.00 0.00 N ATOM 385 CD2 HIS B 5 -37.881 12.273 -12.204 1.00 0.00 C ATOM 386 CE1 HIS B 5 -36.017 11.700 -13.168 1.00 0.00 C ATOM 387 NE2 HIS B 5 -36.908 11.294 -12.243 1.00 0.00 N ATOM 0 H HIS B 5 -36.304 14.114 -11.005 1.00 0.00 H new ATOM 0 HA HIS B 5 -35.284 14.686 -13.610 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -37.939 14.816 -12.063 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -37.841 15.132 -13.784 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -38.692 12.361 -11.496 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -34.978 11.408 -13.211 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -36.872 10.440 -11.686 1.00 0.00 H new ATOM 395 N LEU B 6 -36.276 17.110 -11.706 1.00 0.00 N ATOM 396 CA LEU B 6 -36.665 18.509 -11.536 1.00 0.00 C ATOM 397 C LEU B 6 -35.555 19.533 -11.259 1.00 0.00 C ATOM 398 O LEU B 6 -34.405 19.239 -10.914 1.00 0.00 O ATOM 399 CB LEU B 6 -37.818 18.625 -10.514 1.00 0.00 C ATOM 400 CG LEU B 6 -39.220 19.098 -10.968 1.00 0.00 C ATOM 401 CD1 LEU B 6 -39.590 20.416 -10.310 1.00 0.00 C ATOM 402 CD2 LEU B 6 -39.383 19.294 -12.476 1.00 0.00 C ATOM 0 H LEU B 6 -36.354 16.580 -10.838 1.00 0.00 H new ATOM 0 HA LEU B 6 -36.998 18.804 -12.531 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -37.942 17.644 -10.054 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -37.486 19.305 -9.729 1.00 0.00 H new ATOM 0 HG LEU B 6 -39.876 18.283 -10.662 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -40.580 20.725 -10.646 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -39.597 20.293 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -38.859 21.177 -10.584 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -40.399 19.626 -12.692 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -38.674 20.045 -12.824 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -39.193 18.351 -12.988 1.00 0.00 H new ATOM 414 N CYS B 7 -36.007 20.765 -11.446 1.00 0.00 N ATOM 415 CA CYS B 7 -35.291 22.031 -11.405 1.00 0.00 C ATOM 416 C CYS B 7 -35.700 22.922 -10.212 1.00 0.00 C ATOM 417 O CYS B 7 -36.522 22.515 -9.388 1.00 0.00 O ATOM 418 CB CYS B 7 -35.603 22.637 -12.776 1.00 0.00 C ATOM 419 SG CYS B 7 -34.562 23.942 -13.516 1.00 0.00 S ATOM 0 H CYS B 7 -36.994 20.917 -11.653 1.00 0.00 H new ATOM 0 HA CYS B 7 -34.220 21.917 -11.237 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -35.625 21.811 -13.487 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -36.616 23.036 -12.720 1.00 0.00 H new ATOM 424 N GLY B 8 -35.143 24.146 -10.106 1.00 0.00 N ATOM 425 CA GLY B 8 -35.333 25.000 -8.921 1.00 0.00 C ATOM 426 C GLY B 8 -34.524 24.521 -7.721 1.00 0.00 C ATOM 427 O GLY B 8 -33.624 23.693 -7.805 1.00 0.00 O ATOM 0 H GLY B 8 -34.557 24.563 -10.829 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -35.045 26.023 -9.164 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -36.390 25.020 -8.658 1.00 0.00 H new ATOM 431 N SER B 9 -34.901 25.050 -6.566 1.00 0.00 N ATOM 432 CA SER B 9 -34.334 24.885 -5.209 1.00 0.00 C ATOM 433 C SER B 9 -34.642 23.566 -4.538 1.00 0.00 C ATOM 434 O SER B 9 -35.037 23.376 -3.397 1.00 0.00 O ATOM 435 CB SER B 9 -34.735 26.093 -4.399 1.00 0.00 C ATOM 436 OG SER B 9 -36.146 26.203 -4.232 1.00 0.00 O ATOM 0 H SER B 9 -35.703 25.680 -6.540 1.00 0.00 H new ATOM 0 HA SER B 9 -33.248 24.835 -5.290 1.00 0.00 H new ATOM 0 HB2 SER B 9 -34.261 26.041 -3.419 1.00 0.00 H new ATOM 0 HB3 SER B 9 -34.360 26.993 -4.887 1.00 0.00 H new ATOM 0 HG SER B 9 -36.351 27.000 -3.700 1.00 0.00 H new ATOM 442 N HIS B 10 -34.290 22.610 -5.355 1.00 0.00 N ATOM 443 CA HIS B 10 -34.491 21.187 -5.318 1.00 0.00 C ATOM 444 C HIS B 10 -33.335 20.325 -5.737 1.00 0.00 C ATOM 445 O HIS B 10 -33.225 19.167 -5.394 1.00 0.00 O ATOM 446 CB HIS B 10 -35.561 21.012 -6.379 1.00 0.00 C ATOM 447 CG HIS B 10 -36.391 19.788 -6.173 1.00 0.00 C ATOM 448 ND1 HIS B 10 -36.727 18.774 -7.076 1.00 0.00 N ATOM 449 CD2 HIS B 10 -36.939 19.536 -4.972 1.00 0.00 C ATOM 450 CE1 HIS B 10 -37.454 17.910 -6.348 1.00 0.00 C ATOM 451 NE2 HIS B 10 -37.587 18.318 -5.073 1.00 0.00 N ATOM 0 H HIS B 10 -33.771 22.857 -6.198 1.00 0.00 H new ATOM 0 HA HIS B 10 -34.700 20.880 -4.293 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -36.210 21.888 -6.381 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -35.088 20.963 -7.360 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -36.884 20.164 -4.095 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -37.880 16.998 -6.739 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -38.073 17.824 -4.324 1.00 0.00 H new ATOM 459 N LEU B 11 -32.419 21.029 -6.363 1.00 0.00 N ATOM 460 CA LEU B 11 -30.980 20.886 -6.141 1.00 0.00 C ATOM 461 C LEU B 11 -30.265 21.892 -5.282 1.00 0.00 C ATOM 462 O LEU B 11 -29.080 22.179 -5.386 1.00 0.00 O ATOM 463 CB LEU B 11 -30.319 20.486 -7.476 1.00 0.00 C ATOM 464 CG LEU B 11 -30.398 21.554 -8.609 1.00 0.00 C ATOM 465 CD1 LEU B 11 -31.674 21.372 -9.429 1.00 0.00 C ATOM 466 CD2 LEU B 11 -30.375 23.022 -8.180 1.00 0.00 C ATOM 0 H LEU B 11 -32.650 21.737 -7.060 1.00 0.00 H new ATOM 0 HA LEU B 11 -30.853 20.073 -5.426 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -29.270 20.258 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -30.786 19.568 -7.832 1.00 0.00 H new ATOM 0 HG LEU B 11 -29.482 21.369 -9.169 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -31.712 22.126 -10.215 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -31.679 20.379 -9.878 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -32.543 21.481 -8.779 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -30.436 23.660 -9.062 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -31.224 23.224 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -29.449 23.230 -7.645 1.00 0.00 H new ATOM 478 N VAL B 12 -31.054 22.251 -4.290 1.00 0.00 N ATOM 479 CA VAL B 12 -30.788 22.831 -2.997 1.00 0.00 C ATOM 480 C VAL B 12 -31.333 21.951 -1.905 1.00 0.00 C ATOM 481 O VAL B 12 -30.677 21.674 -0.916 1.00 0.00 O ATOM 482 CB VAL B 12 -31.500 24.170 -3.008 1.00 0.00 C ATOM 483 CG1 VAL B 12 -31.664 24.789 -1.646 1.00 0.00 C ATOM 484 CG2 VAL B 12 -30.910 25.091 -4.052 1.00 0.00 C ATOM 0 H VAL B 12 -32.059 22.117 -4.398 1.00 0.00 H new ATOM 0 HA VAL B 12 -29.720 22.941 -2.810 1.00 0.00 H new ATOM 0 HB VAL B 12 -32.530 23.981 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -32.182 25.743 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -32.246 24.121 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -30.683 24.951 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -31.440 26.044 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -29.855 25.259 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -31.009 24.635 -5.037 1.00 0.00 H new ATOM 494 N GLU B 13 -32.519 21.422 -2.143 1.00 0.00 N ATOM 495 CA GLU B 13 -33.108 20.360 -1.348 1.00 0.00 C ATOM 496 C GLU B 13 -32.915 18.965 -1.906 1.00 0.00 C ATOM 497 O GLU B 13 -33.483 17.979 -1.460 1.00 0.00 O ATOM 498 CB GLU B 13 -34.577 20.700 -1.153 1.00 0.00 C ATOM 499 CG GLU B 13 -34.801 22.052 -0.456 1.00 0.00 C ATOM 500 CD GLU B 13 -34.295 22.063 0.987 1.00 0.00 C ATOM 501 OE1 GLU B 13 -34.041 21.071 1.674 1.00 0.00 O ATOM 502 OE2 GLU B 13 -34.154 23.311 1.485 1.00 0.00 O ATOM 0 H GLU B 13 -33.114 21.726 -2.913 1.00 0.00 H new ATOM 0 HA GLU B 13 -32.583 20.318 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -35.072 20.713 -2.124 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -35.050 19.913 -0.565 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -34.295 22.835 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -35.865 22.289 -0.465 1.00 0.00 H new ATOM 510 N ALA B 14 -31.991 18.928 -2.837 1.00 0.00 N ATOM 511 CA ALA B 14 -30.963 17.903 -2.810 1.00 0.00 C ATOM 512 C ALA B 14 -29.762 18.274 -1.972 1.00 0.00 C ATOM 513 O ALA B 14 -29.272 17.466 -1.191 1.00 0.00 O ATOM 514 CB ALA B 14 -30.519 17.672 -4.231 1.00 0.00 C ATOM 0 H ALA B 14 -31.926 19.584 -3.615 1.00 0.00 H new ATOM 0 HA ALA B 14 -31.390 17.010 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -29.744 16.905 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -31.369 17.344 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -30.122 18.600 -4.643 1.00 0.00 H new ATOM 520 N LEU B 15 -29.252 19.476 -2.160 1.00 0.00 N ATOM 521 CA LEU B 15 -27.870 19.762 -1.823 1.00 0.00 C ATOM 522 C LEU B 15 -27.706 19.699 -0.286 1.00 0.00 C ATOM 523 O LEU B 15 -26.833 18.992 0.228 1.00 0.00 O ATOM 524 CB LEU B 15 -27.405 20.986 -2.638 1.00 0.00 C ATOM 525 CG LEU B 15 -26.660 22.130 -1.967 1.00 0.00 C ATOM 526 CD1 LEU B 15 -27.460 22.801 -0.865 1.00 0.00 C ATOM 527 CD2 LEU B 15 -25.326 21.675 -1.404 1.00 0.00 C ATOM 0 H LEU B 15 -29.770 20.267 -2.542 1.00 0.00 H new ATOM 0 HA LEU B 15 -27.139 19.016 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -26.766 20.614 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -28.291 21.413 -3.109 1.00 0.00 H new ATOM 0 HG LEU B 15 -26.494 22.864 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -26.872 23.608 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -28.382 23.208 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -27.702 22.069 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -24.823 22.519 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -25.491 20.892 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -24.704 21.286 -2.211 1.00 0.00 H new ATOM 539 N TYR B 16 -28.671 20.270 0.431 1.00 0.00 N ATOM 540 CA TYR B 16 -28.753 20.226 1.887 1.00 0.00 C ATOM 541 C TYR B 16 -28.827 18.812 2.501 1.00 0.00 C ATOM 542 O TYR B 16 -28.397 18.577 3.633 1.00 0.00 O ATOM 543 CB TYR B 16 -29.894 21.093 2.344 1.00 0.00 C ATOM 544 CG TYR B 16 -29.498 22.515 2.466 1.00 0.00 C ATOM 545 CD1 TYR B 16 -28.403 22.841 3.250 1.00 0.00 C ATOM 546 CD2 TYR B 16 -30.099 23.453 1.625 1.00 0.00 C ATOM 547 CE1 TYR B 16 -27.782 24.078 3.078 1.00 0.00 C ATOM 548 CE2 TYR B 16 -29.503 24.700 1.476 1.00 0.00 C ATOM 549 CZ TYR B 16 -28.312 25.007 2.178 1.00 0.00 C ATOM 550 OH TYR B 16 -27.694 26.189 1.935 1.00 0.00 O ATOM 0 H TYR B 16 -29.437 20.790 0.003 1.00 0.00 H new ATOM 0 HA TYR B 16 -27.807 20.617 2.261 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -30.720 21.006 1.638 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -30.258 20.735 3.307 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -28.034 22.144 3.987 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -31.011 23.214 1.099 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -26.892 24.318 3.640 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -29.949 25.436 0.824 1.00 0.00 H new ATOM 0 HH TYR B 16 -28.213 26.701 1.280 1.00 0.00 H new ATOM 560 N LEU B 17 -29.329 17.876 1.710 1.00 0.00 N ATOM 561 CA LEU B 17 -29.645 16.490 2.012 1.00 0.00 C ATOM 562 C LEU B 17 -28.551 15.501 1.630 1.00 0.00 C ATOM 563 O LEU B 17 -28.483 14.376 2.137 1.00 0.00 O ATOM 564 CB LEU B 17 -30.991 16.190 1.332 1.00 0.00 C ATOM 565 CG LEU B 17 -32.152 17.079 1.777 1.00 0.00 C ATOM 566 CD1 LEU B 17 -33.496 16.466 1.351 1.00 0.00 C ATOM 567 CD2 LEU B 17 -32.230 17.294 3.282 1.00 0.00 C ATOM 0 H LEU B 17 -29.548 18.093 0.738 1.00 0.00 H new ATOM 0 HA LEU B 17 -29.717 16.359 3.092 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -30.867 16.293 0.254 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -31.255 15.150 1.525 1.00 0.00 H new ATOM 0 HG LEU B 17 -31.962 18.039 1.296 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -34.311 17.113 1.677 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -33.523 16.367 0.266 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -33.609 15.483 1.808 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -33.080 17.935 3.514 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -32.353 16.333 3.781 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -31.312 17.768 3.630 1.00 0.00 H new ATOM 579 N VAL B 18 -27.672 15.935 0.720 1.00 0.00 N ATOM 580 CA VAL B 18 -26.543 15.193 0.142 1.00 0.00 C ATOM 581 C VAL B 18 -25.261 15.469 0.907 1.00 0.00 C ATOM 582 O VAL B 18 -24.559 14.606 1.425 1.00 0.00 O ATOM 583 CB VAL B 18 -26.467 15.683 -1.315 1.00 0.00 C ATOM 584 CG1 VAL B 18 -25.121 15.470 -1.968 1.00 0.00 C ATOM 585 CG2 VAL B 18 -27.571 15.010 -2.098 1.00 0.00 C ATOM 0 H VAL B 18 -27.734 16.880 0.341 1.00 0.00 H new ATOM 0 HA VAL B 18 -26.678 14.113 0.195 1.00 0.00 H new ATOM 0 HB VAL B 18 -26.600 16.765 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -25.151 15.842 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -24.356 16.008 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -24.884 14.406 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -27.536 15.343 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -27.438 13.929 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -28.536 15.272 -1.665 1.00 0.00 H new ATOM 595 N CYS B 19 -24.940 16.753 0.902 1.00 0.00 N ATOM 596 CA CYS B 19 -23.682 17.292 1.392 1.00 0.00 C ATOM 597 C CYS B 19 -23.622 17.282 2.928 1.00 0.00 C ATOM 598 O CYS B 19 -22.576 17.059 3.550 1.00 0.00 O ATOM 599 CB CYS B 19 -23.632 18.707 0.850 1.00 0.00 C ATOM 600 SG CYS B 19 -21.997 19.464 1.131 1.00 0.00 S ATOM 0 H CYS B 19 -25.569 17.472 0.545 1.00 0.00 H new ATOM 0 HA CYS B 19 -22.830 16.695 1.065 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -23.853 18.698 -0.217 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -24.402 19.310 1.330 1.00 0.00 H new ATOM 605 N GLY B 20 -24.784 17.509 3.525 1.00 0.00 N ATOM 606 CA GLY B 20 -25.196 17.182 4.896 1.00 0.00 C ATOM 607 C GLY B 20 -24.542 17.971 6.025 1.00 0.00 C ATOM 608 O GLY B 20 -25.125 18.874 6.627 1.00 0.00 O ATOM 0 H GLY B 20 -25.539 17.971 3.018 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -26.275 17.321 4.967 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -24.999 16.123 5.065 1.00 0.00 H new ATOM 612 N GLU B 21 -23.316 17.564 6.321 1.00 0.00 N ATOM 613 CA GLU B 21 -22.492 17.893 7.482 1.00 0.00 C ATOM 614 C GLU B 21 -22.354 19.390 7.807 1.00 0.00 C ATOM 615 O GLU B 21 -22.784 19.881 8.848 1.00 0.00 O ATOM 616 CB GLU B 21 -21.104 17.346 7.094 1.00 0.00 C ATOM 617 CG GLU B 21 -20.923 15.846 7.098 1.00 0.00 C ATOM 618 CD GLU B 21 -20.956 15.237 8.508 1.00 0.00 C ATOM 619 OE1 GLU B 21 -21.974 14.861 9.094 1.00 0.00 O ATOM 620 OE2 GLU B 21 -19.737 15.171 9.110 1.00 0.00 O ATOM 0 H GLU B 21 -22.821 16.931 5.692 1.00 0.00 H new ATOM 0 HA GLU B 21 -22.949 17.471 8.377 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -20.865 17.712 6.095 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.370 17.776 7.775 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -21.707 15.390 6.494 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -19.972 15.600 6.625 1.00 0.00 H new ATOM 628 N ARG B 22 -21.683 20.043 6.868 1.00 0.00 N ATOM 629 CA ARG B 22 -21.235 21.432 6.710 1.00 0.00 C ATOM 630 C ARG B 22 -22.250 22.510 7.039 1.00 0.00 C ATOM 631 O ARG B 22 -23.425 22.270 7.339 1.00 0.00 O ATOM 632 CB ARG B 22 -20.800 21.500 5.229 1.00 0.00 C ATOM 633 CG ARG B 22 -19.593 20.619 4.917 1.00 0.00 C ATOM 634 CD ARG B 22 -19.965 19.584 3.857 1.00 0.00 C ATOM 635 NE ARG B 22 -18.791 18.793 3.432 1.00 0.00 N ATOM 636 CZ ARG B 22 -18.685 17.500 3.213 1.00 0.00 C ATOM 637 NH1 ARG B 22 -19.688 16.679 3.370 1.00 0.00 N ATOM 638 NH2 ARG B 22 -17.545 17.043 2.821 1.00 0.00 N ATOM 0 H ARG B 22 -21.385 19.513 6.049 1.00 0.00 H new ATOM 0 HA ARG B 22 -20.447 21.650 7.431 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -21.635 21.198 4.597 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -20.564 22.533 4.973 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -18.765 21.233 4.563 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -19.253 20.118 5.824 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -20.730 18.916 4.253 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -20.397 20.087 2.992 1.00 0.00 H new ATOM 0 HE ARG B 22 -17.936 19.329 3.287 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -20.595 17.034 3.673 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -19.565 15.683 3.190 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -16.759 17.679 2.689 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -17.430 16.045 2.642 1.00 0.00 H new ATOM 652 N GLY B 23 -21.815 23.747 6.867 1.00 0.00 N ATOM 653 CA GLY B 23 -22.674 24.918 6.654 1.00 0.00 C ATOM 654 C GLY B 23 -22.199 25.727 5.451 1.00 0.00 C ATOM 655 O GLY B 23 -21.057 26.148 5.322 1.00 0.00 O ATOM 0 H GLY B 23 -20.822 23.980 6.871 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -23.703 24.596 6.498 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -22.668 25.546 7.545 1.00 0.00 H new ATOM 659 N PHE B 24 -23.099 25.786 4.477 1.00 0.00 N ATOM 660 CA PHE B 24 -22.813 25.499 3.068 1.00 0.00 C ATOM 661 C PHE B 24 -22.247 26.700 2.276 1.00 0.00 C ATOM 662 O PHE B 24 -22.375 27.849 2.655 1.00 0.00 O ATOM 663 CB PHE B 24 -24.128 24.967 2.465 1.00 0.00 C ATOM 664 CG PHE B 24 -24.393 23.540 2.797 1.00 0.00 C ATOM 665 CD1 PHE B 24 -23.884 22.952 3.966 1.00 0.00 C ATOM 666 CD2 PHE B 24 -25.117 22.797 1.884 1.00 0.00 C ATOM 667 CE1 PHE B 24 -24.236 21.644 4.260 1.00 0.00 C ATOM 668 CE2 PHE B 24 -25.488 21.501 2.195 1.00 0.00 C ATOM 669 CZ PHE B 24 -25.101 20.933 3.424 1.00 0.00 C ATOM 0 H PHE B 24 -24.073 26.040 4.644 1.00 0.00 H new ATOM 0 HA PHE B 24 -22.012 24.762 3.000 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -24.957 25.576 2.824 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -24.095 25.081 1.381 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -23.231 23.508 4.623 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -25.392 23.226 0.932 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -23.838 21.169 5.145 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -26.075 20.925 1.495 1.00 0.00 H new ATOM 0 HZ PHE B 24 -25.468 19.960 3.717 1.00 0.00 H new ATOM 679 N PHE B 25 -21.653 26.396 1.122 1.00 0.00 N ATOM 680 CA PHE B 25 -21.256 27.287 0.054 1.00 0.00 C ATOM 681 C PHE B 25 -22.386 28.094 -0.599 1.00 0.00 C ATOM 682 O PHE B 25 -22.310 29.280 -0.915 1.00 0.00 O ATOM 683 CB PHE B 25 -20.712 26.313 -0.998 1.00 0.00 C ATOM 684 CG PHE B 25 -20.045 27.106 -2.046 1.00 0.00 C ATOM 685 CD1 PHE B 25 -18.941 27.857 -1.677 1.00 0.00 C ATOM 686 CD2 PHE B 25 -20.682 27.296 -3.267 1.00 0.00 C ATOM 687 CE1 PHE B 25 -18.415 28.799 -2.561 1.00 0.00 C ATOM 688 CE2 PHE B 25 -20.131 28.208 -4.188 1.00 0.00 C ATOM 689 CZ PHE B 25 -19.004 28.983 -3.837 1.00 0.00 C ATOM 0 H PHE B 25 -21.420 25.428 0.900 1.00 0.00 H new ATOM 0 HA PHE B 25 -20.573 28.042 0.443 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -20.010 25.613 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -21.521 25.721 -1.425 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -18.489 27.713 -0.707 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -21.585 26.753 -3.505 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -17.558 29.389 -2.273 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -20.573 28.315 -5.168 1.00 0.00 H new ATOM 0 HZ PHE B 25 -18.597 29.705 -4.530 1.00 0.00 H new ATOM 699 N TYR B 26 -23.403 27.283 -0.865 1.00 0.00 N ATOM 700 CA TYR B 26 -24.121 27.309 -2.126 1.00 0.00 C ATOM 701 C TYR B 26 -25.223 28.364 -2.296 1.00 0.00 C ATOM 702 O TYR B 26 -25.787 28.956 -1.361 1.00 0.00 O ATOM 703 CB TYR B 26 -24.479 25.878 -2.488 1.00 0.00 C ATOM 704 CG TYR B 26 -25.198 25.728 -3.770 1.00 0.00 C ATOM 705 CD1 TYR B 26 -24.484 26.000 -4.935 1.00 0.00 C ATOM 706 CD2 TYR B 26 -26.542 25.359 -3.820 1.00 0.00 C ATOM 707 CE1 TYR B 26 -25.105 25.897 -6.167 1.00 0.00 C ATOM 708 CE2 TYR B 26 -27.173 25.222 -5.081 1.00 0.00 C ATOM 709 CZ TYR B 26 -26.457 25.511 -6.265 1.00 0.00 C ATOM 710 OH TYR B 26 -27.101 25.505 -7.472 1.00 0.00 O ATOM 0 H TYR B 26 -23.752 26.587 -0.206 1.00 0.00 H new ATOM 0 HA TYR B 26 -23.450 27.708 -2.886 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -23.563 25.288 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -25.093 25.459 -1.691 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -23.446 26.291 -4.876 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -27.094 25.180 -2.909 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -24.547 26.115 -7.065 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -28.201 24.897 -5.138 1.00 0.00 H new ATOM 0 HH TYR B 26 -28.027 25.210 -7.347 1.00 0.00 H new ATOM 720 N THR B 27 -25.362 28.669 -3.578 1.00 0.00 N ATOM 721 CA THR B 27 -25.380 30.037 -4.082 1.00 0.00 C ATOM 722 C THR B 27 -26.752 30.634 -4.420 1.00 0.00 C ATOM 723 O THR B 27 -26.801 31.873 -4.457 1.00 0.00 O ATOM 724 CB THR B 27 -24.428 30.116 -5.290 1.00 0.00 C ATOM 725 OG1 THR B 27 -24.901 29.306 -6.348 1.00 0.00 O ATOM 726 CG2 THR B 27 -22.992 29.665 -4.946 1.00 0.00 C ATOM 0 H THR B 27 -25.467 27.965 -4.308 1.00 0.00 H new ATOM 0 HA THR B 27 -25.048 30.663 -3.253 1.00 0.00 H new ATOM 0 HB THR B 27 -24.402 31.165 -5.586 1.00 0.00 H new ATOM 0 HG1 THR B 27 -24.782 28.362 -6.115 1.00 0.00 H new ATOM 0 HG21 THR B 27 -22.364 29.741 -5.834 1.00 0.00 H new ATOM 0 HG22 THR B 27 -22.588 30.304 -4.160 1.00 0.00 H new ATOM 0 HG23 THR B 27 -23.008 28.631 -4.601 1.00 0.00 H new ATOM 734 N PRO B 28 -27.875 29.890 -4.579 1.00 0.00 N ATOM 735 CA PRO B 28 -29.227 30.470 -4.629 1.00 0.00 C ATOM 736 C PRO B 28 -29.697 31.122 -3.310 1.00 0.00 C ATOM 737 O PRO B 28 -30.645 31.911 -3.275 1.00 0.00 O ATOM 738 CB PRO B 28 -30.172 29.335 -5.056 1.00 0.00 C ATOM 739 CG PRO B 28 -29.255 28.333 -5.735 1.00 0.00 C ATOM 740 CD PRO B 28 -27.974 28.475 -4.931 1.00 0.00 C ATOM 0 HA PRO B 28 -29.226 31.297 -5.339 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -30.680 28.894 -4.198 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -30.945 29.693 -5.735 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -29.654 27.320 -5.689 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -29.103 28.569 -6.788 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -28.003 27.852 -4.037 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -27.110 28.156 -5.514 1.00 0.00 H new ATOM 748 N LYS B 29 -29.052 30.755 -2.189 1.00 0.00 N ATOM 749 CA LYS B 29 -29.351 31.240 -0.838 1.00 0.00 C ATOM 750 C LYS B 29 -28.585 32.538 -0.538 1.00 0.00 C ATOM 751 O LYS B 29 -27.428 32.662 -0.931 1.00 0.00 O ATOM 752 CB LYS B 29 -28.997 30.110 0.142 1.00 0.00 C ATOM 753 CG LYS B 29 -29.347 30.439 1.607 1.00 0.00 C ATOM 754 CD LYS B 29 -29.089 29.232 2.514 1.00 0.00 C ATOM 755 CE LYS B 29 -29.568 29.413 3.962 1.00 0.00 C ATOM 756 NZ LYS B 29 -28.857 30.498 4.656 1.00 0.00 N ATOM 0 H LYS B 29 -28.281 30.088 -2.204 1.00 0.00 H new ATOM 0 HA LYS B 29 -30.407 31.491 -0.738 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -29.524 29.203 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -27.930 29.897 0.070 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -28.752 31.287 1.946 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -30.394 30.735 1.678 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -29.584 28.360 2.087 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -28.020 29.020 2.522 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -30.638 29.623 3.964 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -29.425 28.481 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -29.215 30.581 5.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -27.839 30.287 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -29.014 31.394 4.152 1.00 0.00 H new ATOM 770 N ALA B 30 -29.230 33.473 0.170 1.00 0.00 N ATOM 771 CA ALA B 30 -28.707 34.774 0.615 1.00 0.00 C ATOM 772 C ALA B 30 -28.019 35.602 -0.502 1.00 0.00 C ATOM 773 O ALA B 30 -28.745 36.105 -1.396 1.00 0.00 O ATOM 774 CB ALA B 30 -27.858 34.557 1.871 1.00 0.00 C ATOM 775 OXT ALA B 30 -26.785 35.821 -0.477 1.00 0.00 O ATOM 0 H ALA B 30 -30.195 33.333 0.468 1.00 0.00 H new ATOM 0 HA ALA B 30 -29.546 35.417 0.879 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -27.463 35.514 2.213 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -28.474 34.118 2.655 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -27.031 33.885 1.640 1.00 0.00 H new TER 781 ALA B 30