USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 390 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 28 MET CE :methyl 173:sc= -0.0819 (180deg=-0.119) USER MOD Set 1.2: A 45 CYS SG : rot 76:sc= 0.867 USER MOD Single : A 4 THR OG1 : rot -170:sc= -0.99 USER MOD Single : A 5 LYS NZ :NH3+ 132:sc= 1.27 (180deg=-0.536) USER MOD Single : A 7 MET CE :methyl 180:sc= -0.0422 (180deg=-0.0422) USER MOD Single : A 14 GLN : amide:sc= -0.201 K(o=-0.2,f=-13!) USER MOD Single : A 15 MET CE :methyl -156:sc= 0 (180deg=-0.024) USER MOD Single : A 19 THR OG1 : rot -76:sc= -0.0382 USER MOD Single : A 25 ASN : amide:sc= 0.755 K(o=0.75,f=-0.16) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.333 F(o=-0.93,f=-0.33) USER MOD Single : A 40 SER OG : rot 180:sc= -0.422 USER MOD Single : A 48 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= 1.63 (180deg=0.714) USER MOD Single : A 60 ASN : amide:sc= 0.0902 K(o=0.09,f=-0.85!) USER MOD Single : A 62 TYR OH : rot 15:sc= -1.2 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 3 9.708 -1.440 2.602 1.00 1.23 N ATOM 43 CA ILE A 3 8.418 -2.136 2.525 1.00 22.41 C ATOM 44 C ILE A 3 8.512 -3.525 1.870 1.00 42.23 C ATOM 45 O ILE A 3 9.239 -3.726 0.893 1.00 12.32 O ATOM 46 CB ILE A 3 7.382 -1.281 1.749 1.00 72.23 C ATOM 47 CG1 ILE A 3 7.229 0.103 2.400 1.00 71.01 C ATOM 48 CG2 ILE A 3 6.031 -1.990 1.672 1.00 34.13 C ATOM 49 CD1 ILE A 3 6.740 0.060 3.836 1.00 2.04 C ATOM 0 HA ILE A 3 8.097 -2.281 3.556 1.00 22.41 H new ATOM 0 HB ILE A 3 7.750 -1.147 0.732 1.00 72.23 H new ATOM 0 HG12 ILE A 3 8.191 0.615 2.370 1.00 71.01 H new ATOM 0 HG13 ILE A 3 6.533 0.697 1.808 1.00 71.01 H new ATOM 0 HG21 ILE A 3 5.324 -1.368 1.123 1.00 34.13 H new ATOM 0 HG22 ILE A 3 6.150 -2.944 1.159 1.00 34.13 H new ATOM 0 HG23 ILE A 3 5.654 -2.165 2.680 1.00 34.13 H new ATOM 0 HD11 ILE A 3 6.658 1.076 4.223 1.00 2.04 H new ATOM 0 HD12 ILE A 3 5.763 -0.422 3.873 1.00 2.04 H new ATOM 0 HD13 ILE A 3 7.447 -0.504 4.444 1.00 2.04 H new ATOM 61 N THR A 4 7.768 -4.479 2.427 1.00 34.40 N ATOM 62 CA THR A 4 7.606 -5.813 1.832 1.00 21.45 C ATOM 63 C THR A 4 6.125 -6.100 1.567 1.00 13.41 C ATOM 64 O THR A 4 5.250 -5.472 2.162 1.00 74.31 O ATOM 65 CB THR A 4 8.145 -6.937 2.752 1.00 11.33 C ATOM 66 OG1 THR A 4 7.370 -7.002 3.960 1.00 73.30 O ATOM 67 CG2 THR A 4 9.611 -6.715 3.096 1.00 42.43 C ATOM 0 H THR A 4 7.259 -4.354 3.302 1.00 34.40 H new ATOM 0 HA THR A 4 8.178 -5.807 0.904 1.00 21.45 H new ATOM 0 HB THR A 4 8.058 -7.880 2.212 1.00 11.33 H new ATOM 0 HG1 THR A 4 7.809 -7.601 4.599 1.00 73.30 H new ATOM 0 HG21 THR A 4 9.959 -7.521 3.743 1.00 42.43 H new ATOM 0 HG22 THR A 4 10.202 -6.704 2.180 1.00 42.43 H new ATOM 0 HG23 THR A 4 9.723 -5.761 3.612 1.00 42.43 H new ATOM 75 N LYS A 5 5.839 -7.058 0.689 1.00 42.42 N ATOM 76 CA LYS A 5 4.452 -7.460 0.415 1.00 64.14 C ATOM 77 C LYS A 5 3.808 -8.123 1.644 1.00 61.24 C ATOM 78 O LYS A 5 2.585 -8.250 1.728 1.00 3.33 O ATOM 79 CB LYS A 5 4.430 -8.419 -0.774 1.00 5.41 C ATOM 80 CG LYS A 5 5.348 -9.613 -0.576 1.00 72.13 C ATOM 81 CD LYS A 5 5.378 -10.530 -1.788 1.00 10.43 C ATOM 82 CE LYS A 5 6.424 -11.617 -1.608 1.00 4.44 C ATOM 83 NZ LYS A 5 6.128 -12.492 -0.439 1.00 31.13 N ATOM 0 H LYS A 5 6.541 -7.571 0.155 1.00 42.42 H new ATOM 0 HA LYS A 5 3.872 -6.568 0.179 1.00 64.14 H new ATOM 0 HB2 LYS A 5 3.411 -8.771 -0.934 1.00 5.41 H new ATOM 0 HB3 LYS A 5 4.727 -7.882 -1.675 1.00 5.41 H new ATOM 0 HG2 LYS A 5 6.358 -9.260 -0.366 1.00 72.13 H new ATOM 0 HG3 LYS A 5 5.020 -10.179 0.296 1.00 72.13 H new ATOM 0 HD2 LYS A 5 4.397 -10.982 -1.934 1.00 10.43 H new ATOM 0 HD3 LYS A 5 5.598 -9.950 -2.684 1.00 10.43 H new ATOM 0 HE2 LYS A 5 6.474 -12.225 -2.512 1.00 4.44 H new ATOM 0 HE3 LYS A 5 7.404 -11.158 -1.478 1.00 4.44 H new ATOM 0 HZ1 LYS A 5 6.213 -13.489 -0.722 1.00 31.13 H new ATOM 0 HZ2 LYS A 5 6.803 -12.290 0.326 1.00 31.13 H new ATOM 0 HZ3 LYS A 5 5.161 -12.308 -0.104 1.00 31.13 H new ATOM 97 N ASP A 6 4.652 -8.534 2.589 1.00 24.22 N ATOM 98 CA ASP A 6 4.208 -9.180 3.827 1.00 53.13 C ATOM 99 C ASP A 6 3.648 -8.156 4.834 1.00 75.05 C ATOM 100 O ASP A 6 2.914 -8.514 5.757 1.00 21.21 O ATOM 101 CB ASP A 6 5.389 -9.943 4.442 1.00 53.12 C ATOM 102 CG ASP A 6 5.037 -10.651 5.738 1.00 22.23 C ATOM 103 OD1 ASP A 6 4.207 -11.581 5.704 1.00 1.31 O ATOM 104 OD2 ASP A 6 5.612 -10.301 6.792 1.00 34.32 O ATOM 0 H ASP A 6 5.664 -8.429 2.520 1.00 24.22 H new ATOM 0 HA ASP A 6 3.400 -9.872 3.589 1.00 53.13 H new ATOM 0 HB2 ASP A 6 5.753 -10.677 3.723 1.00 53.12 H new ATOM 0 HB3 ASP A 6 6.206 -9.246 4.627 1.00 53.12 H new ATOM 109 N MET A 7 4.000 -6.885 4.652 1.00 12.22 N ATOM 110 CA MET A 7 3.524 -5.817 5.538 1.00 5.30 C ATOM 111 C MET A 7 2.016 -5.560 5.369 1.00 43.02 C ATOM 112 O MET A 7 1.441 -5.816 4.310 1.00 21.35 O ATOM 113 CB MET A 7 4.318 -4.529 5.281 1.00 65.33 C ATOM 114 CG MET A 7 5.788 -4.634 5.662 1.00 60.31 C ATOM 115 SD MET A 7 6.712 -3.131 5.297 1.00 53.44 S ATOM 116 CE MET A 7 8.313 -3.543 5.992 1.00 45.25 C ATOM 0 H MET A 7 4.612 -6.567 3.901 1.00 12.22 H new ATOM 0 HA MET A 7 3.685 -6.142 6.566 1.00 5.30 H new ATOM 0 HB2 MET A 7 4.242 -4.270 4.225 1.00 65.33 H new ATOM 0 HB3 MET A 7 3.863 -3.713 5.843 1.00 65.33 H new ATOM 0 HG2 MET A 7 5.868 -4.855 6.726 1.00 60.31 H new ATOM 0 HG3 MET A 7 6.238 -5.471 5.128 1.00 60.31 H new ATOM 0 HE1 MET A 7 8.999 -2.709 5.845 1.00 45.25 H new ATOM 0 HE2 MET A 7 8.206 -3.742 7.058 1.00 45.25 H new ATOM 0 HE3 MET A 7 8.708 -4.429 5.496 1.00 45.25 H new ATOM 126 N ILE A 8 1.382 -5.050 6.420 1.00 41.54 N ATOM 127 CA ILE A 8 -0.062 -4.795 6.412 1.00 1.12 C ATOM 128 C ILE A 8 -0.382 -3.420 5.799 1.00 44.34 C ATOM 129 O ILE A 8 0.193 -2.407 6.200 1.00 35.32 O ATOM 130 CB ILE A 8 -0.645 -4.858 7.846 1.00 33.12 C ATOM 131 CG1 ILE A 8 -0.256 -6.178 8.539 1.00 54.51 C ATOM 132 CG2 ILE A 8 -2.164 -4.690 7.814 1.00 3.13 C ATOM 133 CD1 ILE A 8 -0.775 -7.422 7.846 1.00 23.41 C ATOM 0 H ILE A 8 1.845 -4.803 7.295 1.00 41.54 H new ATOM 0 HA ILE A 8 -0.521 -5.573 5.802 1.00 1.12 H new ATOM 0 HB ILE A 8 -0.221 -4.037 8.424 1.00 33.12 H new ATOM 0 HG12 ILE A 8 0.831 -6.237 8.600 1.00 54.51 H new ATOM 0 HG13 ILE A 8 -0.632 -6.162 9.562 1.00 54.51 H new ATOM 0 HG21 ILE A 8 -2.557 -4.737 8.830 1.00 3.13 H new ATOM 0 HG22 ILE A 8 -2.414 -3.725 7.372 1.00 3.13 H new ATOM 0 HG23 ILE A 8 -2.606 -5.488 7.217 1.00 3.13 H new ATOM 0 HD11 ILE A 8 -0.456 -8.306 8.398 1.00 23.41 H new ATOM 0 HD12 ILE A 8 -1.864 -7.390 7.809 1.00 23.41 H new ATOM 0 HD13 ILE A 8 -0.378 -7.466 6.832 1.00 23.41 H new ATOM 145 N ILE A 9 -1.317 -3.389 4.847 1.00 30.45 N ATOM 146 CA ILE A 9 -1.682 -2.143 4.148 1.00 33.41 C ATOM 147 C ILE A 9 -1.994 -0.991 5.122 1.00 65.52 C ATOM 148 O ILE A 9 -1.413 0.091 5.025 1.00 5.34 O ATOM 149 CB ILE A 9 -2.902 -2.357 3.212 1.00 33.54 C ATOM 150 CG1 ILE A 9 -2.584 -3.423 2.148 1.00 13.40 C ATOM 151 CG2 ILE A 9 -3.321 -1.038 2.553 1.00 74.55 C ATOM 152 CD1 ILE A 9 -3.720 -3.672 1.177 1.00 21.10 C ATOM 0 H ILE A 9 -1.838 -4.210 4.538 1.00 30.45 H new ATOM 0 HA ILE A 9 -0.810 -1.866 3.555 1.00 33.41 H new ATOM 0 HB ILE A 9 -3.738 -2.713 3.814 1.00 33.54 H new ATOM 0 HG12 ILE A 9 -1.701 -3.113 1.589 1.00 13.40 H new ATOM 0 HG13 ILE A 9 -2.333 -4.359 2.648 1.00 13.40 H new ATOM 0 HG21 ILE A 9 -4.177 -1.213 1.902 1.00 74.55 H new ATOM 0 HG22 ILE A 9 -3.592 -0.316 3.324 1.00 74.55 H new ATOM 0 HG23 ILE A 9 -2.492 -0.646 1.964 1.00 74.55 H new ATOM 0 HD11 ILE A 9 -3.423 -4.435 0.457 1.00 21.10 H new ATOM 0 HD12 ILE A 9 -4.599 -4.013 1.725 1.00 21.10 H new ATOM 0 HD13 ILE A 9 -3.957 -2.748 0.649 1.00 21.10 H new ATOM 164 N ALA A 10 -2.907 -1.230 6.065 1.00 54.41 N ATOM 165 CA ALA A 10 -3.293 -0.203 7.042 1.00 51.44 C ATOM 166 C ALA A 10 -2.101 0.257 7.897 1.00 14.34 C ATOM 167 O ALA A 10 -2.020 1.421 8.291 1.00 64.24 O ATOM 168 CB ALA A 10 -4.415 -0.717 7.931 1.00 2.21 C ATOM 0 H ALA A 10 -3.392 -2.120 6.175 1.00 54.41 H new ATOM 0 HA ALA A 10 -3.646 0.664 6.483 1.00 51.44 H new ATOM 0 HB1 ALA A 10 -4.691 0.054 8.650 1.00 2.21 H new ATOM 0 HB2 ALA A 10 -5.280 -0.967 7.317 1.00 2.21 H new ATOM 0 HB3 ALA A 10 -4.079 -1.607 8.464 1.00 2.21 H new ATOM 174 N ASP A 11 -1.177 -0.662 8.171 1.00 31.23 N ATOM 175 CA ASP A 11 0.029 -0.349 8.941 1.00 31.01 C ATOM 176 C ASP A 11 0.976 0.554 8.126 1.00 61.03 C ATOM 177 O ASP A 11 1.574 1.493 8.661 1.00 43.41 O ATOM 178 CB ASP A 11 0.734 -1.647 9.353 1.00 4.24 C ATOM 179 CG ASP A 11 1.895 -1.406 10.303 1.00 71.04 C ATOM 180 OD1 ASP A 11 1.674 -1.405 11.532 1.00 41.14 O ATOM 181 OD2 ASP A 11 3.032 -1.217 9.828 1.00 40.43 O ATOM 0 H ASP A 11 -1.240 -1.635 7.870 1.00 31.23 H new ATOM 0 HA ASP A 11 -0.258 0.194 9.841 1.00 31.01 H new ATOM 0 HB2 ASP A 11 0.013 -2.313 9.828 1.00 4.24 H new ATOM 0 HB3 ASP A 11 1.099 -2.157 8.461 1.00 4.24 H new ATOM 186 N VAL A 12 1.100 0.272 6.826 1.00 55.11 N ATOM 187 CA VAL A 12 1.864 1.134 5.917 1.00 52.41 C ATOM 188 C VAL A 12 1.261 2.550 5.879 1.00 24.41 C ATOM 189 O VAL A 12 1.981 3.553 5.871 1.00 33.43 O ATOM 190 CB VAL A 12 1.901 0.548 4.483 1.00 14.41 C ATOM 191 CG1 VAL A 12 2.698 1.450 3.542 1.00 12.14 C ATOM 192 CG2 VAL A 12 2.480 -0.867 4.497 1.00 14.42 C ATOM 0 H VAL A 12 0.683 -0.544 6.379 1.00 55.11 H new ATOM 0 HA VAL A 12 2.884 1.187 6.297 1.00 52.41 H new ATOM 0 HB VAL A 12 0.878 0.498 4.111 1.00 14.41 H new ATOM 0 HG11 VAL A 12 2.708 1.015 2.543 1.00 12.14 H new ATOM 0 HG12 VAL A 12 2.235 2.436 3.504 1.00 12.14 H new ATOM 0 HG13 VAL A 12 3.721 1.543 3.907 1.00 12.14 H new ATOM 0 HG21 VAL A 12 2.498 -1.263 3.482 1.00 14.42 H new ATOM 0 HG22 VAL A 12 3.495 -0.841 4.895 1.00 14.42 H new ATOM 0 HG23 VAL A 12 1.860 -1.507 5.125 1.00 14.42 H new ATOM 202 N LEU A 13 -0.074 2.618 5.881 1.00 34.21 N ATOM 203 CA LEU A 13 -0.791 3.898 5.954 1.00 32.23 C ATOM 204 C LEU A 13 -0.441 4.665 7.242 1.00 72.31 C ATOM 205 O LEU A 13 -0.424 5.898 7.257 1.00 11.25 O ATOM 206 CB LEU A 13 -2.310 3.667 5.880 1.00 33.54 C ATOM 207 CG LEU A 13 -2.816 3.026 4.577 1.00 13.21 C ATOM 208 CD1 LEU A 13 -4.319 2.759 4.652 1.00 63.21 C ATOM 209 CD2 LEU A 13 -2.483 3.910 3.376 1.00 34.14 C ATOM 0 H LEU A 13 -0.682 1.801 5.833 1.00 34.21 H new ATOM 0 HA LEU A 13 -0.477 4.501 5.102 1.00 32.23 H new ATOM 0 HB2 LEU A 13 -2.605 3.033 6.716 1.00 33.54 H new ATOM 0 HB3 LEU A 13 -2.813 4.625 6.013 1.00 33.54 H new ATOM 0 HG LEU A 13 -2.308 2.070 4.448 1.00 13.21 H new ATOM 0 HD11 LEU A 13 -4.655 2.305 3.719 1.00 63.21 H new ATOM 0 HD12 LEU A 13 -4.527 2.082 5.480 1.00 63.21 H new ATOM 0 HD13 LEU A 13 -4.848 3.699 4.810 1.00 63.21 H new ATOM 0 HD21 LEU A 13 -2.850 3.438 2.464 1.00 34.14 H new ATOM 0 HD22 LEU A 13 -2.959 4.883 3.498 1.00 34.14 H new ATOM 0 HD23 LEU A 13 -1.403 4.040 3.308 1.00 34.14 H new ATOM 221 N GLN A 14 -0.167 3.928 8.323 1.00 71.24 N ATOM 222 CA GLN A 14 0.251 4.540 9.591 1.00 20.41 C ATOM 223 C GLN A 14 1.636 5.195 9.473 1.00 41.24 C ATOM 224 O GLN A 14 1.918 6.198 10.131 1.00 14.23 O ATOM 225 CB GLN A 14 0.246 3.502 10.722 1.00 41.13 C ATOM 226 CG GLN A 14 -1.144 2.969 11.070 1.00 61.11 C ATOM 227 CD GLN A 14 -2.064 4.014 11.695 1.00 41.51 C ATOM 228 OE1 GLN A 14 -1.982 5.205 11.404 1.00 61.22 O ATOM 229 NE2 GLN A 14 -2.947 3.574 12.568 1.00 42.35 N ATOM 0 H GLN A 14 -0.226 2.910 8.347 1.00 71.24 H new ATOM 0 HA GLN A 14 -0.469 5.323 9.830 1.00 20.41 H new ATOM 0 HB2 GLN A 14 0.884 2.665 10.436 1.00 41.13 H new ATOM 0 HB3 GLN A 14 0.686 3.949 11.613 1.00 41.13 H new ATOM 0 HG2 GLN A 14 -1.612 2.581 10.165 1.00 61.11 H new ATOM 0 HG3 GLN A 14 -1.040 2.131 11.759 1.00 61.11 H new ATOM 0 HE21 GLN A 14 -2.993 2.580 12.790 1.00 42.35 H new ATOM 0 HE22 GLN A 14 -3.585 4.228 13.022 1.00 42.35 H new ATOM 238 N MET A 15 2.498 4.628 8.627 1.00 70.25 N ATOM 239 CA MET A 15 3.819 5.217 8.370 1.00 71.23 C ATOM 240 C MET A 15 3.657 6.570 7.667 1.00 73.11 C ATOM 241 O MET A 15 4.166 7.599 8.121 1.00 12.15 O ATOM 242 CB MET A 15 4.667 4.285 7.495 1.00 22.43 C ATOM 243 CG MET A 15 4.657 2.834 7.944 1.00 23.21 C ATOM 244 SD MET A 15 5.731 1.791 6.939 1.00 35.01 S ATOM 245 CE MET A 15 5.405 0.176 7.648 1.00 72.14 C ATOM 0 H MET A 15 2.310 3.769 8.111 1.00 70.25 H new ATOM 0 HA MET A 15 4.325 5.358 9.325 1.00 71.23 H new ATOM 0 HB2 MET A 15 4.305 4.339 6.468 1.00 22.43 H new ATOM 0 HB3 MET A 15 5.696 4.645 7.490 1.00 22.43 H new ATOM 0 HG2 MET A 15 4.973 2.778 8.986 1.00 23.21 H new ATOM 0 HG3 MET A 15 3.638 2.450 7.899 1.00 23.21 H new ATOM 0 HE1 MET A 15 6.253 -0.482 7.459 1.00 72.14 H new ATOM 0 HE2 MET A 15 5.254 0.274 8.723 1.00 72.14 H new ATOM 0 HE3 MET A 15 4.509 -0.247 7.193 1.00 72.14 H new ATOM 255 N ASP A 16 2.940 6.548 6.548 1.00 13.40 N ATOM 256 CA ASP A 16 2.593 7.770 5.818 1.00 34.23 C ATOM 257 C ASP A 16 1.257 7.593 5.069 1.00 31.01 C ATOM 258 O ASP A 16 1.121 6.697 4.232 1.00 12.42 O ATOM 259 CB ASP A 16 3.714 8.141 4.831 1.00 43.44 C ATOM 260 CG ASP A 16 3.605 9.571 4.305 1.00 55.21 C ATOM 261 OD1 ASP A 16 2.503 10.161 4.364 1.00 25.35 O ATOM 262 OD2 ASP A 16 4.624 10.116 3.832 1.00 62.34 O ATOM 0 H ASP A 16 2.584 5.692 6.122 1.00 13.40 H new ATOM 0 HA ASP A 16 2.480 8.580 6.538 1.00 34.23 H new ATOM 0 HB2 ASP A 16 4.679 8.014 5.323 1.00 43.44 H new ATOM 0 HB3 ASP A 16 3.692 7.449 3.989 1.00 43.44 H new ATOM 267 N ARG A 17 0.279 8.450 5.371 1.00 0.42 N ATOM 268 CA ARG A 17 -1.026 8.418 4.691 1.00 71.20 C ATOM 269 C ARG A 17 -0.883 8.645 3.176 1.00 60.13 C ATOM 270 O ARG A 17 -1.763 8.277 2.392 1.00 23.44 O ATOM 271 CB ARG A 17 -1.967 9.481 5.277 1.00 13.43 C ATOM 272 CG ARG A 17 -2.373 9.239 6.729 1.00 42.11 C ATOM 273 CD ARG A 17 -3.085 7.900 6.911 1.00 31.14 C ATOM 274 NE ARG A 17 -3.721 7.782 8.223 1.00 73.24 N ATOM 275 CZ ARG A 17 -3.162 7.245 9.274 1.00 24.05 C ATOM 276 NH1 ARG A 17 -1.942 6.822 9.230 1.00 32.20 N ATOM 277 NH2 ARG A 17 -3.824 7.145 10.376 1.00 42.24 N ATOM 0 H ARG A 17 0.362 9.177 6.082 1.00 0.42 H new ATOM 0 HA ARG A 17 -1.448 7.426 4.853 1.00 71.20 H new ATOM 0 HB2 ARG A 17 -1.483 10.455 5.206 1.00 13.43 H new ATOM 0 HB3 ARG A 17 -2.867 9.528 4.665 1.00 13.43 H new ATOM 0 HG2 ARG A 17 -1.486 9.267 7.362 1.00 42.11 H new ATOM 0 HG3 ARG A 17 -3.027 10.045 7.061 1.00 42.11 H new ATOM 0 HD2 ARG A 17 -3.839 7.784 6.133 1.00 31.14 H new ATOM 0 HD3 ARG A 17 -2.367 7.089 6.784 1.00 31.14 H new ATOM 0 HE ARG A 17 -4.669 8.145 8.324 1.00 73.24 H new ATOM 0 HH11 ARG A 17 -1.404 6.906 8.367 1.00 32.20 H new ATOM 0 HH12 ARG A 17 -1.517 6.404 10.058 1.00 32.20 H new ATOM 0 HH21 ARG A 17 -4.784 7.485 10.427 1.00 42.24 H new ATOM 0 HH22 ARG A 17 -3.387 6.726 11.197 1.00 42.24 H new ATOM 291 N GLY A 18 0.230 9.256 2.770 1.00 53.44 N ATOM 292 CA GLY A 18 0.487 9.512 1.357 1.00 73.35 C ATOM 293 C GLY A 18 0.727 8.243 0.537 1.00 73.45 C ATOM 294 O GLY A 18 0.904 8.308 -0.679 1.00 42.11 O ATOM 0 H GLY A 18 0.964 9.581 3.399 1.00 53.44 H new ATOM 0 HA2 GLY A 18 -0.360 10.052 0.935 1.00 73.35 H new ATOM 0 HA3 GLY A 18 1.357 10.162 1.267 1.00 73.35 H new ATOM 298 N THR A 19 0.744 7.089 1.200 1.00 1.02 N ATOM 299 CA THR A 19 0.869 5.798 0.510 1.00 41.22 C ATOM 300 C THR A 19 -0.485 5.309 -0.029 1.00 63.34 C ATOM 301 O THR A 19 -0.539 4.432 -0.893 1.00 50.23 O ATOM 302 CB THR A 19 1.456 4.710 1.440 1.00 53.04 C ATOM 303 OG1 THR A 19 0.609 4.528 2.584 1.00 75.42 O ATOM 304 CG2 THR A 19 2.865 5.078 1.895 1.00 3.05 C ATOM 0 H THR A 19 0.673 7.017 2.215 1.00 1.02 H new ATOM 0 HA THR A 19 1.549 5.963 -0.325 1.00 41.22 H new ATOM 0 HB THR A 19 1.509 3.778 0.877 1.00 53.04 H new ATOM 0 HG1 THR A 19 0.744 5.268 3.212 1.00 75.42 H new ATOM 0 HG21 THR A 19 3.253 4.296 2.547 1.00 3.05 H new ATOM 0 HG22 THR A 19 3.514 5.179 1.025 1.00 3.05 H new ATOM 0 HG23 THR A 19 2.837 6.022 2.438 1.00 3.05 H new ATOM 312 N ALA A 20 -1.578 5.899 0.469 1.00 32.01 N ATOM 313 CA ALA A 20 -2.936 5.520 0.046 1.00 61.22 C ATOM 314 C ALA A 20 -3.130 5.604 -1.488 1.00 43.11 C ATOM 315 O ALA A 20 -3.586 4.635 -2.102 1.00 3.13 O ATOM 316 CB ALA A 20 -3.980 6.367 0.773 1.00 72.11 C ATOM 0 H ALA A 20 -1.551 6.642 1.167 1.00 32.01 H new ATOM 0 HA ALA A 20 -3.074 4.474 0.321 1.00 61.22 H new ATOM 0 HB1 ALA A 20 -4.978 6.073 0.448 1.00 72.11 H new ATOM 0 HB2 ALA A 20 -3.889 6.213 1.848 1.00 72.11 H new ATOM 0 HB3 ALA A 20 -3.819 7.420 0.542 1.00 72.11 H new ATOM 322 N PRO A 21 -2.784 6.747 -2.143 1.00 5.41 N ATOM 323 CA PRO A 21 -2.901 6.879 -3.610 1.00 60.12 C ATOM 324 C PRO A 21 -2.135 5.781 -4.367 1.00 21.10 C ATOM 325 O PRO A 21 -2.517 5.387 -5.469 1.00 53.13 O ATOM 326 CB PRO A 21 -2.299 8.267 -3.910 1.00 74.33 C ATOM 327 CG PRO A 21 -1.548 8.649 -2.677 1.00 73.03 C ATOM 328 CD PRO A 21 -2.266 7.989 -1.534 1.00 21.34 C ATOM 0 HA PRO A 21 -3.936 6.776 -3.937 1.00 60.12 H new ATOM 0 HB2 PRO A 21 -1.639 8.230 -4.776 1.00 74.33 H new ATOM 0 HB3 PRO A 21 -3.080 8.993 -4.135 1.00 74.33 H new ATOM 0 HG2 PRO A 21 -0.512 8.315 -2.732 1.00 73.03 H new ATOM 0 HG3 PRO A 21 -1.528 9.732 -2.552 1.00 73.03 H new ATOM 0 HD2 PRO A 21 -1.594 7.781 -0.701 1.00 21.34 H new ATOM 0 HD3 PRO A 21 -3.070 8.615 -1.147 1.00 21.34 H new ATOM 336 N ILE A 22 -1.060 5.284 -3.759 1.00 14.42 N ATOM 337 CA ILE A 22 -0.263 4.208 -4.351 1.00 75.11 C ATOM 338 C ILE A 22 -1.047 2.887 -4.360 1.00 33.12 C ATOM 339 O ILE A 22 -1.080 2.172 -5.368 1.00 61.33 O ATOM 340 CB ILE A 22 1.068 4.018 -3.583 1.00 33.22 C ATOM 341 CG1 ILE A 22 1.833 5.351 -3.525 1.00 35.41 C ATOM 342 CG2 ILE A 22 1.918 2.927 -4.234 1.00 42.52 C ATOM 343 CD1 ILE A 22 3.122 5.286 -2.737 1.00 0.34 C ATOM 0 H ILE A 22 -0.719 5.609 -2.854 1.00 14.42 H new ATOM 0 HA ILE A 22 -0.039 4.493 -5.379 1.00 75.11 H new ATOM 0 HB ILE A 22 0.845 3.700 -2.564 1.00 33.22 H new ATOM 0 HG12 ILE A 22 2.056 5.675 -4.542 1.00 35.41 H new ATOM 0 HG13 ILE A 22 1.187 6.110 -3.084 1.00 35.41 H new ATOM 0 HG21 ILE A 22 2.848 2.810 -3.678 1.00 42.52 H new ATOM 0 HG22 ILE A 22 1.370 1.985 -4.226 1.00 42.52 H new ATOM 0 HG23 ILE A 22 2.143 3.207 -5.263 1.00 42.52 H new ATOM 0 HD11 ILE A 22 3.602 6.265 -2.743 1.00 0.34 H new ATOM 0 HD12 ILE A 22 2.906 4.994 -1.709 1.00 0.34 H new ATOM 0 HD13 ILE A 22 3.789 4.552 -3.190 1.00 0.34 H new ATOM 355 N PHE A 23 -1.686 2.570 -3.233 1.00 41.13 N ATOM 356 CA PHE A 23 -2.568 1.402 -3.152 1.00 70.12 C ATOM 357 C PHE A 23 -3.756 1.550 -4.119 1.00 60.54 C ATOM 358 O PHE A 23 -4.094 0.619 -4.855 1.00 74.11 O ATOM 359 CB PHE A 23 -3.078 1.205 -1.716 1.00 44.45 C ATOM 360 CG PHE A 23 -2.000 0.834 -0.723 1.00 54.42 C ATOM 361 CD1 PHE A 23 -1.354 -0.394 -0.806 1.00 33.03 C ATOM 362 CD2 PHE A 23 -1.640 1.706 0.297 1.00 10.22 C ATOM 363 CE1 PHE A 23 -0.374 -0.741 0.106 1.00 1.13 C ATOM 364 CE2 PHE A 23 -0.661 1.360 1.211 1.00 63.24 C ATOM 365 CZ PHE A 23 -0.029 0.136 1.115 1.00 52.20 C ATOM 0 H PHE A 23 -1.611 3.102 -2.366 1.00 41.13 H new ATOM 0 HA PHE A 23 -1.991 0.523 -3.440 1.00 70.12 H new ATOM 0 HB2 PHE A 23 -3.562 2.124 -1.384 1.00 44.45 H new ATOM 0 HB3 PHE A 23 -3.840 0.426 -1.716 1.00 44.45 H new ATOM 0 HD1 PHE A 23 -1.621 -1.085 -1.592 1.00 33.03 H new ATOM 0 HD2 PHE A 23 -2.130 2.665 0.377 1.00 10.22 H new ATOM 0 HE1 PHE A 23 0.121 -1.698 0.029 1.00 1.13 H new ATOM 0 HE2 PHE A 23 -0.391 2.047 1.999 1.00 63.24 H new ATOM 0 HZ PHE A 23 0.735 -0.135 1.829 1.00 52.20 H new ATOM 375 N ILE A 24 -4.376 2.732 -4.121 1.00 64.32 N ATOM 376 CA ILE A 24 -5.491 3.026 -5.031 1.00 73.10 C ATOM 377 C ILE A 24 -5.067 2.876 -6.504 1.00 24.14 C ATOM 378 O ILE A 24 -5.798 2.305 -7.314 1.00 40.33 O ATOM 379 CB ILE A 24 -6.047 4.457 -4.795 1.00 11.41 C ATOM 380 CG1 ILE A 24 -6.538 4.611 -3.344 1.00 72.43 C ATOM 381 CG2 ILE A 24 -7.173 4.777 -5.780 1.00 22.55 C ATOM 382 CD1 ILE A 24 -7.049 5.999 -3.009 1.00 24.53 C ATOM 0 H ILE A 24 -4.126 3.504 -3.503 1.00 64.32 H new ATOM 0 HA ILE A 24 -6.277 2.302 -4.816 1.00 73.10 H new ATOM 0 HB ILE A 24 -5.238 5.167 -4.965 1.00 11.41 H new ATOM 0 HG12 ILE A 24 -7.334 3.889 -3.162 1.00 72.43 H new ATOM 0 HG13 ILE A 24 -5.721 4.363 -2.667 1.00 72.43 H new ATOM 0 HG21 ILE A 24 -7.545 5.785 -5.593 1.00 22.55 H new ATOM 0 HG22 ILE A 24 -6.793 4.714 -6.800 1.00 22.55 H new ATOM 0 HG23 ILE A 24 -7.985 4.061 -5.650 1.00 22.55 H new ATOM 0 HD11 ILE A 24 -7.376 6.025 -1.970 1.00 24.53 H new ATOM 0 HD12 ILE A 24 -6.251 6.726 -3.157 1.00 24.53 H new ATOM 0 HD13 ILE A 24 -7.888 6.245 -3.660 1.00 24.53 H new ATOM 394 N ASN A 25 -3.872 3.377 -6.832 1.00 32.15 N ATOM 395 CA ASN A 25 -3.304 3.262 -8.187 1.00 53.13 C ATOM 396 C ASN A 25 -3.346 1.810 -8.695 1.00 74.43 C ATOM 397 O ASN A 25 -3.818 1.536 -9.797 1.00 61.00 O ATOM 398 CB ASN A 25 -1.851 3.761 -8.186 1.00 40.42 C ATOM 399 CG ASN A 25 -1.181 3.634 -9.545 1.00 75.11 C ATOM 400 OD1 ASN A 25 -1.799 3.837 -10.583 1.00 71.32 O ATOM 401 ND2 ASN A 25 0.084 3.277 -9.552 1.00 20.30 N ATOM 0 H ASN A 25 -3.271 3.872 -6.173 1.00 32.15 H new ATOM 0 HA ASN A 25 -3.908 3.875 -8.856 1.00 53.13 H new ATOM 0 HB2 ASN A 25 -1.831 4.805 -7.873 1.00 40.42 H new ATOM 0 HB3 ASN A 25 -1.279 3.196 -7.450 1.00 40.42 H new ATOM 0 HD21 ASN A 25 0.577 3.162 -10.438 1.00 20.30 H new ATOM 0 HD22 ASN A 25 0.573 3.115 -8.672 1.00 20.30 H new ATOM 408 N ASN A 26 -2.860 0.888 -7.870 1.00 2.31 N ATOM 409 CA ASN A 26 -2.800 -0.534 -8.235 1.00 34.35 C ATOM 410 C ASN A 26 -4.180 -1.217 -8.174 1.00 5.24 C ATOM 411 O ASN A 26 -4.319 -2.392 -8.524 1.00 52.13 O ATOM 412 CB ASN A 26 -1.795 -1.258 -7.334 1.00 64.21 C ATOM 413 CG ASN A 26 -0.362 -0.954 -7.728 1.00 52.34 C ATOM 414 OD1 ASN A 26 0.195 0.120 -7.202 1.00 42.33 O flip ATOM 415 ND2 ASN A 26 0.239 -1.679 -8.509 1.00 52.41 N flip ATOM 0 H ASN A 26 -2.499 1.096 -6.939 1.00 2.31 H new ATOM 0 HA ASN A 26 -2.469 -0.595 -9.272 1.00 34.35 H new ATOM 0 HB2 ASN A 26 -1.957 -0.962 -6.298 1.00 64.21 H new ATOM 0 HB3 ASN A 26 -1.967 -2.333 -7.389 1.00 64.21 H new ATOM 0 HD21 ASN A 26 -0.221 -2.502 -8.898 1.00 52.41 H new ATOM 0 HD22 ASN A 26 1.200 -1.460 -8.771 1.00 52.41 H new ATOM 422 N GLY A 27 -5.197 -0.483 -7.727 1.00 21.50 N ATOM 423 CA GLY A 27 -6.568 -0.983 -7.787 1.00 41.14 C ATOM 424 C GLY A 27 -7.160 -1.395 -6.440 1.00 15.20 C ATOM 425 O GLY A 27 -8.160 -2.114 -6.400 1.00 33.33 O ATOM 0 H GLY A 27 -5.100 0.449 -7.324 1.00 21.50 H new ATOM 0 HA2 GLY A 27 -7.202 -0.212 -8.226 1.00 41.14 H new ATOM 0 HA3 GLY A 27 -6.598 -1.841 -8.459 1.00 41.14 H new ATOM 429 N MET A 28 -6.558 -0.963 -5.333 1.00 2.02 N ATOM 430 CA MET A 28 -7.131 -1.237 -4.010 1.00 4.43 C ATOM 431 C MET A 28 -8.436 -0.454 -3.802 1.00 35.32 C ATOM 432 O MET A 28 -8.558 0.700 -4.222 1.00 31.11 O ATOM 433 CB MET A 28 -6.131 -0.901 -2.904 1.00 4.03 C ATOM 434 CG MET A 28 -4.917 -1.819 -2.881 1.00 24.40 C ATOM 435 SD MET A 28 -5.349 -3.523 -2.473 1.00 1.40 S ATOM 436 CE MET A 28 -3.734 -4.300 -2.476 1.00 54.22 C ATOM 0 H MET A 28 -5.688 -0.430 -5.321 1.00 2.02 H new ATOM 0 HA MET A 28 -7.358 -2.302 -3.961 1.00 4.43 H new ATOM 0 HB2 MET A 28 -5.795 0.128 -3.030 1.00 4.03 H new ATOM 0 HB3 MET A 28 -6.636 -0.956 -1.940 1.00 4.03 H new ATOM 0 HG2 MET A 28 -4.428 -1.794 -3.855 1.00 24.40 H new ATOM 0 HG3 MET A 28 -4.197 -1.446 -2.153 1.00 24.40 H new ATOM 0 HE1 MET A 28 -3.823 -5.326 -2.119 1.00 54.22 H new ATOM 0 HE2 MET A 28 -3.333 -4.302 -3.490 1.00 54.22 H new ATOM 0 HE3 MET A 28 -3.062 -3.745 -1.821 1.00 54.22 H new ATOM 572 N GLU A 39 -5.151 -7.426 6.561 1.00 31.33 N ATOM 573 CA GLU A 39 -4.304 -8.405 5.864 1.00 43.13 C ATOM 574 C GLU A 39 -3.121 -7.729 5.144 1.00 51.42 C ATOM 575 O GLU A 39 -3.073 -6.503 5.001 1.00 12.15 O ATOM 576 CB GLU A 39 -5.150 -9.233 4.880 1.00 55.40 C ATOM 577 CG GLU A 39 -5.881 -8.409 3.822 1.00 12.51 C ATOM 578 CD GLU A 39 -6.928 -9.219 3.067 1.00 3.20 C ATOM 579 OE1 GLU A 39 -8.048 -9.396 3.595 1.00 11.13 O ATOM 580 OE2 GLU A 39 -6.647 -9.680 1.945 1.00 20.52 O ATOM 0 HA GLU A 39 -3.881 -9.075 6.612 1.00 43.13 H new ATOM 0 HB2 GLU A 39 -4.501 -9.951 4.378 1.00 55.40 H new ATOM 0 HB3 GLU A 39 -5.884 -9.807 5.446 1.00 55.40 H new ATOM 0 HG2 GLU A 39 -6.363 -7.556 4.300 1.00 12.51 H new ATOM 0 HG3 GLU A 39 -5.156 -8.009 3.113 1.00 12.51 H new ATOM 587 N SER A 40 -2.161 -8.542 4.701 1.00 14.01 N ATOM 588 CA SER A 40 -0.927 -8.030 4.086 1.00 40.31 C ATOM 589 C SER A 40 -1.154 -7.537 2.654 1.00 24.32 C ATOM 590 O SER A 40 -2.169 -7.845 2.028 1.00 4.15 O ATOM 591 CB SER A 40 0.159 -9.113 4.078 1.00 62.11 C ATOM 592 OG SER A 40 -0.214 -10.214 3.265 1.00 14.32 O ATOM 0 H SER A 40 -2.211 -9.559 4.755 1.00 14.01 H new ATOM 0 HA SER A 40 -0.604 -7.182 4.690 1.00 40.31 H new ATOM 0 HB2 SER A 40 1.095 -8.690 3.713 1.00 62.11 H new ATOM 0 HB3 SER A 40 0.341 -9.456 5.097 1.00 62.11 H new ATOM 0 HG SER A 40 0.498 -10.887 3.278 1.00 14.32 H new ATOM 598 N ILE A 41 -0.187 -6.776 2.140 1.00 41.44 N ATOM 599 CA ILE A 41 -0.243 -6.251 0.777 1.00 51.44 C ATOM 600 C ILE A 41 -0.442 -7.362 -0.271 1.00 42.13 C ATOM 601 O ILE A 41 -1.340 -7.277 -1.112 1.00 43.13 O ATOM 602 CB ILE A 41 1.054 -5.467 0.475 1.00 33.32 C ATOM 603 CG1 ILE A 41 1.170 -4.265 1.430 1.00 45.01 C ATOM 604 CG2 ILE A 41 1.101 -5.017 -0.985 1.00 54.42 C ATOM 605 CD1 ILE A 41 2.594 -3.849 1.705 1.00 70.23 C ATOM 0 H ILE A 41 0.652 -6.508 2.654 1.00 41.44 H new ATOM 0 HA ILE A 41 -1.107 -5.589 0.712 1.00 51.44 H new ATOM 0 HB ILE A 41 1.906 -6.127 0.637 1.00 33.32 H new ATOM 0 HG12 ILE A 41 0.629 -3.420 1.005 1.00 45.01 H new ATOM 0 HG13 ILE A 41 0.684 -4.513 2.374 1.00 45.01 H new ATOM 0 HG21 ILE A 41 2.025 -4.468 -1.167 1.00 54.42 H new ATOM 0 HG22 ILE A 41 1.063 -5.890 -1.636 1.00 54.42 H new ATOM 0 HG23 ILE A 41 0.248 -4.371 -1.194 1.00 54.42 H new ATOM 0 HD11 ILE A 41 2.599 -2.997 2.385 1.00 70.23 H new ATOM 0 HD12 ILE A 41 3.134 -4.679 2.160 1.00 70.23 H new ATOM 0 HD13 ILE A 41 3.079 -3.570 0.769 1.00 70.23 H new ATOM 617 N GLU A 42 0.381 -8.412 -0.211 1.00 53.13 N ATOM 618 CA GLU A 42 0.300 -9.508 -1.188 1.00 63.53 C ATOM 619 C GLU A 42 -1.013 -10.293 -1.054 1.00 32.43 C ATOM 620 O GLU A 42 -1.592 -10.728 -2.054 1.00 15.21 O ATOM 621 CB GLU A 42 1.493 -10.467 -1.053 1.00 54.22 C ATOM 622 CG GLU A 42 1.609 -11.154 0.305 1.00 65.44 C ATOM 623 CD GLU A 42 2.645 -12.269 0.301 1.00 41.33 C ATOM 624 OE1 GLU A 42 2.345 -13.354 -0.235 1.00 45.42 O ATOM 625 OE2 GLU A 42 3.762 -12.068 0.823 1.00 0.42 O ATOM 0 H GLU A 42 1.106 -8.529 0.496 1.00 53.13 H new ATOM 0 HA GLU A 42 0.328 -9.049 -2.176 1.00 63.53 H new ATOM 0 HB2 GLU A 42 1.416 -11.231 -1.826 1.00 54.22 H new ATOM 0 HB3 GLU A 42 2.411 -9.912 -1.244 1.00 54.22 H new ATOM 0 HG2 GLU A 42 1.876 -10.416 1.062 1.00 65.44 H new ATOM 0 HG3 GLU A 42 0.639 -11.563 0.587 1.00 65.44 H new ATOM 632 N ASP A 43 -1.477 -10.473 0.180 1.00 11.44 N ATOM 633 CA ASP A 43 -2.727 -11.187 0.438 1.00 41.52 C ATOM 634 C ASP A 43 -3.915 -10.409 -0.158 1.00 63.12 C ATOM 635 O ASP A 43 -4.730 -10.961 -0.906 1.00 53.20 O ATOM 636 CB ASP A 43 -2.904 -11.380 1.953 1.00 34.23 C ATOM 637 CG ASP A 43 -3.850 -12.513 2.318 1.00 30.34 C ATOM 638 OD1 ASP A 43 -4.469 -13.113 1.418 1.00 62.34 O ATOM 639 OD2 ASP A 43 -3.966 -12.825 3.521 1.00 23.22 O ATOM 0 H ASP A 43 -1.006 -10.134 1.019 1.00 11.44 H new ATOM 0 HA ASP A 43 -2.691 -12.167 -0.038 1.00 41.52 H new ATOM 0 HB2 ASP A 43 -1.930 -11.573 2.402 1.00 34.23 H new ATOM 0 HB3 ASP A 43 -3.277 -10.453 2.387 1.00 34.23 H new ATOM 644 N ALA A 44 -3.977 -9.116 0.153 1.00 64.11 N ATOM 645 CA ALA A 44 -5.024 -8.232 -0.369 1.00 31.24 C ATOM 646 C ALA A 44 -4.974 -8.127 -1.901 1.00 61.31 C ATOM 647 O ALA A 44 -6.013 -8.158 -2.570 1.00 45.04 O ATOM 648 CB ALA A 44 -4.905 -6.853 0.266 1.00 24.25 C ATOM 0 H ALA A 44 -3.310 -8.652 0.769 1.00 64.11 H new ATOM 0 HA ALA A 44 -5.989 -8.666 -0.107 1.00 31.24 H new ATOM 0 HB1 ALA A 44 -5.686 -6.203 -0.127 1.00 24.25 H new ATOM 0 HB2 ALA A 44 -5.015 -6.940 1.347 1.00 24.25 H new ATOM 0 HB3 ALA A 44 -3.928 -6.428 0.033 1.00 24.25 H new ATOM 654 N CYS A 45 -3.765 -7.999 -2.452 1.00 50.33 N ATOM 655 CA CYS A 45 -3.577 -7.967 -3.908 1.00 42.15 C ATOM 656 C CYS A 45 -4.257 -9.164 -4.589 1.00 11.34 C ATOM 657 O CYS A 45 -5.061 -8.991 -5.504 1.00 1.24 O ATOM 658 CB CYS A 45 -2.082 -7.945 -4.266 1.00 33.44 C ATOM 659 SG CYS A 45 -1.242 -6.393 -3.863 1.00 42.32 S ATOM 0 H CYS A 45 -2.902 -7.916 -1.915 1.00 50.33 H new ATOM 0 HA CYS A 45 -4.044 -7.053 -4.274 1.00 42.15 H new ATOM 0 HB2 CYS A 45 -1.583 -8.761 -3.743 1.00 33.44 H new ATOM 0 HB3 CYS A 45 -1.973 -8.137 -5.333 1.00 33.44 H new ATOM 0 HG CYS A 45 -1.028 -6.335 -2.582 1.00 42.32 H new ATOM 665 N ALA A 46 -3.946 -10.372 -4.123 1.00 42.03 N ATOM 666 CA ALA A 46 -4.528 -11.597 -4.686 1.00 14.32 C ATOM 667 C ALA A 46 -6.068 -11.574 -4.663 1.00 4.31 C ATOM 668 O ALA A 46 -6.717 -12.038 -5.599 1.00 45.32 O ATOM 669 CB ALA A 46 -4.002 -12.818 -3.937 1.00 25.34 C ATOM 0 H ALA A 46 -3.293 -10.533 -3.356 1.00 42.03 H new ATOM 0 HA ALA A 46 -4.224 -11.655 -5.731 1.00 14.32 H new ATOM 0 HB1 ALA A 46 -4.439 -13.722 -4.362 1.00 25.34 H new ATOM 0 HB2 ALA A 46 -2.917 -12.862 -4.029 1.00 25.34 H new ATOM 0 HB3 ALA A 46 -4.274 -12.744 -2.884 1.00 25.34 H new ATOM 675 N VAL A 47 -6.650 -11.018 -3.599 1.00 62.51 N ATOM 676 CA VAL A 47 -8.113 -10.921 -3.478 1.00 3.43 C ATOM 677 C VAL A 47 -8.729 -10.104 -4.629 1.00 13.02 C ATOM 678 O VAL A 47 -9.761 -10.480 -5.192 1.00 30.31 O ATOM 679 CB VAL A 47 -8.529 -10.287 -2.125 1.00 4.11 C ATOM 680 CG1 VAL A 47 -10.052 -10.182 -2.013 1.00 34.34 C ATOM 681 CG2 VAL A 47 -7.954 -11.081 -0.955 1.00 63.22 C ATOM 0 H VAL A 47 -6.136 -10.628 -2.809 1.00 62.51 H new ATOM 0 HA VAL A 47 -8.494 -11.941 -3.528 1.00 3.43 H new ATOM 0 HB VAL A 47 -8.118 -9.278 -2.087 1.00 4.11 H new ATOM 0 HG11 VAL A 47 -10.316 -9.734 -1.055 1.00 34.34 H new ATOM 0 HG12 VAL A 47 -10.434 -9.560 -2.822 1.00 34.34 H new ATOM 0 HG13 VAL A 47 -10.491 -11.177 -2.082 1.00 34.34 H new ATOM 0 HG21 VAL A 47 -8.259 -10.618 -0.016 1.00 63.22 H new ATOM 0 HG22 VAL A 47 -8.326 -12.105 -0.992 1.00 63.22 H new ATOM 0 HG23 VAL A 47 -6.866 -11.088 -1.020 1.00 63.22 H new ATOM 691 N HIS A 48 -8.087 -8.990 -4.982 1.00 44.20 N ATOM 692 CA HIS A 48 -8.590 -8.112 -6.049 1.00 71.22 C ATOM 693 C HIS A 48 -7.884 -8.395 -7.394 1.00 20.44 C ATOM 694 O HIS A 48 -8.182 -7.762 -8.408 1.00 11.24 O ATOM 695 CB HIS A 48 -8.403 -6.640 -5.638 1.00 41.23 C ATOM 696 CG HIS A 48 -9.141 -5.658 -6.499 1.00 32.21 C ATOM 697 ND1 HIS A 48 -10.471 -5.350 -6.315 1.00 60.54 N ATOM 698 CD2 HIS A 48 -8.728 -4.899 -7.543 1.00 12.24 C ATOM 699 CE1 HIS A 48 -10.842 -4.454 -7.205 1.00 23.05 C ATOM 700 NE2 HIS A 48 -9.806 -4.161 -7.961 1.00 50.20 N ATOM 0 H HIS A 48 -7.220 -8.672 -4.549 1.00 44.20 H new ATOM 0 HA HIS A 48 -9.652 -8.315 -6.190 1.00 71.22 H new ATOM 0 HB2 HIS A 48 -8.732 -6.519 -4.606 1.00 41.23 H new ATOM 0 HB3 HIS A 48 -7.340 -6.400 -5.664 1.00 41.23 H new ATOM 0 HD2 HIS A 48 -7.735 -4.879 -7.967 1.00 12.24 H new ATOM 0 HE1 HIS A 48 -11.831 -4.030 -7.299 1.00 23.05 H new ATOM 0 HE2 HIS A 48 -9.805 -3.494 -8.732 1.00 50.20 H new ATOM 709 N GLY A 49 -6.953 -9.352 -7.395 1.00 12.43 N ATOM 710 CA GLY A 49 -6.213 -9.698 -8.611 1.00 25.22 C ATOM 711 C GLY A 49 -5.051 -8.749 -8.907 1.00 64.10 C ATOM 712 O GLY A 49 -4.479 -8.766 -10.000 1.00 72.00 O ATOM 0 H GLY A 49 -6.695 -9.898 -6.573 1.00 12.43 H new ATOM 0 HA2 GLY A 49 -5.828 -10.713 -8.516 1.00 25.22 H new ATOM 0 HA3 GLY A 49 -6.899 -9.695 -9.458 1.00 25.22 H new ATOM 716 N ILE A 50 -4.699 -7.924 -7.929 1.00 52.55 N ATOM 717 CA ILE A 50 -3.597 -6.965 -8.066 1.00 41.22 C ATOM 718 C ILE A 50 -2.232 -7.670 -7.997 1.00 13.11 C ATOM 719 O ILE A 50 -2.110 -8.750 -7.417 1.00 4.21 O ATOM 720 CB ILE A 50 -3.673 -5.890 -6.953 1.00 13.02 C ATOM 721 CG1 ILE A 50 -5.069 -5.246 -6.930 1.00 41.21 C ATOM 722 CG2 ILE A 50 -2.585 -4.829 -7.134 1.00 54.50 C ATOM 723 CD1 ILE A 50 -5.260 -4.243 -5.811 1.00 74.34 C ATOM 0 H ILE A 50 -5.163 -7.896 -7.021 1.00 52.55 H new ATOM 0 HA ILE A 50 -3.697 -6.489 -9.041 1.00 41.22 H new ATOM 0 HB ILE A 50 -3.500 -6.378 -5.994 1.00 13.02 H new ATOM 0 HG12 ILE A 50 -5.246 -4.750 -7.884 1.00 41.21 H new ATOM 0 HG13 ILE A 50 -5.820 -6.031 -6.834 1.00 41.21 H new ATOM 0 HG21 ILE A 50 -2.663 -4.088 -6.338 1.00 54.50 H new ATOM 0 HG22 ILE A 50 -1.604 -5.303 -7.093 1.00 54.50 H new ATOM 0 HG23 ILE A 50 -2.711 -4.339 -8.100 1.00 54.50 H new ATOM 0 HD11 ILE A 50 -6.268 -3.831 -5.860 1.00 74.34 H new ATOM 0 HD12 ILE A 50 -5.116 -4.738 -4.850 1.00 74.34 H new ATOM 0 HD13 ILE A 50 -4.534 -3.437 -5.917 1.00 74.34 H new ATOM 735 N ASP A 51 -1.211 -7.065 -8.600 1.00 63.22 N ATOM 736 CA ASP A 51 0.154 -7.593 -8.523 1.00 34.24 C ATOM 737 C ASP A 51 0.951 -6.870 -7.423 1.00 11.34 C ATOM 738 O ASP A 51 1.223 -5.667 -7.520 1.00 23.45 O ATOM 739 CB ASP A 51 0.861 -7.447 -9.875 1.00 63.32 C ATOM 740 CG ASP A 51 2.242 -8.076 -9.870 1.00 51.42 C ATOM 741 OD1 ASP A 51 2.343 -9.305 -10.059 1.00 44.43 O ATOM 742 OD2 ASP A 51 3.233 -7.347 -9.674 1.00 64.11 O ATOM 0 H ASP A 51 -1.300 -6.209 -9.148 1.00 63.22 H new ATOM 0 HA ASP A 51 0.099 -8.652 -8.271 1.00 34.24 H new ATOM 0 HB2 ASP A 51 0.255 -7.912 -10.652 1.00 63.32 H new ATOM 0 HB3 ASP A 51 0.946 -6.390 -10.127 1.00 63.32 H new ATOM 747 N ALA A 52 1.314 -7.606 -6.374 1.00 31.22 N ATOM 748 CA ALA A 52 2.041 -7.033 -5.237 1.00 64.41 C ATOM 749 C ALA A 52 3.471 -6.615 -5.613 1.00 12.54 C ATOM 750 O ALA A 52 3.998 -5.641 -5.081 1.00 52.25 O ATOM 751 CB ALA A 52 2.067 -8.027 -4.080 1.00 20.23 C ATOM 0 H ALA A 52 1.117 -8.603 -6.286 1.00 31.22 H new ATOM 0 HA ALA A 52 1.512 -6.131 -4.930 1.00 64.41 H new ATOM 0 HB1 ALA A 52 2.609 -7.593 -3.240 1.00 20.23 H new ATOM 0 HB2 ALA A 52 1.046 -8.256 -3.774 1.00 20.23 H new ATOM 0 HB3 ALA A 52 2.564 -8.943 -4.398 1.00 20.23 H new ATOM 757 N ASP A 53 4.088 -7.344 -6.539 1.00 61.15 N ATOM 758 CA ASP A 53 5.468 -7.069 -6.950 1.00 43.22 C ATOM 759 C ASP A 53 5.625 -5.632 -7.495 1.00 41.22 C ATOM 760 O ASP A 53 6.621 -4.954 -7.219 1.00 71.32 O ATOM 761 CB ASP A 53 5.911 -8.103 -7.991 1.00 32.43 C ATOM 762 CG ASP A 53 7.338 -7.890 -8.452 1.00 42.54 C ATOM 763 OD1 ASP A 53 8.267 -8.314 -7.736 1.00 22.11 O ATOM 764 OD2 ASP A 53 7.539 -7.288 -9.525 1.00 22.25 O ATOM 0 H ASP A 53 3.656 -8.132 -7.022 1.00 61.15 H new ATOM 0 HA ASP A 53 6.111 -7.148 -6.073 1.00 43.22 H new ATOM 0 HB2 ASP A 53 5.815 -9.103 -7.568 1.00 32.43 H new ATOM 0 HB3 ASP A 53 5.244 -8.055 -8.852 1.00 32.43 H new ATOM 769 N LYS A 54 4.642 -5.176 -8.268 1.00 50.43 N ATOM 770 CA LYS A 54 4.614 -3.792 -8.762 1.00 21.20 C ATOM 771 C LYS A 54 4.324 -2.803 -7.619 1.00 32.13 C ATOM 772 O LYS A 54 5.048 -1.826 -7.421 1.00 1.11 O ATOM 773 CB LYS A 54 3.545 -3.648 -9.858 1.00 42.41 C ATOM 774 CG LYS A 54 3.784 -4.535 -11.074 1.00 22.23 C ATOM 775 CD LYS A 54 2.614 -4.483 -12.056 1.00 63.13 C ATOM 776 CE LYS A 54 2.787 -5.487 -13.191 1.00 62.51 C ATOM 777 NZ LYS A 54 1.641 -5.468 -14.138 1.00 35.23 N ATOM 0 H LYS A 54 3.850 -5.743 -8.569 1.00 50.43 H new ATOM 0 HA LYS A 54 5.595 -3.559 -9.177 1.00 21.20 H new ATOM 0 HB2 LYS A 54 2.569 -3.885 -9.434 1.00 42.41 H new ATOM 0 HB3 LYS A 54 3.508 -2.608 -10.181 1.00 42.41 H new ATOM 0 HG2 LYS A 54 4.697 -4.220 -11.580 1.00 22.23 H new ATOM 0 HG3 LYS A 54 3.939 -5.564 -10.748 1.00 22.23 H new ATOM 0 HD2 LYS A 54 1.684 -4.689 -11.526 1.00 63.13 H new ATOM 0 HD3 LYS A 54 2.529 -3.478 -12.469 1.00 63.13 H new ATOM 0 HE2 LYS A 54 3.707 -5.266 -13.732 1.00 62.51 H new ATOM 0 HE3 LYS A 54 2.895 -6.488 -12.774 1.00 62.51 H new ATOM 0 HZ1 LYS A 54 1.802 -6.166 -14.892 1.00 35.23 H new ATOM 0 HZ2 LYS A 54 0.766 -5.705 -13.629 1.00 35.23 H new ATOM 0 HZ3 LYS A 54 1.552 -4.520 -14.557 1.00 35.23 H new ATOM 791 N LEU A 55 3.280 -3.100 -6.846 1.00 41.13 N ATOM 792 CA LEU A 55 2.801 -2.213 -5.778 1.00 42.14 C ATOM 793 C LEU A 55 3.879 -1.939 -4.716 1.00 4.12 C ATOM 794 O LEU A 55 4.105 -0.791 -4.326 1.00 72.20 O ATOM 795 CB LEU A 55 1.549 -2.829 -5.130 1.00 40.45 C ATOM 796 CG LEU A 55 1.021 -2.123 -3.868 1.00 25.40 C ATOM 797 CD1 LEU A 55 0.764 -0.640 -4.130 1.00 20.25 C ATOM 798 CD2 LEU A 55 -0.255 -2.805 -3.372 1.00 73.33 C ATOM 0 H LEU A 55 2.741 -3.961 -6.940 1.00 41.13 H new ATOM 0 HA LEU A 55 2.553 -1.251 -6.226 1.00 42.14 H new ATOM 0 HB2 LEU A 55 0.751 -2.845 -5.873 1.00 40.45 H new ATOM 0 HB3 LEU A 55 1.769 -3.866 -4.876 1.00 40.45 H new ATOM 0 HG LEU A 55 1.785 -2.200 -3.095 1.00 25.40 H new ATOM 0 HD11 LEU A 55 0.392 -0.169 -3.220 1.00 20.25 H new ATOM 0 HD12 LEU A 55 1.693 -0.158 -4.434 1.00 20.25 H new ATOM 0 HD13 LEU A 55 0.023 -0.534 -4.923 1.00 20.25 H new ATOM 0 HD21 LEU A 55 -0.617 -2.295 -2.479 1.00 73.33 H new ATOM 0 HD22 LEU A 55 -1.017 -2.760 -4.150 1.00 73.33 H new ATOM 0 HD23 LEU A 55 -0.041 -3.847 -3.133 1.00 73.33 H new ATOM 810 N VAL A 56 4.545 -2.992 -4.251 1.00 23.13 N ATOM 811 CA VAL A 56 5.550 -2.860 -3.195 1.00 13.53 C ATOM 812 C VAL A 56 6.726 -1.964 -3.622 1.00 12.24 C ATOM 813 O VAL A 56 7.227 -1.170 -2.823 1.00 41.23 O ATOM 814 CB VAL A 56 6.071 -4.245 -2.744 1.00 73.42 C ATOM 815 CG1 VAL A 56 7.149 -4.107 -1.669 1.00 61.25 C ATOM 816 CG2 VAL A 56 4.912 -5.096 -2.236 1.00 71.53 C ATOM 0 H VAL A 56 4.409 -3.946 -4.587 1.00 23.13 H new ATOM 0 HA VAL A 56 5.056 -2.379 -2.351 1.00 13.53 H new ATOM 0 HB VAL A 56 6.523 -4.739 -3.604 1.00 73.42 H new ATOM 0 HG11 VAL A 56 7.496 -5.097 -1.372 1.00 61.25 H new ATOM 0 HG12 VAL A 56 7.987 -3.533 -2.065 1.00 61.25 H new ATOM 0 HG13 VAL A 56 6.734 -3.593 -0.802 1.00 61.25 H new ATOM 0 HG21 VAL A 56 5.287 -6.070 -1.920 1.00 71.53 H new ATOM 0 HG22 VAL A 56 4.438 -4.598 -1.390 1.00 71.53 H new ATOM 0 HG23 VAL A 56 4.182 -5.230 -3.034 1.00 71.53 H new ATOM 826 N LYS A 57 7.157 -2.073 -4.881 1.00 25.31 N ATOM 827 CA LYS A 57 8.224 -1.199 -5.393 1.00 55.23 C ATOM 828 C LYS A 57 7.789 0.275 -5.352 1.00 61.04 C ATOM 829 O LYS A 57 8.544 1.142 -4.907 1.00 35.41 O ATOM 830 CB LYS A 57 8.643 -1.600 -6.821 1.00 5.40 C ATOM 831 CG LYS A 57 9.602 -2.790 -6.870 1.00 73.13 C ATOM 832 CD LYS A 57 10.133 -3.046 -8.277 1.00 21.41 C ATOM 833 CE LYS A 57 9.082 -3.676 -9.171 1.00 32.21 C ATOM 834 NZ LYS A 57 8.776 -5.072 -8.766 1.00 25.53 N ATOM 0 H LYS A 57 6.793 -2.744 -5.557 1.00 25.31 H new ATOM 0 HA LYS A 57 9.091 -1.322 -4.744 1.00 55.23 H new ATOM 0 HB2 LYS A 57 7.750 -1.841 -7.398 1.00 5.40 H new ATOM 0 HB3 LYS A 57 9.114 -0.745 -7.305 1.00 5.40 H new ATOM 0 HG2 LYS A 57 10.439 -2.608 -6.196 1.00 73.13 H new ATOM 0 HG3 LYS A 57 9.090 -3.682 -6.509 1.00 73.13 H new ATOM 0 HD2 LYS A 57 10.467 -2.106 -8.716 1.00 21.41 H new ATOM 0 HD3 LYS A 57 11.004 -3.700 -8.223 1.00 21.41 H new ATOM 0 HE2 LYS A 57 8.170 -3.080 -9.136 1.00 32.21 H new ATOM 0 HE3 LYS A 57 9.430 -3.665 -10.204 1.00 32.21 H new ATOM 0 HZ1 LYS A 57 8.303 -5.565 -9.550 1.00 25.53 H new ATOM 0 HZ2 LYS A 57 9.660 -5.566 -8.529 1.00 25.53 H new ATOM 0 HZ3 LYS A 57 8.150 -5.063 -7.935 1.00 25.53 H new ATOM 848 N GLU A 58 6.563 0.542 -5.800 1.00 62.33 N ATOM 849 CA GLU A 58 5.978 1.887 -5.725 1.00 11.24 C ATOM 850 C GLU A 58 5.989 2.424 -4.281 1.00 14.21 C ATOM 851 O GLU A 58 6.301 3.592 -4.037 1.00 53.20 O ATOM 852 CB GLU A 58 4.541 1.862 -6.267 1.00 63.33 C ATOM 853 CG GLU A 58 4.444 1.581 -7.762 1.00 44.22 C ATOM 854 CD GLU A 58 3.014 1.630 -8.277 1.00 13.50 C ATOM 855 OE1 GLU A 58 2.337 2.660 -8.061 1.00 1.12 O ATOM 856 OE2 GLU A 58 2.568 0.657 -8.919 1.00 41.51 O ATOM 0 H GLU A 58 5.950 -0.156 -6.221 1.00 62.33 H new ATOM 0 HA GLU A 58 6.585 2.555 -6.336 1.00 11.24 H new ATOM 0 HB2 GLU A 58 3.974 1.103 -5.728 1.00 63.33 H new ATOM 0 HB3 GLU A 58 4.068 2.822 -6.057 1.00 63.33 H new ATOM 0 HG2 GLU A 58 5.046 2.310 -8.304 1.00 44.22 H new ATOM 0 HG3 GLU A 58 4.868 0.599 -7.971 1.00 44.22 H new ATOM 863 N LEU A 59 5.643 1.558 -3.327 1.00 40.15 N ATOM 864 CA LEU A 59 5.660 1.916 -1.905 1.00 12.55 C ATOM 865 C LEU A 59 7.080 2.279 -1.424 1.00 25.43 C ATOM 866 O LEU A 59 7.294 3.351 -0.856 1.00 22.43 O ATOM 867 CB LEU A 59 5.093 0.760 -1.070 1.00 61.01 C ATOM 868 CG LEU A 59 3.616 0.422 -1.338 1.00 52.11 C ATOM 869 CD1 LEU A 59 3.215 -0.867 -0.625 1.00 2.21 C ATOM 870 CD2 LEU A 59 2.714 1.581 -0.915 1.00 45.21 C ATOM 0 H LEU A 59 5.346 0.600 -3.513 1.00 40.15 H new ATOM 0 HA LEU A 59 5.035 2.799 -1.773 1.00 12.55 H new ATOM 0 HB2 LEU A 59 5.693 -0.131 -1.257 1.00 61.01 H new ATOM 0 HB3 LEU A 59 5.207 1.005 -0.014 1.00 61.01 H new ATOM 0 HG LEU A 59 3.491 0.266 -2.410 1.00 52.11 H new ATOM 0 HD11 LEU A 59 2.167 -1.085 -0.830 1.00 2.21 H new ATOM 0 HD12 LEU A 59 3.834 -1.689 -0.985 1.00 2.21 H new ATOM 0 HD13 LEU A 59 3.358 -0.748 0.449 1.00 2.21 H new ATOM 0 HD21 LEU A 59 1.674 1.323 -1.112 1.00 45.21 H new ATOM 0 HD22 LEU A 59 2.844 1.774 0.150 1.00 45.21 H new ATOM 0 HD23 LEU A 59 2.980 2.474 -1.480 1.00 45.21 H new ATOM 882 N ASN A 60 8.047 1.385 -1.660 1.00 31.01 N ATOM 883 CA ASN A 60 9.444 1.626 -1.253 1.00 0.22 C ATOM 884 C ASN A 60 9.988 2.947 -1.815 1.00 53.33 C ATOM 885 O ASN A 60 10.541 3.766 -1.073 1.00 60.30 O ATOM 886 CB ASN A 60 10.352 0.466 -1.685 1.00 62.41 C ATOM 887 CG ASN A 60 10.187 -0.758 -0.804 1.00 15.12 C ATOM 888 OD1 ASN A 60 10.816 -0.869 0.237 1.00 43.44 O ATOM 889 ND2 ASN A 60 9.350 -1.689 -1.209 1.00 72.32 N ATOM 0 H ASN A 60 7.894 0.492 -2.128 1.00 31.01 H new ATOM 0 HA ASN A 60 9.446 1.695 -0.165 1.00 0.22 H new ATOM 0 HB2 ASN A 60 10.129 0.199 -2.718 1.00 62.41 H new ATOM 0 HB3 ASN A 60 11.392 0.792 -1.657 1.00 62.41 H new ATOM 0 HD21 ASN A 60 9.213 -2.530 -0.649 1.00 72.32 H new ATOM 0 HD22 ASN A 60 8.838 -1.569 -2.083 1.00 72.32 H new ATOM 896 N GLU A 61 9.829 3.154 -3.123 1.00 13.41 N ATOM 897 CA GLU A 61 10.284 4.392 -3.762 1.00 72.22 C ATOM 898 C GLU A 61 9.702 5.628 -3.063 1.00 74.33 C ATOM 899 O GLU A 61 10.412 6.606 -2.832 1.00 64.11 O ATOM 900 CB GLU A 61 9.912 4.418 -5.253 1.00 12.41 C ATOM 901 CG GLU A 61 10.660 3.399 -6.106 1.00 33.54 C ATOM 902 CD GLU A 61 10.386 3.577 -7.593 1.00 21.11 C ATOM 903 OE1 GLU A 61 9.405 2.994 -8.101 1.00 1.15 O ATOM 904 OE2 GLU A 61 11.141 4.314 -8.260 1.00 23.33 O ATOM 0 H GLU A 61 9.392 2.486 -3.758 1.00 13.41 H new ATOM 0 HA GLU A 61 11.370 4.418 -3.670 1.00 72.22 H new ATOM 0 HB2 GLU A 61 8.841 4.240 -5.351 1.00 12.41 H new ATOM 0 HB3 GLU A 61 10.106 5.416 -5.646 1.00 12.41 H new ATOM 0 HG2 GLU A 61 11.731 3.491 -5.923 1.00 33.54 H new ATOM 0 HG3 GLU A 61 10.370 2.393 -5.803 1.00 33.54 H new ATOM 911 N TYR A 62 8.419 5.569 -2.712 1.00 13.25 N ATOM 912 CA TYR A 62 7.739 6.694 -2.060 1.00 34.34 C ATOM 913 C TYR A 62 8.416 7.095 -0.739 1.00 1.25 C ATOM 914 O TYR A 62 8.689 8.275 -0.503 1.00 34.20 O ATOM 915 CB TYR A 62 6.270 6.351 -1.802 1.00 22.23 C ATOM 916 CG TYR A 62 5.489 7.483 -1.164 1.00 1.12 C ATOM 917 CD1 TYR A 62 4.967 8.511 -1.942 1.00 44.12 C ATOM 918 CD2 TYR A 62 5.285 7.532 0.213 1.00 51.12 C ATOM 919 CE1 TYR A 62 4.267 9.549 -1.369 1.00 52.44 C ATOM 920 CE2 TYR A 62 4.588 8.571 0.790 1.00 32.42 C ATOM 921 CZ TYR A 62 4.080 9.576 -0.004 1.00 31.32 C ATOM 922 OH TYR A 62 3.392 10.615 0.568 1.00 63.03 O ATOM 0 H TYR A 62 7.826 4.754 -2.867 1.00 13.25 H new ATOM 0 HA TYR A 62 7.804 7.544 -2.739 1.00 34.34 H new ATOM 0 HB2 TYR A 62 5.797 6.080 -2.746 1.00 22.23 H new ATOM 0 HB3 TYR A 62 6.218 5.474 -1.156 1.00 22.23 H new ATOM 0 HD1 TYR A 62 5.113 8.495 -3.012 1.00 44.12 H new ATOM 0 HD2 TYR A 62 5.679 6.744 0.838 1.00 51.12 H new ATOM 0 HE1 TYR A 62 3.866 10.339 -1.987 1.00 52.44 H new ATOM 0 HE2 TYR A 62 4.441 8.598 1.860 1.00 32.42 H new ATOM 0 HH TYR A 62 2.908 11.108 -0.127 1.00 63.03 H new ATOM 932 N PHE A 63 8.678 6.116 0.125 1.00 43.21 N ATOM 933 CA PHE A 63 9.323 6.391 1.415 1.00 25.41 C ATOM 934 C PHE A 63 10.701 7.040 1.231 1.00 72.35 C ATOM 935 O PHE A 63 11.095 7.915 2.006 1.00 35.22 O ATOM 936 CB PHE A 63 9.426 5.111 2.257 1.00 14.44 C ATOM 937 CG PHE A 63 8.100 4.685 2.830 1.00 32.22 C ATOM 938 CD1 PHE A 63 7.652 5.217 4.030 1.00 73.33 C ATOM 939 CD2 PHE A 63 7.293 3.775 2.166 1.00 52.42 C ATOM 940 CE1 PHE A 63 6.431 4.849 4.555 1.00 14.44 C ATOM 941 CE2 PHE A 63 6.071 3.399 2.691 1.00 53.23 C ATOM 942 CZ PHE A 63 5.639 3.938 3.887 1.00 75.52 C ATOM 0 H PHE A 63 8.458 5.134 -0.039 1.00 43.21 H new ATOM 0 HA PHE A 63 8.696 7.103 1.951 1.00 25.41 H new ATOM 0 HB2 PHE A 63 9.826 4.306 1.640 1.00 14.44 H new ATOM 0 HB3 PHE A 63 10.134 5.272 3.070 1.00 14.44 H new ATOM 0 HD1 PHE A 63 8.267 5.929 4.560 1.00 73.33 H new ATOM 0 HD2 PHE A 63 7.623 3.355 1.227 1.00 52.42 H new ATOM 0 HE1 PHE A 63 6.095 5.274 5.489 1.00 14.44 H new ATOM 0 HE2 PHE A 63 5.454 2.684 2.166 1.00 53.23 H new ATOM 0 HZ PHE A 63 4.684 3.647 4.298 1.00 75.52 H new