USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 438 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 29 ASN : amide:sc= 0.911 K(o=0.99,f=-2.3!) USER MOD Set 1.2: A 38 SER OG : rot -88:sc= 0.742 USER MOD Set 1.3: A 40 THR OG1 : rot -140:sc= -0.663 USER MOD Single : A 3 GLN : amide:sc= 0.0804 X(o=0.08,f=0) USER MOD Single : A 4 CYS SG : rot 180:sc= -1.85 USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= -0.105 (180deg=-0.198) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.547 K(o=-0.55,f=-3.7!) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -0.13 (180deg=-0.61) USER MOD Single : A 42 ASN : amide:sc=-0.00664 X(o=-0.0066,f=-0.16) USER MOD Single : A 43 ASN : amide:sc= -0.135 K(o=-0.14,f=-0.92) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0.172 (180deg=0.14) USER MOD Single : A 50 SER OG : rot 143:sc= 2.13 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -1.249 11.076 5.965 1.00 0.00 N ATOM 21 CA ARG A 2 -2.022 9.974 5.403 1.00 0.00 C ATOM 22 C ARG A 2 -1.104 8.928 4.779 1.00 0.00 C ATOM 23 O ARG A 2 -0.932 8.886 3.561 1.00 0.00 O ATOM 24 CB ARG A 2 -3.010 10.499 4.357 1.00 0.00 C ATOM 25 CG ARG A 2 -4.457 10.475 4.822 1.00 0.00 C ATOM 26 CD ARG A 2 -5.419 10.606 3.653 1.00 0.00 C ATOM 27 NE ARG A 2 -6.729 11.097 4.074 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.801 11.120 3.285 1.00 0.00 C ATOM 29 NH1 ARG A 2 -7.723 10.681 2.034 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.955 11.582 3.747 1.00 0.00 N ATOM 0 HA ARG A 2 -2.579 9.502 6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.739 11.521 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.918 9.901 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.654 9.544 5.354 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.627 11.288 5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.998 11.286 2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.534 9.637 3.168 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.828 11.442 5.029 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.838 10.324 1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.548 10.701 1.434 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.021 11.920 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.776 11.600 3.142 1.00 0.00 H new ATOM 44 N GLN A 3 -0.517 8.084 5.622 1.00 0.00 N ATOM 45 CA GLN A 3 0.384 7.038 5.152 1.00 0.00 C ATOM 46 C GLN A 3 0.179 5.749 5.943 1.00 0.00 C ATOM 47 O GLN A 3 -0.212 5.780 7.110 1.00 0.00 O ATOM 48 CB GLN A 3 1.839 7.498 5.270 1.00 0.00 C ATOM 49 CG GLN A 3 2.371 8.160 4.009 1.00 0.00 C ATOM 50 CD GLN A 3 3.599 9.010 4.272 1.00 0.00 C ATOM 51 OE1 GLN A 3 4.622 8.514 4.743 1.00 0.00 O ATOM 52 NE2 GLN A 3 3.503 10.299 3.966 1.00 0.00 N ATOM 0 H GLN A 3 -0.649 8.104 6.633 1.00 0.00 H new ATOM 0 HA GLN A 3 0.157 6.840 4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.924 8.198 6.101 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.465 6.639 5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.615 7.392 3.275 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.590 8.782 3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 3 2.635 10.668 3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.297 10.920 4.120 1.00 0.00 H new ATOM 61 N CYS A 4 0.445 4.618 5.298 1.00 0.00 N ATOM 62 CA CYS A 4 0.291 3.316 5.939 1.00 0.00 C ATOM 63 C CYS A 4 1.346 2.340 5.430 1.00 0.00 C ATOM 64 O CYS A 4 1.670 2.330 4.243 1.00 0.00 O ATOM 65 CB CYS A 4 -1.108 2.749 5.678 1.00 0.00 C ATOM 66 SG CYS A 4 -2.434 3.980 5.716 1.00 0.00 S ATOM 0 H CYS A 4 0.768 4.576 4.332 1.00 0.00 H new ATOM 0 HA CYS A 4 0.423 3.450 7.013 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.112 2.259 4.704 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.320 1.981 6.422 1.00 0.00 H new ATOM 0 HG CYS A 4 -3.573 3.398 5.482 1.00 0.00 H new ATOM 72 N LYS A 5 1.881 1.521 6.331 1.00 0.00 N ATOM 73 CA LYS A 5 2.900 0.549 5.955 1.00 0.00 C ATOM 74 C LYS A 5 2.419 -0.882 6.189 1.00 0.00 C ATOM 75 O LYS A 5 2.001 -1.241 7.286 1.00 0.00 O ATOM 76 CB LYS A 5 4.183 0.803 6.748 1.00 0.00 C ATOM 77 CG LYS A 5 5.294 -0.192 6.452 1.00 0.00 C ATOM 78 CD LYS A 5 5.864 -0.789 7.730 1.00 0.00 C ATOM 79 CE LYS A 5 7.050 0.014 8.241 1.00 0.00 C ATOM 80 NZ LYS A 5 6.698 0.822 9.441 1.00 0.00 N ATOM 0 H LYS A 5 1.628 1.511 7.319 1.00 0.00 H new ATOM 0 HA LYS A 5 3.101 0.668 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.541 1.809 6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.953 0.771 7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.909 -0.990 5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.089 0.304 5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.088 -0.821 8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.173 -1.818 7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.868 -0.663 8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.409 0.674 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.444 1.525 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.794 1.309 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.610 0.196 10.267 1.00 0.00 H new ATOM 94 N VAL A 6 2.501 -1.689 5.139 1.00 0.00 N ATOM 95 CA VAL A 6 2.093 -3.091 5.185 1.00 0.00 C ATOM 96 C VAL A 6 2.975 -3.893 6.139 1.00 0.00 C ATOM 97 O VAL A 6 4.178 -3.653 6.237 1.00 0.00 O ATOM 98 CB VAL A 6 2.166 -3.750 3.789 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.337 -5.023 3.759 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.717 -2.788 2.694 1.00 0.00 C ATOM 0 H VAL A 6 2.853 -1.391 4.229 1.00 0.00 H new ATOM 0 HA VAL A 6 1.062 -3.100 5.538 1.00 0.00 H new ATOM 0 HB VAL A 6 3.207 -4.007 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.399 -5.474 2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.719 -5.723 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.297 -4.786 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.781 -3.284 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.687 -2.482 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.362 -1.909 2.695 1.00 0.00 H new ATOM 110 N LEU A 7 2.370 -4.854 6.832 1.00 0.00 N ATOM 111 CA LEU A 7 3.104 -5.700 7.769 1.00 0.00 C ATOM 112 C LEU A 7 3.496 -7.026 7.119 1.00 0.00 C ATOM 113 O LEU A 7 4.421 -7.699 7.573 1.00 0.00 O ATOM 114 CB LEU A 7 2.266 -5.967 9.021 1.00 0.00 C ATOM 115 CG LEU A 7 1.466 -4.771 9.533 1.00 0.00 C ATOM 116 CD1 LEU A 7 0.265 -5.239 10.341 1.00 0.00 C ATOM 117 CD2 LEU A 7 2.351 -3.856 10.367 1.00 0.00 C ATOM 0 H LEU A 7 1.375 -5.066 6.763 1.00 0.00 H new ATOM 0 HA LEU A 7 4.013 -5.170 8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.575 -6.783 8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.928 -6.309 9.816 1.00 0.00 H new ATOM 0 HG LEU A 7 1.102 -4.206 8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.293 -4.373 10.698 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.380 -5.853 9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.606 -5.827 11.193 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.765 -3.009 10.724 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.745 -4.409 11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.178 -3.493 9.756 1.00 0.00 H new ATOM 129 N PHE A 8 2.786 -7.397 6.056 1.00 0.00 N ATOM 130 CA PHE A 8 3.060 -8.644 5.350 1.00 0.00 C ATOM 131 C PHE A 8 3.555 -8.373 3.933 1.00 0.00 C ATOM 132 O PHE A 8 3.662 -7.222 3.511 1.00 0.00 O ATOM 133 CB PHE A 8 1.802 -9.514 5.302 1.00 0.00 C ATOM 134 CG PHE A 8 1.487 -10.189 6.606 1.00 0.00 C ATOM 135 CD1 PHE A 8 1.197 -9.440 7.736 1.00 0.00 C ATOM 136 CD2 PHE A 8 1.482 -11.571 6.702 1.00 0.00 C ATOM 137 CE1 PHE A 8 0.907 -10.058 8.937 1.00 0.00 C ATOM 138 CE2 PHE A 8 1.192 -12.194 7.901 1.00 0.00 C ATOM 139 CZ PHE A 8 0.904 -11.437 9.020 1.00 0.00 C ATOM 0 H PHE A 8 2.017 -6.852 5.666 1.00 0.00 H new ATOM 0 HA PHE A 8 3.842 -9.173 5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.954 -8.896 5.009 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.925 -10.273 4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.198 -8.362 7.677 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.707 -12.168 5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.683 -9.464 9.810 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.191 -13.272 7.963 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.677 -11.922 9.958 1.00 0.00 H new ATOM 149 N GLU A 9 3.858 -9.443 3.204 1.00 0.00 N ATOM 150 CA GLU A 9 4.345 -9.323 1.835 1.00 0.00 C ATOM 151 C GLU A 9 3.280 -9.760 0.834 1.00 0.00 C ATOM 152 O GLU A 9 2.329 -10.456 1.188 1.00 0.00 O ATOM 153 CB GLU A 9 5.609 -10.164 1.648 1.00 0.00 C ATOM 154 CG GLU A 9 5.485 -11.576 2.199 1.00 0.00 C ATOM 155 CD GLU A 9 6.020 -12.625 1.244 1.00 0.00 C ATOM 156 OE1 GLU A 9 6.839 -12.270 0.370 1.00 0.00 O ATOM 157 OE2 GLU A 9 5.619 -13.801 1.369 1.00 0.00 O ATOM 0 H GLU A 9 3.775 -10.403 3.539 1.00 0.00 H new ATOM 0 HA GLU A 9 4.580 -8.275 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.847 -10.217 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.445 -9.664 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.024 -11.642 3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.438 -11.787 2.415 1.00 0.00 H new ATOM 164 N TYR A 10 3.449 -9.347 -0.419 1.00 0.00 N ATOM 165 CA TYR A 10 2.506 -9.696 -1.475 1.00 0.00 C ATOM 166 C TYR A 10 3.212 -9.784 -2.825 1.00 0.00 C ATOM 167 O TYR A 10 4.136 -9.019 -3.104 1.00 0.00 O ATOM 168 CB TYR A 10 1.377 -8.666 -1.544 1.00 0.00 C ATOM 169 CG TYR A 10 0.279 -9.035 -2.517 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.544 -10.129 -2.281 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.065 -8.289 -3.670 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.548 -10.471 -3.167 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.938 -8.624 -4.560 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.741 -9.715 -4.304 1.00 0.00 C ATOM 175 OH TYR A 10 -2.740 -10.052 -5.189 1.00 0.00 O ATOM 0 H TYR A 10 4.231 -8.770 -0.727 1.00 0.00 H new ATOM 0 HA TYR A 10 2.082 -10.672 -1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.945 -8.546 -0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.794 -7.700 -1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.397 -10.722 -1.390 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.692 -7.434 -3.874 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.178 -11.326 -2.970 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.092 -8.034 -5.451 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.743 -9.418 -5.936 1.00 0.00 H new ATOM 185 N ILE A 11 2.774 -10.723 -3.658 1.00 0.00 N ATOM 186 CA ILE A 11 3.366 -10.910 -4.977 1.00 0.00 C ATOM 187 C ILE A 11 2.417 -10.442 -6.079 1.00 0.00 C ATOM 188 O ILE A 11 1.419 -11.102 -6.367 1.00 0.00 O ATOM 189 CB ILE A 11 3.727 -12.388 -5.221 1.00 0.00 C ATOM 190 CG1 ILE A 11 4.516 -12.946 -4.036 1.00 0.00 C ATOM 191 CG2 ILE A 11 4.521 -12.535 -6.511 1.00 0.00 C ATOM 192 CD1 ILE A 11 3.638 -13.481 -2.925 1.00 0.00 C ATOM 0 H ILE A 11 2.012 -11.366 -3.443 1.00 0.00 H new ATOM 0 HA ILE A 11 4.275 -10.309 -5.006 1.00 0.00 H new ATOM 0 HB ILE A 11 2.804 -12.960 -5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.170 -13.744 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.158 -12.162 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.768 -13.585 -6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.925 -12.173 -7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.440 -11.953 -6.441 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.264 -13.861 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.003 -12.681 -2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.014 -14.288 -3.311 1.00 0.00 H new ATOM 204 N PRO A 12 2.714 -9.293 -6.714 1.00 0.00 N ATOM 205 CA PRO A 12 1.878 -8.748 -7.784 1.00 0.00 C ATOM 206 C PRO A 12 2.129 -9.430 -9.123 1.00 0.00 C ATOM 207 O PRO A 12 1.192 -9.776 -9.843 1.00 0.00 O ATOM 208 CB PRO A 12 2.305 -7.284 -7.840 1.00 0.00 C ATOM 209 CG PRO A 12 3.734 -7.293 -7.415 1.00 0.00 C ATOM 210 CD PRO A 12 3.883 -8.433 -6.438 1.00 0.00 C ATOM 0 HA PRO A 12 0.815 -8.894 -7.591 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.193 -6.876 -8.845 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.698 -6.668 -7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.393 -7.428 -8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.006 -6.346 -6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.819 -8.970 -6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.884 -8.078 -5.407 1.00 0.00 H new ATOM 218 N GLN A 13 3.401 -9.618 -9.449 1.00 0.00 N ATOM 219 CA GLN A 13 3.789 -10.259 -10.701 1.00 0.00 C ATOM 220 C GLN A 13 3.159 -9.551 -11.898 1.00 0.00 C ATOM 221 O GLN A 13 2.890 -10.171 -12.927 1.00 0.00 O ATOM 222 CB GLN A 13 3.379 -11.733 -10.692 1.00 0.00 C ATOM 223 CG GLN A 13 4.397 -12.642 -10.024 1.00 0.00 C ATOM 224 CD GLN A 13 5.634 -12.855 -10.874 1.00 0.00 C ATOM 225 OE1 GLN A 13 5.966 -12.031 -11.726 1.00 0.00 O ATOM 226 NE2 GLN A 13 6.324 -13.967 -10.646 1.00 0.00 N ATOM 0 H GLN A 13 4.185 -9.335 -8.862 1.00 0.00 H new ATOM 0 HA GLN A 13 4.873 -10.190 -10.793 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.423 -11.833 -10.178 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.226 -12.065 -11.719 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.689 -12.212 -9.066 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.935 -13.606 -9.814 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.012 -14.623 -9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.165 -14.165 -11.187 1.00 0.00 H new ATOM 235 N ASN A 14 2.926 -8.250 -11.757 1.00 0.00 N ATOM 236 CA ASN A 14 2.328 -7.460 -12.828 1.00 0.00 C ATOM 237 C ASN A 14 2.592 -5.972 -12.621 1.00 0.00 C ATOM 238 O ASN A 14 2.769 -5.514 -11.492 1.00 0.00 O ATOM 239 CB ASN A 14 0.822 -7.717 -12.898 1.00 0.00 C ATOM 240 CG ASN A 14 0.305 -7.739 -14.324 1.00 0.00 C ATOM 241 OD1 ASN A 14 0.194 -6.698 -14.972 1.00 0.00 O ATOM 242 ND2 ASN A 14 -0.013 -8.929 -14.819 1.00 0.00 N ATOM 0 H ASN A 14 3.142 -7.721 -10.912 1.00 0.00 H new ATOM 0 HA ASN A 14 2.787 -7.764 -13.769 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.596 -8.669 -12.418 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.298 -6.944 -12.336 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.366 -9.007 -15.773 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.095 -9.765 -14.245 1.00 0.00 H new ATOM 249 N GLU A 15 2.617 -5.223 -13.718 1.00 0.00 N ATOM 250 CA GLU A 15 2.859 -3.786 -13.658 1.00 0.00 C ATOM 251 C GLU A 15 1.704 -3.068 -12.967 1.00 0.00 C ATOM 252 O GLU A 15 1.900 -2.045 -12.311 1.00 0.00 O ATOM 253 CB GLU A 15 3.056 -3.221 -15.066 1.00 0.00 C ATOM 254 CG GLU A 15 1.867 -3.450 -15.985 1.00 0.00 C ATOM 255 CD GLU A 15 2.262 -3.503 -17.448 1.00 0.00 C ATOM 256 OE1 GLU A 15 3.300 -4.124 -17.760 1.00 0.00 O ATOM 257 OE2 GLU A 15 1.534 -2.923 -18.281 1.00 0.00 O ATOM 0 H GLU A 15 2.473 -5.587 -14.660 1.00 0.00 H new ATOM 0 HA GLU A 15 3.766 -3.620 -13.077 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.249 -2.151 -14.995 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.941 -3.676 -15.511 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.376 -4.384 -15.711 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.140 -2.652 -15.838 1.00 0.00 H new ATOM 264 N ASP A 16 0.500 -3.609 -13.121 1.00 0.00 N ATOM 265 CA ASP A 16 -0.688 -3.019 -12.513 1.00 0.00 C ATOM 266 C ASP A 16 -0.667 -3.189 -10.998 1.00 0.00 C ATOM 267 O ASP A 16 -1.113 -2.311 -10.259 1.00 0.00 O ATOM 268 CB ASP A 16 -1.952 -3.656 -13.092 1.00 0.00 C ATOM 269 CG ASP A 16 -2.349 -3.048 -14.423 1.00 0.00 C ATOM 270 OD1 ASP A 16 -2.991 -1.977 -14.418 1.00 0.00 O ATOM 271 OD2 ASP A 16 -2.017 -3.642 -15.470 1.00 0.00 O ATOM 0 H ASP A 16 0.321 -4.455 -13.662 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.690 -1.953 -12.740 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.791 -4.727 -13.219 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.772 -3.539 -12.383 1.00 0.00 H new ATOM 276 N GLU A 17 -0.147 -4.324 -10.541 1.00 0.00 N ATOM 277 CA GLU A 17 -0.069 -4.608 -9.113 1.00 0.00 C ATOM 278 C GLU A 17 1.329 -4.321 -8.577 1.00 0.00 C ATOM 279 O GLU A 17 2.329 -4.703 -9.185 1.00 0.00 O ATOM 280 CB GLU A 17 -0.444 -6.066 -8.841 1.00 0.00 C ATOM 281 CG GLU A 17 -1.834 -6.438 -9.329 1.00 0.00 C ATOM 282 CD GLU A 17 -2.484 -7.510 -8.476 1.00 0.00 C ATOM 283 OE1 GLU A 17 -2.772 -7.234 -7.293 1.00 0.00 O ATOM 284 OE2 GLU A 17 -2.704 -8.626 -8.991 1.00 0.00 O ATOM 0 H GLU A 17 0.226 -5.061 -11.139 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.776 -3.957 -8.599 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.287 -6.716 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.382 -6.255 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.464 -5.549 -9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.772 -6.787 -10.360 1.00 0.00 H new ATOM 291 N LEU A 18 1.393 -3.646 -7.434 1.00 0.00 N ATOM 292 CA LEU A 18 2.670 -3.309 -6.816 1.00 0.00 C ATOM 293 C LEU A 18 3.024 -4.309 -5.720 1.00 0.00 C ATOM 294 O LEU A 18 2.142 -4.875 -5.075 1.00 0.00 O ATOM 295 CB LEU A 18 2.625 -1.893 -6.238 1.00 0.00 C ATOM 296 CG LEU A 18 3.915 -1.088 -6.398 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.207 -0.836 -7.869 1.00 0.00 C ATOM 298 CD2 LEU A 18 3.820 0.227 -5.638 1.00 0.00 C ATOM 0 H LEU A 18 0.576 -3.322 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 18 3.440 -3.353 -7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.812 -1.347 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.384 -1.957 -5.177 1.00 0.00 H new ATOM 0 HG LEU A 18 4.738 -1.668 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.129 -0.262 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.318 -1.789 -8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.384 -0.276 -8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.747 0.787 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.987 0.813 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.658 0.024 -4.579 1.00 0.00 H new ATOM 310 N GLU A 19 4.319 -4.522 -5.516 1.00 0.00 N ATOM 311 CA GLU A 19 4.788 -5.455 -4.499 1.00 0.00 C ATOM 312 C GLU A 19 4.822 -4.792 -3.126 1.00 0.00 C ATOM 313 O GLU A 19 5.682 -3.955 -2.850 1.00 0.00 O ATOM 314 CB GLU A 19 6.180 -5.977 -4.860 1.00 0.00 C ATOM 315 CG GLU A 19 6.476 -7.357 -4.297 1.00 0.00 C ATOM 316 CD GLU A 19 7.675 -8.011 -4.956 1.00 0.00 C ATOM 317 OE1 GLU A 19 7.913 -7.744 -6.153 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.376 -8.790 -4.276 1.00 0.00 O ATOM 0 H GLU A 19 5.062 -4.061 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 19 4.091 -6.292 -4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.277 -6.008 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.929 -5.275 -4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.654 -7.277 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.601 -7.994 -4.428 1.00 0.00 H new ATOM 325 N LEU A 20 3.882 -5.173 -2.268 1.00 0.00 N ATOM 326 CA LEU A 20 3.805 -4.617 -0.922 1.00 0.00 C ATOM 327 C LEU A 20 4.682 -5.409 0.041 1.00 0.00 C ATOM 328 O LEU A 20 4.205 -6.305 0.736 1.00 0.00 O ATOM 329 CB LEU A 20 2.356 -4.619 -0.429 1.00 0.00 C ATOM 330 CG LEU A 20 1.476 -3.506 -0.999 1.00 0.00 C ATOM 331 CD1 LEU A 20 0.011 -3.777 -0.698 1.00 0.00 C ATOM 332 CD2 LEU A 20 1.896 -2.155 -0.438 1.00 0.00 C ATOM 0 H LEU A 20 3.163 -5.864 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 20 4.168 -3.590 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.905 -5.580 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.358 -4.539 0.658 1.00 0.00 H new ATOM 0 HG LEU A 20 1.605 -3.485 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.600 -2.974 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.283 -4.725 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.136 -3.826 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.259 -1.374 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.796 -2.165 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.934 -1.957 -0.705 1.00 0.00 H new ATOM 344 N LYS A 21 5.968 -5.073 0.076 1.00 0.00 N ATOM 345 CA LYS A 21 6.913 -5.755 0.952 1.00 0.00 C ATOM 346 C LYS A 21 6.802 -5.238 2.383 1.00 0.00 C ATOM 347 O LYS A 21 6.567 -4.051 2.609 1.00 0.00 O ATOM 348 CB LYS A 21 8.342 -5.568 0.438 1.00 0.00 C ATOM 349 CG LYS A 21 9.202 -6.815 0.564 1.00 0.00 C ATOM 350 CD LYS A 21 10.573 -6.611 -0.061 1.00 0.00 C ATOM 351 CE LYS A 21 11.463 -7.827 0.139 1.00 0.00 C ATOM 352 NZ LYS A 21 11.508 -8.254 1.565 1.00 0.00 N ATOM 0 H LYS A 21 6.379 -4.332 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 21 6.669 -6.817 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.306 -5.266 -0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.814 -4.754 0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.316 -7.075 1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.702 -7.654 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.462 -6.411 -1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.048 -5.735 0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.097 -8.650 -0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.472 -7.598 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.333 -8.868 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.582 -7.416 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.640 -8.777 1.798 1.00 0.00 H new ATOM 366 N VAL A 22 6.973 -6.138 3.347 1.00 0.00 N ATOM 367 CA VAL A 22 6.894 -5.775 4.756 1.00 0.00 C ATOM 368 C VAL A 22 7.913 -4.694 5.103 1.00 0.00 C ATOM 369 O VAL A 22 9.075 -4.773 4.705 1.00 0.00 O ATOM 370 CB VAL A 22 7.125 -6.999 5.665 1.00 0.00 C ATOM 371 CG1 VAL A 22 8.508 -7.590 5.429 1.00 0.00 C ATOM 372 CG2 VAL A 22 6.939 -6.625 7.128 1.00 0.00 C ATOM 0 H VAL A 22 7.167 -7.125 3.177 1.00 0.00 H new ATOM 0 HA VAL A 22 5.889 -5.390 4.929 1.00 0.00 H new ATOM 0 HB VAL A 22 6.384 -7.757 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.651 -8.452 6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.598 -7.902 4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.267 -6.839 5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.106 -7.503 7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.652 -5.846 7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.925 -6.258 7.283 1.00 0.00 H new ATOM 382 N GLY A 23 7.470 -3.685 5.846 1.00 0.00 N ATOM 383 CA GLY A 23 8.359 -2.605 6.232 1.00 0.00 C ATOM 384 C GLY A 23 8.312 -1.432 5.268 1.00 0.00 C ATOM 385 O GLY A 23 8.932 -0.397 5.514 1.00 0.00 O ATOM 0 H GLY A 23 6.513 -3.596 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.092 -2.260 7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.380 -2.983 6.288 1.00 0.00 H new ATOM 389 N ASP A 24 7.581 -1.591 4.167 1.00 0.00 N ATOM 390 CA ASP A 24 7.467 -0.533 3.170 1.00 0.00 C ATOM 391 C ASP A 24 6.185 0.270 3.369 1.00 0.00 C ATOM 392 O ASP A 24 5.100 -0.297 3.500 1.00 0.00 O ATOM 393 CB ASP A 24 7.501 -1.129 1.760 1.00 0.00 C ATOM 394 CG ASP A 24 8.671 -0.617 0.943 1.00 0.00 C ATOM 395 OD1 ASP A 24 8.721 0.603 0.677 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.537 -1.435 0.569 1.00 0.00 O ATOM 0 H ASP A 24 7.061 -2.440 3.944 1.00 0.00 H new ATOM 0 HA ASP A 24 8.315 0.141 3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.558 -2.215 1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.570 -0.891 1.245 1.00 0.00 H new ATOM 401 N ILE A 25 6.317 1.592 3.385 1.00 0.00 N ATOM 402 CA ILE A 25 5.169 2.474 3.562 1.00 0.00 C ATOM 403 C ILE A 25 4.802 3.158 2.249 1.00 0.00 C ATOM 404 O ILE A 25 5.641 3.798 1.616 1.00 0.00 O ATOM 405 CB ILE A 25 5.440 3.548 4.637 1.00 0.00 C ATOM 406 CG1 ILE A 25 4.171 4.357 4.914 1.00 0.00 C ATOM 407 CG2 ILE A 25 6.575 4.465 4.205 1.00 0.00 C ATOM 408 CD1 ILE A 25 3.954 4.658 6.381 1.00 0.00 C ATOM 0 H ILE A 25 7.208 2.077 3.277 1.00 0.00 H new ATOM 0 HA ILE A 25 4.337 1.852 3.891 1.00 0.00 H new ATOM 0 HB ILE A 25 5.738 3.046 5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.221 5.296 4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.310 3.808 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.750 5.215 4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.481 3.878 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.307 4.960 3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.037 5.234 6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.872 3.723 6.936 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.797 5.234 6.763 1.00 0.00 H new ATOM 420 N ILE A 26 3.544 3.017 1.844 1.00 0.00 N ATOM 421 CA ILE A 26 3.071 3.621 0.605 1.00 0.00 C ATOM 422 C ILE A 26 1.952 4.623 0.871 1.00 0.00 C ATOM 423 O ILE A 26 1.075 4.384 1.700 1.00 0.00 O ATOM 424 CB ILE A 26 2.562 2.552 -0.383 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.560 1.396 -0.479 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.325 3.169 -1.753 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.347 0.326 0.568 1.00 0.00 C ATOM 0 H ILE A 26 2.835 2.491 2.355 1.00 0.00 H new ATOM 0 HA ILE A 26 3.922 4.140 0.163 1.00 0.00 H new ATOM 0 HB ILE A 26 1.615 2.159 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.487 0.945 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.571 1.791 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.966 2.403 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.580 3.961 -1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.259 3.586 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.090 -0.461 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.449 0.763 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.348 -0.096 0.459 1.00 0.00 H new ATOM 439 N ASP A 27 1.990 5.745 0.160 1.00 0.00 N ATOM 440 CA ASP A 27 0.978 6.784 0.317 1.00 0.00 C ATOM 441 C ASP A 27 -0.148 6.601 -0.696 1.00 0.00 C ATOM 442 O ASP A 27 0.095 6.514 -1.899 1.00 0.00 O ATOM 443 CB ASP A 27 1.607 8.169 0.154 1.00 0.00 C ATOM 444 CG ASP A 27 0.936 9.215 1.022 1.00 0.00 C ATOM 445 OD1 ASP A 27 -0.313 9.246 1.056 1.00 0.00 O ATOM 446 OD2 ASP A 27 1.658 10.002 1.669 1.00 0.00 O ATOM 0 H ASP A 27 2.710 5.958 -0.530 1.00 0.00 H new ATOM 0 HA ASP A 27 0.559 6.700 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.666 8.116 0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.544 8.473 -0.891 1.00 0.00 H new ATOM 451 N ILE A 28 -1.379 6.543 -0.200 1.00 0.00 N ATOM 452 CA ILE A 28 -2.543 6.369 -1.061 1.00 0.00 C ATOM 453 C ILE A 28 -2.785 7.607 -1.916 1.00 0.00 C ATOM 454 O ILE A 28 -2.711 8.735 -1.429 1.00 0.00 O ATOM 455 CB ILE A 28 -3.814 6.071 -0.242 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.506 5.083 0.886 1.00 0.00 C ATOM 457 CG2 ILE A 28 -4.911 5.529 -1.146 1.00 0.00 C ATOM 458 CD1 ILE A 28 -3.356 5.741 2.241 1.00 0.00 C ATOM 0 H ILE A 28 -1.597 6.614 0.794 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.329 5.518 -1.707 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.165 7.001 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.304 4.342 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.588 4.547 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.802 5.323 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.148 6.266 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.570 4.609 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.139 4.982 2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.539 6.462 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.282 6.254 2.501 1.00 0.00 H new ATOM 470 N ASN A 29 -3.077 7.389 -3.194 1.00 0.00 N ATOM 471 CA ASN A 29 -3.332 8.488 -4.118 1.00 0.00 C ATOM 472 C ASN A 29 -4.822 8.601 -4.428 1.00 0.00 C ATOM 473 O ASN A 29 -5.351 9.701 -4.584 1.00 0.00 O ATOM 474 CB ASN A 29 -2.544 8.287 -5.414 1.00 0.00 C ATOM 475 CG ASN A 29 -2.696 6.886 -5.972 1.00 0.00 C ATOM 476 OD1 ASN A 29 -2.309 5.906 -5.335 1.00 0.00 O ATOM 477 ND2 ASN A 29 -3.261 6.784 -7.169 1.00 0.00 N ATOM 0 H ASN A 29 -3.143 6.462 -3.613 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.005 9.413 -3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.882 9.010 -6.157 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.489 8.489 -5.229 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.389 5.867 -7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.567 7.623 -7.662 1.00 0.00 H new ATOM 484 N GLU A 30 -5.491 7.456 -4.514 1.00 0.00 N ATOM 485 CA GLU A 30 -6.920 7.426 -4.803 1.00 0.00 C ATOM 486 C GLU A 30 -7.499 6.039 -4.542 1.00 0.00 C ATOM 487 O GLU A 30 -6.969 5.035 -5.017 1.00 0.00 O ATOM 488 CB GLU A 30 -7.177 7.835 -6.256 1.00 0.00 C ATOM 489 CG GLU A 30 -8.357 8.779 -6.423 1.00 0.00 C ATOM 490 CD GLU A 30 -9.275 8.370 -7.558 1.00 0.00 C ATOM 491 OE1 GLU A 30 -8.773 8.159 -8.682 1.00 0.00 O ATOM 492 OE2 GLU A 30 -10.497 8.262 -7.323 1.00 0.00 O ATOM 0 H GLU A 30 -5.067 6.537 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.414 8.136 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.282 8.312 -6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.352 6.939 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.926 8.811 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.987 9.788 -6.605 1.00 0.00 H new ATOM 499 N GLU A 31 -8.590 5.992 -3.785 1.00 0.00 N ATOM 500 CA GLU A 31 -9.242 4.728 -3.462 1.00 0.00 C ATOM 501 C GLU A 31 -10.063 4.222 -4.644 1.00 0.00 C ATOM 502 O GLU A 31 -10.953 4.916 -5.136 1.00 0.00 O ATOM 503 CB GLU A 31 -10.140 4.892 -2.234 1.00 0.00 C ATOM 504 CG GLU A 31 -9.376 5.213 -0.960 1.00 0.00 C ATOM 505 CD GLU A 31 -10.138 6.151 -0.045 1.00 0.00 C ATOM 506 OE1 GLU A 31 -11.357 5.945 0.135 1.00 0.00 O ATOM 507 OE2 GLU A 31 -9.517 7.092 0.492 1.00 0.00 O ATOM 0 H GLU A 31 -9.041 6.814 -3.384 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.467 3.994 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.861 5.687 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.709 3.974 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.160 4.287 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.417 5.663 -1.219 1.00 0.00 H new ATOM 514 N VAL A 32 -9.757 3.011 -5.096 1.00 0.00 N ATOM 515 CA VAL A 32 -10.466 2.414 -6.221 1.00 0.00 C ATOM 516 C VAL A 32 -11.892 2.033 -5.835 1.00 0.00 C ATOM 517 O VAL A 32 -12.857 2.560 -6.388 1.00 0.00 O ATOM 518 CB VAL A 32 -9.736 1.160 -6.744 1.00 0.00 C ATOM 519 CG1 VAL A 32 -10.392 0.651 -8.019 1.00 0.00 C ATOM 520 CG2 VAL A 32 -8.261 1.456 -6.976 1.00 0.00 C ATOM 0 H VAL A 32 -9.023 2.424 -4.700 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.495 3.166 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.811 0.379 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.863 -0.234 -8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.432 0.395 -7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.352 1.427 -8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.764 0.559 -7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.161 2.254 -7.711 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.800 1.767 -6.038 1.00 0.00 H new ATOM 530 N GLU A 33 -12.015 1.114 -4.884 1.00 0.00 N ATOM 531 CA GLU A 33 -13.323 0.660 -4.423 1.00 0.00 C ATOM 532 C GLU A 33 -13.349 0.547 -2.900 1.00 0.00 C ATOM 533 O GLU A 33 -12.529 1.154 -2.211 1.00 0.00 O ATOM 534 CB GLU A 33 -13.665 -0.690 -5.061 1.00 0.00 C ATOM 535 CG GLU A 33 -13.304 -0.778 -6.535 1.00 0.00 C ATOM 536 CD GLU A 33 -13.557 -2.156 -7.116 1.00 0.00 C ATOM 537 OE1 GLU A 33 -14.578 -2.776 -6.751 1.00 0.00 O ATOM 538 OE2 GLU A 33 -12.734 -2.615 -7.936 1.00 0.00 O ATOM 0 H GLU A 33 -11.225 0.668 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.070 1.394 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.143 -1.480 -4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.733 -0.876 -4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.883 -0.041 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.253 -0.521 -6.664 1.00 0.00 H new ATOM 545 N GLU A 34 -14.292 -0.235 -2.377 1.00 0.00 N ATOM 546 CA GLU A 34 -14.415 -0.424 -0.936 1.00 0.00 C ATOM 547 C GLU A 34 -13.622 -1.644 -0.475 1.00 0.00 C ATOM 548 O GLU A 34 -13.990 -2.307 0.495 1.00 0.00 O ATOM 549 CB GLU A 34 -15.886 -0.580 -0.545 1.00 0.00 C ATOM 550 CG GLU A 34 -16.541 -1.822 -1.128 1.00 0.00 C ATOM 551 CD GLU A 34 -17.959 -1.567 -1.597 1.00 0.00 C ATOM 552 OE1 GLU A 34 -18.878 -1.589 -0.751 1.00 0.00 O ATOM 553 OE2 GLU A 34 -18.152 -1.344 -2.811 1.00 0.00 O ATOM 0 H GLU A 34 -14.980 -0.746 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.006 0.458 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.963 -0.615 0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -16.437 0.301 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.945 -2.184 -1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.547 -2.612 -0.377 1.00 0.00 H new ATOM 560 N GLY A 35 -12.531 -1.935 -1.177 1.00 0.00 N ATOM 561 CA GLY A 35 -11.700 -3.071 -0.828 1.00 0.00 C ATOM 562 C GLY A 35 -10.284 -2.927 -1.350 1.00 0.00 C ATOM 563 O GLY A 35 -9.321 -3.220 -0.643 1.00 0.00 O ATOM 0 H GLY A 35 -12.208 -1.402 -1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.676 -3.182 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.143 -3.981 -1.232 1.00 0.00 H new ATOM 567 N TRP A 36 -10.160 -2.471 -2.593 1.00 0.00 N ATOM 568 CA TRP A 36 -8.854 -2.283 -3.213 1.00 0.00 C ATOM 569 C TRP A 36 -8.391 -0.837 -3.067 1.00 0.00 C ATOM 570 O TRP A 36 -9.142 0.097 -3.350 1.00 0.00 O ATOM 571 CB TRP A 36 -8.909 -2.668 -4.692 1.00 0.00 C ATOM 572 CG TRP A 36 -9.549 -4.000 -4.936 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.882 -4.253 -5.086 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.884 -5.262 -5.056 1.00 0.00 C ATOM 575 NE1 TRP A 36 -11.087 -5.596 -5.292 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.876 -6.237 -5.278 1.00 0.00 C ATOM 577 CE3 TRP A 36 -7.547 -5.664 -4.998 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -9.571 -7.585 -5.442 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -7.246 -7.003 -5.160 1.00 0.00 C ATOM 580 CH2 TRP A 36 -8.254 -7.950 -5.381 1.00 0.00 C ATOM 0 H TRP A 36 -10.949 -2.225 -3.190 1.00 0.00 H new ATOM 0 HA TRP A 36 -8.138 -2.929 -2.705 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.460 -1.903 -5.239 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.896 -2.681 -5.095 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.662 -3.507 -5.048 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.993 -6.043 -5.432 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.763 -4.941 -4.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -10.347 -8.317 -5.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -6.216 -7.325 -5.115 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.986 -8.989 -5.506 1.00 0.00 H new ATOM 591 N TRP A 37 -7.152 -0.658 -2.621 1.00 0.00 N ATOM 592 CA TRP A 37 -6.591 0.675 -2.435 1.00 0.00 C ATOM 593 C TRP A 37 -5.434 0.922 -3.398 1.00 0.00 C ATOM 594 O TRP A 37 -4.865 -0.018 -3.954 1.00 0.00 O ATOM 595 CB TRP A 37 -6.117 0.855 -0.992 1.00 0.00 C ATOM 596 CG TRP A 37 -7.200 1.316 -0.066 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.539 1.077 -0.185 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.037 2.099 1.122 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.218 1.662 0.857 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.317 2.296 1.672 1.00 0.00 C ATOM 601 CE3 TRP A 37 -5.931 2.652 1.774 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -8.521 3.021 2.843 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.135 3.372 2.936 1.00 0.00 C ATOM 604 CH2 TRP A 37 -7.421 3.551 3.461 1.00 0.00 C ATOM 0 H TRP A 37 -6.517 -1.420 -2.382 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.375 1.402 -2.647 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.716 -0.091 -0.628 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.300 1.577 -0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.998 0.511 -0.982 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.227 1.630 1.000 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.935 2.519 1.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.512 3.160 3.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.288 3.804 3.448 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.547 4.118 4.371 1.00 0.00 H new ATOM 615 N SER A 38 -5.092 2.192 -3.590 1.00 0.00 N ATOM 616 CA SER A 38 -4.004 2.565 -4.486 1.00 0.00 C ATOM 617 C SER A 38 -2.808 3.092 -3.700 1.00 0.00 C ATOM 618 O SER A 38 -2.950 3.548 -2.565 1.00 0.00 O ATOM 619 CB SER A 38 -4.479 3.624 -5.482 1.00 0.00 C ATOM 620 OG SER A 38 -3.574 3.747 -6.566 1.00 0.00 O ATOM 0 H SER A 38 -5.553 2.981 -3.136 1.00 0.00 H new ATOM 0 HA SER A 38 -3.693 1.674 -5.031 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.467 3.357 -5.857 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.579 4.585 -4.976 1.00 0.00 H new ATOM 0 HG SER A 38 -2.881 4.402 -6.341 1.00 0.00 H new ATOM 626 N GLY A 39 -1.630 3.028 -4.312 1.00 0.00 N ATOM 627 CA GLY A 39 -0.426 3.502 -3.655 1.00 0.00 C ATOM 628 C GLY A 39 0.515 4.210 -4.611 1.00 0.00 C ATOM 629 O GLY A 39 0.529 3.920 -5.807 1.00 0.00 O ATOM 0 H GLY A 39 -1.488 2.656 -5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.700 4.182 -2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.092 2.658 -3.199 1.00 0.00 H new ATOM 633 N THR A 40 1.302 5.140 -4.081 1.00 0.00 N ATOM 634 CA THR A 40 2.251 5.891 -4.895 1.00 0.00 C ATOM 635 C THR A 40 3.594 6.020 -4.184 1.00 0.00 C ATOM 636 O THR A 40 3.706 6.704 -3.167 1.00 0.00 O ATOM 637 CB THR A 40 1.695 7.280 -5.213 1.00 0.00 C ATOM 638 OG1 THR A 40 0.356 7.191 -5.668 1.00 0.00 O ATOM 639 CG2 THR A 40 2.491 8.015 -6.269 1.00 0.00 C ATOM 0 H THR A 40 1.302 5.392 -3.093 1.00 0.00 H new ATOM 0 HA THR A 40 2.403 5.346 -5.827 1.00 0.00 H new ATOM 0 HB THR A 40 1.759 7.838 -4.279 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.217 7.825 -6.403 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.043 8.993 -6.447 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.518 8.143 -5.927 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.486 7.440 -7.195 1.00 0.00 H new ATOM 647 N LEU A 41 4.611 5.357 -4.725 1.00 0.00 N ATOM 648 CA LEU A 41 5.947 5.398 -4.142 1.00 0.00 C ATOM 649 C LEU A 41 6.913 6.158 -5.046 1.00 0.00 C ATOM 650 O LEU A 41 7.594 5.564 -5.882 1.00 0.00 O ATOM 651 CB LEU A 41 6.463 3.977 -3.898 1.00 0.00 C ATOM 652 CG LEU A 41 7.095 3.745 -2.525 1.00 0.00 C ATOM 653 CD1 LEU A 41 8.254 4.704 -2.302 1.00 0.00 C ATOM 654 CD2 LEU A 41 6.054 3.900 -1.427 1.00 0.00 C ATOM 0 H LEU A 41 4.535 4.785 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 41 5.885 5.922 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.635 3.280 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.199 3.737 -4.665 1.00 0.00 H new ATOM 0 HG LEU A 41 7.482 2.726 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.691 4.524 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.010 4.545 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.892 5.731 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.521 3.732 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.638 4.907 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.256 3.173 -1.577 1.00 0.00 H new ATOM 666 N ASN A 42 6.966 7.475 -4.871 1.00 0.00 N ATOM 667 CA ASN A 42 7.847 8.322 -5.669 1.00 0.00 C ATOM 668 C ASN A 42 7.413 8.336 -7.133 1.00 0.00 C ATOM 669 O ASN A 42 6.856 9.322 -7.615 1.00 0.00 O ATOM 670 CB ASN A 42 9.298 7.842 -5.555 1.00 0.00 C ATOM 671 CG ASN A 42 10.249 8.962 -5.182 1.00 0.00 C ATOM 672 OD1 ASN A 42 10.153 10.073 -5.704 1.00 0.00 O ATOM 673 ND2 ASN A 42 11.175 8.675 -4.275 1.00 0.00 N ATOM 0 H ASN A 42 6.408 7.980 -4.182 1.00 0.00 H new ATOM 0 HA ASN A 42 7.779 9.338 -5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.359 7.053 -4.806 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.609 7.406 -6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.843 9.389 -3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.218 7.741 -3.868 1.00 0.00 H new ATOM 680 N ASN A 43 7.673 7.237 -7.834 1.00 0.00 N ATOM 681 CA ASN A 43 7.308 7.125 -9.241 1.00 0.00 C ATOM 682 C ASN A 43 6.873 5.702 -9.579 1.00 0.00 C ATOM 683 O ASN A 43 7.070 5.231 -10.699 1.00 0.00 O ATOM 684 CB ASN A 43 8.486 7.539 -10.128 1.00 0.00 C ATOM 685 CG ASN A 43 8.135 8.685 -11.057 1.00 0.00 C ATOM 686 OD1 ASN A 43 6.988 8.829 -11.478 1.00 0.00 O ATOM 687 ND2 ASN A 43 9.126 9.508 -11.381 1.00 0.00 N ATOM 0 H ASN A 43 8.135 6.412 -7.451 1.00 0.00 H new ATOM 0 HA ASN A 43 6.468 7.794 -9.429 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.327 7.830 -9.498 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.811 6.683 -10.719 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.951 10.298 -12.002 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.062 9.350 -11.008 1.00 0.00 H new ATOM 694 N LYS A 44 6.281 5.022 -8.602 1.00 0.00 N ATOM 695 CA LYS A 44 5.817 3.653 -8.795 1.00 0.00 C ATOM 696 C LYS A 44 4.313 3.550 -8.559 1.00 0.00 C ATOM 697 O LYS A 44 3.838 3.721 -7.436 1.00 0.00 O ATOM 698 CB LYS A 44 6.562 2.703 -7.854 1.00 0.00 C ATOM 699 CG LYS A 44 7.039 1.427 -8.528 1.00 0.00 C ATOM 700 CD LYS A 44 8.088 1.714 -9.592 1.00 0.00 C ATOM 701 CE LYS A 44 7.579 1.380 -10.986 1.00 0.00 C ATOM 702 NZ LYS A 44 7.957 2.423 -11.980 1.00 0.00 N ATOM 0 H LYS A 44 6.111 5.397 -7.669 1.00 0.00 H new ATOM 0 HA LYS A 44 6.024 3.366 -9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.421 3.224 -7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.907 2.442 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.455 0.753 -7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.190 0.915 -8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.371 2.766 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.987 1.133 -9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.983 0.417 -11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.494 1.278 -10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.454 2.250 -12.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.699 3.361 -11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.983 2.387 -12.148 1.00 0.00 H new ATOM 716 N LEU A 45 3.569 3.271 -9.624 1.00 0.00 N ATOM 717 CA LEU A 45 2.119 3.146 -9.534 1.00 0.00 C ATOM 718 C LEU A 45 1.697 1.680 -9.543 1.00 0.00 C ATOM 719 O LEU A 45 2.314 0.850 -10.211 1.00 0.00 O ATOM 720 CB LEU A 45 1.450 3.892 -10.691 1.00 0.00 C ATOM 721 CG LEU A 45 0.940 5.294 -10.348 1.00 0.00 C ATOM 722 CD1 LEU A 45 1.254 6.269 -11.472 1.00 0.00 C ATOM 723 CD2 LEU A 45 -0.556 5.263 -10.071 1.00 0.00 C ATOM 0 H LEU A 45 3.947 3.127 -10.560 1.00 0.00 H new ATOM 0 HA LEU A 45 1.798 3.590 -8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.162 3.972 -11.512 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.612 3.295 -11.052 1.00 0.00 H new ATOM 0 HG LEU A 45 1.451 5.634 -9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.883 7.260 -11.209 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.332 6.314 -11.624 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.772 5.933 -12.390 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.902 6.268 -9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.082 4.901 -10.954 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.757 4.598 -9.231 1.00 0.00 H new ATOM 735 N GLY A 46 0.642 1.369 -8.797 1.00 0.00 N ATOM 736 CA GLY A 46 0.155 0.003 -8.733 1.00 0.00 C ATOM 737 C GLY A 46 -1.051 -0.140 -7.826 1.00 0.00 C ATOM 738 O GLY A 46 -1.330 0.739 -7.010 1.00 0.00 O ATOM 0 H GLY A 46 0.115 2.038 -8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.107 -0.334 -9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.953 -0.648 -8.376 1.00 0.00 H new ATOM 742 N LEU A 47 -1.768 -1.250 -7.968 1.00 0.00 N ATOM 743 CA LEU A 47 -2.952 -1.505 -7.155 1.00 0.00 C ATOM 744 C LEU A 47 -2.829 -2.832 -6.415 1.00 0.00 C ATOM 745 O LEU A 47 -2.200 -3.771 -6.902 1.00 0.00 O ATOM 746 CB LEU A 47 -4.206 -1.512 -8.032 1.00 0.00 C ATOM 747 CG LEU A 47 -4.439 -0.234 -8.840 1.00 0.00 C ATOM 748 CD1 LEU A 47 -5.565 -0.435 -9.842 1.00 0.00 C ATOM 749 CD2 LEU A 47 -4.749 0.932 -7.913 1.00 0.00 C ATOM 0 H LEU A 47 -1.550 -1.987 -8.638 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.035 -0.706 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.143 -2.353 -8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.074 -1.685 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.527 -0.002 -9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.717 0.484 -10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.304 -1.243 -10.525 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.482 -0.690 -9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.912 1.833 -8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.646 0.709 -7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.911 1.090 -7.234 1.00 0.00 H new ATOM 761 N PHE A 48 -3.435 -2.903 -5.234 1.00 0.00 N ATOM 762 CA PHE A 48 -3.393 -4.117 -4.425 1.00 0.00 C ATOM 763 C PHE A 48 -4.485 -4.098 -3.359 1.00 0.00 C ATOM 764 O PHE A 48 -5.082 -3.056 -3.088 1.00 0.00 O ATOM 765 CB PHE A 48 -2.021 -4.276 -3.764 1.00 0.00 C ATOM 766 CG PHE A 48 -1.405 -2.977 -3.324 1.00 0.00 C ATOM 767 CD1 PHE A 48 -2.120 -2.086 -2.540 1.00 0.00 C ATOM 768 CD2 PHE A 48 -0.111 -2.649 -3.695 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.555 -0.891 -2.134 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.459 -1.457 -3.292 1.00 0.00 C ATOM 771 CZ PHE A 48 -0.264 -0.577 -2.511 1.00 0.00 C ATOM 0 H PHE A 48 -3.961 -2.135 -4.816 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.567 -4.966 -5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.119 -4.932 -2.899 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.346 -4.769 -4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.130 -2.328 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.459 -3.333 -4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.122 -0.204 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.469 -1.214 -3.587 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.180 0.356 -2.195 1.00 0.00 H new ATOM 781 N PRO A 49 -4.763 -5.258 -2.738 1.00 0.00 N ATOM 782 CA PRO A 49 -5.792 -5.370 -1.698 1.00 0.00 C ATOM 783 C PRO A 49 -5.533 -4.433 -0.523 1.00 0.00 C ATOM 784 O PRO A 49 -4.468 -4.472 0.092 1.00 0.00 O ATOM 785 CB PRO A 49 -5.694 -6.831 -1.245 1.00 0.00 C ATOM 786 CG PRO A 49 -5.037 -7.543 -2.377 1.00 0.00 C ATOM 787 CD PRO A 49 -4.102 -6.547 -3.001 1.00 0.00 C ATOM 0 HA PRO A 49 -6.777 -5.094 -2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.110 -6.922 -0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.680 -7.246 -1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.495 -8.421 -2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.774 -7.893 -3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.109 -6.590 -2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.977 -6.725 -4.069 1.00 0.00 H new ATOM 795 N SER A 50 -6.516 -3.594 -0.216 1.00 0.00 N ATOM 796 CA SER A 50 -6.397 -2.646 0.886 1.00 0.00 C ATOM 797 C SER A 50 -6.270 -3.370 2.224 1.00 0.00 C ATOM 798 O SER A 50 -5.807 -2.795 3.209 1.00 0.00 O ATOM 799 CB SER A 50 -7.609 -1.712 0.915 1.00 0.00 C ATOM 800 OG SER A 50 -7.414 -0.652 1.835 1.00 0.00 O ATOM 0 H SER A 50 -7.405 -3.551 -0.715 1.00 0.00 H new ATOM 0 HA SER A 50 -5.493 -2.058 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.783 -1.306 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.500 -2.276 1.189 1.00 0.00 H new ATOM 0 HG SER A 50 -7.811 0.169 1.477 1.00 0.00 H new ATOM 806 N ASN A 51 -6.686 -4.634 2.256 1.00 0.00 N ATOM 807 CA ASN A 51 -6.619 -5.428 3.477 1.00 0.00 C ATOM 808 C ASN A 51 -5.176 -5.601 3.940 1.00 0.00 C ATOM 809 O ASN A 51 -4.912 -5.748 5.133 1.00 0.00 O ATOM 810 CB ASN A 51 -7.261 -6.799 3.254 1.00 0.00 C ATOM 811 CG ASN A 51 -8.742 -6.804 3.581 1.00 0.00 C ATOM 812 OD1 ASN A 51 -9.141 -7.131 4.699 1.00 0.00 O ATOM 813 ND2 ASN A 51 -9.565 -6.442 2.605 1.00 0.00 N ATOM 0 H ASN A 51 -7.072 -5.128 1.451 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.168 -4.897 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.120 -7.099 2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.753 -7.540 3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.572 -6.427 2.766 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.191 -6.179 1.694 1.00 0.00 H new ATOM 820 N PHE A 52 -4.244 -5.581 2.992 1.00 0.00 N ATOM 821 CA PHE A 52 -2.830 -5.735 3.314 1.00 0.00 C ATOM 822 C PHE A 52 -2.324 -4.535 4.115 1.00 0.00 C ATOM 823 O PHE A 52 -2.353 -4.559 5.344 1.00 0.00 O ATOM 824 CB PHE A 52 -2.007 -5.912 2.035 1.00 0.00 C ATOM 825 CG PHE A 52 -2.016 -7.318 1.507 1.00 0.00 C ATOM 826 CD1 PHE A 52 -1.628 -8.377 2.312 1.00 0.00 C ATOM 827 CD2 PHE A 52 -2.412 -7.580 0.205 1.00 0.00 C ATOM 828 CE1 PHE A 52 -1.635 -9.671 1.829 1.00 0.00 C ATOM 829 CE2 PHE A 52 -2.421 -8.873 -0.284 1.00 0.00 C ATOM 830 CZ PHE A 52 -2.031 -9.920 0.529 1.00 0.00 C ATOM 0 H PHE A 52 -4.442 -5.460 1.999 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.713 -6.628 3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.394 -5.242 1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.977 -5.612 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.317 -8.188 3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.717 -6.765 -0.435 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.331 -10.488 2.467 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.732 -9.065 -1.300 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.036 -10.931 0.149 1.00 0.00 H new ATOM 840 N VAL A 53 -1.860 -3.496 3.404 1.00 0.00 N ATOM 841 CA VAL A 53 -1.342 -2.260 4.015 1.00 0.00 C ATOM 842 C VAL A 53 -1.746 -2.097 5.479 1.00 0.00 C ATOM 843 O VAL A 53 -2.853 -2.465 5.873 1.00 0.00 O ATOM 844 CB VAL A 53 -1.810 -1.018 3.233 1.00 0.00 C ATOM 845 CG1 VAL A 53 -1.117 -0.947 1.881 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.322 -1.029 3.067 1.00 0.00 C ATOM 0 H VAL A 53 -1.833 -3.489 2.384 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.256 -2.347 3.973 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.538 -0.129 3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.460 -0.063 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.039 -0.887 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.355 -1.840 1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.634 -0.144 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.622 -1.924 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.796 -1.027 4.049 1.00 0.00 H new ATOM 856 N LYS A 54 -0.855 -1.520 6.279 1.00 0.00 N ATOM 857 CA LYS A 54 -1.147 -1.304 7.689 1.00 0.00 C ATOM 858 C LYS A 54 -0.739 0.094 8.143 1.00 0.00 C ATOM 859 O LYS A 54 0.436 0.453 8.113 1.00 0.00 O ATOM 860 CB LYS A 54 -0.462 -2.361 8.556 1.00 0.00 C ATOM 861 CG LYS A 54 -0.752 -2.212 10.041 1.00 0.00 C ATOM 862 CD LYS A 54 -2.095 -2.822 10.411 1.00 0.00 C ATOM 863 CE LYS A 54 -2.531 -2.409 11.809 1.00 0.00 C ATOM 864 NZ LYS A 54 -2.814 -3.588 12.673 1.00 0.00 N ATOM 0 H LYS A 54 0.065 -1.197 5.978 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.226 -1.395 7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.783 -3.350 8.229 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.615 -2.307 8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.038 -2.693 10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.745 -1.156 10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.848 -2.511 9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.029 -3.909 10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.751 -1.801 12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.423 -1.786 11.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.108 -3.264 13.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.576 -4.155 12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.956 -4.170 12.758 1.00 0.00 H new ATOM 878 N GLU A 55 -1.725 0.877 8.571 1.00 0.00 N ATOM 879 CA GLU A 55 -1.480 2.236 9.038 1.00 0.00 C ATOM 880 C GLU A 55 -0.873 2.233 10.438 1.00 0.00 C ATOM 881 O GLU A 55 -1.311 1.487 11.314 1.00 0.00 O ATOM 882 CB GLU A 55 -2.784 3.037 9.037 1.00 0.00 C ATOM 883 CG GLU A 55 -3.807 2.537 10.044 1.00 0.00 C ATOM 884 CD GLU A 55 -5.171 2.300 9.424 1.00 0.00 C ATOM 885 OE1 GLU A 55 -5.334 1.281 8.720 1.00 0.00 O ATOM 886 OE2 GLU A 55 -6.074 3.134 9.641 1.00 0.00 O ATOM 0 H GLU A 55 -2.704 0.592 8.604 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.770 2.705 8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.559 4.082 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.221 3.002 8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.449 1.609 10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.901 3.263 10.852 1.00 0.00 H new ATOM 893 N LEU A 56 0.136 3.074 10.643 1.00 0.00 N ATOM 894 CA LEU A 56 0.801 3.171 11.937 1.00 0.00 C ATOM 895 C LEU A 56 0.083 4.167 12.843 1.00 0.00 C ATOM 896 O LEU A 56 0.315 5.373 12.763 1.00 0.00 O ATOM 897 CB LEU A 56 2.260 3.591 11.754 1.00 0.00 C ATOM 898 CG LEU A 56 3.040 2.788 10.712 1.00 0.00 C ATOM 899 CD1 LEU A 56 4.133 3.641 10.088 1.00 0.00 C ATOM 900 CD2 LEU A 56 3.632 1.536 11.341 1.00 0.00 C ATOM 0 H LEU A 56 0.511 3.698 9.929 1.00 0.00 H new ATOM 0 HA LEU A 56 0.770 2.189 12.409 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.286 4.644 11.473 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.770 3.504 12.713 1.00 0.00 H new ATOM 0 HG LEU A 56 2.351 2.485 9.924 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.677 3.052 9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.685 4.508 9.603 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.822 3.975 10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.184 0.976 10.586 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.307 1.819 12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.830 0.915 11.739 1.00 0.00 H new