USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 318 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 167:sc= -0.95 (180deg=-1.37) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= -0.614 USER MOD Single : A 9 ASN : amide:sc= -0.415 X(o=-0.42,f=-0.41) USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000313) USER MOD Single : A 33 MET CE :methyl -174:sc= 0 (180deg=-0.0686) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.617 22.021 -18.386 1.00 17.23 N ATOM 2 CA LEU A 1 1.695 22.746 -19.665 1.00 16.71 C ATOM 3 C LEU A 1 3.126 23.254 -19.853 1.00 15.82 C ATOM 4 O LEU A 1 3.931 23.016 -18.959 1.00 15.68 O ATOM 5 CB LEU A 1 0.609 23.835 -19.794 1.00 17.84 C ATOM 6 CG LEU A 1 0.470 24.900 -18.685 1.00 18.52 C ATOM 7 CD1 LEU A 1 -0.178 24.383 -17.394 1.00 18.93 C ATOM 8 CD2 LEU A 1 1.772 25.639 -18.368 1.00 18.33 C ATOM 0 H1 LEU A 1 0.620 21.862 -18.138 1.00 17.23 H new ATOM 0 H2 LEU A 1 2.102 21.105 -18.476 1.00 17.23 H new ATOM 0 H3 LEU A 1 2.074 22.583 -17.640 1.00 17.23 H new ATOM 0 HA LEU A 1 1.473 22.068 -20.489 1.00 16.71 H new ATOM 0 HB2 LEU A 1 0.783 24.361 -20.733 1.00 17.84 H new ATOM 0 HB3 LEU A 1 -0.352 23.329 -19.885 1.00 17.84 H new ATOM 0 HG LEU A 1 -0.219 25.622 -19.124 1.00 18.52 H new ATOM 0 HD11 LEU A 1 -0.238 25.193 -16.667 1.00 18.93 H new ATOM 0 HD12 LEU A 1 -1.181 24.016 -17.612 1.00 18.93 H new ATOM 0 HD13 LEU A 1 0.424 23.572 -16.984 1.00 18.93 H new ATOM 0 HD21 LEU A 1 1.593 26.370 -17.580 1.00 18.33 H new ATOM 0 HD22 LEU A 1 2.525 24.924 -18.036 1.00 18.33 H new ATOM 0 HD23 LEU A 1 2.127 26.150 -19.263 1.00 18.33 H new ATOM 22 N ARG A 2 3.422 23.904 -20.987 1.00 15.53 N ATOM 23 CA ARG A 2 4.730 24.402 -21.417 1.00 15.02 C ATOM 24 C ARG A 2 5.919 23.487 -21.088 1.00 13.28 C ATOM 25 O ARG A 2 6.455 23.536 -19.986 1.00 12.69 O ATOM 26 CB ARG A 2 4.958 25.880 -21.031 1.00 16.17 C ATOM 27 CG ARG A 2 5.152 26.220 -19.539 1.00 16.65 C ATOM 28 CD ARG A 2 6.533 26.834 -19.241 1.00 16.93 C ATOM 29 NE ARG A 2 7.598 25.828 -19.372 1.00 16.24 N ATOM 30 CZ ARG A 2 8.913 26.038 -19.517 1.00 16.45 C ATOM 31 NH1 ARG A 2 9.397 27.283 -19.460 1.00 17.33 N ATOM 32 NH2 ARG A 2 9.735 25.000 -19.720 1.00 16.09 N ATOM 0 H ARG A 2 2.698 24.109 -21.676 1.00 15.53 H new ATOM 0 HA ARG A 2 4.689 24.372 -22.506 1.00 15.02 H new ATOM 0 HB2 ARG A 2 5.837 26.234 -21.570 1.00 16.17 H new ATOM 0 HB3 ARG A 2 4.107 26.455 -21.396 1.00 16.17 H new ATOM 0 HG2 ARG A 2 4.375 26.917 -19.226 1.00 16.65 H new ATOM 0 HG3 ARG A 2 5.026 25.314 -18.945 1.00 16.65 H new ATOM 0 HD2 ARG A 2 6.723 27.660 -19.926 1.00 16.93 H new ATOM 0 HD3 ARG A 2 6.541 27.248 -18.233 1.00 16.93 H new ATOM 0 HE ARG A 2 7.299 24.853 -19.350 1.00 16.24 H new ATOM 0 HH11 ARG A 2 8.765 28.069 -19.307 1.00 17.33 H new ATOM 0 HH12 ARG A 2 10.398 27.447 -19.570 1.00 17.33 H new ATOM 0 HH21 ARG A 2 9.359 24.053 -19.764 1.00 16.09 H new ATOM 0 HH22 ARG A 2 10.737 25.157 -19.831 1.00 16.09 H new ATOM 46 N ILE A 3 6.371 22.700 -22.071 1.00 12.81 N ATOM 47 CA ILE A 3 7.701 22.085 -22.128 1.00 11.58 C ATOM 48 C ILE A 3 8.247 21.693 -20.739 1.00 10.08 C ATOM 49 O ILE A 3 9.119 22.389 -20.206 1.00 10.04 O ATOM 50 CB ILE A 3 8.672 23.007 -22.903 1.00 12.44 C ATOM 51 CG1 ILE A 3 8.072 23.598 -24.195 1.00 13.77 C ATOM 52 CG2 ILE A 3 9.981 22.268 -23.228 1.00 12.38 C ATOM 53 CD1 ILE A 3 7.594 22.557 -25.214 1.00 14.16 C ATOM 0 H ILE A 3 5.797 22.465 -22.881 1.00 12.81 H new ATOM 0 HA ILE A 3 7.609 21.144 -22.670 1.00 11.58 H new ATOM 0 HB ILE A 3 8.873 23.847 -22.239 1.00 12.44 H new ATOM 0 HG12 ILE A 3 7.231 24.239 -23.929 1.00 13.77 H new ATOM 0 HG13 ILE A 3 8.820 24.234 -24.669 1.00 13.77 H new ATOM 0 HG21 ILE A 3 10.649 22.934 -23.773 1.00 12.38 H new ATOM 0 HG22 ILE A 3 10.460 21.952 -22.301 1.00 12.38 H new ATOM 0 HG23 ILE A 3 9.763 21.393 -23.840 1.00 12.38 H new ATOM 0 HD11 ILE A 3 7.188 23.064 -26.089 1.00 14.16 H new ATOM 0 HD12 ILE A 3 8.433 21.930 -25.515 1.00 14.16 H new ATOM 0 HD13 ILE A 3 6.820 21.935 -24.763 1.00 14.16 H new ATOM 65 N PRO A 4 7.716 20.630 -20.117 1.00 9.29 N ATOM 66 CA PRO A 4 8.235 20.120 -18.860 1.00 8.22 C ATOM 67 C PRO A 4 9.536 19.357 -19.123 1.00 7.10 C ATOM 68 O PRO A 4 9.774 18.901 -20.240 1.00 7.25 O ATOM 69 CB PRO A 4 7.138 19.196 -18.326 1.00 8.46 C ATOM 70 CG PRO A 4 6.503 18.648 -19.605 1.00 9.03 C ATOM 71 CD PRO A 4 6.590 19.829 -20.574 1.00 9.90 C ATOM 0 HA PRO A 4 8.469 20.905 -18.141 1.00 8.22 H new ATOM 0 HB2 PRO A 4 7.547 18.400 -17.704 1.00 8.46 H new ATOM 0 HB3 PRO A 4 6.415 19.737 -17.715 1.00 8.46 H new ATOM 0 HG2 PRO A 4 7.042 17.778 -19.981 1.00 9.03 H new ATOM 0 HG3 PRO A 4 5.471 18.337 -19.441 1.00 9.03 H new ATOM 0 HD2 PRO A 4 6.743 19.486 -21.597 1.00 9.90 H new ATOM 0 HD3 PRO A 4 5.668 20.410 -20.567 1.00 9.90 H new ATOM 79 N CYS A 5 10.378 19.210 -18.095 1.00 6.49 N ATOM 80 CA CYS A 5 11.638 18.470 -18.202 1.00 6.04 C ATOM 81 C CYS A 5 12.083 17.867 -16.865 1.00 5.33 C ATOM 82 O CYS A 5 13.230 17.447 -16.731 1.00 5.69 O ATOM 83 CB CYS A 5 12.739 19.372 -18.776 1.00 7.16 C ATOM 84 SG CYS A 5 13.176 20.639 -17.562 1.00 8.35 S ATOM 0 H CYS A 5 10.205 19.600 -17.168 1.00 6.49 H new ATOM 0 HA CYS A 5 11.462 17.637 -18.883 1.00 6.04 H new ATOM 0 HB2 CYS A 5 13.617 18.777 -19.028 1.00 7.16 H new ATOM 0 HB3 CYS A 5 12.396 19.840 -19.699 1.00 7.16 H new ATOM 0 HG CYS A 5 14.110 21.401 -18.048 1.00 8.35 H new ATOM 90 N CYS A 6 11.179 17.787 -15.880 1.00 5.10 N ATOM 91 CA CYS A 6 11.481 17.270 -14.548 1.00 5.14 C ATOM 92 C CYS A 6 10.563 16.084 -14.236 1.00 3.98 C ATOM 93 O CYS A 6 9.415 16.296 -13.840 1.00 3.93 O ATOM 94 CB CYS A 6 11.301 18.377 -13.509 1.00 6.67 C ATOM 95 SG CYS A 6 11.691 17.658 -11.897 1.00 7.74 S ATOM 0 H CYS A 6 10.209 18.083 -15.991 1.00 5.10 H new ATOM 0 HA CYS A 6 12.516 16.930 -14.516 1.00 5.14 H new ATOM 0 HB2 CYS A 6 11.959 19.219 -13.725 1.00 6.67 H new ATOM 0 HB3 CYS A 6 10.280 18.758 -13.524 1.00 6.67 H new ATOM 0 HG CYS A 6 11.555 18.563 -10.974 1.00 7.74 H new ATOM 101 N PRO A 7 11.016 14.834 -14.429 1.00 3.31 N ATOM 102 CA PRO A 7 10.179 13.654 -14.256 1.00 2.53 C ATOM 103 C PRO A 7 10.053 13.285 -12.771 1.00 2.16 C ATOM 104 O PRO A 7 10.357 12.161 -12.373 1.00 2.41 O ATOM 105 CB PRO A 7 10.864 12.571 -15.098 1.00 2.94 C ATOM 106 CG PRO A 7 12.343 12.932 -14.971 1.00 3.47 C ATOM 107 CD PRO A 7 12.321 14.462 -14.956 1.00 3.78 C ATOM 0 HA PRO A 7 9.150 13.804 -14.584 1.00 2.53 H new ATOM 0 HB2 PRO A 7 10.657 11.571 -14.717 1.00 2.94 H new ATOM 0 HB3 PRO A 7 10.530 12.593 -16.135 1.00 2.94 H new ATOM 0 HG2 PRO A 7 12.781 12.525 -14.060 1.00 3.47 H new ATOM 0 HG3 PRO A 7 12.927 12.544 -15.806 1.00 3.47 H new ATOM 0 HD2 PRO A 7 13.122 14.859 -14.332 1.00 3.78 H new ATOM 0 HD3 PRO A 7 12.468 14.865 -15.958 1.00 3.78 H new ATOM 115 N VAL A 8 9.570 14.229 -11.958 1.00 2.21 N ATOM 116 CA VAL A 8 9.071 13.967 -10.615 1.00 2.31 C ATOM 117 C VAL A 8 7.552 13.823 -10.745 1.00 1.72 C ATOM 118 O VAL A 8 7.084 13.188 -11.690 1.00 2.17 O ATOM 119 CB VAL A 8 9.599 15.049 -9.643 1.00 3.44 C ATOM 120 CG1 VAL A 8 9.059 16.473 -9.857 1.00 3.19 C ATOM 121 CG2 VAL A 8 9.538 14.631 -8.164 1.00 4.92 C ATOM 0 H VAL A 8 9.516 15.212 -12.224 1.00 2.21 H new ATOM 0 HA VAL A 8 9.434 13.041 -10.168 1.00 2.31 H new ATOM 0 HB VAL A 8 10.651 15.114 -9.922 1.00 3.44 H new ATOM 0 HG11 VAL A 8 9.499 17.144 -9.119 1.00 3.19 H new ATOM 0 HG12 VAL A 8 9.320 16.815 -10.859 1.00 3.19 H new ATOM 0 HG13 VAL A 8 7.975 16.472 -9.746 1.00 3.19 H new ATOM 0 HG21 VAL A 8 9.924 15.438 -7.542 1.00 4.92 H new ATOM 0 HG22 VAL A 8 8.505 14.422 -7.887 1.00 4.92 H new ATOM 0 HG23 VAL A 8 10.142 13.736 -8.014 1.00 4.92 H new ATOM 131 N ASN A 9 6.782 14.430 -9.841 1.00 1.43 N ATOM 132 CA ASN A 9 5.330 14.598 -9.916 1.00 0.91 C ATOM 133 C ASN A 9 4.610 13.273 -10.186 1.00 0.67 C ATOM 134 O ASN A 9 4.283 12.550 -9.250 1.00 0.86 O ATOM 135 CB ASN A 9 4.965 15.685 -10.942 1.00 1.70 C ATOM 136 CG ASN A 9 5.489 17.059 -10.535 1.00 2.78 C ATOM 137 OD1 ASN A 9 5.202 17.537 -9.444 1.00 3.15 O ATOM 138 ND2 ASN A 9 6.279 17.703 -11.391 1.00 4.31 N ATOM 0 H ASN A 9 7.175 14.839 -8.993 1.00 1.43 H new ATOM 0 HA ASN A 9 4.979 14.935 -8.940 1.00 0.91 H new ATOM 0 HB2 ASN A 9 5.374 15.416 -11.916 1.00 1.70 H new ATOM 0 HB3 ASN A 9 3.882 15.729 -11.053 1.00 1.70 H new ATOM 0 HD21 ASN A 9 6.661 18.616 -11.145 1.00 4.31 H new ATOM 0 HD22 ASN A 9 6.503 17.283 -12.293 1.00 4.31 H new ATOM 145 N LEU A 10 4.423 12.925 -11.461 1.00 0.66 N ATOM 146 CA LEU A 10 3.853 11.669 -11.917 1.00 0.69 C ATOM 147 C LEU A 10 4.642 10.520 -11.287 1.00 0.63 C ATOM 148 O LEU A 10 4.067 9.586 -10.732 1.00 0.64 O ATOM 149 CB LEU A 10 3.941 11.675 -13.454 1.00 0.96 C ATOM 150 CG LEU A 10 3.136 10.581 -14.173 1.00 1.85 C ATOM 151 CD1 LEU A 10 3.087 10.909 -15.671 1.00 2.65 C ATOM 152 CD2 LEU A 10 3.755 9.190 -14.002 1.00 3.31 C ATOM 0 H LEU A 10 4.678 13.542 -12.232 1.00 0.66 H new ATOM 0 HA LEU A 10 2.811 11.542 -11.623 1.00 0.69 H new ATOM 0 HB2 LEU A 10 3.602 12.646 -13.815 1.00 0.96 H new ATOM 0 HB3 LEU A 10 4.988 11.577 -13.740 1.00 0.96 H new ATOM 0 HG LEU A 10 2.140 10.561 -13.732 1.00 1.85 H new ATOM 0 HD11 LEU A 10 2.518 10.140 -16.193 1.00 2.65 H new ATOM 0 HD12 LEU A 10 2.607 11.877 -15.816 1.00 2.65 H new ATOM 0 HD13 LEU A 10 4.101 10.944 -16.069 1.00 2.65 H new ATOM 0 HD21 LEU A 10 3.148 8.454 -14.529 1.00 3.31 H new ATOM 0 HD22 LEU A 10 4.765 9.188 -14.412 1.00 3.31 H new ATOM 0 HD23 LEU A 10 3.794 8.937 -12.943 1.00 3.31 H new ATOM 164 N LYS A 11 5.972 10.616 -11.302 1.00 0.65 N ATOM 165 CA LYS A 11 6.828 9.622 -10.678 1.00 0.68 C ATOM 166 C LYS A 11 6.512 9.508 -9.181 1.00 0.46 C ATOM 167 O LYS A 11 6.430 8.406 -8.641 1.00 0.47 O ATOM 168 CB LYS A 11 8.293 9.990 -10.940 1.00 0.86 C ATOM 169 CG LYS A 11 9.238 8.807 -10.701 1.00 1.66 C ATOM 170 CD LYS A 11 10.679 9.246 -11.001 1.00 2.41 C ATOM 171 CE LYS A 11 11.700 8.115 -10.809 1.00 2.85 C ATOM 172 NZ LYS A 11 11.546 7.038 -11.810 1.00 3.81 N ATOM 0 H LYS A 11 6.478 11.382 -11.746 1.00 0.65 H new ATOM 0 HA LYS A 11 6.643 8.639 -11.112 1.00 0.68 H new ATOM 0 HB2 LYS A 11 8.401 10.337 -11.968 1.00 0.86 H new ATOM 0 HB3 LYS A 11 8.579 10.818 -10.292 1.00 0.86 H new ATOM 0 HG2 LYS A 11 9.157 8.463 -9.670 1.00 1.66 H new ATOM 0 HG3 LYS A 11 8.960 7.969 -11.339 1.00 1.66 H new ATOM 0 HD2 LYS A 11 10.736 9.610 -12.027 1.00 2.41 H new ATOM 0 HD3 LYS A 11 10.942 10.081 -10.351 1.00 2.41 H new ATOM 0 HE2 LYS A 11 12.708 8.525 -10.873 1.00 2.85 H new ATOM 0 HE3 LYS A 11 11.589 7.696 -9.809 1.00 2.85 H new ATOM 0 HZ1 LYS A 11 12.268 6.308 -11.648 1.00 3.81 H new ATOM 0 HZ2 LYS A 11 10.600 6.615 -11.722 1.00 3.81 H new ATOM 0 HZ3 LYS A 11 11.661 7.433 -12.765 1.00 3.81 H new ATOM 186 N ARG A 12 6.315 10.642 -8.500 1.00 0.39 N ATOM 187 CA ARG A 12 5.992 10.624 -7.084 1.00 0.36 C ATOM 188 C ARG A 12 4.582 10.070 -6.859 1.00 0.30 C ATOM 189 O ARG A 12 4.323 9.416 -5.854 1.00 0.38 O ATOM 190 CB ARG A 12 6.139 12.045 -6.515 1.00 0.59 C ATOM 191 CG ARG A 12 6.853 12.083 -5.158 1.00 1.94 C ATOM 192 CD ARG A 12 6.064 11.380 -4.043 1.00 3.04 C ATOM 193 NE ARG A 12 6.663 11.616 -2.717 1.00 4.04 N ATOM 194 CZ ARG A 12 7.732 10.973 -2.216 1.00 5.50 C ATOM 195 NH1 ARG A 12 8.368 10.059 -2.957 1.00 6.38 N ATOM 196 NH2 ARG A 12 8.161 11.247 -0.979 1.00 6.66 N ATOM 0 H ARG A 12 6.375 11.574 -8.910 1.00 0.39 H new ATOM 0 HA ARG A 12 6.683 9.965 -6.559 1.00 0.36 H new ATOM 0 HB2 ARG A 12 6.692 12.659 -7.226 1.00 0.59 H new ATOM 0 HB3 ARG A 12 5.150 12.491 -6.410 1.00 0.59 H new ATOM 0 HG2 ARG A 12 7.831 11.612 -5.255 1.00 1.94 H new ATOM 0 HG3 ARG A 12 7.026 13.121 -4.874 1.00 1.94 H new ATOM 0 HD2 ARG A 12 5.034 11.737 -4.046 1.00 3.04 H new ATOM 0 HD3 ARG A 12 6.030 10.309 -4.241 1.00 3.04 H new ATOM 0 HE ARG A 12 6.229 12.328 -2.129 1.00 4.04 H new ATOM 0 HH11 ARG A 12 8.042 9.851 -3.901 1.00 6.38 H new ATOM 0 HH12 ARG A 12 9.179 9.570 -2.578 1.00 6.38 H new ATOM 0 HH21 ARG A 12 7.677 11.945 -0.414 1.00 6.66 H new ATOM 0 HH22 ARG A 12 8.972 10.758 -0.601 1.00 6.66 H new ATOM 210 N LEU A 13 3.710 10.217 -7.853 1.00 0.27 N ATOM 211 CA LEU A 13 2.396 9.597 -7.866 1.00 0.34 C ATOM 212 C LEU A 13 2.587 8.080 -7.920 1.00 0.30 C ATOM 213 O LEU A 13 2.018 7.354 -7.113 1.00 0.33 O ATOM 214 CB LEU A 13 1.547 10.141 -9.023 1.00 0.44 C ATOM 215 CG LEU A 13 0.048 10.255 -8.697 1.00 1.11 C ATOM 216 CD1 LEU A 13 -0.685 10.826 -9.917 1.00 2.00 C ATOM 217 CD2 LEU A 13 -0.578 8.909 -8.315 1.00 1.81 C ATOM 0 H LEU A 13 3.903 10.779 -8.682 1.00 0.27 H new ATOM 0 HA LEU A 13 1.843 9.842 -6.959 1.00 0.34 H new ATOM 0 HB2 LEU A 13 1.923 11.124 -9.305 1.00 0.44 H new ATOM 0 HB3 LEU A 13 1.672 9.491 -9.889 1.00 0.44 H new ATOM 0 HG LEU A 13 -0.052 10.914 -7.835 1.00 1.11 H new ATOM 0 HD11 LEU A 13 -1.749 10.911 -9.696 1.00 2.00 H new ATOM 0 HD12 LEU A 13 -0.284 11.812 -10.154 1.00 2.00 H new ATOM 0 HD13 LEU A 13 -0.544 10.162 -10.770 1.00 2.00 H new ATOM 0 HD21 LEU A 13 -1.636 9.049 -8.095 1.00 1.81 H new ATOM 0 HD22 LEU A 13 -0.469 8.209 -9.143 1.00 1.81 H new ATOM 0 HD23 LEU A 13 -0.074 8.510 -7.434 1.00 1.81 H new ATOM 229 N LEU A 14 3.441 7.596 -8.826 1.00 0.32 N ATOM 230 CA LEU A 14 3.788 6.186 -8.899 1.00 0.36 C ATOM 231 C LEU A 14 4.297 5.670 -7.552 1.00 0.29 C ATOM 232 O LEU A 14 3.856 4.627 -7.072 1.00 0.30 O ATOM 233 CB LEU A 14 4.804 5.942 -10.026 1.00 0.46 C ATOM 234 CG LEU A 14 4.789 4.497 -10.551 1.00 0.54 C ATOM 235 CD1 LEU A 14 3.528 4.178 -11.366 1.00 2.12 C ATOM 236 CD2 LEU A 14 6.021 4.275 -11.436 1.00 1.81 C ATOM 0 H LEU A 14 3.907 8.174 -9.525 1.00 0.32 H new ATOM 0 HA LEU A 14 2.886 5.621 -9.135 1.00 0.36 H new ATOM 0 HB2 LEU A 14 4.594 6.624 -10.850 1.00 0.46 H new ATOM 0 HB3 LEU A 14 5.804 6.180 -9.663 1.00 0.46 H new ATOM 0 HG LEU A 14 4.798 3.834 -9.686 1.00 0.54 H new ATOM 0 HD11 LEU A 14 3.570 3.145 -11.712 1.00 2.12 H new ATOM 0 HD12 LEU A 14 2.646 4.316 -10.740 1.00 2.12 H new ATOM 0 HD13 LEU A 14 3.471 4.846 -12.225 1.00 2.12 H new ATOM 0 HD21 LEU A 14 6.019 3.252 -11.813 1.00 1.81 H new ATOM 0 HD22 LEU A 14 5.997 4.971 -12.275 1.00 1.81 H new ATOM 0 HD23 LEU A 14 6.925 4.444 -10.851 1.00 1.81 H new ATOM 248 N VAL A 15 5.193 6.423 -6.912 1.00 0.24 N ATOM 249 CA VAL A 15 5.652 6.072 -5.570 1.00 0.25 C ATOM 250 C VAL A 15 4.460 5.991 -4.605 1.00 0.22 C ATOM 251 O VAL A 15 4.335 5.017 -3.866 1.00 0.25 O ATOM 252 CB VAL A 15 6.754 7.028 -5.080 1.00 0.31 C ATOM 253 CG1 VAL A 15 7.127 6.729 -3.620 1.00 0.42 C ATOM 254 CG2 VAL A 15 8.019 6.885 -5.937 1.00 0.38 C ATOM 0 H VAL A 15 5.611 7.270 -7.297 1.00 0.24 H new ATOM 0 HA VAL A 15 6.110 5.083 -5.605 1.00 0.25 H new ATOM 0 HB VAL A 15 6.362 8.042 -5.162 1.00 0.31 H new ATOM 0 HG11 VAL A 15 7.908 7.417 -3.296 1.00 0.42 H new ATOM 0 HG12 VAL A 15 6.248 6.853 -2.987 1.00 0.42 H new ATOM 0 HG13 VAL A 15 7.490 5.704 -3.540 1.00 0.42 H new ATOM 0 HG21 VAL A 15 8.785 7.570 -5.573 1.00 0.38 H new ATOM 0 HG22 VAL A 15 8.388 5.861 -5.873 1.00 0.38 H new ATOM 0 HG23 VAL A 15 7.784 7.122 -6.975 1.00 0.38 H new ATOM 264 N VAL A 16 3.570 6.988 -4.610 1.00 0.24 N ATOM 265 CA VAL A 16 2.371 6.949 -3.781 1.00 0.32 C ATOM 266 C VAL A 16 1.566 5.677 -4.073 1.00 0.33 C ATOM 267 O VAL A 16 1.153 5.003 -3.136 1.00 0.37 O ATOM 268 CB VAL A 16 1.550 8.246 -3.924 1.00 0.38 C ATOM 269 CG1 VAL A 16 0.157 8.123 -3.292 1.00 0.49 C ATOM 270 CG2 VAL A 16 2.283 9.407 -3.238 1.00 0.44 C ATOM 0 H VAL A 16 3.661 7.829 -5.180 1.00 0.24 H new ATOM 0 HA VAL A 16 2.661 6.902 -2.731 1.00 0.32 H new ATOM 0 HB VAL A 16 1.435 8.431 -4.992 1.00 0.38 H new ATOM 0 HG11 VAL A 16 -0.384 9.061 -3.418 1.00 0.49 H new ATOM 0 HG12 VAL A 16 -0.394 7.319 -3.779 1.00 0.49 H new ATOM 0 HG13 VAL A 16 0.258 7.902 -2.229 1.00 0.49 H new ATOM 0 HG21 VAL A 16 1.697 10.320 -3.343 1.00 0.44 H new ATOM 0 HG22 VAL A 16 2.414 9.180 -2.180 1.00 0.44 H new ATOM 0 HG23 VAL A 16 3.259 9.547 -3.703 1.00 0.44 H new ATOM 280 N VAL A 17 1.371 5.306 -5.341 1.00 0.33 N ATOM 281 CA VAL A 17 0.698 4.073 -5.706 1.00 0.37 C ATOM 282 C VAL A 17 1.399 2.868 -5.063 1.00 0.33 C ATOM 283 O VAL A 17 0.749 2.037 -4.431 1.00 0.35 O ATOM 284 CB VAL A 17 0.565 3.966 -7.236 1.00 0.42 C ATOM 285 CG1 VAL A 17 0.047 2.588 -7.652 1.00 0.50 C ATOM 286 CG2 VAL A 17 -0.408 5.029 -7.765 1.00 0.49 C ATOM 0 H VAL A 17 1.679 5.859 -6.140 1.00 0.33 H new ATOM 0 HA VAL A 17 -0.318 4.079 -5.312 1.00 0.37 H new ATOM 0 HB VAL A 17 1.558 4.122 -7.659 1.00 0.42 H new ATOM 0 HG11 VAL A 17 -0.036 2.543 -8.738 1.00 0.50 H new ATOM 0 HG12 VAL A 17 0.740 1.820 -7.309 1.00 0.50 H new ATOM 0 HG13 VAL A 17 -0.933 2.418 -7.206 1.00 0.50 H new ATOM 0 HG21 VAL A 17 -0.491 4.940 -8.848 1.00 0.49 H new ATOM 0 HG22 VAL A 17 -1.389 4.882 -7.313 1.00 0.49 H new ATOM 0 HG23 VAL A 17 -0.036 6.021 -7.510 1.00 0.49 H new ATOM 296 N VAL A 18 2.725 2.769 -5.190 1.00 0.31 N ATOM 297 CA VAL A 18 3.490 1.711 -4.549 1.00 0.32 C ATOM 298 C VAL A 18 3.228 1.692 -3.035 1.00 0.31 C ATOM 299 O VAL A 18 2.992 0.631 -2.453 1.00 0.34 O ATOM 300 CB VAL A 18 4.985 1.828 -4.904 1.00 0.33 C ATOM 301 CG1 VAL A 18 5.839 0.835 -4.103 1.00 0.37 C ATOM 302 CG2 VAL A 18 5.208 1.550 -6.398 1.00 0.37 C ATOM 0 H VAL A 18 3.290 3.418 -5.738 1.00 0.31 H new ATOM 0 HA VAL A 18 3.156 0.747 -4.932 1.00 0.32 H new ATOM 0 HB VAL A 18 5.287 2.845 -4.656 1.00 0.33 H new ATOM 0 HG11 VAL A 18 6.887 0.949 -4.382 1.00 0.37 H new ATOM 0 HG12 VAL A 18 5.724 1.033 -3.037 1.00 0.37 H new ATOM 0 HG13 VAL A 18 5.514 -0.182 -4.320 1.00 0.37 H new ATOM 0 HG21 VAL A 18 6.269 1.637 -6.630 1.00 0.37 H new ATOM 0 HG22 VAL A 18 4.866 0.543 -6.636 1.00 0.37 H new ATOM 0 HG23 VAL A 18 4.647 2.273 -6.990 1.00 0.37 H new ATOM 312 N VAL A 19 3.237 2.861 -2.389 1.00 0.30 N ATOM 313 CA VAL A 19 2.951 2.953 -0.965 1.00 0.31 C ATOM 314 C VAL A 19 1.542 2.423 -0.701 1.00 0.33 C ATOM 315 O VAL A 19 1.352 1.619 0.204 1.00 0.33 O ATOM 316 CB VAL A 19 3.171 4.384 -0.442 1.00 0.30 C ATOM 317 CG1 VAL A 19 2.681 4.541 1.004 1.00 0.35 C ATOM 318 CG2 VAL A 19 4.665 4.736 -0.484 1.00 0.28 C ATOM 0 H VAL A 19 3.440 3.755 -2.835 1.00 0.30 H new ATOM 0 HA VAL A 19 3.649 2.330 -0.406 1.00 0.31 H new ATOM 0 HB VAL A 19 2.600 5.053 -1.085 1.00 0.30 H new ATOM 0 HG11 VAL A 19 2.853 5.564 1.337 1.00 0.35 H new ATOM 0 HG12 VAL A 19 1.615 4.318 1.053 1.00 0.35 H new ATOM 0 HG13 VAL A 19 3.226 3.852 1.650 1.00 0.35 H new ATOM 0 HG21 VAL A 19 4.810 5.750 -0.112 1.00 0.28 H new ATOM 0 HG22 VAL A 19 5.221 4.037 0.141 1.00 0.28 H new ATOM 0 HG23 VAL A 19 5.025 4.671 -1.511 1.00 0.28 H new ATOM 328 N VAL A 20 0.561 2.837 -1.505 1.00 0.36 N ATOM 329 CA VAL A 20 -0.809 2.366 -1.405 1.00 0.39 C ATOM 330 C VAL A 20 -0.859 0.837 -1.477 1.00 0.38 C ATOM 331 O VAL A 20 -1.495 0.210 -0.635 1.00 0.38 O ATOM 332 CB VAL A 20 -1.721 3.059 -2.437 1.00 0.41 C ATOM 333 CG1 VAL A 20 -3.080 2.358 -2.574 1.00 0.49 C ATOM 334 CG2 VAL A 20 -1.970 4.515 -2.023 1.00 0.43 C ATOM 0 H VAL A 20 0.704 3.518 -2.251 1.00 0.36 H new ATOM 0 HA VAL A 20 -1.206 2.645 -0.429 1.00 0.39 H new ATOM 0 HB VAL A 20 -1.206 3.010 -3.397 1.00 0.41 H new ATOM 0 HG11 VAL A 20 -3.687 2.882 -3.312 1.00 0.49 H new ATOM 0 HG12 VAL A 20 -2.927 1.328 -2.896 1.00 0.49 H new ATOM 0 HG13 VAL A 20 -3.592 2.365 -1.612 1.00 0.49 H new ATOM 0 HG21 VAL A 20 -2.615 4.997 -2.758 1.00 0.43 H new ATOM 0 HG22 VAL A 20 -2.452 4.538 -1.046 1.00 0.43 H new ATOM 0 HG23 VAL A 20 -1.020 5.046 -1.971 1.00 0.43 H new ATOM 344 N VAL A 21 -0.187 0.219 -2.452 1.00 0.37 N ATOM 345 CA VAL A 21 -0.121 -1.226 -2.571 1.00 0.37 C ATOM 346 C VAL A 21 0.434 -1.849 -1.283 1.00 0.33 C ATOM 347 O VAL A 21 -0.133 -2.807 -0.756 1.00 0.31 O ATOM 348 CB VAL A 21 0.720 -1.560 -3.812 1.00 0.40 C ATOM 349 CG1 VAL A 21 1.064 -3.044 -3.866 1.00 0.40 C ATOM 350 CG2 VAL A 21 -0.036 -1.191 -5.097 1.00 0.44 C ATOM 0 H VAL A 21 0.326 0.716 -3.180 1.00 0.37 H new ATOM 0 HA VAL A 21 -1.115 -1.654 -2.701 1.00 0.37 H new ATOM 0 HB VAL A 21 1.639 -0.978 -3.740 1.00 0.40 H new ATOM 0 HG11 VAL A 21 1.660 -3.247 -4.756 1.00 0.40 H new ATOM 0 HG12 VAL A 21 1.633 -3.318 -2.978 1.00 0.40 H new ATOM 0 HG13 VAL A 21 0.145 -3.629 -3.903 1.00 0.40 H new ATOM 0 HG21 VAL A 21 0.578 -1.436 -5.964 1.00 0.44 H new ATOM 0 HG22 VAL A 21 -0.970 -1.752 -5.144 1.00 0.44 H new ATOM 0 HG23 VAL A 21 -0.254 -0.123 -5.097 1.00 0.44 H new ATOM 360 N LEU A 22 1.531 -1.301 -0.755 1.00 0.31 N ATOM 361 CA LEU A 22 2.120 -1.755 0.490 1.00 0.27 C ATOM 362 C LEU A 22 1.090 -1.624 1.623 1.00 0.26 C ATOM 363 O LEU A 22 0.874 -2.568 2.380 1.00 0.23 O ATOM 364 CB LEU A 22 3.454 -1.000 0.682 1.00 0.27 C ATOM 365 CG LEU A 22 3.776 -0.569 2.111 1.00 0.28 C ATOM 366 CD1 LEU A 22 4.096 -1.763 3.019 1.00 0.29 C ATOM 367 CD2 LEU A 22 4.976 0.384 2.119 1.00 0.29 C ATOM 0 H LEU A 22 2.033 -0.526 -1.188 1.00 0.31 H new ATOM 0 HA LEU A 22 2.374 -2.815 0.486 1.00 0.27 H new ATOM 0 HB2 LEU A 22 4.264 -1.635 0.323 1.00 0.27 H new ATOM 0 HB3 LEU A 22 3.441 -0.112 0.049 1.00 0.27 H new ATOM 0 HG LEU A 22 2.887 -0.069 2.496 1.00 0.28 H new ATOM 0 HD11 LEU A 22 4.318 -1.406 4.025 1.00 0.29 H new ATOM 0 HD12 LEU A 22 3.238 -2.434 3.054 1.00 0.29 H new ATOM 0 HD13 LEU A 22 4.960 -2.299 2.625 1.00 0.29 H new ATOM 0 HD21 LEU A 22 5.196 0.684 3.144 1.00 0.29 H new ATOM 0 HD22 LEU A 22 5.844 -0.120 1.695 1.00 0.29 H new ATOM 0 HD23 LEU A 22 4.743 1.267 1.524 1.00 0.29 H new ATOM 379 N VAL A 23 0.414 -0.481 1.730 1.00 0.28 N ATOM 380 CA VAL A 23 -0.581 -0.221 2.740 1.00 0.30 C ATOM 381 C VAL A 23 -1.741 -1.206 2.603 1.00 0.29 C ATOM 382 O VAL A 23 -2.251 -1.687 3.610 1.00 0.27 O ATOM 383 CB VAL A 23 -0.984 1.256 2.622 1.00 0.35 C ATOM 384 CG1 VAL A 23 -2.309 1.540 3.311 1.00 0.39 C ATOM 385 CG2 VAL A 23 0.107 2.151 3.226 1.00 0.35 C ATOM 0 H VAL A 23 0.556 0.304 1.094 1.00 0.28 H new ATOM 0 HA VAL A 23 -0.196 -0.380 3.747 1.00 0.30 H new ATOM 0 HB VAL A 23 -1.101 1.477 1.561 1.00 0.35 H new ATOM 0 HG11 VAL A 23 -2.556 2.596 3.203 1.00 0.39 H new ATOM 0 HG12 VAL A 23 -3.093 0.935 2.855 1.00 0.39 H new ATOM 0 HG13 VAL A 23 -2.229 1.292 4.369 1.00 0.39 H new ATOM 0 HG21 VAL A 23 -0.189 3.196 3.137 1.00 0.35 H new ATOM 0 HG22 VAL A 23 0.242 1.900 4.278 1.00 0.35 H new ATOM 0 HG23 VAL A 23 1.044 1.993 2.692 1.00 0.35 H new ATOM 395 N VAL A 24 -2.147 -1.551 1.382 1.00 0.33 N ATOM 396 CA VAL A 24 -3.143 -2.549 1.130 1.00 0.35 C ATOM 397 C VAL A 24 -2.652 -3.902 1.641 1.00 0.28 C ATOM 398 O VAL A 24 -3.367 -4.558 2.391 1.00 0.24 O ATOM 399 CB VAL A 24 -3.480 -2.487 -0.367 1.00 0.43 C ATOM 400 CG1 VAL A 24 -4.017 -3.808 -0.884 1.00 0.50 C ATOM 401 CG2 VAL A 24 -4.489 -1.362 -0.631 1.00 0.50 C ATOM 0 H VAL A 24 -1.774 -1.126 0.533 1.00 0.33 H new ATOM 0 HA VAL A 24 -4.073 -2.376 1.671 1.00 0.35 H new ATOM 0 HB VAL A 24 -2.556 -2.279 -0.906 1.00 0.43 H new ATOM 0 HG11 VAL A 24 -4.242 -3.718 -1.947 1.00 0.50 H new ATOM 0 HG12 VAL A 24 -3.270 -4.588 -0.736 1.00 0.50 H new ATOM 0 HG13 VAL A 24 -4.926 -4.069 -0.342 1.00 0.50 H new ATOM 0 HG21 VAL A 24 -4.722 -1.325 -1.695 1.00 0.50 H new ATOM 0 HG22 VAL A 24 -5.401 -1.552 -0.066 1.00 0.50 H new ATOM 0 HG23 VAL A 24 -4.061 -0.409 -0.320 1.00 0.50 H new ATOM 411 N VAL A 25 -1.431 -4.323 1.301 1.00 0.28 N ATOM 412 CA VAL A 25 -0.848 -5.525 1.861 1.00 0.24 C ATOM 413 C VAL A 25 -0.857 -5.489 3.392 1.00 0.17 C ATOM 414 O VAL A 25 -1.172 -6.490 4.034 1.00 0.15 O ATOM 415 CB VAL A 25 0.543 -5.750 1.244 1.00 0.29 C ATOM 416 CG1 VAL A 25 1.577 -6.318 2.217 1.00 0.28 C ATOM 417 CG2 VAL A 25 0.372 -6.711 0.069 1.00 0.39 C ATOM 0 H VAL A 25 -0.830 -3.838 0.634 1.00 0.28 H new ATOM 0 HA VAL A 25 -1.456 -6.392 1.601 1.00 0.24 H new ATOM 0 HB VAL A 25 0.930 -4.778 0.939 1.00 0.29 H new ATOM 0 HG11 VAL A 25 2.529 -6.446 1.702 1.00 0.28 H new ATOM 0 HG12 VAL A 25 1.706 -5.631 3.053 1.00 0.28 H new ATOM 0 HG13 VAL A 25 1.234 -7.283 2.590 1.00 0.28 H new ATOM 0 HG21 VAL A 25 1.341 -6.895 -0.395 1.00 0.39 H new ATOM 0 HG22 VAL A 25 -0.043 -7.653 0.427 1.00 0.39 H new ATOM 0 HG23 VAL A 25 -0.304 -6.272 -0.665 1.00 0.39 H new ATOM 427 N VAL A 26 -0.540 -4.337 3.982 1.00 0.18 N ATOM 428 CA VAL A 26 -0.537 -4.184 5.427 1.00 0.19 C ATOM 429 C VAL A 26 -1.963 -4.368 5.942 1.00 0.19 C ATOM 430 O VAL A 26 -2.165 -5.084 6.916 1.00 0.22 O ATOM 431 CB VAL A 26 0.097 -2.847 5.835 1.00 0.25 C ATOM 432 CG1 VAL A 26 -0.355 -2.346 7.213 1.00 0.32 C ATOM 433 CG2 VAL A 26 1.625 -2.950 5.783 1.00 0.26 C ATOM 0 H VAL A 26 -0.281 -3.493 3.472 1.00 0.18 H new ATOM 0 HA VAL A 26 0.084 -4.950 5.892 1.00 0.19 H new ATOM 0 HB VAL A 26 -0.252 -2.109 5.113 1.00 0.25 H new ATOM 0 HG11 VAL A 26 0.134 -1.397 7.433 1.00 0.32 H new ATOM 0 HG12 VAL A 26 -1.436 -2.206 7.213 1.00 0.32 H new ATOM 0 HG13 VAL A 26 -0.084 -3.079 7.973 1.00 0.32 H new ATOM 0 HG21 VAL A 26 2.064 -1.996 6.074 1.00 0.26 H new ATOM 0 HG22 VAL A 26 1.961 -3.728 6.468 1.00 0.26 H new ATOM 0 HG23 VAL A 26 1.939 -3.199 4.769 1.00 0.26 H new ATOM 443 N ILE A 27 -2.957 -3.759 5.289 1.00 0.22 N ATOM 444 CA ILE A 27 -4.352 -3.888 5.660 1.00 0.25 C ATOM 445 C ILE A 27 -4.746 -5.366 5.576 1.00 0.18 C ATOM 446 O ILE A 27 -5.420 -5.886 6.463 1.00 0.20 O ATOM 447 CB ILE A 27 -5.208 -2.972 4.767 1.00 0.33 C ATOM 448 CG1 ILE A 27 -5.191 -1.551 5.358 1.00 0.42 C ATOM 449 CG2 ILE A 27 -6.663 -3.459 4.651 1.00 0.35 C ATOM 450 CD1 ILE A 27 -5.586 -0.486 4.330 1.00 0.50 C ATOM 0 H ILE A 27 -2.804 -3.157 4.480 1.00 0.22 H new ATOM 0 HA ILE A 27 -4.524 -3.565 6.687 1.00 0.25 H new ATOM 0 HB ILE A 27 -4.781 -2.985 3.764 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -5.875 -1.505 6.206 1.00 0.42 H new ATOM 0 HG13 ILE A 27 -4.194 -1.331 5.740 1.00 0.42 H new ATOM 0 HG21 ILE A 27 -7.224 -2.779 4.011 1.00 0.35 H new ATOM 0 HG22 ILE A 27 -6.678 -4.460 4.219 1.00 0.35 H new ATOM 0 HG23 ILE A 27 -7.118 -3.484 5.641 1.00 0.35 H new ATOM 0 HD11 ILE A 27 -5.558 0.498 4.797 1.00 0.50 H new ATOM 0 HD12 ILE A 27 -4.887 -0.511 3.494 1.00 0.50 H new ATOM 0 HD13 ILE A 27 -6.594 -0.687 3.967 1.00 0.50 H new ATOM 462 N VAL A 28 -4.311 -6.053 4.516 1.00 0.17 N ATOM 463 CA VAL A 28 -4.627 -7.455 4.310 1.00 0.21 C ATOM 464 C VAL A 28 -4.046 -8.267 5.469 1.00 0.21 C ATOM 465 O VAL A 28 -4.787 -8.932 6.191 1.00 0.31 O ATOM 466 CB VAL A 28 -4.146 -7.898 2.916 1.00 0.34 C ATOM 467 CG1 VAL A 28 -4.137 -9.419 2.754 1.00 0.42 C ATOM 468 CG2 VAL A 28 -5.066 -7.311 1.835 1.00 0.43 C ATOM 0 H VAL A 28 -3.731 -5.647 3.782 1.00 0.17 H new ATOM 0 HA VAL A 28 -5.703 -7.629 4.317 1.00 0.21 H new ATOM 0 HB VAL A 28 -3.125 -7.532 2.808 1.00 0.34 H new ATOM 0 HG11 VAL A 28 -3.790 -9.676 1.753 1.00 0.42 H new ATOM 0 HG12 VAL A 28 -3.469 -9.860 3.494 1.00 0.42 H new ATOM 0 HG13 VAL A 28 -5.146 -9.806 2.899 1.00 0.42 H new ATOM 0 HG21 VAL A 28 -4.720 -7.628 0.851 1.00 0.43 H new ATOM 0 HG22 VAL A 28 -6.085 -7.665 1.993 1.00 0.43 H new ATOM 0 HG23 VAL A 28 -5.047 -6.223 1.893 1.00 0.43 H new ATOM 478 N GLY A 29 -2.733 -8.186 5.695 1.00 0.21 N ATOM 479 CA GLY A 29 -2.122 -8.874 6.828 1.00 0.30 C ATOM 480 C GLY A 29 -2.817 -8.529 8.150 1.00 0.34 C ATOM 481 O GLY A 29 -3.121 -9.413 8.950 1.00 0.48 O ATOM 0 H GLY A 29 -2.082 -7.657 5.115 1.00 0.21 H new ATOM 0 HA2 GLY A 29 -2.166 -9.951 6.665 1.00 0.30 H new ATOM 0 HA3 GLY A 29 -1.068 -8.604 6.891 1.00 0.30 H new ATOM 485 N ALA A 30 -3.092 -7.240 8.365 1.00 0.31 N ATOM 486 CA ALA A 30 -3.761 -6.735 9.555 1.00 0.47 C ATOM 487 C ALA A 30 -5.162 -7.328 9.716 1.00 0.58 C ATOM 488 O ALA A 30 -5.610 -7.529 10.842 1.00 1.00 O ATOM 489 CB ALA A 30 -3.817 -5.206 9.533 1.00 0.51 C ATOM 0 H ALA A 30 -2.848 -6.507 7.699 1.00 0.31 H new ATOM 0 HA ALA A 30 -3.175 -7.050 10.419 1.00 0.47 H new ATOM 0 HB1 ALA A 30 -4.321 -4.847 10.431 1.00 0.51 H new ATOM 0 HB2 ALA A 30 -2.804 -4.805 9.501 1.00 0.51 H new ATOM 0 HB3 ALA A 30 -4.366 -4.875 8.652 1.00 0.51 H new ATOM 495 N LEU A 31 -5.859 -7.618 8.615 1.00 0.31 N ATOM 496 CA LEU A 31 -7.111 -8.318 8.650 1.00 0.34 C ATOM 497 C LEU A 31 -6.817 -9.768 9.050 1.00 0.48 C ATOM 498 O LEU A 31 -7.277 -10.195 10.106 1.00 0.79 O ATOM 499 CB LEU A 31 -7.810 -8.093 7.300 1.00 0.28 C ATOM 500 CG LEU A 31 -8.878 -9.135 7.011 1.00 0.44 C ATOM 501 CD1 LEU A 31 -10.025 -9.095 8.029 1.00 0.53 C ATOM 502 CD2 LEU A 31 -9.429 -8.958 5.593 1.00 0.54 C ATOM 0 H LEU A 31 -5.554 -7.365 7.675 1.00 0.31 H new ATOM 0 HA LEU A 31 -7.819 -7.956 9.395 1.00 0.34 H new ATOM 0 HB2 LEU A 31 -8.264 -7.102 7.291 1.00 0.28 H new ATOM 0 HB3 LEU A 31 -7.066 -8.110 6.503 1.00 0.28 H new ATOM 0 HG LEU A 31 -8.400 -10.111 7.096 1.00 0.44 H new ATOM 0 HD11 LEU A 31 -10.761 -9.859 7.778 1.00 0.53 H new ATOM 0 HD12 LEU A 31 -9.632 -9.285 9.028 1.00 0.53 H new ATOM 0 HD13 LEU A 31 -10.498 -8.113 8.006 1.00 0.53 H new ATOM 0 HD21 LEU A 31 -10.193 -9.712 5.403 1.00 0.54 H new ATOM 0 HD22 LEU A 31 -9.867 -7.965 5.494 1.00 0.54 H new ATOM 0 HD23 LEU A 31 -8.620 -9.071 4.872 1.00 0.54 H new ATOM 514 N LEU A 32 -6.014 -10.505 8.268 1.00 0.38 N ATOM 515 CA LEU A 32 -5.818 -11.936 8.476 1.00 0.50 C ATOM 516 C LEU A 32 -5.292 -12.281 9.870 1.00 0.49 C ATOM 517 O LEU A 32 -5.663 -13.314 10.422 1.00 0.55 O ATOM 518 CB LEU A 32 -4.917 -12.534 7.386 1.00 0.60 C ATOM 519 CG LEU A 32 -5.683 -12.806 6.079 1.00 1.18 C ATOM 520 CD1 LEU A 32 -5.745 -11.593 5.152 1.00 2.55 C ATOM 521 CD2 LEU A 32 -5.028 -13.971 5.328 1.00 1.52 C ATOM 0 H LEU A 32 -5.489 -10.124 7.481 1.00 0.38 H new ATOM 0 HA LEU A 32 -6.806 -12.390 8.403 1.00 0.50 H new ATOM 0 HB2 LEU A 32 -4.091 -11.851 7.185 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -4.480 -13.464 7.749 1.00 0.60 H new ATOM 0 HG LEU A 32 -6.706 -13.050 6.365 1.00 1.18 H new ATOM 0 HD11 LEU A 32 -6.298 -11.853 4.250 1.00 2.55 H new ATOM 0 HD12 LEU A 32 -6.247 -10.771 5.662 1.00 2.55 H new ATOM 0 HD13 LEU A 32 -4.734 -11.289 4.882 1.00 2.55 H new ATOM 0 HD21 LEU A 32 -5.573 -14.160 4.403 1.00 1.52 H new ATOM 0 HD22 LEU A 32 -3.994 -13.718 5.094 1.00 1.52 H new ATOM 0 HD23 LEU A 32 -5.050 -14.865 5.952 1.00 1.52 H new ATOM 533 N MET A 33 -4.429 -11.446 10.459 1.00 0.46 N ATOM 534 CA MET A 33 -3.969 -11.701 11.823 1.00 0.50 C ATOM 535 C MET A 33 -5.130 -11.701 12.830 1.00 0.55 C ATOM 536 O MET A 33 -5.022 -12.313 13.890 1.00 0.76 O ATOM 537 CB MET A 33 -2.843 -10.738 12.231 1.00 0.62 C ATOM 538 CG MET A 33 -3.315 -9.293 12.412 1.00 2.43 C ATOM 539 SD MET A 33 -2.031 -8.090 12.848 1.00 3.30 S ATOM 540 CE MET A 33 -1.557 -8.656 14.496 1.00 3.88 C ATOM 0 H MET A 33 -4.044 -10.608 10.023 1.00 0.46 H new ATOM 0 HA MET A 33 -3.546 -12.705 11.838 1.00 0.50 H new ATOM 0 HB2 MET A 33 -2.397 -11.086 13.163 1.00 0.62 H new ATOM 0 HB3 MET A 33 -2.060 -10.764 11.473 1.00 0.62 H new ATOM 0 HG2 MET A 33 -3.791 -8.968 11.487 1.00 2.43 H new ATOM 0 HG3 MET A 33 -4.081 -9.276 13.188 1.00 2.43 H new ATOM 0 HE1 MET A 33 -0.852 -7.950 14.934 1.00 3.88 H new ATOM 0 HE2 MET A 33 -2.443 -8.723 15.127 1.00 3.88 H new ATOM 0 HE3 MET A 33 -1.089 -9.638 14.423 1.00 3.88 H new ATOM 550 N GLY A 34 -6.222 -10.996 12.512 1.00 0.61 N ATOM 551 CA GLY A 34 -7.441 -10.965 13.298 1.00 0.93 C ATOM 552 C GLY A 34 -8.415 -12.050 12.841 1.00 2.66 C ATOM 553 O GLY A 34 -8.792 -12.908 13.637 1.00 3.60 O ATOM 0 H GLY A 34 -6.274 -10.417 11.674 1.00 0.61 H new ATOM 0 HA2 GLY A 34 -7.202 -11.106 14.352 1.00 0.93 H new ATOM 0 HA3 GLY A 34 -7.912 -9.986 13.206 1.00 0.93 H new ATOM 557 N LEU A 35 -8.864 -11.979 11.584 1.00 3.57 N ATOM 558 CA LEU A 35 -9.889 -12.818 11.004 1.00 5.53 C ATOM 559 C LEU A 35 -9.530 -13.043 9.538 1.00 6.58 C ATOM 560 O LEU A 35 -9.232 -12.056 8.867 1.00 6.64 O ATOM 561 CB LEU A 35 -11.227 -12.074 11.082 1.00 6.18 C ATOM 562 CG LEU A 35 -11.835 -11.953 12.489 1.00 6.68 C ATOM 563 CD1 LEU A 35 -13.094 -11.083 12.415 1.00 7.51 C ATOM 564 CD2 LEU A 35 -12.207 -13.320 13.077 1.00 7.96 C ATOM 565 OXT LEU A 35 -9.656 -14.170 9.067 1.00 7.80 O ATOM 0 H LEU A 35 -8.497 -11.297 10.920 1.00 3.57 H new ATOM 0 HA LEU A 35 -9.963 -13.769 11.531 1.00 5.53 H new ATOM 0 HB2 LEU A 35 -11.090 -11.071 10.677 1.00 6.18 H new ATOM 0 HB3 LEU A 35 -11.944 -12.583 10.438 1.00 6.18 H new ATOM 0 HG LEU A 35 -11.085 -11.502 13.139 1.00 6.68 H new ATOM 0 HD11 LEU A 35 -13.532 -10.992 13.409 1.00 7.51 H new ATOM 0 HD12 LEU A 35 -12.831 -10.093 12.042 1.00 7.51 H new ATOM 0 HD13 LEU A 35 -13.816 -11.544 11.741 1.00 7.51 H new ATOM 0 HD21 LEU A 35 -12.633 -13.185 14.071 1.00 7.96 H new ATOM 0 HD22 LEU A 35 -12.939 -13.806 12.432 1.00 7.96 H new ATOM 0 HD23 LEU A 35 -11.314 -13.942 13.146 1.00 7.96 H new TER 577 LEU A 35