USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 47 CYS SG : rot -75:sc= 0.684 USER MOD Set 1.2: A 48 THR OG1 : rot 52:sc= 0.0655 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.1) USER MOD Single : A 11 GLN : amide:sc=-0.00233 X(o=-0.0023,f=-0.18) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0198) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.09 X(o=-0.09,f=-0.016) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -56:sc= 0.291! USER MOD Single : A 35 GLN : amide:sc=-0.00266 X(o=-0.0027,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -133:sc= 0.513 USER MOD Single : A 38 SER OG : rot 65:sc= 0.00272 USER MOD Single : A 39 ASN : amide:sc= -0.332 K(o=-0.33,f=-2.9!) USER MOD Single : A 40 SER OG : rot 160:sc= -1.44! USER MOD Single : A 44 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.021) USER MOD Single : A 46 ASN : amide:sc= -6.82! C(o=-6.8!,f=-15!) USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= -1.82 (180deg=-3.38!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -0.048 -9.718 3.595 1.00 0.00 N ATOM 2 CA ARG A 1 -1.320 -9.028 3.463 1.00 0.00 C ATOM 3 C ARG A 1 -2.189 -9.276 4.699 1.00 0.00 C ATOM 4 O ARG A 1 -3.051 -10.152 4.691 1.00 0.00 O ATOM 5 CB ARG A 1 -2.074 -9.497 2.217 1.00 0.00 C ATOM 6 CG ARG A 1 -3.056 -8.427 1.736 1.00 0.00 C ATOM 7 CD ARG A 1 -3.696 -8.828 0.406 1.00 0.00 C ATOM 8 NE ARG A 1 -4.588 -7.749 -0.073 1.00 0.00 N ATOM 9 CZ ARG A 1 -5.364 -7.843 -1.161 1.00 0.00 C ATOM 10 NH1 ARG A 1 -5.363 -8.966 -1.890 1.00 0.00 N ATOM 11 NH2 ARG A 1 -6.142 -6.812 -1.521 1.00 0.00 N ATOM 0 H1 ARG A 1 0.532 -9.542 2.750 1.00 0.00 H new ATOM 0 H2 ARG A 1 0.451 -9.367 4.437 1.00 0.00 H new ATOM 0 H3 ARG A 1 -0.216 -10.740 3.693 1.00 0.00 H new ATOM 0 HA ARG A 1 -1.111 -7.962 3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -1.364 -9.727 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -2.614 -10.418 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -3.832 -8.277 2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -2.536 -7.476 1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -2.921 -9.026 -0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -4.262 -9.751 0.529 1.00 0.00 H new ATOM 0 HE ARG A 1 -4.614 -6.879 0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -4.771 -9.751 -1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -5.954 -9.037 -2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -6.143 -5.956 -0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -6.733 -6.884 -2.349 1.00 0.00 H new ATOM 22 N ILE A 2 -1.931 -8.487 5.732 1.00 0.00 N ATOM 23 CA ILE A 2 -2.678 -8.609 6.972 1.00 0.00 C ATOM 24 C ILE A 2 -2.895 -10.090 7.287 1.00 0.00 C ATOM 25 O ILE A 2 -4.021 -10.582 7.233 1.00 0.00 O ATOM 26 CB ILE A 2 -3.973 -7.799 6.899 1.00 0.00 C ATOM 27 CG1 ILE A 2 -3.711 -6.393 6.356 1.00 0.00 C ATOM 28 CG2 ILE A 2 -4.677 -7.767 8.257 1.00 0.00 C ATOM 29 CD1 ILE A 2 -2.543 -5.731 7.088 1.00 0.00 C ATOM 0 H ILE A 2 -1.215 -7.761 5.735 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.112 -8.186 7.802 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.646 -8.294 6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.493 -6.446 5.289 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.607 -5.783 6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.595 -7.185 8.177 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.918 -8.784 8.566 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.020 -7.309 8.997 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.378 -4.733 6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.774 -5.657 8.151 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.643 -6.330 6.954 1.00 0.00 H new ATOM 40 N TYR A 3 -1.799 -10.760 7.611 1.00 0.00 N ATOM 41 CA TYR A 3 -1.855 -12.175 7.935 1.00 0.00 C ATOM 42 C TYR A 3 -0.534 -12.652 8.543 1.00 0.00 C ATOM 43 O TYR A 3 -0.530 -13.440 9.487 1.00 0.00 O ATOM 44 CB TYR A 3 -2.085 -12.903 6.610 1.00 0.00 C ATOM 45 CG TYR A 3 -3.194 -13.956 6.661 1.00 0.00 C ATOM 46 CD1 TYR A 3 -2.904 -15.245 7.061 1.00 0.00 C ATOM 47 CD2 TYR A 3 -4.484 -13.617 6.308 1.00 0.00 C ATOM 48 CE1 TYR A 3 -3.947 -16.236 7.110 1.00 0.00 C ATOM 49 CE2 TYR A 3 -5.528 -14.608 6.357 1.00 0.00 C ATOM 50 CZ TYR A 3 -5.208 -15.869 6.754 1.00 0.00 C ATOM 51 OH TYR A 3 -6.194 -16.805 6.801 1.00 0.00 O ATOM 0 H TYR A 3 -0.867 -10.349 7.656 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.644 -12.371 8.662 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.330 -12.169 5.842 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.155 -13.384 6.306 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -1.894 -15.510 7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.711 -12.609 5.995 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.734 -17.248 7.422 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.542 -14.356 6.085 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.042 -16.401 6.521 1.00 0.00 H new ATOM 60 N LYS A 4 0.555 -12.154 7.976 1.00 0.00 N ATOM 61 CA LYS A 4 1.879 -12.519 8.451 1.00 0.00 C ATOM 62 C LYS A 4 2.237 -11.658 9.663 1.00 0.00 C ATOM 63 O LYS A 4 3.224 -10.924 9.638 1.00 0.00 O ATOM 64 CB LYS A 4 2.898 -12.433 7.312 1.00 0.00 C ATOM 65 CG LYS A 4 2.849 -13.686 6.435 1.00 0.00 C ATOM 66 CD LYS A 4 2.143 -13.400 5.109 1.00 0.00 C ATOM 67 CE LYS A 4 3.055 -12.615 4.162 1.00 0.00 C ATOM 68 NZ LYS A 4 2.463 -12.554 2.806 1.00 0.00 N ATOM 0 H LYS A 4 0.548 -11.501 7.192 1.00 0.00 H new ATOM 0 HA LYS A 4 1.892 -13.557 8.783 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.695 -11.551 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.900 -12.312 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.862 -14.039 6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.328 -14.484 6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.847 -14.339 4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.230 -12.834 5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.205 -11.606 4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.036 -13.088 4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.093 -12.018 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.342 -13.519 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.537 -12.082 2.852 1.00 0.00 H new ATOM 78 N GLY A 5 1.415 -11.776 10.696 1.00 0.00 N ATOM 79 CA GLY A 5 1.633 -11.018 11.915 1.00 0.00 C ATOM 80 C GLY A 5 2.273 -11.891 12.998 1.00 0.00 C ATOM 81 O GLY A 5 1.727 -12.029 14.091 1.00 0.00 O ATOM 0 H GLY A 5 0.597 -12.385 10.713 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.276 -10.163 11.706 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.684 -10.622 12.276 1.00 0.00 H new ATOM 85 N VAL A 6 3.420 -12.456 12.655 1.00 0.00 N ATOM 86 CA VAL A 6 4.140 -13.311 13.583 1.00 0.00 C ATOM 87 C VAL A 6 5.639 -13.229 13.288 1.00 0.00 C ATOM 88 O VAL A 6 6.446 -13.062 14.201 1.00 0.00 O ATOM 89 CB VAL A 6 3.594 -14.738 13.510 1.00 0.00 C ATOM 90 CG1 VAL A 6 3.669 -15.281 12.081 1.00 0.00 C ATOM 91 CG2 VAL A 6 4.331 -15.658 14.485 1.00 0.00 C ATOM 0 H VAL A 6 3.869 -12.339 11.747 1.00 0.00 H new ATOM 0 HA VAL A 6 3.992 -12.972 14.608 1.00 0.00 H new ATOM 0 HB VAL A 6 2.545 -14.710 13.804 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.275 -16.297 12.057 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.079 -14.647 11.419 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.707 -15.287 11.748 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.923 -16.666 14.413 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.392 -15.677 14.236 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.204 -15.287 15.502 1.00 0.00 H new ATOM 101 N ILE A 7 5.966 -13.350 12.010 1.00 0.00 N ATOM 102 CA ILE A 7 7.354 -13.291 11.583 1.00 0.00 C ATOM 103 C ILE A 7 7.851 -11.846 11.676 1.00 0.00 C ATOM 104 O ILE A 7 9.048 -11.606 11.818 1.00 0.00 O ATOM 105 CB ILE A 7 7.514 -13.909 10.193 1.00 0.00 C ATOM 106 CG1 ILE A 7 7.209 -15.408 10.221 1.00 0.00 C ATOM 107 CG2 ILE A 7 8.902 -13.617 9.619 1.00 0.00 C ATOM 108 CD1 ILE A 7 6.023 -15.743 9.315 1.00 0.00 C ATOM 0 H ILE A 7 5.293 -13.489 11.256 1.00 0.00 H new ATOM 0 HA ILE A 7 7.982 -13.887 12.245 1.00 0.00 H new ATOM 0 HB ILE A 7 6.786 -13.445 9.527 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.087 -15.967 9.898 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.990 -15.719 11.242 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.989 -14.068 8.630 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.044 -12.539 9.540 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.663 -14.036 10.277 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.827 -16.815 9.353 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.141 -15.201 9.655 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.255 -15.453 8.290 1.00 0.00 H new ATOM 119 N GLN A 8 6.905 -10.922 11.591 1.00 0.00 N ATOM 120 CA GLN A 8 7.231 -9.509 11.663 1.00 0.00 C ATOM 121 C GLN A 8 7.723 -9.148 13.066 1.00 0.00 C ATOM 122 O GLN A 8 8.729 -8.458 13.217 1.00 0.00 O ATOM 123 CB GLN A 8 6.030 -8.649 11.264 1.00 0.00 C ATOM 124 CG GLN A 8 6.417 -7.633 10.186 1.00 0.00 C ATOM 125 CD GLN A 8 6.016 -8.130 8.795 1.00 0.00 C ATOM 126 OE1 GLN A 8 4.867 -8.445 8.528 1.00 0.00 O ATOM 127 NE2 GLN A 8 7.022 -8.183 7.928 1.00 0.00 N ATOM 0 H GLN A 8 5.912 -11.125 11.473 1.00 0.00 H new ATOM 0 HA GLN A 8 8.034 -9.304 10.955 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.227 -9.288 10.895 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.645 -8.127 12.140 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.931 -6.679 10.389 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.492 -7.456 10.217 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.960 -7.905 8.217 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.856 -8.502 6.973 1.00 0.00 H new ATOM 134 N ALA A 9 6.988 -9.632 14.058 1.00 0.00 N ATOM 135 CA ALA A 9 7.336 -9.369 15.444 1.00 0.00 C ATOM 136 C ALA A 9 8.642 -10.090 15.783 1.00 0.00 C ATOM 137 O ALA A 9 9.502 -9.537 16.466 1.00 0.00 O ATOM 138 CB ALA A 9 6.181 -9.797 16.350 1.00 0.00 C ATOM 0 H ALA A 9 6.154 -10.204 13.929 1.00 0.00 H new ATOM 0 HA ALA A 9 7.497 -8.303 15.604 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.442 -9.600 17.390 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.285 -9.234 16.088 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.992 -10.862 16.219 1.00 0.00 H new ATOM 144 N ILE A 10 8.749 -11.315 15.288 1.00 0.00 N ATOM 145 CA ILE A 10 9.937 -12.118 15.531 1.00 0.00 C ATOM 146 C ILE A 10 11.162 -11.391 14.972 1.00 0.00 C ATOM 147 O ILE A 10 12.285 -11.637 15.407 1.00 0.00 O ATOM 148 CB ILE A 10 9.751 -13.530 14.971 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.688 -14.298 15.761 1.00 0.00 C ATOM 150 CG2 ILE A 10 11.083 -14.280 14.924 1.00 0.00 C ATOM 151 CD1 ILE A 10 9.196 -14.657 17.158 1.00 0.00 C ATOM 0 H ILE A 10 8.034 -11.771 14.721 1.00 0.00 H new ATOM 0 HA ILE A 10 10.101 -12.243 16.601 1.00 0.00 H new ATOM 0 HB ILE A 10 9.392 -13.446 13.945 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.784 -13.694 15.843 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.417 -15.207 15.224 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.923 -15.281 14.522 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.782 -13.740 14.286 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.494 -14.355 15.931 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.422 -15.202 17.698 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.086 -15.281 17.072 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.443 -13.745 17.701 1.00 0.00 H new ATOM 162 N GLN A 11 10.903 -10.511 14.016 1.00 0.00 N ATOM 163 CA GLN A 11 11.970 -9.746 13.394 1.00 0.00 C ATOM 164 C GLN A 11 12.310 -8.520 14.243 1.00 0.00 C ATOM 165 O GLN A 11 13.468 -8.111 14.313 1.00 0.00 O ATOM 166 CB GLN A 11 11.593 -9.338 11.968 1.00 0.00 C ATOM 167 CG GLN A 11 12.393 -8.114 11.518 1.00 0.00 C ATOM 168 CD GLN A 11 12.107 -7.780 10.053 1.00 0.00 C ATOM 169 OE1 GLN A 11 12.101 -8.637 9.185 1.00 0.00 O ATOM 170 NE2 GLN A 11 11.871 -6.491 9.828 1.00 0.00 N ATOM 0 H GLN A 11 9.969 -10.311 13.657 1.00 0.00 H new ATOM 0 HA GLN A 11 12.856 -10.378 13.334 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.779 -10.169 11.287 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.527 -9.118 11.919 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.140 -7.259 12.145 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.458 -8.303 11.650 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.892 -5.826 10.601 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.669 -6.167 8.882 1.00 0.00 H new ATOM 177 N LYS A 12 11.280 -7.969 14.868 1.00 0.00 N ATOM 178 CA LYS A 12 11.456 -6.798 15.710 1.00 0.00 C ATOM 179 C LYS A 12 11.942 -7.237 17.093 1.00 0.00 C ATOM 180 O LYS A 12 13.018 -6.834 17.533 1.00 0.00 O ATOM 181 CB LYS A 12 10.172 -5.966 15.745 1.00 0.00 C ATOM 182 CG LYS A 12 9.855 -5.387 14.365 1.00 0.00 C ATOM 183 CD LYS A 12 8.498 -5.881 13.861 1.00 0.00 C ATOM 184 CE LYS A 12 7.450 -4.767 13.928 1.00 0.00 C ATOM 185 NZ LYS A 12 7.680 -3.775 12.855 1.00 0.00 N ATOM 0 H LYS A 12 10.321 -8.312 14.808 1.00 0.00 H new ATOM 0 HA LYS A 12 12.222 -6.143 15.296 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.342 -6.586 16.082 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.279 -5.156 16.467 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.854 -4.298 14.415 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.635 -5.673 13.659 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.594 -6.234 12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.170 -6.730 14.461 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.451 -5.193 13.830 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.494 -4.277 14.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.871 -3.123 12.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.546 -3.237 13.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.784 -4.266 11.944 1.00 0.00 H new ATOM 195 N SER A 13 11.126 -8.057 17.738 1.00 0.00 N ATOM 196 CA SER A 13 11.459 -8.556 19.061 1.00 0.00 C ATOM 197 C SER A 13 12.914 -9.032 19.091 1.00 0.00 C ATOM 198 O SER A 13 13.543 -9.053 20.148 1.00 0.00 O ATOM 199 CB SER A 13 10.521 -9.690 19.476 1.00 0.00 C ATOM 200 OG SER A 13 10.681 -10.043 20.847 1.00 0.00 O ATOM 0 H SER A 13 10.235 -8.388 17.369 1.00 0.00 H new ATOM 0 HA SER A 13 11.335 -7.741 19.774 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.489 -9.390 19.298 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.711 -10.564 18.853 1.00 0.00 H new ATOM 0 HG SER A 13 10.063 -10.770 21.072 1.00 0.00 H new ATOM 205 N ASP A 14 13.405 -9.403 17.917 1.00 0.00 N ATOM 206 CA ASP A 14 14.772 -9.878 17.795 1.00 0.00 C ATOM 207 C ASP A 14 15.734 -8.752 18.177 1.00 0.00 C ATOM 208 O ASP A 14 16.737 -8.988 18.849 1.00 0.00 O ATOM 209 CB ASP A 14 15.082 -10.297 16.357 1.00 0.00 C ATOM 210 CG ASP A 14 16.424 -11.009 16.165 1.00 0.00 C ATOM 211 OD1 ASP A 14 16.780 -11.800 17.065 1.00 0.00 O ATOM 212 OD2 ASP A 14 17.063 -10.745 15.125 1.00 0.00 O ATOM 0 H ASP A 14 12.880 -9.384 17.043 1.00 0.00 H new ATOM 0 HA ASP A 14 14.891 -10.737 18.455 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.286 -10.954 16.006 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.065 -9.410 15.724 1.00 0.00 H new ATOM 216 N GLU A 15 15.396 -7.551 17.733 1.00 0.00 N ATOM 217 CA GLU A 15 16.217 -6.388 18.019 1.00 0.00 C ATOM 218 C GLU A 15 15.622 -5.591 19.183 1.00 0.00 C ATOM 219 O GLU A 15 16.352 -4.956 19.942 1.00 0.00 O ATOM 220 CB GLU A 15 16.375 -5.508 16.777 1.00 0.00 C ATOM 221 CG GLU A 15 17.284 -6.176 15.744 1.00 0.00 C ATOM 222 CD GLU A 15 17.217 -5.446 14.402 1.00 0.00 C ATOM 223 OE1 GLU A 15 16.324 -5.807 13.603 1.00 0.00 O ATOM 224 OE2 GLU A 15 18.060 -4.546 14.202 1.00 0.00 O ATOM 0 H GLU A 15 14.563 -7.358 17.176 1.00 0.00 H new ATOM 0 HA GLU A 15 17.210 -6.732 18.309 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.397 -5.316 16.336 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.791 -4.542 17.062 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.311 -6.182 16.108 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.987 -7.216 15.611 1.00 0.00 H new ATOM 229 N GLY A 16 14.303 -5.652 19.286 1.00 0.00 N ATOM 230 CA GLY A 16 13.602 -4.945 20.345 1.00 0.00 C ATOM 231 C GLY A 16 14.244 -3.583 20.612 1.00 0.00 C ATOM 232 O GLY A 16 14.952 -3.411 21.604 1.00 0.00 O ATOM 0 H GLY A 16 13.701 -6.180 18.654 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.557 -4.810 20.067 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.615 -5.542 21.257 1.00 0.00 H new ATOM 236 N HIS A 17 13.976 -2.649 19.712 1.00 0.00 N ATOM 237 CA HIS A 17 14.519 -1.308 19.839 1.00 0.00 C ATOM 238 C HIS A 17 13.972 -0.651 21.108 1.00 0.00 C ATOM 239 O HIS A 17 12.946 -1.074 21.637 1.00 0.00 O ATOM 240 CB HIS A 17 14.239 -0.487 18.579 1.00 0.00 C ATOM 241 CG HIS A 17 15.329 -0.570 17.537 1.00 0.00 C ATOM 242 ND1 HIS A 17 15.086 -0.937 16.225 1.00 0.00 N ATOM 243 CD2 HIS A 17 16.668 -0.328 17.627 1.00 0.00 C ATOM 244 CE1 HIS A 17 16.234 -0.915 15.565 1.00 0.00 C ATOM 245 NE2 HIS A 17 17.214 -0.538 16.435 1.00 0.00 N ATOM 0 H HIS A 17 13.389 -2.795 18.891 1.00 0.00 H new ATOM 0 HA HIS A 17 15.603 -1.359 19.936 1.00 0.00 H new ATOM 0 HB2 HIS A 17 13.302 -0.826 18.138 1.00 0.00 H new ATOM 0 HB3 HIS A 17 14.099 0.556 18.861 1.00 0.00 H new ATOM 0 HD2 HIS A 17 17.195 -0.018 18.517 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.370 -1.154 14.521 1.00 0.00 H new ATOM 0 HE2 HIS A 17 18.203 -0.434 16.208 1.00 0.00 H new ATOM 253 N PRO A 18 14.700 0.400 21.571 1.00 0.00 N ATOM 254 CA PRO A 18 14.300 1.119 22.767 1.00 0.00 C ATOM 255 C PRO A 18 13.102 2.030 22.486 1.00 0.00 C ATOM 256 O PRO A 18 11.999 1.776 22.965 1.00 0.00 O ATOM 257 CB PRO A 18 15.539 1.885 23.200 1.00 0.00 C ATOM 258 CG PRO A 18 16.445 1.936 21.980 1.00 0.00 C ATOM 259 CD PRO A 18 15.921 0.929 20.969 1.00 0.00 C ATOM 0 HA PRO A 18 13.961 0.455 23.562 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.280 2.889 23.536 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.034 1.387 24.034 1.00 0.00 H new ATOM 0 HG2 PRO A 18 16.453 2.938 21.552 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.472 1.700 22.257 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.716 1.402 20.009 1.00 0.00 H new ATOM 0 HD3 PRO A 18 16.647 0.137 20.786 1.00 0.00 H new ATOM 264 N PHE A 19 13.362 3.070 21.707 1.00 0.00 N ATOM 265 CA PHE A 19 12.319 4.019 21.356 1.00 0.00 C ATOM 266 C PHE A 19 11.313 3.394 20.388 1.00 0.00 C ATOM 267 O PHE A 19 10.114 3.372 20.661 1.00 0.00 O ATOM 268 CB PHE A 19 13.005 5.201 20.667 1.00 0.00 C ATOM 269 CG PHE A 19 13.698 6.166 21.630 1.00 0.00 C ATOM 270 CD1 PHE A 19 14.877 5.817 22.211 1.00 0.00 C ATOM 271 CD2 PHE A 19 13.136 7.373 21.907 1.00 0.00 C ATOM 272 CE1 PHE A 19 15.522 6.712 23.106 1.00 0.00 C ATOM 273 CE2 PHE A 19 13.780 8.269 22.801 1.00 0.00 C ATOM 274 CZ PHE A 19 14.959 7.919 23.382 1.00 0.00 C ATOM 0 H PHE A 19 14.278 3.276 21.310 1.00 0.00 H new ATOM 0 HA PHE A 19 11.778 4.327 22.251 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.741 4.819 19.960 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.263 5.752 20.089 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.323 4.858 21.992 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.199 7.650 21.447 1.00 0.00 H new ATOM 0 HE1 PHE A 19 16.458 6.434 23.567 1.00 0.00 H new ATOM 0 HE2 PHE A 19 13.334 9.228 23.019 1.00 0.00 H new ATOM 0 HZ PHE A 19 15.448 8.600 24.063 1.00 0.00 H new ATOM 283 N ARG A 20 11.838 2.901 19.275 1.00 0.00 N ATOM 284 CA ARG A 20 11.000 2.277 18.265 1.00 0.00 C ATOM 285 C ARG A 20 9.948 1.384 18.926 1.00 0.00 C ATOM 286 O ARG A 20 8.780 1.405 18.540 1.00 0.00 O ATOM 287 CB ARG A 20 11.836 1.438 17.297 1.00 0.00 C ATOM 288 CG ARG A 20 11.660 1.922 15.857 1.00 0.00 C ATOM 289 CD ARG A 20 12.823 2.823 15.435 1.00 0.00 C ATOM 290 NE ARG A 20 12.335 3.886 14.527 1.00 0.00 N ATOM 291 CZ ARG A 20 13.130 4.615 13.731 1.00 0.00 C ATOM 292 NH1 ARG A 20 14.452 4.401 13.725 1.00 0.00 N ATOM 293 NH2 ARG A 20 12.600 5.559 12.941 1.00 0.00 N ATOM 0 H ARG A 20 12.833 2.921 19.051 1.00 0.00 H new ATOM 0 HA ARG A 20 10.507 3.072 17.706 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.888 1.494 17.577 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.542 0.391 17.371 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.598 1.065 15.187 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.721 2.468 15.765 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.286 3.269 16.315 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.590 2.231 14.936 1.00 0.00 H new ATOM 0 HE ARG A 20 11.333 4.075 14.506 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.855 3.683 14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.056 4.956 13.119 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.593 5.722 12.946 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.204 6.115 12.335 1.00 0.00 H new ATOM 304 N ALA A 21 10.399 0.620 19.909 1.00 0.00 N ATOM 305 CA ALA A 21 9.512 -0.279 20.627 1.00 0.00 C ATOM 306 C ALA A 21 8.271 0.492 21.082 1.00 0.00 C ATOM 307 O ALA A 21 7.164 0.224 20.617 1.00 0.00 O ATOM 308 CB ALA A 21 10.265 -0.914 21.799 1.00 0.00 C ATOM 0 H ALA A 21 11.368 0.605 20.226 1.00 0.00 H new ATOM 0 HA ALA A 21 9.179 -1.088 19.977 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.599 -1.588 22.337 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.120 -1.474 21.421 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.613 -0.132 22.474 1.00 0.00 H new ATOM 314 N TYR A 22 8.497 1.435 21.985 1.00 0.00 N ATOM 315 CA TYR A 22 7.411 2.247 22.507 1.00 0.00 C ATOM 316 C TYR A 22 6.447 2.656 21.392 1.00 0.00 C ATOM 317 O TYR A 22 5.259 2.865 21.637 1.00 0.00 O ATOM 318 CB TYR A 22 8.064 3.504 23.086 1.00 0.00 C ATOM 319 CG TYR A 22 7.959 3.614 24.608 1.00 0.00 C ATOM 320 CD1 TYR A 22 6.817 4.134 25.184 1.00 0.00 C ATOM 321 CD2 TYR A 22 9.004 3.194 25.405 1.00 0.00 C ATOM 322 CE1 TYR A 22 6.717 4.239 26.617 1.00 0.00 C ATOM 323 CE2 TYR A 22 8.904 3.299 26.838 1.00 0.00 C ATOM 324 CZ TYR A 22 7.765 3.816 27.374 1.00 0.00 C ATOM 325 OH TYR A 22 7.671 3.914 28.727 1.00 0.00 O ATOM 0 H TYR A 22 9.416 1.655 22.368 1.00 0.00 H new ATOM 0 HA TYR A 22 6.841 1.691 23.251 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.116 3.518 22.803 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.601 4.382 22.636 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.999 4.462 24.560 1.00 0.00 H new ATOM 0 HD2 TYR A 22 9.897 2.787 24.954 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.830 4.645 27.080 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.715 2.975 27.473 1.00 0.00 H new ATOM 0 HH TYR A 22 8.493 3.573 29.138 1.00 0.00 H new ATOM 334 N LEU A 23 6.994 2.759 20.189 1.00 0.00 N ATOM 335 CA LEU A 23 6.196 3.139 19.035 1.00 0.00 C ATOM 336 C LEU A 23 5.437 1.916 18.519 1.00 0.00 C ATOM 337 O LEU A 23 4.211 1.937 18.421 1.00 0.00 O ATOM 338 CB LEU A 23 7.073 3.810 17.976 1.00 0.00 C ATOM 339 CG LEU A 23 6.406 4.913 17.152 1.00 0.00 C ATOM 340 CD1 LEU A 23 5.134 4.398 16.475 1.00 0.00 C ATOM 341 CD2 LEU A 23 6.136 6.151 18.010 1.00 0.00 C ATOM 0 H LEU A 23 7.979 2.586 19.989 1.00 0.00 H new ATOM 0 HA LEU A 23 5.449 3.882 19.316 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.947 4.233 18.472 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.434 3.042 17.292 1.00 0.00 H new ATOM 0 HG LEU A 23 7.094 5.212 16.361 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.679 5.202 15.896 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.384 3.570 15.812 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.431 4.055 17.234 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.662 6.920 17.400 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.476 5.885 18.836 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.077 6.532 18.406 1.00 0.00 H new ATOM 352 N GLU A 24 6.197 0.878 18.202 1.00 0.00 N ATOM 353 CA GLU A 24 5.612 -0.353 17.699 1.00 0.00 C ATOM 354 C GLU A 24 4.579 -0.893 18.690 1.00 0.00 C ATOM 355 O GLU A 24 3.637 -1.580 18.297 1.00 0.00 O ATOM 356 CB GLU A 24 6.692 -1.397 17.408 1.00 0.00 C ATOM 357 CG GLU A 24 7.006 -1.461 15.913 1.00 0.00 C ATOM 358 CD GLU A 24 7.987 -0.357 15.511 1.00 0.00 C ATOM 359 OE1 GLU A 24 7.497 0.737 15.157 1.00 0.00 O ATOM 360 OE2 GLU A 24 9.205 -0.633 15.565 1.00 0.00 O ATOM 0 H GLU A 24 7.214 0.864 18.284 1.00 0.00 H new ATOM 0 HA GLU A 24 5.105 -0.133 16.759 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.598 -1.152 17.963 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.360 -2.375 17.755 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.429 -2.435 15.668 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.085 -1.360 15.340 1.00 0.00 H new ATOM 365 N SER A 25 4.791 -0.564 19.955 1.00 0.00 N ATOM 366 CA SER A 25 3.890 -1.008 21.005 1.00 0.00 C ATOM 367 C SER A 25 2.483 -0.465 20.751 1.00 0.00 C ATOM 368 O SER A 25 1.523 -1.231 20.666 1.00 0.00 O ATOM 369 CB SER A 25 4.389 -0.565 22.382 1.00 0.00 C ATOM 370 OG SER A 25 3.340 -0.536 23.346 1.00 0.00 O ATOM 0 H SER A 25 5.574 0.005 20.277 1.00 0.00 H new ATOM 0 HA SER A 25 3.860 -2.098 20.992 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.173 -1.244 22.719 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.837 0.426 22.304 1.00 0.00 H new ATOM 0 HG SER A 25 3.699 -0.250 24.212 1.00 0.00 H new ATOM 375 N GLU A 26 2.402 0.853 20.637 1.00 0.00 N ATOM 376 CA GLU A 26 1.127 1.507 20.394 1.00 0.00 C ATOM 377 C GLU A 26 0.477 0.947 19.127 1.00 0.00 C ATOM 378 O GLU A 26 -0.736 1.053 18.949 1.00 0.00 O ATOM 379 CB GLU A 26 1.300 3.023 20.297 1.00 0.00 C ATOM 380 CG GLU A 26 0.849 3.710 21.589 1.00 0.00 C ATOM 381 CD GLU A 26 1.475 5.100 21.718 1.00 0.00 C ATOM 382 OE1 GLU A 26 2.723 5.162 21.727 1.00 0.00 O ATOM 383 OE2 GLU A 26 0.690 6.069 21.805 1.00 0.00 O ATOM 0 H GLU A 26 3.199 1.486 20.708 1.00 0.00 H new ATOM 0 HA GLU A 26 0.468 1.302 21.238 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.345 3.262 20.100 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.721 3.406 19.456 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.238 3.794 21.600 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.130 3.099 22.447 1.00 0.00 H new ATOM 388 N VAL A 27 1.311 0.363 18.280 1.00 0.00 N ATOM 389 CA VAL A 27 0.832 -0.214 17.035 1.00 0.00 C ATOM 390 C VAL A 27 0.257 -1.605 17.310 1.00 0.00 C ATOM 391 O VAL A 27 -0.838 -1.929 16.854 1.00 0.00 O ATOM 392 CB VAL A 27 1.956 -0.226 15.998 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.513 -0.939 14.718 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.438 1.194 15.695 1.00 0.00 C ATOM 0 H VAL A 27 2.316 0.277 18.431 1.00 0.00 H new ATOM 0 HA VAL A 27 0.029 0.393 16.617 1.00 0.00 H new ATOM 0 HB VAL A 27 2.794 -0.782 16.419 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.330 -0.934 13.997 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.241 -1.969 14.951 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.652 -0.423 14.294 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.237 1.157 14.955 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.609 1.784 15.304 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.812 1.654 16.610 1.00 0.00 H new ATOM 404 N ALA A 28 1.022 -2.389 18.056 1.00 0.00 N ATOM 405 CA ALA A 28 0.602 -3.737 18.397 1.00 0.00 C ATOM 406 C ALA A 28 -0.555 -3.669 19.396 1.00 0.00 C ATOM 407 O ALA A 28 -1.418 -4.545 19.411 1.00 0.00 O ATOM 408 CB ALA A 28 1.798 -4.522 18.941 1.00 0.00 C ATOM 0 H ALA A 28 1.930 -2.116 18.433 1.00 0.00 H new ATOM 0 HA ALA A 28 0.242 -4.263 17.512 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.483 -5.534 19.197 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.580 -4.566 18.183 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.184 -4.026 19.831 1.00 0.00 H new ATOM 414 N ILE A 29 -0.533 -2.622 20.207 1.00 0.00 N ATOM 415 CA ILE A 29 -1.569 -2.429 21.207 1.00 0.00 C ATOM 416 C ILE A 29 -2.896 -2.126 20.508 1.00 0.00 C ATOM 417 O ILE A 29 -3.962 -2.475 21.014 1.00 0.00 O ATOM 418 CB ILE A 29 -1.147 -1.359 22.216 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.511 -1.775 23.642 1.00 0.00 C ATOM 420 CG2 ILE A 29 -1.737 0.005 21.849 1.00 0.00 C ATOM 421 CD1 ILE A 29 -2.997 -1.540 23.920 1.00 0.00 C ATOM 0 H ILE A 29 0.186 -1.898 20.192 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.714 -3.341 21.786 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.062 -1.262 22.176 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.272 -2.828 23.789 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.910 -1.209 24.354 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.421 0.747 22.582 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.385 0.299 20.860 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.825 -0.059 21.843 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.229 -1.844 24.941 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.228 -0.482 23.795 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.595 -2.126 23.222 1.00 0.00 H new ATOM 432 N SER A 30 -2.788 -1.479 19.358 1.00 0.00 N ATOM 433 CA SER A 30 -3.966 -1.124 18.584 1.00 0.00 C ATOM 434 C SER A 30 -4.504 -2.358 17.855 1.00 0.00 C ATOM 435 O SER A 30 -5.715 -2.528 17.725 1.00 0.00 O ATOM 436 CB SER A 30 -3.654 -0.010 17.584 1.00 0.00 C ATOM 437 OG SER A 30 -3.017 -0.509 16.410 1.00 0.00 O ATOM 0 H SER A 30 -1.902 -1.191 18.942 1.00 0.00 H new ATOM 0 HA SER A 30 -4.728 -0.754 19.271 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.578 0.498 17.307 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.012 0.733 18.057 1.00 0.00 H new ATOM 0 HG SER A 30 -2.203 -0.994 16.660 1.00 0.00 H new ATOM 442 N GLU A 31 -3.577 -3.187 17.399 1.00 0.00 N ATOM 443 CA GLU A 31 -3.941 -4.399 16.686 1.00 0.00 C ATOM 444 C GLU A 31 -4.941 -5.216 17.506 1.00 0.00 C ATOM 445 O GLU A 31 -5.722 -5.988 16.951 1.00 0.00 O ATOM 446 CB GLU A 31 -2.702 -5.230 16.347 1.00 0.00 C ATOM 447 CG GLU A 31 -3.096 -6.582 15.748 1.00 0.00 C ATOM 448 CD GLU A 31 -3.648 -6.414 14.330 1.00 0.00 C ATOM 449 OE1 GLU A 31 -4.866 -6.157 14.223 1.00 0.00 O ATOM 450 OE2 GLU A 31 -2.839 -6.547 13.387 1.00 0.00 O ATOM 0 H GLU A 31 -2.573 -3.043 17.510 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.415 -4.116 15.746 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.076 -4.684 15.641 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.107 -5.386 17.247 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.229 -7.242 15.729 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.845 -7.059 16.380 1.00 0.00 H new ATOM 455 N GLU A 32 -4.886 -5.019 18.815 1.00 0.00 N ATOM 456 CA GLU A 32 -5.777 -5.728 19.718 1.00 0.00 C ATOM 457 C GLU A 32 -7.132 -5.021 19.789 1.00 0.00 C ATOM 458 O GLU A 32 -8.161 -5.663 19.987 1.00 0.00 O ATOM 459 CB GLU A 32 -5.155 -5.862 21.109 1.00 0.00 C ATOM 460 CG GLU A 32 -4.939 -7.334 21.473 1.00 0.00 C ATOM 461 CD GLU A 32 -3.595 -7.533 22.177 1.00 0.00 C ATOM 462 OE1 GLU A 32 -2.574 -7.137 21.575 1.00 0.00 O ATOM 463 OE2 GLU A 32 -3.621 -8.076 23.303 1.00 0.00 O ATOM 0 H GLU A 32 -4.238 -4.378 19.272 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.933 -6.734 19.328 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.203 -5.333 21.138 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.804 -5.392 21.848 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.747 -7.675 22.121 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.975 -7.945 20.571 1.00 0.00 H new ATOM 468 N LEU A 33 -7.087 -3.707 19.626 1.00 0.00 N ATOM 469 CA LEU A 33 -8.298 -2.906 19.670 1.00 0.00 C ATOM 470 C LEU A 33 -9.296 -3.441 18.640 1.00 0.00 C ATOM 471 O LEU A 33 -10.469 -3.640 18.953 1.00 0.00 O ATOM 472 CB LEU A 33 -7.967 -1.422 19.492 1.00 0.00 C ATOM 473 CG LEU A 33 -8.080 -0.555 20.747 1.00 0.00 C ATOM 474 CD1 LEU A 33 -7.100 0.619 20.691 1.00 0.00 C ATOM 475 CD2 LEU A 33 -9.521 -0.089 20.964 1.00 0.00 C ATOM 0 H LEU A 33 -6.231 -3.177 19.463 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.773 -2.988 20.648 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.950 -1.340 19.108 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.629 -1.011 18.730 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.806 -1.163 21.609 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.200 1.220 21.595 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.081 0.239 20.619 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.320 1.235 19.819 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.573 0.525 21.863 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.847 0.497 20.105 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.171 -0.957 21.080 1.00 0.00 H new ATOM 486 N VAL A 34 -8.793 -3.657 17.434 1.00 0.00 N ATOM 487 CA VAL A 34 -9.626 -4.165 16.357 1.00 0.00 C ATOM 488 C VAL A 34 -10.181 -5.535 16.750 1.00 0.00 C ATOM 489 O VAL A 34 -11.199 -5.974 16.214 1.00 0.00 O ATOM 490 CB VAL A 34 -8.831 -4.195 15.050 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.617 -5.120 15.168 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.721 -4.606 13.875 1.00 0.00 C ATOM 0 H VAL A 34 -7.820 -3.490 17.179 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.477 -3.505 16.189 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.467 -3.186 14.857 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.069 -5.123 14.226 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.965 -4.764 15.966 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.951 -6.132 15.397 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.131 -4.619 12.959 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.129 -5.600 14.058 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.538 -3.892 13.770 1.00 0.00 H new ATOM 502 N GLN A 35 -9.489 -6.174 17.682 1.00 0.00 N ATOM 503 CA GLN A 35 -9.900 -7.486 18.153 1.00 0.00 C ATOM 504 C GLN A 35 -10.914 -7.348 19.290 1.00 0.00 C ATOM 505 O GLN A 35 -11.691 -8.265 19.549 1.00 0.00 O ATOM 506 CB GLN A 35 -8.691 -8.314 18.593 1.00 0.00 C ATOM 507 CG GLN A 35 -8.976 -9.812 18.463 1.00 0.00 C ATOM 508 CD GLN A 35 -7.934 -10.637 19.220 1.00 0.00 C ATOM 509 OE1 GLN A 35 -6.778 -10.725 18.839 1.00 0.00 O ATOM 510 NE2 GLN A 35 -8.405 -11.232 20.312 1.00 0.00 N ATOM 0 H GLN A 35 -8.646 -5.807 18.124 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.379 -8.013 17.328 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.825 -8.051 17.986 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.440 -8.076 19.627 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.971 -10.031 18.851 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.975 -10.096 17.411 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.384 -11.116 20.574 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.787 -11.804 20.888 1.00 0.00 H new ATOM 517 N LYS A 36 -10.873 -6.194 19.940 1.00 0.00 N ATOM 518 CA LYS A 36 -11.777 -5.923 21.043 1.00 0.00 C ATOM 519 C LYS A 36 -13.182 -5.666 20.495 1.00 0.00 C ATOM 520 O LYS A 36 -14.173 -5.854 21.200 1.00 0.00 O ATOM 521 CB LYS A 36 -11.239 -4.784 21.912 1.00 0.00 C ATOM 522 CG LYS A 36 -11.413 -5.100 23.400 1.00 0.00 C ATOM 523 CD LYS A 36 -10.887 -3.954 24.267 1.00 0.00 C ATOM 524 CE LYS A 36 -9.362 -3.858 24.184 1.00 0.00 C ATOM 525 NZ LYS A 36 -8.782 -3.639 25.528 1.00 0.00 N ATOM 0 H LYS A 36 -10.227 -5.436 19.723 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.844 -6.790 21.700 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.184 -4.621 21.692 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.762 -3.859 21.670 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.467 -5.272 23.618 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.882 -6.020 23.645 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.332 -3.014 23.942 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.189 -4.109 25.303 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.957 -4.773 23.752 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.079 -3.040 23.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.747 -3.576 25.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.155 -2.754 25.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.037 -4.433 26.150 1.00 0.00 H new ATOM 535 N TYR A 37 -13.224 -5.240 19.241 1.00 0.00 N ATOM 536 CA TYR A 37 -14.491 -4.955 18.589 1.00 0.00 C ATOM 537 C TYR A 37 -15.422 -6.169 18.646 1.00 0.00 C ATOM 538 O TYR A 37 -16.611 -6.031 18.928 1.00 0.00 O ATOM 539 CB TYR A 37 -14.155 -4.654 17.127 1.00 0.00 C ATOM 540 CG TYR A 37 -14.680 -5.698 16.140 1.00 0.00 C ATOM 541 CD1 TYR A 37 -13.976 -6.868 15.934 1.00 0.00 C ATOM 542 CD2 TYR A 37 -15.855 -5.471 15.455 1.00 0.00 C ATOM 543 CE1 TYR A 37 -14.469 -7.850 15.004 1.00 0.00 C ATOM 544 CE2 TYR A 37 -16.349 -6.454 14.526 1.00 0.00 C ATOM 545 CZ TYR A 37 -15.632 -7.595 14.346 1.00 0.00 C ATOM 546 OH TYR A 37 -16.098 -8.524 13.468 1.00 0.00 O ATOM 0 H TYR A 37 -12.401 -5.085 18.659 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.998 -4.125 19.081 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.567 -3.680 16.863 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.073 -4.581 17.021 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.056 -7.046 16.470 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.405 -4.555 15.615 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.928 -8.769 14.833 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.269 -6.289 13.984 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.353 -8.084 12.630 1.00 0.00 H new ATOM 555 N SER A 38 -14.845 -7.330 18.374 1.00 0.00 N ATOM 556 CA SER A 38 -15.608 -8.567 18.390 1.00 0.00 C ATOM 557 C SER A 38 -16.365 -8.697 19.714 1.00 0.00 C ATOM 558 O SER A 38 -17.530 -9.089 19.730 1.00 0.00 O ATOM 559 CB SER A 38 -14.698 -9.778 18.178 1.00 0.00 C ATOM 560 OG SER A 38 -15.178 -10.632 17.143 1.00 0.00 O ATOM 0 H SER A 38 -13.858 -7.441 18.141 1.00 0.00 H new ATOM 0 HA SER A 38 -16.325 -8.538 17.570 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.693 -9.437 17.930 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.623 -10.342 19.108 1.00 0.00 H new ATOM 0 HG SER A 38 -15.152 -10.155 16.287 1.00 0.00 H new ATOM 565 N ASN A 39 -15.670 -8.360 20.791 1.00 0.00 N ATOM 566 CA ASN A 39 -16.262 -8.435 22.116 1.00 0.00 C ATOM 567 C ASN A 39 -17.060 -7.157 22.387 1.00 0.00 C ATOM 568 O ASN A 39 -18.252 -7.215 22.682 1.00 0.00 O ATOM 569 CB ASN A 39 -15.184 -8.557 23.195 1.00 0.00 C ATOM 570 CG ASN A 39 -14.265 -9.748 22.919 1.00 0.00 C ATOM 571 OD1 ASN A 39 -14.389 -10.444 21.924 1.00 0.00 O ATOM 572 ND2 ASN A 39 -13.338 -9.944 23.852 1.00 0.00 N ATOM 0 H ASN A 39 -14.703 -8.035 20.773 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.906 -9.314 22.148 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.596 -7.640 23.232 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.654 -8.674 24.172 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.676 -10.714 23.759 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.289 -9.324 24.661 1.00 0.00 H new ATOM 578 N SER A 40 -16.369 -6.032 22.275 1.00 0.00 N ATOM 579 CA SER A 40 -16.997 -4.742 22.503 1.00 0.00 C ATOM 580 C SER A 40 -18.339 -4.677 21.772 1.00 0.00 C ATOM 581 O SER A 40 -19.235 -3.937 22.175 1.00 0.00 O ATOM 582 CB SER A 40 -16.088 -3.599 22.049 1.00 0.00 C ATOM 583 OG SER A 40 -15.264 -3.118 23.108 1.00 0.00 O ATOM 0 H SER A 40 -15.380 -5.987 22.029 1.00 0.00 H new ATOM 0 HA SER A 40 -17.169 -4.629 23.574 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.459 -3.941 21.227 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.698 -2.782 21.665 1.00 0.00 H new ATOM 0 HG SER A 40 -14.497 -2.637 22.733 1.00 0.00 H new ATOM 588 N ALA A 41 -18.435 -5.460 20.708 1.00 0.00 N ATOM 589 CA ALA A 41 -19.653 -5.501 19.916 1.00 0.00 C ATOM 590 C ALA A 41 -20.856 -5.666 20.846 1.00 0.00 C ATOM 591 O ALA A 41 -21.389 -4.683 21.359 1.00 0.00 O ATOM 592 CB ALA A 41 -19.554 -6.626 18.884 1.00 0.00 C ATOM 0 H ALA A 41 -17.689 -6.071 20.375 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.786 -4.568 19.368 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.468 -6.656 18.290 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.702 -6.445 18.229 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.422 -7.579 19.396 1.00 0.00 H new ATOM 598 N LEU A 42 -21.250 -6.916 21.036 1.00 0.00 N ATOM 599 CA LEU A 42 -22.380 -7.224 21.895 1.00 0.00 C ATOM 600 C LEU A 42 -23.406 -6.093 21.805 1.00 0.00 C ATOM 601 O LEU A 42 -23.925 -5.637 22.823 1.00 0.00 O ATOM 602 CB LEU A 42 -21.906 -7.512 23.321 1.00 0.00 C ATOM 603 CG LEU A 42 -21.172 -8.838 23.529 1.00 0.00 C ATOM 604 CD1 LEU A 42 -20.302 -8.792 24.787 1.00 0.00 C ATOM 605 CD2 LEU A 42 -22.155 -10.010 23.556 1.00 0.00 C ATOM 0 H LEU A 42 -20.806 -7.729 20.609 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.877 -8.134 21.559 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -21.247 -6.702 23.634 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -22.773 -7.492 23.982 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.505 -8.996 22.681 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -19.791 -9.747 24.911 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -19.564 -7.996 24.690 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -20.930 -8.600 25.657 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -21.608 -10.941 23.705 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -22.864 -9.871 24.372 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -22.695 -10.054 22.610 1.00 0.00 H new ATOM 616 N GLY A 43 -23.668 -5.671 20.577 1.00 0.00 N ATOM 617 CA GLY A 43 -24.622 -4.602 20.339 1.00 0.00 C ATOM 618 C GLY A 43 -24.197 -3.743 19.147 1.00 0.00 C ATOM 619 O GLY A 43 -24.689 -3.931 18.035 1.00 0.00 O ATOM 0 H GLY A 43 -23.235 -6.051 19.735 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -25.609 -5.025 20.153 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -24.705 -3.979 21.230 1.00 0.00 H new ATOM 623 N HIS A 44 -23.290 -2.816 19.419 1.00 0.00 N ATOM 624 CA HIS A 44 -22.795 -1.926 18.382 1.00 0.00 C ATOM 625 C HIS A 44 -21.795 -0.939 18.988 1.00 0.00 C ATOM 626 O HIS A 44 -21.769 0.232 18.613 1.00 0.00 O ATOM 627 CB HIS A 44 -23.953 -1.232 17.663 1.00 0.00 C ATOM 628 CG HIS A 44 -24.026 -1.532 16.185 1.00 0.00 C ATOM 629 ND1 HIS A 44 -24.352 -0.574 15.241 1.00 0.00 N ATOM 630 CD2 HIS A 44 -23.811 -2.692 15.499 1.00 0.00 C ATOM 631 CE1 HIS A 44 -24.332 -1.143 14.044 1.00 0.00 C ATOM 632 NE2 HIS A 44 -23.997 -2.455 14.207 1.00 0.00 N ATOM 0 H HIS A 44 -22.885 -2.662 20.342 1.00 0.00 H new ATOM 0 HA HIS A 44 -22.268 -2.504 17.623 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -24.890 -1.533 18.131 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -23.859 -0.155 17.801 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -23.536 -3.642 15.934 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -24.544 -0.654 13.105 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -23.905 -3.141 13.458 1.00 0.00 H new ATOM 640 N VAL A 45 -20.996 -1.449 19.915 1.00 0.00 N ATOM 641 CA VAL A 45 -19.997 -0.627 20.576 1.00 0.00 C ATOM 642 C VAL A 45 -18.639 -0.843 19.904 1.00 0.00 C ATOM 643 O VAL A 45 -17.770 0.026 19.960 1.00 0.00 O ATOM 644 CB VAL A 45 -19.979 -0.930 22.075 1.00 0.00 C ATOM 645 CG1 VAL A 45 -18.599 -0.649 22.674 1.00 0.00 C ATOM 646 CG2 VAL A 45 -21.066 -0.141 22.807 1.00 0.00 C ATOM 0 H VAL A 45 -21.021 -2.421 20.223 1.00 0.00 H new ATOM 0 HA VAL A 45 -20.244 0.430 20.476 1.00 0.00 H new ATOM 0 HB VAL A 45 -20.191 -1.991 22.205 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -18.613 -0.872 23.741 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.854 -1.275 22.182 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -18.345 0.401 22.527 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -21.031 -0.375 23.871 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.899 0.927 22.665 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -22.043 -0.412 22.408 1.00 0.00 H new ATOM 656 N ASN A 46 -18.499 -2.007 19.287 1.00 0.00 N ATOM 657 CA ASN A 46 -17.261 -2.348 18.607 1.00 0.00 C ATOM 658 C ASN A 46 -16.915 -1.247 17.604 1.00 0.00 C ATOM 659 O ASN A 46 -15.756 -1.098 17.216 1.00 0.00 O ATOM 660 CB ASN A 46 -17.402 -3.663 17.836 1.00 0.00 C ATOM 661 CG ASN A 46 -18.273 -3.478 16.592 1.00 0.00 C ATOM 662 OD1 ASN A 46 -17.914 -2.795 15.646 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.435 -4.121 16.645 1.00 0.00 N ATOM 0 H ASN A 46 -19.222 -2.725 19.244 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.480 -2.452 19.360 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.416 -4.025 17.544 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -17.842 -4.423 18.483 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.088 -4.060 15.864 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.674 -4.676 17.467 1.00 0.00 H new ATOM 669 N CYS A 47 -17.938 -0.502 17.214 1.00 0.00 N ATOM 670 CA CYS A 47 -17.756 0.582 16.264 1.00 0.00 C ATOM 671 C CYS A 47 -17.404 1.850 17.044 1.00 0.00 C ATOM 672 O CYS A 47 -16.738 2.741 16.520 1.00 0.00 O ATOM 673 CB CYS A 47 -18.993 0.779 15.385 1.00 0.00 C ATOM 674 SG CYS A 47 -20.222 1.818 16.257 1.00 0.00 S ATOM 0 H CYS A 47 -18.897 -0.628 17.539 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.942 0.337 15.582 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -18.709 1.250 14.444 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.432 -0.188 15.138 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.803 1.117 17.185 1.00 0.00 H new ATOM 679 N THR A 48 -17.866 1.890 18.285 1.00 0.00 N ATOM 680 CA THR A 48 -17.607 3.034 19.143 1.00 0.00 C ATOM 681 C THR A 48 -16.251 2.887 19.835 1.00 0.00 C ATOM 682 O THR A 48 -15.682 3.868 20.309 1.00 0.00 O ATOM 683 CB THR A 48 -18.776 3.166 20.121 1.00 0.00 C ATOM 684 OG1 THR A 48 -19.869 3.575 19.302 1.00 0.00 O ATOM 685 CG2 THR A 48 -18.592 4.325 21.102 1.00 0.00 C ATOM 0 H THR A 48 -18.418 1.149 18.717 1.00 0.00 H new ATOM 0 HA THR A 48 -17.543 3.955 18.564 1.00 0.00 H new ATOM 0 HB THR A 48 -18.890 2.235 20.677 1.00 0.00 H new ATOM 0 HG1 THR A 48 -19.953 2.965 18.540 1.00 0.00 H new ATOM 0 HG21 THR A 48 -19.450 4.373 21.773 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.684 4.168 21.684 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.511 5.261 20.549 1.00 0.00 H new ATOM 693 N ILE A 49 -15.771 1.652 19.870 1.00 0.00 N ATOM 694 CA ILE A 49 -14.492 1.363 20.496 1.00 0.00 C ATOM 695 C ILE A 49 -13.378 1.497 19.455 1.00 0.00 C ATOM 696 O ILE A 49 -12.363 2.145 19.706 1.00 0.00 O ATOM 697 CB ILE A 49 -14.529 -0.002 21.185 1.00 0.00 C ATOM 698 CG1 ILE A 49 -14.597 -1.134 20.158 1.00 0.00 C ATOM 699 CG2 ILE A 49 -15.676 -0.076 22.195 1.00 0.00 C ATOM 700 CD1 ILE A 49 -13.210 -1.446 19.593 1.00 0.00 C ATOM 0 H ILE A 49 -16.245 0.840 19.475 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.281 2.086 21.284 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.600 -0.128 21.742 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.013 -2.027 20.623 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -15.269 -0.854 19.347 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -15.679 -1.057 22.670 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -15.543 0.695 22.954 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -16.624 0.081 21.681 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.287 -2.254 18.866 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.807 -0.558 19.107 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.547 -1.749 20.403 1.00 0.00 H new ATOM 711 N LYS A 50 -13.606 0.872 18.309 1.00 0.00 N ATOM 712 CA LYS A 50 -12.634 0.914 17.229 1.00 0.00 C ATOM 713 C LYS A 50 -12.481 2.355 16.741 1.00 0.00 C ATOM 714 O LYS A 50 -11.553 2.667 15.997 1.00 0.00 O ATOM 715 CB LYS A 50 -13.020 -0.071 16.124 1.00 0.00 C ATOM 716 CG LYS A 50 -14.265 0.406 15.374 1.00 0.00 C ATOM 717 CD LYS A 50 -13.902 1.457 14.322 1.00 0.00 C ATOM 718 CE LYS A 50 -14.821 2.675 14.425 1.00 0.00 C ATOM 719 NZ LYS A 50 -14.326 3.773 13.566 1.00 0.00 N ATOM 0 H LYS A 50 -14.448 0.334 18.105 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.655 0.593 17.585 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.191 -0.182 15.425 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.206 -1.054 16.557 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.752 -0.442 14.893 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.981 0.826 16.081 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.865 1.767 14.455 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.980 1.022 13.326 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.833 2.400 14.127 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.874 3.011 15.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.441 4.680 14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.320 3.620 13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.869 3.792 12.679 1.00 0.00 H new ATOM 729 N GLU A 51 -13.405 3.197 17.182 1.00 0.00 N ATOM 730 CA GLU A 51 -13.383 4.599 16.799 1.00 0.00 C ATOM 731 C GLU A 51 -12.257 5.332 17.530 1.00 0.00 C ATOM 732 O GLU A 51 -11.794 6.377 17.076 1.00 0.00 O ATOM 733 CB GLU A 51 -14.736 5.262 17.071 1.00 0.00 C ATOM 734 CG GLU A 51 -14.936 6.485 16.175 1.00 0.00 C ATOM 735 CD GLU A 51 -16.421 6.833 16.046 1.00 0.00 C ATOM 736 OE1 GLU A 51 -17.079 6.913 17.106 1.00 0.00 O ATOM 737 OE2 GLU A 51 -16.864 7.011 14.890 1.00 0.00 O ATOM 0 H GLU A 51 -14.173 2.935 17.800 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.193 4.660 15.727 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.538 4.545 16.898 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.795 5.560 18.118 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.394 7.336 16.588 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.517 6.289 15.188 1.00 0.00 H new ATOM 742 N LEU A 52 -11.848 4.754 18.649 1.00 0.00 N ATOM 743 CA LEU A 52 -10.784 5.338 19.448 1.00 0.00 C ATOM 744 C LEU A 52 -9.439 4.763 18.998 1.00 0.00 C ATOM 745 O LEU A 52 -8.396 5.384 19.198 1.00 0.00 O ATOM 746 CB LEU A 52 -11.067 5.149 20.940 1.00 0.00 C ATOM 747 CG LEU A 52 -10.903 6.391 21.817 1.00 0.00 C ATOM 748 CD1 LEU A 52 -12.114 7.316 21.688 1.00 0.00 C ATOM 749 CD2 LEU A 52 -10.630 6.003 23.271 1.00 0.00 C ATOM 0 H LEU A 52 -12.234 3.887 19.022 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.738 6.416 19.291 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.087 4.782 21.052 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.405 4.371 21.319 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.034 6.947 21.464 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.972 8.192 22.322 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.221 7.632 20.650 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.013 6.784 22.000 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.517 6.905 23.873 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.463 5.413 23.653 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.714 5.414 23.325 1.00 0.00 H new ATOM 760 N ARG A 53 -9.507 3.583 18.401 1.00 0.00 N ATOM 761 CA ARG A 53 -8.308 2.917 17.921 1.00 0.00 C ATOM 762 C ARG A 53 -7.919 3.452 16.541 1.00 0.00 C ATOM 763 O ARG A 53 -6.892 4.112 16.395 1.00 0.00 O ATOM 764 CB ARG A 53 -8.517 1.403 17.833 1.00 0.00 C ATOM 765 CG ARG A 53 -7.379 0.738 17.056 1.00 0.00 C ATOM 766 CD ARG A 53 -7.703 0.668 15.562 1.00 0.00 C ATOM 767 NE ARG A 53 -7.225 -0.615 15.000 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.940 -0.886 14.734 1.00 0.00 C ATOM 769 NH1 ARG A 53 -4.996 0.034 14.977 1.00 0.00 N ATOM 770 NH2 ARG A 53 -5.598 -2.077 14.225 1.00 0.00 N ATOM 0 H ARG A 53 -10.374 3.070 18.238 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.508 3.122 18.632 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.573 0.981 18.836 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.468 1.191 17.345 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.456 1.298 17.206 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.209 -0.267 17.442 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.778 0.763 15.410 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.232 1.501 15.040 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.917 -1.338 14.803 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.256 0.941 15.365 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.018 -0.173 14.774 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.316 -2.778 14.040 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.620 -2.283 14.023 1.00 0.00 H new ATOM 781 N ARG A 54 -8.761 3.147 15.564 1.00 0.00 N ATOM 782 CA ARG A 54 -8.518 3.589 14.203 1.00 0.00 C ATOM 783 C ARG A 54 -9.234 4.916 13.939 1.00 0.00 C ATOM 784 O ARG A 54 -8.609 5.890 13.523 1.00 0.00 O ATOM 785 CB ARG A 54 -9.000 2.548 13.190 1.00 0.00 C ATOM 786 CG ARG A 54 -7.817 1.874 12.491 1.00 0.00 C ATOM 787 CD ARG A 54 -7.551 2.511 11.127 1.00 0.00 C ATOM 788 NE ARG A 54 -6.596 3.632 11.269 1.00 0.00 N ATOM 789 CZ ARG A 54 -6.187 4.404 10.254 1.00 0.00 C ATOM 790 NH1 ARG A 54 -6.647 4.182 9.015 1.00 0.00 N ATOM 791 NH2 ARG A 54 -5.317 5.399 10.477 1.00 0.00 N ATOM 0 H ARG A 54 -9.612 2.599 15.689 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.443 3.722 14.086 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.605 1.796 13.696 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.641 3.026 12.449 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.927 1.956 13.115 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.022 0.811 12.366 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.150 1.766 10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.485 2.871 10.696 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.226 3.829 12.199 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.309 3.425 8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.335 4.770 8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.966 5.568 11.420 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.006 5.987 9.704 1.00 0.00 H new ATOM 802 N LEU A 55 -10.534 4.909 14.191 1.00 0.00 N ATOM 803 CA LEU A 55 -11.342 6.100 13.987 1.00 0.00 C ATOM 804 C LEU A 55 -11.792 6.161 12.526 1.00 0.00 C ATOM 805 O LEU A 55 -11.977 7.245 11.974 1.00 0.00 O ATOM 806 CB LEU A 55 -10.585 7.347 14.450 1.00 0.00 C ATOM 807 CG LEU A 55 -11.448 8.506 14.954 1.00 0.00 C ATOM 808 CD1 LEU A 55 -10.947 9.014 16.307 1.00 0.00 C ATOM 809 CD2 LEU A 55 -11.524 9.625 13.914 1.00 0.00 C ATOM 0 H LEU A 55 -11.048 4.098 14.535 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.244 6.058 14.598 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.900 7.057 15.246 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.976 7.707 13.621 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.462 8.137 15.104 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.577 9.837 16.643 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.987 8.205 17.037 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.919 9.362 16.207 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.143 10.436 14.297 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.521 10.000 13.709 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.962 9.238 12.994 1.00 0.00 H new ATOM 820 N PHE A 56 -11.956 4.983 11.940 1.00 0.00 N ATOM 821 CA PHE A 56 -12.380 4.889 10.554 1.00 0.00 C ATOM 822 C PHE A 56 -12.787 3.457 10.201 1.00 0.00 C ATOM 823 O PHE A 56 -13.759 3.245 9.478 1.00 0.00 O ATOM 824 CB PHE A 56 -11.183 5.294 9.691 1.00 0.00 C ATOM 825 CG PHE A 56 -11.505 5.421 8.201 1.00 0.00 C ATOM 826 CD1 PHE A 56 -12.521 6.228 7.792 1.00 0.00 C ATOM 827 CD2 PHE A 56 -10.776 4.729 7.285 1.00 0.00 C ATOM 828 CE1 PHE A 56 -12.820 6.347 6.408 1.00 0.00 C ATOM 829 CE2 PHE A 56 -11.074 4.847 5.903 1.00 0.00 C ATOM 830 CZ PHE A 56 -12.090 5.654 5.493 1.00 0.00 C ATOM 0 H PHE A 56 -11.803 4.086 12.401 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.241 5.535 10.384 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.795 6.247 10.051 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.390 4.557 9.819 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -13.100 6.778 8.519 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -9.969 4.089 7.610 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -13.627 6.987 6.083 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.495 4.296 5.177 1.00 0.00 H new ATOM 0 HZ PHE A 56 -12.317 5.744 4.441 1.00 0.00 H new ATOM 839 N LEU A 57 -12.023 2.512 10.729 1.00 0.00 N ATOM 840 CA LEU A 57 -12.292 1.106 10.479 1.00 0.00 C ATOM 841 C LEU A 57 -13.804 0.872 10.482 1.00 0.00 C ATOM 842 O LEU A 57 -14.301 -0.009 9.784 1.00 0.00 O ATOM 843 CB LEU A 57 -11.532 0.230 11.476 1.00 0.00 C ATOM 844 CG LEU A 57 -11.223 -1.197 11.017 1.00 0.00 C ATOM 845 CD1 LEU A 57 -9.724 -1.382 10.774 1.00 0.00 C ATOM 846 CD2 LEU A 57 -11.775 -2.224 12.007 1.00 0.00 C ATOM 0 H LEU A 57 -11.218 2.692 11.329 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.927 0.817 9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.591 0.724 11.719 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.112 0.176 12.398 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.727 -1.366 10.065 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.532 -2.404 10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.392 -0.687 10.002 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.179 -1.186 11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.541 -3.229 11.656 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.321 -2.066 12.986 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.856 -2.109 12.085 1.00 0.00 H new ATOM 857 N VAL A 58 -14.493 1.678 11.277 1.00 0.00 N ATOM 858 CA VAL A 58 -15.939 1.569 11.380 1.00 0.00 C ATOM 859 C VAL A 58 -16.315 0.129 11.731 1.00 0.00 C ATOM 860 O VAL A 58 -16.637 -0.665 10.848 1.00 0.00 O ATOM 861 CB VAL A 58 -16.594 2.061 10.087 1.00 0.00 C ATOM 862 CG1 VAL A 58 -18.097 1.767 10.089 1.00 0.00 C ATOM 863 CG2 VAL A 58 -16.327 3.552 9.869 1.00 0.00 C ATOM 0 H VAL A 58 -14.078 2.408 11.855 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.314 2.206 12.181 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.146 1.516 9.256 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.539 2.126 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -18.257 0.692 10.176 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -18.566 2.273 10.933 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.803 3.875 8.944 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -16.734 4.121 10.705 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -15.253 3.723 9.803 1.00 0.00 H new ATOM 873 N ASP A 59 -16.260 -0.167 13.021 1.00 0.00 N ATOM 874 CA ASP A 59 -16.589 -1.498 13.499 1.00 0.00 C ATOM 875 C ASP A 59 -15.503 -2.479 13.054 1.00 0.00 C ATOM 876 O ASP A 59 -14.853 -3.110 13.885 1.00 0.00 O ATOM 877 CB ASP A 59 -17.924 -1.975 12.923 1.00 0.00 C ATOM 878 CG ASP A 59 -19.044 -0.933 12.936 1.00 0.00 C ATOM 879 OD1 ASP A 59 -18.763 0.208 12.508 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.155 -1.299 13.373 1.00 0.00 O ATOM 0 H ASP A 59 -15.992 0.494 13.751 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.659 -1.458 14.586 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.763 -2.301 11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.254 -2.848 13.486 1.00 0.00 H new ATOM 884 N ASP A 60 -15.343 -2.577 11.742 1.00 0.00 N ATOM 885 CA ASP A 60 -14.347 -3.471 11.176 1.00 0.00 C ATOM 886 C ASP A 60 -13.647 -2.774 10.008 1.00 0.00 C ATOM 887 O ASP A 60 -12.915 -3.408 9.250 1.00 0.00 O ATOM 888 CB ASP A 60 -14.995 -4.751 10.644 1.00 0.00 C ATOM 889 CG ASP A 60 -15.287 -5.816 11.701 1.00 0.00 C ATOM 890 OD1 ASP A 60 -14.352 -6.125 12.471 1.00 0.00 O ATOM 891 OD2 ASP A 60 -16.441 -6.297 11.717 1.00 0.00 O ATOM 0 H ASP A 60 -15.886 -2.053 11.056 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.637 -3.726 11.963 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.929 -4.488 10.148 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.342 -5.183 9.886 1.00 0.00 H new TER 895 ASP A 60