USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 38 SER OG : rot 180:sc= -0.629 USER MOD Set 1.2: A 41 LYS NZ :NH3+ 177:sc= -1.52 (180deg=-0.927) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.013) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= 0.713 (180deg=-0.363) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 159:sc= 0 (180deg=-0.0189) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= -0.0804 (180deg=-0.105) USER MOD Single : A 22 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.02) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.0188 (180deg=-0.37) USER MOD Single : A 34 HIS : no HE2:sc= -0.159 K(o=-0.16,f=-1.9!) USER MOD Single : A 36 LYS NZ :NH3+ -123:sc= -0.531 (180deg=-0.607) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0115 (180deg=-0.332) USER MOD Single : A 46 MET CE :methyl -178:sc= 0 (180deg=-0.0103) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0106 (180deg=-0.339) USER MOD Single : A 54 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -12.814 -8.924 -12.748 1.00 0.00 N ATOM 2 CA ILE A 5 -11.739 -8.500 -13.700 1.00 0.00 C ATOM 3 C ILE A 5 -10.583 -7.832 -12.875 1.00 0.00 C ATOM 4 O ILE A 5 -9.994 -6.839 -13.293 1.00 0.00 O ATOM 5 CB ILE A 5 -12.338 -7.488 -14.831 1.00 0.00 C ATOM 6 CG1 ILE A 5 -13.571 -8.186 -15.601 1.00 0.00 C ATOM 7 CG2 ILE A 5 -11.189 -7.061 -15.895 1.00 0.00 C ATOM 8 CD1 ILE A 5 -14.416 -7.143 -16.405 1.00 0.00 C ATOM 0 HA ILE A 5 -11.343 -9.366 -14.231 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.692 -6.587 -14.330 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.191 -8.948 -16.281 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.211 -8.694 -14.879 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.614 -6.386 -16.638 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.377 -6.558 -15.371 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.804 -7.952 -16.392 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -15.237 -7.652 -16.910 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -14.818 -6.396 -15.721 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.782 -6.654 -17.145 1.00 0.00 H new ATOM 20 N MET A 6 -10.259 -8.429 -11.683 1.00 0.00 N ATOM 21 CA MET A 6 -9.163 -7.911 -10.786 1.00 0.00 C ATOM 22 C MET A 6 -9.230 -6.340 -10.658 1.00 0.00 C ATOM 23 O MET A 6 -8.201 -5.664 -10.524 1.00 0.00 O ATOM 24 CB MET A 6 -7.772 -8.381 -11.382 1.00 0.00 C ATOM 25 CG MET A 6 -7.643 -9.962 -11.318 1.00 0.00 C ATOM 26 SD MET A 6 -6.035 -10.486 -12.008 1.00 0.00 S ATOM 27 CE MET A 6 -6.306 -12.286 -11.970 1.00 0.00 C ATOM 0 H MET A 6 -10.732 -9.258 -11.322 1.00 0.00 H new ATOM 0 HA MET A 6 -9.286 -8.313 -9.780 1.00 0.00 H new ATOM 0 HB2 MET A 6 -7.680 -8.045 -12.415 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.957 -7.921 -10.823 1.00 0.00 H new ATOM 0 HG2 MET A 6 -7.733 -10.301 -10.286 1.00 0.00 H new ATOM 0 HG3 MET A 6 -8.456 -10.424 -11.877 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.424 -12.795 -12.358 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.487 -12.605 -10.944 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.170 -12.537 -12.586 1.00 0.00 H new ATOM 37 N GLN A 7 -10.480 -5.792 -10.719 1.00 0.00 N ATOM 38 CA GLN A 7 -10.732 -4.312 -10.625 1.00 0.00 C ATOM 39 C GLN A 7 -10.322 -3.780 -9.255 1.00 0.00 C ATOM 40 O GLN A 7 -9.724 -2.705 -9.152 1.00 0.00 O ATOM 41 CB GLN A 7 -12.273 -4.011 -10.890 1.00 0.00 C ATOM 42 CG GLN A 7 -12.594 -4.028 -12.438 1.00 0.00 C ATOM 43 CD GLN A 7 -12.073 -2.744 -13.132 1.00 0.00 C ATOM 44 OE1 GLN A 7 -12.506 -1.644 -12.791 1.00 0.00 O ATOM 45 NE2 GLN A 7 -11.153 -2.821 -14.068 1.00 0.00 N ATOM 0 H GLN A 7 -11.328 -6.347 -10.832 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.131 -3.807 -11.381 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.886 -4.754 -10.379 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.535 -3.039 -10.471 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.136 -4.904 -12.897 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.670 -4.115 -12.588 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.791 -3.731 -14.354 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.801 -1.971 -14.508 1.00 0.00 H new ATOM 54 N ALA A 8 -10.646 -4.553 -8.205 1.00 0.00 N ATOM 55 CA ALA A 8 -10.315 -4.173 -6.815 1.00 0.00 C ATOM 56 C ALA A 8 -8.786 -3.985 -6.667 1.00 0.00 C ATOM 57 O ALA A 8 -8.316 -2.972 -6.113 1.00 0.00 O ATOM 58 CB ALA A 8 -10.805 -5.298 -5.842 1.00 0.00 C ATOM 0 H ALA A 8 -11.136 -5.444 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.811 -3.234 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.563 -5.022 -4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.884 -5.420 -5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.310 -6.236 -6.092 1.00 0.00 H new ATOM 64 N LYS A 9 -8.020 -4.985 -7.160 1.00 0.00 N ATOM 65 CA LYS A 9 -6.536 -4.962 -7.085 1.00 0.00 C ATOM 66 C LYS A 9 -5.943 -3.817 -7.956 1.00 0.00 C ATOM 67 O LYS A 9 -5.000 -3.125 -7.542 1.00 0.00 O ATOM 68 CB LYS A 9 -5.937 -6.355 -7.520 1.00 0.00 C ATOM 69 CG LYS A 9 -4.425 -6.501 -7.040 1.00 0.00 C ATOM 70 CD LYS A 9 -3.841 -7.937 -7.390 1.00 0.00 C ATOM 71 CE LYS A 9 -2.362 -8.084 -6.874 1.00 0.00 C ATOM 72 NZ LYS A 9 -1.871 -9.443 -7.199 1.00 0.00 N ATOM 0 H LYS A 9 -8.401 -5.816 -7.613 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.258 -4.772 -6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.536 -7.161 -7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.989 -6.455 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.815 -5.733 -7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.366 -6.335 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.466 -8.708 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.871 -8.093 -8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.724 -7.332 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.320 -7.916 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.893 -9.549 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.476 -10.151 -6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.899 -9.585 -8.229 1.00 0.00 H new ATOM 86 N GLU A 10 -6.507 -3.644 -9.178 1.00 0.00 N ATOM 87 CA GLU A 10 -6.045 -2.596 -10.136 1.00 0.00 C ATOM 88 C GLU A 10 -6.316 -1.191 -9.537 1.00 0.00 C ATOM 89 O GLU A 10 -5.492 -0.273 -9.651 1.00 0.00 O ATOM 90 CB GLU A 10 -6.829 -2.773 -11.503 1.00 0.00 C ATOM 91 CG GLU A 10 -6.321 -1.746 -12.616 1.00 0.00 C ATOM 92 CD GLU A 10 -7.056 -1.934 -13.972 1.00 0.00 C ATOM 93 OE1 GLU A 10 -8.065 -2.629 -14.011 1.00 0.00 O ATOM 94 OE2 GLU A 10 -6.591 -1.365 -14.952 1.00 0.00 O ATOM 0 H GLU A 10 -7.279 -4.212 -9.526 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.975 -2.697 -10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.702 -3.793 -11.865 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.895 -2.626 -11.332 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.472 -0.726 -12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.249 -1.876 -12.765 1.00 0.00 H new ATOM 101 N ASP A 11 -7.494 -1.064 -8.873 1.00 0.00 N ATOM 102 CA ASP A 11 -7.920 0.208 -8.211 1.00 0.00 C ATOM 103 C ASP A 11 -6.925 0.527 -7.083 1.00 0.00 C ATOM 104 O ASP A 11 -6.624 1.702 -6.813 1.00 0.00 O ATOM 105 CB ASP A 11 -9.386 0.091 -7.615 1.00 0.00 C ATOM 106 CG ASP A 11 -10.466 0.010 -8.735 1.00 0.00 C ATOM 107 OD1 ASP A 11 -10.152 0.293 -9.884 1.00 0.00 O ATOM 108 OD2 ASP A 11 -11.592 -0.334 -8.407 1.00 0.00 O ATOM 0 H ASP A 11 -8.169 -1.823 -8.779 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.929 1.006 -8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.451 -0.795 -6.984 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.588 0.952 -6.978 1.00 0.00 H new ATOM 113 N PHE A 12 -6.423 -0.544 -6.425 1.00 0.00 N ATOM 114 CA PHE A 12 -5.460 -0.396 -5.318 1.00 0.00 C ATOM 115 C PHE A 12 -4.139 0.237 -5.813 1.00 0.00 C ATOM 116 O PHE A 12 -3.650 1.215 -5.233 1.00 0.00 O ATOM 117 CB PHE A 12 -5.185 -1.792 -4.642 1.00 0.00 C ATOM 118 CG PHE A 12 -4.769 -1.556 -3.153 1.00 0.00 C ATOM 119 CD1 PHE A 12 -3.484 -1.058 -2.845 1.00 0.00 C ATOM 120 CD2 PHE A 12 -5.682 -1.810 -2.099 1.00 0.00 C ATOM 121 CE1 PHE A 12 -3.118 -0.816 -1.508 1.00 0.00 C ATOM 122 CE2 PHE A 12 -5.305 -1.569 -0.781 1.00 0.00 C ATOM 123 CZ PHE A 12 -4.026 -1.076 -0.479 1.00 0.00 C ATOM 0 H PHE A 12 -6.668 -1.510 -6.642 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.895 0.272 -4.575 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.077 -2.417 -4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.395 -2.321 -5.175 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.779 -0.862 -3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.669 -2.190 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.136 -0.430 -1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.005 -1.764 0.018 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.744 -0.898 0.548 1.00 0.00 H new ATOM 133 N LYS A 13 -3.578 -0.328 -6.902 1.00 0.00 N ATOM 134 CA LYS A 13 -2.313 0.176 -7.501 1.00 0.00 C ATOM 135 C LYS A 13 -2.492 1.588 -8.016 1.00 0.00 C ATOM 136 O LYS A 13 -1.603 2.449 -7.873 1.00 0.00 O ATOM 137 CB LYS A 13 -1.893 -0.768 -8.675 1.00 0.00 C ATOM 138 CG LYS A 13 -1.474 -2.187 -8.113 1.00 0.00 C ATOM 139 CD LYS A 13 -1.037 -3.154 -9.294 1.00 0.00 C ATOM 140 CE LYS A 13 -0.595 -4.543 -8.733 1.00 0.00 C ATOM 141 NZ LYS A 13 -0.198 -5.412 -9.864 1.00 0.00 N ATOM 0 H LYS A 13 -3.976 -1.132 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.536 0.187 -6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.719 -0.877 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.062 -0.327 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.652 -2.075 -7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.308 -2.627 -7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.866 -3.284 -9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.217 -2.705 -9.855 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.238 -4.422 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.411 -5.001 -8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.098 -6.340 -9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.005 -5.534 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.592 -4.973 -10.378 1.00 0.00 H new ATOM 155 N LYS A 14 -3.664 1.811 -8.643 1.00 0.00 N ATOM 156 CA LYS A 14 -4.000 3.107 -9.223 1.00 0.00 C ATOM 157 C LYS A 14 -3.992 4.175 -8.109 1.00 0.00 C ATOM 158 O LYS A 14 -3.503 5.281 -8.295 1.00 0.00 O ATOM 159 CB LYS A 14 -5.427 3.048 -9.916 1.00 0.00 C ATOM 160 CG LYS A 14 -5.743 4.424 -10.662 1.00 0.00 C ATOM 161 CD LYS A 14 -7.132 4.390 -11.425 1.00 0.00 C ATOM 162 CE LYS A 14 -7.377 5.767 -12.158 1.00 0.00 C ATOM 163 NZ LYS A 14 -6.275 5.985 -13.144 1.00 0.00 N ATOM 0 H LYS A 14 -4.389 1.102 -8.756 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.262 3.366 -9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.457 2.225 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.194 2.849 -9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.751 5.236 -9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.946 4.641 -11.373 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.139 3.576 -12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.940 4.195 -10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.342 5.759 -12.665 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.404 6.581 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.651 6.471 -13.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.531 6.568 -12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.875 5.067 -13.426 1.00 0.00 H new ATOM 177 N MET A 15 -4.563 3.822 -6.948 1.00 0.00 N ATOM 178 CA MET A 15 -4.626 4.758 -5.810 1.00 0.00 C ATOM 179 C MET A 15 -3.196 5.026 -5.225 1.00 0.00 C ATOM 180 O MET A 15 -2.844 6.157 -4.953 1.00 0.00 O ATOM 181 CB MET A 15 -5.567 4.162 -4.689 1.00 0.00 C ATOM 182 CG MET A 15 -5.910 5.242 -3.571 1.00 0.00 C ATOM 183 SD MET A 15 -6.998 6.529 -4.289 1.00 0.00 S ATOM 184 CE MET A 15 -7.234 7.558 -2.824 1.00 0.00 C ATOM 0 H MET A 15 -4.983 2.909 -6.771 1.00 0.00 H new ATOM 0 HA MET A 15 -5.031 5.707 -6.161 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.491 3.802 -5.143 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.083 3.302 -4.227 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.403 4.763 -2.725 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.993 5.694 -3.192 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.878 8.402 -3.072 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.698 6.967 -2.035 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.268 7.928 -2.480 1.00 0.00 H new ATOM 194 N MET A 16 -2.412 3.935 -5.026 1.00 0.00 N ATOM 195 CA MET A 16 -1.034 4.005 -4.414 1.00 0.00 C ATOM 196 C MET A 16 -0.040 4.838 -5.274 1.00 0.00 C ATOM 197 O MET A 16 0.751 5.635 -4.728 1.00 0.00 O ATOM 198 CB MET A 16 -0.479 2.532 -4.268 1.00 0.00 C ATOM 199 CG MET A 16 -1.179 1.727 -3.093 1.00 0.00 C ATOM 200 SD MET A 16 -0.763 2.448 -1.457 1.00 0.00 S ATOM 201 CE MET A 16 0.720 1.460 -1.059 1.00 0.00 C ATOM 0 H MET A 16 -2.700 2.989 -5.277 1.00 0.00 H new ATOM 0 HA MET A 16 -1.120 4.500 -3.447 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.626 1.998 -5.207 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.595 2.569 -4.088 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.260 1.738 -3.234 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.864 0.684 -3.125 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.317 1.984 -0.313 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.416 0.490 -0.665 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.313 1.315 -1.962 1.00 0.00 H new ATOM 211 N GLU A 17 -0.071 4.647 -6.610 1.00 0.00 N ATOM 212 CA GLU A 17 0.846 5.379 -7.535 1.00 0.00 C ATOM 213 C GLU A 17 0.444 6.886 -7.585 1.00 0.00 C ATOM 214 O GLU A 17 1.300 7.776 -7.620 1.00 0.00 O ATOM 215 CB GLU A 17 0.819 4.677 -8.975 1.00 0.00 C ATOM 216 CG GLU A 17 -0.526 4.970 -9.745 1.00 0.00 C ATOM 217 CD GLU A 17 -0.671 4.096 -11.016 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.735 2.886 -10.870 1.00 0.00 O ATOM 219 OE2 GLU A 17 -0.743 4.654 -12.105 1.00 0.00 O ATOM 0 H GLU A 17 -0.709 4.002 -7.076 1.00 0.00 H new ATOM 0 HA GLU A 17 1.874 5.335 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.662 5.032 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.943 3.601 -8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.371 4.787 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.562 6.023 -10.024 1.00 0.00 H new ATOM 226 N GLU A 18 -0.914 7.139 -7.571 1.00 0.00 N ATOM 227 CA GLU A 18 -1.502 8.528 -7.602 1.00 0.00 C ATOM 228 C GLU A 18 -1.465 9.198 -6.201 1.00 0.00 C ATOM 229 O GLU A 18 -1.494 10.433 -6.107 1.00 0.00 O ATOM 230 CB GLU A 18 -3.025 8.466 -8.079 1.00 0.00 C ATOM 231 CG GLU A 18 -3.158 8.036 -9.605 1.00 0.00 C ATOM 232 CD GLU A 18 -4.646 7.911 -10.052 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.535 8.169 -9.244 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.865 7.553 -11.200 1.00 0.00 O ATOM 0 H GLU A 18 -1.616 6.400 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.901 9.116 -8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.571 7.759 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.489 9.442 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.652 8.769 -10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.653 7.082 -9.758 1.00 0.00 H new ATOM 241 N ALA A 19 -1.417 8.372 -5.122 1.00 0.00 N ATOM 242 CA ALA A 19 -1.396 8.889 -3.720 1.00 0.00 C ATOM 243 C ALA A 19 0.043 9.147 -3.303 1.00 0.00 C ATOM 244 O ALA A 19 0.296 9.376 -2.124 1.00 0.00 O ATOM 245 CB ALA A 19 -2.053 7.827 -2.746 1.00 0.00 C ATOM 0 H ALA A 19 -1.392 7.355 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.964 9.818 -3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.035 8.209 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.085 7.646 -3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.492 6.894 -2.794 1.00 0.00 H new ATOM 251 N LYS A 20 1.008 9.010 -4.302 1.00 0.00 N ATOM 252 CA LYS A 20 2.485 9.109 -4.033 1.00 0.00 C ATOM 253 C LYS A 20 2.713 9.944 -2.774 1.00 0.00 C ATOM 254 O LYS A 20 2.302 11.106 -2.716 1.00 0.00 O ATOM 255 CB LYS A 20 3.243 9.763 -5.271 1.00 0.00 C ATOM 256 CG LYS A 20 4.849 9.567 -5.179 1.00 0.00 C ATOM 257 CD LYS A 20 5.301 8.141 -5.755 1.00 0.00 C ATOM 258 CE LYS A 20 6.846 7.912 -5.599 1.00 0.00 C ATOM 259 NZ LYS A 20 7.188 6.591 -6.206 1.00 0.00 N ATOM 0 H LYS A 20 0.779 8.834 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 20 2.886 8.106 -3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.877 9.317 -6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.011 10.827 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.346 10.360 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.169 9.659 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.762 7.351 -5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.028 8.071 -6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.400 8.711 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.128 7.931 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.193 6.382 -6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.602 5.848 -5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.007 6.622 -7.230 1.00 0.00 H new ATOM 273 N PHE A 21 3.296 9.301 -1.746 1.00 0.00 N ATOM 274 CA PHE A 21 3.525 9.915 -0.424 1.00 0.00 C ATOM 275 C PHE A 21 4.931 9.596 0.043 1.00 0.00 C ATOM 276 O PHE A 21 5.648 8.828 -0.619 1.00 0.00 O ATOM 277 CB PHE A 21 2.434 9.360 0.578 1.00 0.00 C ATOM 278 CG PHE A 21 2.537 7.778 0.690 1.00 0.00 C ATOM 279 CD1 PHE A 21 1.905 6.939 -0.275 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.276 7.175 1.739 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.014 5.538 -0.183 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.382 5.769 1.819 1.00 0.00 C ATOM 283 CZ PHE A 21 2.746 4.954 0.858 1.00 0.00 C ATOM 0 H PHE A 21 3.623 8.337 -1.809 1.00 0.00 H new ATOM 0 HA PHE A 21 3.433 11.000 -0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.572 9.810 1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.439 9.642 0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.339 7.381 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.760 7.794 2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.531 4.912 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.951 5.316 2.617 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.824 3.879 0.926 1.00 0.00 H new ATOM 293 N ASN A 22 5.334 10.209 1.173 1.00 0.00 N ATOM 294 CA ASN A 22 6.684 10.010 1.744 1.00 0.00 C ATOM 295 C ASN A 22 7.073 8.458 1.736 1.00 0.00 C ATOM 296 O ASN A 22 6.341 7.655 2.330 1.00 0.00 O ATOM 297 CB ASN A 22 6.685 10.587 3.204 1.00 0.00 C ATOM 298 CG ASN A 22 6.498 12.119 3.159 1.00 0.00 C ATOM 299 OD1 ASN A 22 5.463 12.650 3.575 1.00 0.00 O ATOM 300 ND2 ASN A 22 7.450 12.848 2.652 1.00 0.00 N ATOM 0 H ASN A 22 4.745 10.846 1.710 1.00 0.00 H new ATOM 0 HA ASN A 22 7.429 10.531 1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.885 10.130 3.786 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.622 10.340 3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.343 13.861 2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.303 12.406 2.309 1.00 0.00 H new ATOM 307 N PRO A 23 8.179 8.030 1.040 1.00 0.00 N ATOM 308 CA PRO A 23 8.569 6.555 0.951 1.00 0.00 C ATOM 309 C PRO A 23 9.050 5.998 2.305 1.00 0.00 C ATOM 310 O PRO A 23 9.108 4.775 2.489 1.00 0.00 O ATOM 311 CB PRO A 23 9.705 6.534 -0.151 1.00 0.00 C ATOM 312 CG PRO A 23 10.334 7.911 -0.082 1.00 0.00 C ATOM 313 CD PRO A 23 9.180 8.889 0.288 1.00 0.00 C ATOM 0 HA PRO A 23 7.727 5.914 0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.438 5.753 0.051 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.293 6.336 -1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.127 7.941 0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.785 8.183 -1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.540 9.712 0.906 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.733 9.331 -0.603 1.00 0.00 H new ATOM 321 N ARG A 24 9.412 6.918 3.241 1.00 0.00 N ATOM 322 CA ARG A 24 9.932 6.537 4.599 1.00 0.00 C ATOM 323 C ARG A 24 8.781 6.372 5.605 1.00 0.00 C ATOM 324 O ARG A 24 9.003 5.898 6.730 1.00 0.00 O ATOM 325 CB ARG A 24 10.936 7.634 5.080 1.00 0.00 C ATOM 326 CG ARG A 24 12.191 7.710 4.105 1.00 0.00 C ATOM 327 CD ARG A 24 13.139 8.885 4.525 1.00 0.00 C ATOM 328 NE ARG A 24 13.652 8.618 5.891 1.00 0.00 N ATOM 329 CZ ARG A 24 14.399 9.508 6.584 1.00 0.00 C ATOM 330 NH1 ARG A 24 14.712 10.668 6.061 1.00 0.00 N ATOM 331 NH2 ARG A 24 14.794 9.207 7.786 1.00 0.00 N ATOM 0 H ARG A 24 9.356 7.925 3.088 1.00 0.00 H new ATOM 0 HA ARG A 24 10.444 5.577 4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.436 8.602 5.115 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.269 7.411 6.094 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.737 6.767 4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.854 7.855 3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.967 8.973 3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.600 9.832 4.502 1.00 0.00 H new ATOM 0 HE ARG A 24 13.432 7.723 6.328 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.392 10.907 5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.276 11.332 6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.540 8.308 8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.358 9.870 8.319 1.00 0.00 H new ATOM 345 N ALA A 25 7.542 6.715 5.186 1.00 0.00 N ATOM 346 CA ALA A 25 6.354 6.543 6.048 1.00 0.00 C ATOM 347 C ALA A 25 6.068 5.043 6.135 1.00 0.00 C ATOM 348 O ALA A 25 6.417 4.300 5.218 1.00 0.00 O ATOM 349 CB ALA A 25 5.130 7.298 5.458 1.00 0.00 C ATOM 0 H ALA A 25 7.341 7.108 4.266 1.00 0.00 H new ATOM 0 HA ALA A 25 6.541 6.957 7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.267 7.157 6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.359 8.361 5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.904 6.906 4.466 1.00 0.00 H new ATOM 355 N THR A 26 5.448 4.625 7.238 1.00 0.00 N ATOM 356 CA THR A 26 5.101 3.216 7.483 1.00 0.00 C ATOM 357 C THR A 26 3.662 2.977 7.034 1.00 0.00 C ATOM 358 O THR A 26 2.911 3.931 6.778 1.00 0.00 O ATOM 359 CB THR A 26 5.259 2.903 9.016 1.00 0.00 C ATOM 360 OG1 THR A 26 4.325 3.686 9.745 1.00 0.00 O ATOM 361 CG2 THR A 26 6.707 3.245 9.524 1.00 0.00 C ATOM 0 H THR A 26 5.169 5.252 7.992 1.00 0.00 H new ATOM 0 HA THR A 26 5.764 2.558 6.921 1.00 0.00 H new ATOM 0 HB THR A 26 5.080 1.839 9.168 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.415 3.496 10.702 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.783 3.017 10.587 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.436 2.651 8.973 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.908 4.304 9.365 1.00 0.00 H new ATOM 369 N PHE A 27 3.278 1.694 6.968 1.00 0.00 N ATOM 370 CA PHE A 27 1.914 1.274 6.587 1.00 0.00 C ATOM 371 C PHE A 27 0.865 1.845 7.582 1.00 0.00 C ATOM 372 O PHE A 27 -0.207 2.297 7.174 1.00 0.00 O ATOM 373 CB PHE A 27 1.824 -0.288 6.549 1.00 0.00 C ATOM 374 CG PHE A 27 0.339 -0.710 6.256 1.00 0.00 C ATOM 375 CD1 PHE A 27 -0.219 -0.474 4.975 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.481 -1.268 7.283 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.556 -0.785 4.721 1.00 0.00 C ATOM 378 CE2 PHE A 27 -1.820 -1.588 7.013 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.358 -1.346 5.736 1.00 0.00 C ATOM 0 H PHE A 27 3.902 0.915 7.177 1.00 0.00 H new ATOM 0 HA PHE A 27 1.697 1.668 5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.486 -0.684 5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.153 -0.707 7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.393 -0.052 4.192 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.071 -1.444 8.267 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.977 -0.595 3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.438 -2.020 7.786 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.390 -1.591 5.532 1.00 0.00 H new ATOM 389 N SER A 28 1.185 1.787 8.882 1.00 0.00 N ATOM 390 CA SER A 28 0.270 2.269 9.955 1.00 0.00 C ATOM 391 C SER A 28 -0.069 3.771 9.746 1.00 0.00 C ATOM 392 O SER A 28 -1.231 4.175 9.875 1.00 0.00 O ATOM 393 CB SER A 28 0.948 2.070 11.338 1.00 0.00 C ATOM 394 OG SER A 28 0.063 2.489 12.369 1.00 0.00 O ATOM 0 H SER A 28 2.069 1.413 9.228 1.00 0.00 H new ATOM 0 HA SER A 28 -0.656 1.696 9.915 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.213 1.022 11.477 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.874 2.642 11.386 1.00 0.00 H new ATOM 0 HG SER A 28 0.492 2.361 13.241 1.00 0.00 H new ATOM 400 N GLU A 29 0.954 4.576 9.386 1.00 0.00 N ATOM 401 CA GLU A 29 0.768 6.037 9.115 1.00 0.00 C ATOM 402 C GLU A 29 -0.063 6.251 7.818 1.00 0.00 C ATOM 403 O GLU A 29 -1.000 7.060 7.794 1.00 0.00 O ATOM 404 CB GLU A 29 2.189 6.726 8.976 1.00 0.00 C ATOM 405 CG GLU A 29 2.977 6.726 10.359 1.00 0.00 C ATOM 406 CD GLU A 29 2.261 7.605 11.413 1.00 0.00 C ATOM 407 OE1 GLU A 29 2.022 8.765 11.117 1.00 0.00 O ATOM 408 OE2 GLU A 29 1.946 7.101 12.486 1.00 0.00 O ATOM 0 H GLU A 29 1.914 4.251 9.274 1.00 0.00 H new ATOM 0 HA GLU A 29 0.224 6.489 9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.776 6.202 8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.065 7.751 8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.063 5.705 10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.991 7.095 10.203 1.00 0.00 H new ATOM 415 N PHE A 30 0.276 5.493 6.749 1.00 0.00 N ATOM 416 CA PHE A 30 -0.450 5.579 5.457 1.00 0.00 C ATOM 417 C PHE A 30 -1.935 5.103 5.615 1.00 0.00 C ATOM 418 O PHE A 30 -2.871 5.741 5.107 1.00 0.00 O ATOM 419 CB PHE A 30 0.290 4.694 4.391 1.00 0.00 C ATOM 420 CG PHE A 30 -0.466 4.810 3.022 1.00 0.00 C ATOM 421 CD1 PHE A 30 -0.308 5.975 2.231 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.371 3.791 2.594 1.00 0.00 C ATOM 423 CE1 PHE A 30 -1.024 6.119 1.034 1.00 0.00 C ATOM 424 CE2 PHE A 30 -2.091 3.952 1.397 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.918 5.113 0.618 1.00 0.00 C ATOM 0 H PHE A 30 1.042 4.819 6.753 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.464 6.618 5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.323 5.023 4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.319 3.655 4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.367 6.755 2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.502 2.899 3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.890 7.004 0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.778 3.184 1.074 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.473 5.232 -0.301 1.00 0.00 H new ATOM 435 N ALA A 31 -2.111 3.963 6.324 1.00 0.00 N ATOM 436 CA ALA A 31 -3.445 3.356 6.567 1.00 0.00 C ATOM 437 C ALA A 31 -4.305 4.285 7.447 1.00 0.00 C ATOM 438 O ALA A 31 -5.489 4.413 7.219 1.00 0.00 O ATOM 439 CB ALA A 31 -3.267 1.961 7.244 1.00 0.00 C ATOM 0 H ALA A 31 -1.341 3.441 6.741 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.959 3.223 5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.246 1.516 7.422 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.686 1.311 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.745 2.081 8.193 1.00 0.00 H new ATOM 445 N ALA A 32 -3.667 4.940 8.441 1.00 0.00 N ATOM 446 CA ALA A 32 -4.372 5.884 9.366 1.00 0.00 C ATOM 447 C ALA A 32 -5.046 7.036 8.551 1.00 0.00 C ATOM 448 O ALA A 32 -6.181 7.441 8.859 1.00 0.00 O ATOM 449 CB ALA A 32 -3.344 6.479 10.398 1.00 0.00 C ATOM 0 H ALA A 32 -2.670 4.840 8.631 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.148 5.342 9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.859 7.166 11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.900 5.669 10.977 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.560 7.015 9.863 1.00 0.00 H new ATOM 455 N LYS A 33 -4.350 7.529 7.500 1.00 0.00 N ATOM 456 CA LYS A 33 -4.887 8.603 6.607 1.00 0.00 C ATOM 457 C LYS A 33 -6.046 8.076 5.717 1.00 0.00 C ATOM 458 O LYS A 33 -7.049 8.773 5.520 1.00 0.00 O ATOM 459 CB LYS A 33 -3.718 9.154 5.706 1.00 0.00 C ATOM 460 CG LYS A 33 -2.632 9.898 6.595 1.00 0.00 C ATOM 461 CD LYS A 33 -1.427 10.436 5.699 1.00 0.00 C ATOM 462 CE LYS A 33 -0.375 11.184 6.596 1.00 0.00 C ATOM 463 NZ LYS A 33 0.172 10.221 7.594 1.00 0.00 N ATOM 0 H LYS A 33 -3.417 7.206 7.243 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.289 9.404 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.251 8.332 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.119 9.841 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.098 10.731 7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.249 9.215 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.949 9.604 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.807 11.111 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.429 11.587 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.842 12.028 7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.053 10.600 7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.522 10.078 8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.367 9.312 7.128 1.00 0.00 H new ATOM 477 N HIS A 34 -5.875 6.847 5.159 1.00 0.00 N ATOM 478 CA HIS A 34 -6.887 6.231 4.247 1.00 0.00 C ATOM 479 C HIS A 34 -7.831 5.294 5.036 1.00 0.00 C ATOM 480 O HIS A 34 -8.679 4.647 4.449 1.00 0.00 O ATOM 481 CB HIS A 34 -6.119 5.440 3.116 1.00 0.00 C ATOM 482 CG HIS A 34 -5.340 6.425 2.244 1.00 0.00 C ATOM 483 ND1 HIS A 34 -4.107 6.932 2.633 1.00 0.00 N ATOM 484 CD2 HIS A 34 -5.624 7.031 1.039 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.704 7.801 1.682 1.00 0.00 C ATOM 486 NE2 HIS A 34 -4.592 7.896 0.690 1.00 0.00 N ATOM 0 H HIS A 34 -5.054 6.264 5.321 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.505 7.007 3.795 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.438 4.716 3.563 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.826 4.878 2.506 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.598 6.691 3.484 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.515 6.860 0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.776 8.352 1.719 1.00 0.00 H new ATOM 494 N ALA A 35 -7.628 5.194 6.380 1.00 0.00 N ATOM 495 CA ALA A 35 -8.431 4.269 7.257 1.00 0.00 C ATOM 496 C ALA A 35 -9.939 4.511 7.060 1.00 0.00 C ATOM 497 O ALA A 35 -10.734 3.558 7.039 1.00 0.00 O ATOM 498 CB ALA A 35 -8.062 4.494 8.779 1.00 0.00 C ATOM 0 H ALA A 35 -6.924 5.734 6.883 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.192 3.244 6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.650 3.818 9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.001 4.294 8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.280 5.525 9.058 1.00 0.00 H new ATOM 504 N LYS A 36 -10.316 5.803 6.912 1.00 0.00 N ATOM 505 CA LYS A 36 -11.732 6.203 6.718 1.00 0.00 C ATOM 506 C LYS A 36 -12.168 5.923 5.262 1.00 0.00 C ATOM 507 O LYS A 36 -13.370 5.931 4.967 1.00 0.00 O ATOM 508 CB LYS A 36 -11.874 7.757 7.053 1.00 0.00 C ATOM 509 CG LYS A 36 -11.025 8.645 5.998 1.00 0.00 C ATOM 510 CD LYS A 36 -11.107 10.201 6.321 1.00 0.00 C ATOM 511 CE LYS A 36 -10.341 11.045 5.215 1.00 0.00 C ATOM 512 NZ LYS A 36 -8.914 10.623 5.162 1.00 0.00 N ATOM 0 H LYS A 36 -9.662 6.585 6.923 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.375 5.626 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.924 8.048 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.522 7.950 8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.983 8.327 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.398 8.464 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.150 10.514 6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.673 10.397 7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.810 10.899 4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.408 12.109 5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.302 11.448 5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.736 9.908 5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.706 10.218 4.227 1.00 0.00 H new ATOM 526 N ASP A 37 -11.177 5.674 4.345 1.00 0.00 N ATOM 527 CA ASP A 37 -11.483 5.396 2.909 1.00 0.00 C ATOM 528 C ASP A 37 -12.252 4.063 2.813 1.00 0.00 C ATOM 529 O ASP A 37 -11.935 3.116 3.535 1.00 0.00 O ATOM 530 CB ASP A 37 -10.152 5.339 2.044 1.00 0.00 C ATOM 531 CG ASP A 37 -10.469 5.475 0.531 1.00 0.00 C ATOM 532 OD1 ASP A 37 -11.282 4.707 0.050 1.00 0.00 O ATOM 533 OD2 ASP A 37 -9.897 6.352 -0.113 1.00 0.00 O ATOM 0 H ASP A 37 -10.183 5.661 4.573 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.097 6.203 2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.479 6.139 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.634 4.398 2.228 1.00 0.00 H new ATOM 538 N SER A 38 -13.275 4.013 1.940 1.00 0.00 N ATOM 539 CA SER A 38 -14.122 2.798 1.768 1.00 0.00 C ATOM 540 C SER A 38 -13.280 1.600 1.260 1.00 0.00 C ATOM 541 O SER A 38 -13.650 0.441 1.442 1.00 0.00 O ATOM 542 CB SER A 38 -15.266 3.121 0.761 1.00 0.00 C ATOM 543 OG SER A 38 -15.894 1.914 0.330 1.00 0.00 O ATOM 0 H SER A 38 -13.542 4.793 1.340 1.00 0.00 H new ATOM 0 HA SER A 38 -14.545 2.518 2.733 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.001 3.775 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.864 3.658 -0.098 1.00 0.00 H new ATOM 0 HG SER A 38 -16.613 2.127 -0.301 1.00 0.00 H new ATOM 549 N ARG A 39 -12.140 1.928 0.641 1.00 0.00 N ATOM 550 CA ARG A 39 -11.175 0.935 0.095 1.00 0.00 C ATOM 551 C ARG A 39 -10.461 0.176 1.228 1.00 0.00 C ATOM 552 O ARG A 39 -9.972 -0.943 1.022 1.00 0.00 O ATOM 553 CB ARG A 39 -10.110 1.701 -0.777 1.00 0.00 C ATOM 554 CG ARG A 39 -10.687 2.105 -2.207 1.00 0.00 C ATOM 555 CD ARG A 39 -9.760 3.199 -2.895 1.00 0.00 C ATOM 556 NE ARG A 39 -8.321 2.964 -2.589 1.00 0.00 N ATOM 557 CZ ARG A 39 -7.634 1.889 -2.995 1.00 0.00 C ATOM 558 NH1 ARG A 39 -8.191 0.991 -3.784 1.00 0.00 N ATOM 559 NH2 ARG A 39 -6.404 1.740 -2.579 1.00 0.00 N ATOM 0 H ARG A 39 -11.848 2.895 0.498 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.716 0.208 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.788 2.599 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.228 1.073 -0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.750 1.222 -2.843 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.700 2.494 -2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.912 3.180 -3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.049 4.192 -2.550 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.829 3.666 -2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.156 1.111 -4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.657 0.176 -4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.988 2.435 -1.959 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.860 0.929 -2.875 1.00 0.00 H new ATOM 573 N PHE A 40 -10.362 0.817 2.424 1.00 0.00 N ATOM 574 CA PHE A 40 -9.663 0.198 3.576 1.00 0.00 C ATOM 575 C PHE A 40 -10.448 -1.041 4.110 1.00 0.00 C ATOM 576 O PHE A 40 -9.876 -2.128 4.304 1.00 0.00 O ATOM 577 CB PHE A 40 -9.456 1.252 4.710 1.00 0.00 C ATOM 578 CG PHE A 40 -8.761 0.561 5.932 1.00 0.00 C ATOM 579 CD1 PHE A 40 -7.368 0.308 5.896 1.00 0.00 C ATOM 580 CD2 PHE A 40 -9.525 0.128 7.060 1.00 0.00 C ATOM 581 CE1 PHE A 40 -6.746 -0.355 6.963 1.00 0.00 C ATOM 582 CE2 PHE A 40 -8.890 -0.543 8.118 1.00 0.00 C ATOM 583 CZ PHE A 40 -7.503 -0.783 8.072 1.00 0.00 C ATOM 0 H PHE A 40 -10.749 1.742 2.611 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.686 -0.148 3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.845 2.079 4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.415 1.673 5.012 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.784 0.626 5.045 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.588 0.316 7.099 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.682 -0.539 6.935 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.467 -0.876 8.969 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.018 -1.297 8.889 1.00 0.00 H new ATOM 593 N LYS A 41 -11.758 -0.823 4.375 1.00 0.00 N ATOM 594 CA LYS A 41 -12.658 -1.875 4.941 1.00 0.00 C ATOM 595 C LYS A 41 -13.060 -2.893 3.849 1.00 0.00 C ATOM 596 O LYS A 41 -13.568 -3.975 4.161 1.00 0.00 O ATOM 597 CB LYS A 41 -13.970 -1.195 5.569 1.00 0.00 C ATOM 598 CG LYS A 41 -14.950 -0.642 4.421 1.00 0.00 C ATOM 599 CD LYS A 41 -16.252 0.050 5.015 1.00 0.00 C ATOM 600 CE LYS A 41 -17.301 0.336 3.853 1.00 0.00 C ATOM 601 NZ LYS A 41 -16.673 1.180 2.807 1.00 0.00 N ATOM 0 H LYS A 41 -12.222 0.070 4.208 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.120 -2.405 5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.501 -1.923 6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.678 -0.376 6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.411 0.075 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.245 -1.466 3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.702 -0.594 5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.983 0.983 5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.642 -0.604 3.419 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.180 0.837 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.345 1.322 2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.415 2.102 3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.819 0.709 2.447 1.00 0.00 H new ATOM 615 N ALA A 42 -12.825 -2.525 2.553 1.00 0.00 N ATOM 616 CA ALA A 42 -13.161 -3.393 1.383 1.00 0.00 C ATOM 617 C ALA A 42 -12.326 -4.679 1.430 1.00 0.00 C ATOM 618 O ALA A 42 -12.815 -5.761 1.064 1.00 0.00 O ATOM 619 CB ALA A 42 -12.894 -2.618 0.046 1.00 0.00 C ATOM 0 H ALA A 42 -12.404 -1.633 2.294 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.217 -3.659 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.141 -3.258 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.512 -1.721 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.842 -2.336 -0.007 1.00 0.00 H new ATOM 625 N ILE A 43 -11.072 -4.548 1.904 1.00 0.00 N ATOM 626 CA ILE A 43 -10.155 -5.698 2.032 1.00 0.00 C ATOM 627 C ILE A 43 -10.284 -6.235 3.479 1.00 0.00 C ATOM 628 O ILE A 43 -9.985 -5.520 4.449 1.00 0.00 O ATOM 629 CB ILE A 43 -8.657 -5.250 1.744 1.00 0.00 C ATOM 630 CG1 ILE A 43 -8.569 -4.324 0.422 1.00 0.00 C ATOM 631 CG2 ILE A 43 -7.706 -6.520 1.605 1.00 0.00 C ATOM 632 CD1 ILE A 43 -9.209 -4.977 -0.839 1.00 0.00 C ATOM 0 H ILE A 43 -10.671 -3.659 2.204 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.413 -6.472 1.309 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.316 -4.657 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.065 -3.374 0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.523 -4.100 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.686 -6.191 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.729 -7.095 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.051 -7.144 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.113 -4.300 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.698 -5.913 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.264 -5.175 -0.650 1.00 0.00 H new ATOM 644 N GLU A 44 -10.749 -7.500 3.593 1.00 0.00 N ATOM 645 CA GLU A 44 -10.953 -8.186 4.883 1.00 0.00 C ATOM 646 C GLU A 44 -9.586 -8.525 5.544 1.00 0.00 C ATOM 647 O GLU A 44 -9.406 -8.362 6.763 1.00 0.00 O ATOM 648 CB GLU A 44 -11.767 -9.519 4.595 1.00 0.00 C ATOM 649 CG GLU A 44 -13.243 -9.190 4.081 1.00 0.00 C ATOM 650 CD GLU A 44 -14.049 -10.480 3.745 1.00 0.00 C ATOM 651 OE1 GLU A 44 -13.521 -11.575 3.924 1.00 0.00 O ATOM 652 OE2 GLU A 44 -15.184 -10.343 3.314 1.00 0.00 O ATOM 0 H GLU A 44 -10.994 -8.074 2.786 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.502 -7.542 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.243 -10.115 3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.820 -10.120 5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.773 -8.620 4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.185 -8.558 3.195 1.00 0.00 H new ATOM 659 N LYS A 45 -8.633 -9.030 4.699 1.00 0.00 N ATOM 660 CA LYS A 45 -7.273 -9.449 5.154 1.00 0.00 C ATOM 661 C LYS A 45 -6.280 -8.280 5.032 1.00 0.00 C ATOM 662 O LYS A 45 -5.853 -7.915 3.930 1.00 0.00 O ATOM 663 CB LYS A 45 -6.775 -10.664 4.263 1.00 0.00 C ATOM 664 CG LYS A 45 -7.711 -11.934 4.466 1.00 0.00 C ATOM 665 CD LYS A 45 -7.200 -13.172 3.596 1.00 0.00 C ATOM 666 CE LYS A 45 -8.123 -14.427 3.821 1.00 0.00 C ATOM 667 NZ LYS A 45 -9.504 -14.089 3.378 1.00 0.00 N ATOM 0 H LYS A 45 -8.786 -9.155 3.698 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.327 -9.753 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.772 -10.373 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.748 -10.917 4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.730 -12.210 5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.734 -11.685 4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.194 -12.903 2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.173 -13.416 3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.744 -15.281 3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.123 -14.713 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.055 -14.963 3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.959 -13.484 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.463 -13.583 2.470 1.00 0.00 H new ATOM 681 N MET A 46 -5.901 -7.719 6.190 1.00 0.00 N ATOM 682 CA MET A 46 -4.936 -6.611 6.267 1.00 0.00 C ATOM 683 C MET A 46 -3.508 -7.120 5.960 1.00 0.00 C ATOM 684 O MET A 46 -2.584 -6.327 5.766 1.00 0.00 O ATOM 685 CB MET A 46 -5.026 -5.990 7.712 1.00 0.00 C ATOM 686 CG MET A 46 -6.444 -5.308 7.929 1.00 0.00 C ATOM 687 SD MET A 46 -6.544 -4.595 9.606 1.00 0.00 S ATOM 688 CE MET A 46 -8.303 -4.120 9.585 1.00 0.00 C ATOM 0 H MET A 46 -6.254 -8.020 7.098 1.00 0.00 H new ATOM 0 HA MET A 46 -5.170 -5.846 5.526 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.870 -6.767 8.460 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.235 -5.253 7.849 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.599 -4.528 7.184 1.00 0.00 H new ATOM 0 HG3 MET A 46 -7.236 -6.044 7.790 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.558 -3.626 10.523 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.486 -3.438 8.755 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.919 -5.011 9.465 1.00 0.00 H new ATOM 698 N LYS A 47 -3.351 -8.468 5.918 1.00 0.00 N ATOM 699 CA LYS A 47 -2.042 -9.115 5.630 1.00 0.00 C ATOM 700 C LYS A 47 -1.603 -8.800 4.183 1.00 0.00 C ATOM 701 O LYS A 47 -0.423 -8.516 3.921 1.00 0.00 O ATOM 702 CB LYS A 47 -2.169 -10.675 5.831 1.00 0.00 C ATOM 703 CG LYS A 47 -2.451 -11.022 7.356 1.00 0.00 C ATOM 704 CD LYS A 47 -2.569 -12.597 7.575 1.00 0.00 C ATOM 705 CE LYS A 47 -2.808 -12.925 9.095 1.00 0.00 C ATOM 706 NZ LYS A 47 -4.086 -12.295 9.528 1.00 0.00 N ATOM 0 H LYS A 47 -4.112 -9.128 6.079 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.290 -8.725 6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.976 -11.063 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.252 -11.165 5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.648 -10.625 7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.373 -10.537 7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.391 -12.993 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.659 -13.087 7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.849 -14.004 9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.980 -12.550 9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.376 -12.692 10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.952 -11.268 9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.824 -12.485 8.820 1.00 0.00 H new ATOM 720 N ASP A 48 -2.586 -8.849 3.252 1.00 0.00 N ATOM 721 CA ASP A 48 -2.339 -8.574 1.810 1.00 0.00 C ATOM 722 C ASP A 48 -1.926 -7.101 1.614 1.00 0.00 C ATOM 723 O ASP A 48 -1.109 -6.783 0.735 1.00 0.00 O ATOM 724 CB ASP A 48 -3.624 -8.904 0.967 1.00 0.00 C ATOM 725 CG ASP A 48 -3.316 -8.859 -0.553 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.564 -9.702 -1.004 1.00 0.00 O ATOM 727 OD2 ASP A 48 -3.834 -7.974 -1.229 1.00 0.00 O ATOM 0 H ASP A 48 -3.556 -9.076 3.470 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.525 -9.211 1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.997 -9.892 1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.412 -8.189 1.204 1.00 0.00 H new ATOM 732 N ARG A 49 -2.512 -6.207 2.446 1.00 0.00 N ATOM 733 CA ARG A 49 -2.217 -4.758 2.373 1.00 0.00 C ATOM 734 C ARG A 49 -0.730 -4.517 2.753 1.00 0.00 C ATOM 735 O ARG A 49 -0.028 -3.722 2.114 1.00 0.00 O ATOM 736 CB ARG A 49 -3.119 -3.971 3.385 1.00 0.00 C ATOM 737 CG ARG A 49 -4.660 -4.163 3.070 1.00 0.00 C ATOM 738 CD ARG A 49 -5.540 -3.339 4.104 1.00 0.00 C ATOM 739 NE ARG A 49 -5.465 -1.899 3.748 1.00 0.00 N ATOM 740 CZ ARG A 49 -6.245 -1.335 2.806 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.150 -2.042 2.154 1.00 0.00 N ATOM 742 NH2 ARG A 49 -6.096 -0.079 2.525 1.00 0.00 N ATOM 0 H ARG A 49 -3.185 -6.462 3.169 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.414 -4.411 1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.910 -4.311 4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.869 -2.911 3.347 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.875 -3.832 2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.920 -5.220 3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.574 -3.682 4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.177 -3.497 5.120 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.792 -1.310 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.268 -3.034 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.731 -1.596 1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.393 0.473 3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.682 0.357 1.813 1.00 0.00 H new ATOM 756 N GLU A 50 -0.274 -5.242 3.832 1.00 0.00 N ATOM 757 CA GLU A 50 1.129 -5.126 4.327 1.00 0.00 C ATOM 758 C GLU A 50 2.105 -5.663 3.247 1.00 0.00 C ATOM 759 O GLU A 50 3.148 -5.058 2.971 1.00 0.00 O ATOM 760 CB GLU A 50 1.312 -5.941 5.681 1.00 0.00 C ATOM 761 CG GLU A 50 2.771 -5.700 6.307 1.00 0.00 C ATOM 762 CD GLU A 50 2.965 -6.492 7.624 1.00 0.00 C ATOM 763 OE1 GLU A 50 3.224 -7.684 7.545 1.00 0.00 O ATOM 764 OE2 GLU A 50 2.864 -5.889 8.685 1.00 0.00 O ATOM 0 H GLU A 50 -0.851 -5.897 4.359 1.00 0.00 H new ATOM 0 HA GLU A 50 1.349 -4.077 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.550 -5.636 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.165 -7.004 5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.531 -6.001 5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.915 -4.636 6.497 1.00 0.00 H new ATOM 771 N ALA A 51 1.749 -6.831 2.652 1.00 0.00 N ATOM 772 CA ALA A 51 2.585 -7.473 1.609 1.00 0.00 C ATOM 773 C ALA A 51 2.780 -6.516 0.420 1.00 0.00 C ATOM 774 O ALA A 51 3.902 -6.302 -0.045 1.00 0.00 O ATOM 775 CB ALA A 51 1.870 -8.783 1.107 1.00 0.00 C ATOM 0 H ALA A 51 0.895 -7.342 2.876 1.00 0.00 H new ATOM 0 HA ALA A 51 3.559 -7.717 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.480 -9.259 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.738 -9.469 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.896 -8.529 0.690 1.00 0.00 H new ATOM 781 N LEU A 52 1.650 -5.950 -0.063 1.00 0.00 N ATOM 782 CA LEU A 52 1.658 -5.019 -1.215 1.00 0.00 C ATOM 783 C LEU A 52 2.465 -3.746 -0.884 1.00 0.00 C ATOM 784 O LEU A 52 3.230 -3.244 -1.711 1.00 0.00 O ATOM 785 CB LEU A 52 0.194 -4.625 -1.624 1.00 0.00 C ATOM 786 CG LEU A 52 0.152 -4.066 -3.143 1.00 0.00 C ATOM 787 CD1 LEU A 52 0.021 -5.253 -4.184 1.00 0.00 C ATOM 788 CD2 LEU A 52 -1.020 -3.051 -3.325 1.00 0.00 C ATOM 0 H LEU A 52 0.723 -6.121 0.326 1.00 0.00 H new ATOM 0 HA LEU A 52 2.133 -5.531 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.460 -5.492 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.187 -3.865 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 52 1.092 -3.549 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.005 -4.848 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.876 -5.922 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.898 -5.806 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.030 -2.688 -4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.967 -3.545 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.883 -2.211 -2.644 1.00 0.00 H new ATOM 800 N PHE A 53 2.259 -3.238 0.345 1.00 0.00 N ATOM 801 CA PHE A 53 2.949 -2.019 0.836 1.00 0.00 C ATOM 802 C PHE A 53 4.487 -2.214 0.787 1.00 0.00 C ATOM 803 O PHE A 53 5.221 -1.338 0.319 1.00 0.00 O ATOM 804 CB PHE A 53 2.489 -1.733 2.312 1.00 0.00 C ATOM 805 CG PHE A 53 3.410 -0.634 2.951 1.00 0.00 C ATOM 806 CD1 PHE A 53 3.240 0.725 2.612 1.00 0.00 C ATOM 807 CD2 PHE A 53 4.477 -1.008 3.834 1.00 0.00 C ATOM 808 CE1 PHE A 53 4.112 1.691 3.136 1.00 0.00 C ATOM 809 CE2 PHE A 53 5.326 -0.030 4.358 1.00 0.00 C ATOM 810 CZ PHE A 53 5.145 1.313 4.011 1.00 0.00 C ATOM 0 H PHE A 53 1.618 -3.651 1.023 1.00 0.00 H new ATOM 0 HA PHE A 53 2.690 -1.173 0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.451 -1.401 2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.537 -2.649 2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.440 1.021 1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.624 -2.046 4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.989 2.729 2.866 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.122 -0.311 5.031 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.804 2.065 4.419 1.00 0.00 H new ATOM 820 N ASN A 54 4.954 -3.374 1.284 1.00 0.00 N ATOM 821 CA ASN A 54 6.411 -3.691 1.317 1.00 0.00 C ATOM 822 C ASN A 54 6.971 -3.735 -0.134 1.00 0.00 C ATOM 823 O ASN A 54 8.066 -3.215 -0.411 1.00 0.00 O ATOM 824 CB ASN A 54 6.619 -5.087 2.013 1.00 0.00 C ATOM 825 CG ASN A 54 6.245 -5.036 3.518 1.00 0.00 C ATOM 826 OD1 ASN A 54 6.456 -4.020 4.186 1.00 0.00 O ATOM 827 ND2 ASN A 54 5.701 -6.083 4.082 1.00 0.00 N ATOM 0 H ASN A 54 4.357 -4.107 1.667 1.00 0.00 H new ATOM 0 HA ASN A 54 6.942 -2.922 1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.010 -5.839 1.511 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.659 -5.396 1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.453 -6.058 5.071 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.525 -6.924 3.533 1.00 0.00 H new ATOM 834 N GLU A 55 6.175 -4.349 -1.055 1.00 0.00 N ATOM 835 CA GLU A 55 6.545 -4.460 -2.494 1.00 0.00 C ATOM 836 C GLU A 55 6.501 -3.078 -3.164 1.00 0.00 C ATOM 837 O GLU A 55 7.350 -2.764 -3.997 1.00 0.00 O ATOM 838 CB GLU A 55 5.554 -5.442 -3.241 1.00 0.00 C ATOM 839 CG GLU A 55 5.745 -6.939 -2.747 1.00 0.00 C ATOM 840 CD GLU A 55 4.717 -7.903 -3.402 1.00 0.00 C ATOM 841 OE1 GLU A 55 3.937 -7.461 -4.243 1.00 0.00 O ATOM 842 OE2 GLU A 55 4.735 -9.071 -3.050 1.00 0.00 O ATOM 0 H GLU A 55 5.276 -4.773 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 55 7.558 -4.857 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.525 -5.127 -3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.725 -5.387 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.756 -7.272 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.640 -6.979 -1.663 1.00 0.00 H new ATOM 849 N PHE A 56 5.471 -2.263 -2.807 1.00 0.00 N ATOM 850 CA PHE A 56 5.288 -0.922 -3.409 1.00 0.00 C ATOM 851 C PHE A 56 6.508 -0.012 -3.101 1.00 0.00 C ATOM 852 O PHE A 56 7.061 0.613 -4.002 1.00 0.00 O ATOM 853 CB PHE A 56 3.974 -0.269 -2.835 1.00 0.00 C ATOM 854 CG PHE A 56 3.778 1.149 -3.488 1.00 0.00 C ATOM 855 CD1 PHE A 56 3.278 1.249 -4.809 1.00 0.00 C ATOM 856 CD2 PHE A 56 4.159 2.338 -2.791 1.00 0.00 C ATOM 857 CE1 PHE A 56 3.159 2.507 -5.424 1.00 0.00 C ATOM 858 CE2 PHE A 56 4.025 3.590 -3.413 1.00 0.00 C ATOM 859 CZ PHE A 56 3.530 3.675 -4.727 1.00 0.00 C ATOM 0 H PHE A 56 4.765 -2.511 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 56 5.204 -1.028 -4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.114 -0.904 -3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.042 -0.178 -1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.988 0.357 -5.345 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.550 2.273 -1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.782 2.579 -6.434 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.302 4.489 -2.882 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.434 4.639 -5.204 1.00 0.00 H new ATOM 869 N VAL A 57 6.913 0.035 -1.805 1.00 0.00 N ATOM 870 CA VAL A 57 8.079 0.862 -1.360 1.00 0.00 C ATOM 871 C VAL A 57 9.377 0.331 -2.011 1.00 0.00 C ATOM 872 O VAL A 57 10.203 1.112 -2.505 1.00 0.00 O ATOM 873 CB VAL A 57 8.194 0.798 0.232 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.546 1.485 0.761 1.00 0.00 C ATOM 875 CG2 VAL A 57 6.939 1.519 0.894 1.00 0.00 C ATOM 0 H VAL A 57 6.458 -0.482 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 57 7.932 1.897 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 57 8.215 -0.253 0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.586 1.420 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.407 0.969 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.564 2.532 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.023 1.472 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.909 2.562 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.024 1.018 0.579 1.00 0.00 H new ATOM 885 N ALA A 58 9.546 -1.019 -1.991 1.00 0.00 N ATOM 886 CA ALA A 58 10.750 -1.671 -2.563 1.00 0.00 C ATOM 887 C ALA A 58 10.810 -1.450 -4.100 1.00 0.00 C ATOM 888 O ALA A 58 11.876 -1.190 -4.652 1.00 0.00 O ATOM 889 CB ALA A 58 10.724 -3.204 -2.220 1.00 0.00 C ATOM 0 H ALA A 58 8.870 -1.668 -1.589 1.00 0.00 H new ATOM 0 HA ALA A 58 11.644 -1.225 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.607 -3.686 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.718 -3.335 -1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.828 -3.657 -2.645 1.00 0.00 H new ATOM 895 N ALA A 59 9.631 -1.548 -4.770 1.00 0.00 N ATOM 896 CA ALA A 59 9.523 -1.346 -6.244 1.00 0.00 C ATOM 897 C ALA A 59 9.660 0.159 -6.621 1.00 0.00 C ATOM 898 O ALA A 59 10.309 0.505 -7.616 1.00 0.00 O ATOM 899 CB ALA A 59 8.134 -1.897 -6.726 1.00 0.00 C ATOM 0 H ALA A 59 8.744 -1.765 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 59 10.334 -1.883 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.040 -1.756 -7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.063 -2.959 -6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.333 -1.359 -6.219 1.00 0.00 H new ATOM 905 N ALA A 60 9.002 1.046 -5.814 1.00 0.00 N ATOM 906 CA ALA A 60 9.011 2.521 -6.063 1.00 0.00 C ATOM 907 C ALA A 60 10.431 3.099 -5.887 1.00 0.00 C ATOM 908 O ALA A 60 10.852 3.994 -6.641 1.00 0.00 O ATOM 909 CB ALA A 60 8.025 3.228 -5.057 1.00 0.00 C ATOM 0 H ALA A 60 8.464 0.768 -4.993 1.00 0.00 H new ATOM 0 HA ALA A 60 8.689 2.703 -7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.030 4.303 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.017 2.841 -5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.345 3.030 -4.034 1.00 0.00 H new ATOM 915 N ARG A 61 11.153 2.591 -4.856 1.00 0.00 N ATOM 916 CA ARG A 61 12.528 3.067 -4.541 1.00 0.00 C ATOM 917 C ARG A 61 13.536 2.606 -5.638 1.00 0.00 C ATOM 918 O ARG A 61 14.408 3.374 -6.074 1.00 0.00 O ATOM 919 CB ARG A 61 12.946 2.530 -3.107 1.00 0.00 C ATOM 920 CG ARG A 61 14.376 3.079 -2.679 1.00 0.00 C ATOM 921 CD ARG A 61 14.794 2.600 -1.243 1.00 0.00 C ATOM 922 NE ARG A 61 16.133 3.172 -0.922 1.00 0.00 N ATOM 923 CZ ARG A 61 16.310 4.476 -0.550 1.00 0.00 C ATOM 924 NH1 ARG A 61 15.284 5.301 -0.470 1.00 0.00 N ATOM 925 NH2 ARG A 61 17.506 4.919 -0.301 1.00 0.00 N ATOM 0 H ARG A 61 10.812 1.859 -4.233 1.00 0.00 H new ATOM 0 HA ARG A 61 12.544 4.157 -4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.202 2.835 -2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.960 1.440 -3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.121 2.747 -3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.368 4.169 -2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.058 2.924 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.828 1.511 -1.202 1.00 0.00 H new ATOM 0 HE ARG A 61 16.951 2.566 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.344 4.969 -0.687 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.430 6.271 -0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.308 4.295 -0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.642 5.891 -0.023 1.00 0.00 H new TER 939 ARG A 61