USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0498) USER MOD Single : A 12 ASN : amide:sc= -2.3 K(o=-2.3,f=-6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0697 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= 0.136 (180deg=-0.151) USER MOD Single : A 27 SER OG : rot 87:sc= 0.181 USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= -0.0341 (180deg=-0.245) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.83 X(o=-1.8,f=-2.2) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.381 K(o=-0.38,f=-1.8) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 85:sc= 0.0771 USER MOD Single : A 50 ASN : amide:sc= -3.13 K(o=-3.1,f=-10!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -38:sc= 1.12 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.262 -15.860 -5.989 1.00 44.44 N ATOM 2 CA MET A 1 -1.006 -15.228 -5.601 1.00 22.15 C ATOM 3 C MET A 1 -0.811 -13.907 -6.337 1.00 45.10 C ATOM 4 O MET A 1 0.170 -13.727 -7.058 1.00 30.32 O ATOM 5 CB MET A 1 0.171 -16.163 -5.887 1.00 35.35 C ATOM 6 CG MET A 1 1.426 -15.816 -5.103 1.00 65.15 C ATOM 7 SD MET A 1 1.873 -17.089 -3.907 1.00 62.53 S ATOM 8 CE MET A 1 3.592 -17.365 -4.331 1.00 71.43 C ATOM 0 H1 MET A 1 -2.372 -16.757 -5.475 1.00 44.44 H new ATOM 0 H2 MET A 1 -3.055 -15.228 -5.757 1.00 44.44 H new ATOM 0 H3 MET A 1 -2.256 -16.046 -7.012 1.00 44.44 H new ATOM 0 HA MET A 1 -1.047 -15.024 -4.531 1.00 22.15 H new ATOM 0 HB2 MET A 1 -0.123 -17.186 -5.653 1.00 35.35 H new ATOM 0 HB3 MET A 1 0.398 -16.133 -6.953 1.00 35.35 H new ATOM 0 HG2 MET A 1 2.254 -15.668 -5.797 1.00 65.15 H new ATOM 0 HG3 MET A 1 1.274 -14.871 -4.582 1.00 65.15 H new ATOM 0 HE1 MET A 1 4.010 -18.129 -3.676 1.00 71.43 H new ATOM 0 HE2 MET A 1 3.663 -17.697 -5.367 1.00 71.43 H new ATOM 0 HE3 MET A 1 4.151 -16.437 -4.208 1.00 71.43 H new ATOM 18 N ALA A 2 -1.751 -12.986 -6.151 1.00 33.13 N ATOM 19 CA ALA A 2 -1.681 -11.681 -6.796 1.00 64.25 C ATOM 20 C ALA A 2 -2.117 -10.574 -5.844 1.00 53.11 C ATOM 21 O ALA A 2 -1.318 -9.720 -5.463 1.00 21.45 O ATOM 22 CB ALA A 2 -2.537 -11.667 -8.054 1.00 23.31 C ATOM 0 H ALA A 2 -2.570 -13.120 -5.558 1.00 33.13 H new ATOM 0 HA ALA A 2 -0.643 -11.496 -7.074 1.00 64.25 H new ATOM 0 HB1 ALA A 2 -2.475 -10.686 -8.525 1.00 23.31 H new ATOM 0 HB2 ALA A 2 -2.176 -12.426 -8.748 1.00 23.31 H new ATOM 0 HB3 ALA A 2 -3.573 -11.879 -7.791 1.00 23.31 H new ATOM 28 N GLU A 3 -3.392 -10.592 -5.467 1.00 21.45 N ATOM 29 CA GLU A 3 -3.934 -9.588 -4.559 1.00 75.54 C ATOM 30 C GLU A 3 -3.842 -10.056 -3.110 1.00 73.32 C ATOM 31 O GLU A 3 -3.819 -9.245 -2.185 1.00 2.24 O ATOM 32 CB GLU A 3 -5.390 -9.280 -4.916 1.00 22.45 C ATOM 33 CG GLU A 3 -6.347 -10.417 -4.598 1.00 54.24 C ATOM 34 CD GLU A 3 -7.340 -10.673 -5.716 1.00 73.10 C ATOM 35 OE1 GLU A 3 -8.365 -9.963 -5.774 1.00 12.21 O ATOM 36 OE2 GLU A 3 -7.091 -11.583 -6.534 1.00 22.41 O ATOM 0 H GLU A 3 -4.068 -11.290 -5.776 1.00 21.45 H new ATOM 0 HA GLU A 3 -3.340 -8.680 -4.666 1.00 75.54 H new ATOM 0 HB2 GLU A 3 -5.707 -8.388 -4.376 1.00 22.45 H new ATOM 0 HB3 GLU A 3 -5.454 -9.049 -5.979 1.00 22.45 H new ATOM 0 HG2 GLU A 3 -5.776 -11.326 -4.409 1.00 54.24 H new ATOM 0 HG3 GLU A 3 -6.889 -10.185 -3.681 1.00 54.24 H new ATOM 43 N ALA A 4 -3.790 -11.370 -2.922 1.00 21.32 N ATOM 44 CA ALA A 4 -3.699 -11.948 -1.586 1.00 3.24 C ATOM 45 C ALA A 4 -2.542 -11.337 -0.802 1.00 41.25 C ATOM 46 O ALA A 4 -2.562 -11.302 0.429 1.00 61.44 O ATOM 47 CB ALA A 4 -3.540 -13.459 -1.673 1.00 41.43 C ATOM 0 H ALA A 4 -3.809 -12.055 -3.678 1.00 21.32 H new ATOM 0 HA ALA A 4 -4.624 -11.722 -1.056 1.00 3.24 H new ATOM 0 HB1 ALA A 4 -3.473 -13.876 -0.668 1.00 41.43 H new ATOM 0 HB2 ALA A 4 -4.401 -13.886 -2.187 1.00 41.43 H new ATOM 0 HB3 ALA A 4 -2.632 -13.698 -2.226 1.00 41.43 H new ATOM 53 N LEU A 5 -1.534 -10.856 -1.522 1.00 23.05 N ATOM 54 CA LEU A 5 -0.367 -10.247 -0.894 1.00 30.42 C ATOM 55 C LEU A 5 -0.762 -9.008 -0.097 1.00 41.51 C ATOM 56 O LEU A 5 -0.224 -8.752 0.980 1.00 10.35 O ATOM 57 CB LEU A 5 0.672 -9.877 -1.953 1.00 43.43 C ATOM 58 CG LEU A 5 0.808 -10.846 -3.128 1.00 4.23 C ATOM 59 CD1 LEU A 5 1.985 -10.456 -4.009 1.00 3.03 C ATOM 60 CD2 LEU A 5 0.966 -12.275 -2.625 1.00 53.43 C ATOM 0 H LEU A 5 -1.502 -10.876 -2.541 1.00 23.05 H new ATOM 0 HA LEU A 5 0.067 -10.974 -0.208 1.00 30.42 H new ATOM 0 HB2 LEU A 5 0.424 -8.892 -2.348 1.00 43.43 H new ATOM 0 HB3 LEU A 5 1.643 -9.790 -1.466 1.00 43.43 H new ATOM 0 HG LEU A 5 -0.101 -10.791 -3.727 1.00 4.23 H new ATOM 0 HD11 LEU A 5 2.066 -11.157 -4.840 1.00 3.03 H new ATOM 0 HD12 LEU A 5 1.831 -9.449 -4.397 1.00 3.03 H new ATOM 0 HD13 LEU A 5 2.903 -10.482 -3.422 1.00 3.03 H new ATOM 0 HD21 LEU A 5 1.061 -12.951 -3.474 1.00 53.43 H new ATOM 0 HD22 LEU A 5 1.858 -12.345 -2.003 1.00 53.43 H new ATOM 0 HD23 LEU A 5 0.091 -12.553 -2.037 1.00 53.43 H new ATOM 72 N PHE A 6 -1.707 -8.242 -0.634 1.00 23.53 N ATOM 73 CA PHE A 6 -2.175 -7.030 0.028 1.00 73.24 C ATOM 74 C PHE A 6 -2.783 -7.353 1.389 1.00 60.41 C ATOM 75 O PHE A 6 -2.454 -6.723 2.395 1.00 71.45 O ATOM 76 CB PHE A 6 -3.206 -6.313 -0.847 1.00 20.51 C ATOM 77 CG PHE A 6 -4.045 -5.321 -0.093 1.00 13.41 C ATOM 78 CD1 PHE A 6 -5.123 -5.742 0.668 1.00 50.45 C ATOM 79 CD2 PHE A 6 -3.753 -3.967 -0.145 1.00 74.32 C ATOM 80 CE1 PHE A 6 -5.897 -4.830 1.362 1.00 61.02 C ATOM 81 CE2 PHE A 6 -4.524 -3.051 0.547 1.00 40.03 C ATOM 82 CZ PHE A 6 -5.596 -3.484 1.302 1.00 11.04 C ATOM 0 H PHE A 6 -2.163 -8.439 -1.525 1.00 23.53 H new ATOM 0 HA PHE A 6 -1.318 -6.374 0.180 1.00 73.24 H new ATOM 0 HB2 PHE A 6 -2.689 -5.798 -1.657 1.00 20.51 H new ATOM 0 HB3 PHE A 6 -3.859 -7.055 -1.307 1.00 20.51 H new ATOM 0 HD1 PHE A 6 -5.362 -6.794 0.720 1.00 50.45 H new ATOM 0 HD2 PHE A 6 -2.914 -3.624 -0.732 1.00 74.32 H new ATOM 0 HE1 PHE A 6 -6.736 -5.170 1.950 1.00 61.02 H new ATOM 0 HE2 PHE A 6 -4.288 -1.998 0.497 1.00 40.03 H new ATOM 0 HZ PHE A 6 -6.198 -2.771 1.845 1.00 11.04 H new ATOM 92 N LYS A 7 -3.673 -8.341 1.414 1.00 53.13 N ATOM 93 CA LYS A 7 -4.329 -8.750 2.650 1.00 25.13 C ATOM 94 C LYS A 7 -3.375 -9.552 3.531 1.00 51.14 C ATOM 95 O LYS A 7 -3.518 -9.575 4.753 1.00 4.33 O ATOM 96 CB LYS A 7 -5.574 -9.582 2.340 1.00 74.33 C ATOM 97 CG LYS A 7 -5.639 -10.891 3.108 1.00 50.40 C ATOM 98 CD LYS A 7 -6.879 -11.690 2.744 1.00 10.03 C ATOM 99 CE LYS A 7 -8.074 -11.280 3.591 1.00 33.00 C ATOM 100 NZ LYS A 7 -7.986 -11.823 4.975 1.00 72.42 N ATOM 0 H LYS A 7 -3.956 -8.873 0.591 1.00 53.13 H new ATOM 0 HA LYS A 7 -4.626 -7.851 3.189 1.00 25.13 H new ATOM 0 HB2 LYS A 7 -6.461 -8.992 2.569 1.00 74.33 H new ATOM 0 HB3 LYS A 7 -5.601 -9.796 1.272 1.00 74.33 H new ATOM 0 HG2 LYS A 7 -4.749 -11.483 2.896 1.00 50.40 H new ATOM 0 HG3 LYS A 7 -5.638 -10.686 4.179 1.00 50.40 H new ATOM 0 HD2 LYS A 7 -7.111 -11.543 1.689 1.00 10.03 H new ATOM 0 HD3 LYS A 7 -6.682 -12.753 2.882 1.00 10.03 H new ATOM 0 HE2 LYS A 7 -8.135 -10.192 3.631 1.00 33.00 H new ATOM 0 HE3 LYS A 7 -8.991 -11.633 3.120 1.00 33.00 H new ATOM 0 HZ1 LYS A 7 -8.889 -11.668 5.467 1.00 72.42 H new ATOM 0 HZ2 LYS A 7 -7.784 -12.842 4.936 1.00 72.42 H new ATOM 0 HZ3 LYS A 7 -7.223 -11.338 5.490 1.00 72.42 H new ATOM 114 N GLU A 8 -2.404 -10.206 2.902 1.00 15.11 N ATOM 115 CA GLU A 8 -1.428 -11.008 3.630 1.00 40.10 C ATOM 116 C GLU A 8 -0.562 -10.129 4.528 1.00 55.14 C ATOM 117 O GLU A 8 -0.292 -10.475 5.678 1.00 44.42 O ATOM 118 CB GLU A 8 -0.543 -11.786 2.654 1.00 50.02 C ATOM 119 CG GLU A 8 0.367 -12.796 3.330 1.00 3.03 C ATOM 120 CD GLU A 8 -0.125 -14.222 3.175 1.00 51.32 C ATOM 121 OE1 GLU A 8 -1.343 -14.449 3.339 1.00 71.20 O ATOM 122 OE2 GLU A 8 0.704 -15.110 2.889 1.00 3.13 O ATOM 0 H GLU A 8 -2.272 -10.196 1.891 1.00 15.11 H new ATOM 0 HA GLU A 8 -1.973 -11.714 4.257 1.00 40.10 H new ATOM 0 HB2 GLU A 8 -1.178 -12.305 1.936 1.00 50.02 H new ATOM 0 HB3 GLU A 8 0.067 -11.081 2.089 1.00 50.02 H new ATOM 0 HG2 GLU A 8 1.369 -12.714 2.910 1.00 3.03 H new ATOM 0 HG3 GLU A 8 0.445 -12.556 4.390 1.00 3.03 H new ATOM 129 N ILE A 9 -0.132 -8.991 3.993 1.00 13.44 N ATOM 130 CA ILE A 9 0.701 -8.061 4.746 1.00 24.23 C ATOM 131 C ILE A 9 -0.083 -7.415 5.882 1.00 53.42 C ATOM 132 O ILE A 9 0.496 -6.958 6.869 1.00 72.54 O ATOM 133 CB ILE A 9 1.274 -6.956 3.838 1.00 14.03 C ATOM 134 CG1 ILE A 9 2.218 -7.560 2.797 1.00 3.04 C ATOM 135 CG2 ILE A 9 1.994 -5.907 4.671 1.00 43.30 C ATOM 136 CD1 ILE A 9 3.380 -8.316 3.402 1.00 1.30 C ATOM 0 H ILE A 9 -0.346 -8.691 3.042 1.00 13.44 H new ATOM 0 HA ILE A 9 1.525 -8.642 5.162 1.00 24.23 H new ATOM 0 HB ILE A 9 0.450 -6.472 3.314 1.00 14.03 H new ATOM 0 HG12 ILE A 9 1.653 -8.234 2.153 1.00 3.04 H new ATOM 0 HG13 ILE A 9 2.605 -6.762 2.163 1.00 3.04 H new ATOM 0 HG21 ILE A 9 2.393 -5.133 4.015 1.00 43.30 H new ATOM 0 HG22 ILE A 9 1.294 -5.459 5.377 1.00 43.30 H new ATOM 0 HG23 ILE A 9 2.811 -6.376 5.219 1.00 43.30 H new ATOM 0 HD11 ILE A 9 4.007 -8.717 2.606 1.00 1.30 H new ATOM 0 HD12 ILE A 9 3.969 -7.641 4.023 1.00 1.30 H new ATOM 0 HD13 ILE A 9 3.002 -9.135 4.013 1.00 1.30 H new ATOM 148 N ASP A 10 -1.403 -7.380 5.737 1.00 34.13 N ATOM 149 CA ASP A 10 -2.269 -6.792 6.753 1.00 23.15 C ATOM 150 C ASP A 10 -2.520 -7.777 7.890 1.00 62.45 C ATOM 151 O ASP A 10 -3.582 -8.395 7.966 1.00 72.50 O ATOM 152 CB ASP A 10 -3.599 -6.359 6.133 1.00 65.11 C ATOM 153 CG ASP A 10 -3.682 -4.859 5.933 1.00 75.44 C ATOM 154 OD1 ASP A 10 -3.177 -4.116 6.799 1.00 15.00 O ATOM 155 OD2 ASP A 10 -4.256 -4.428 4.910 1.00 32.42 O ATOM 0 H ASP A 10 -1.897 -7.752 4.926 1.00 34.13 H new ATOM 0 HA ASP A 10 -1.765 -5.916 7.161 1.00 23.15 H new ATOM 0 HB2 ASP A 10 -3.729 -6.859 5.173 1.00 65.11 H new ATOM 0 HB3 ASP A 10 -4.418 -6.683 6.774 1.00 65.11 H new ATOM 160 N VAL A 11 -1.535 -7.921 8.771 1.00 74.23 N ATOM 161 CA VAL A 11 -1.650 -8.831 9.904 1.00 24.31 C ATOM 162 C VAL A 11 -2.765 -8.396 10.849 1.00 45.35 C ATOM 163 O VAL A 11 -3.218 -9.172 11.689 1.00 54.22 O ATOM 164 CB VAL A 11 -0.328 -8.917 10.691 1.00 32.11 C ATOM 165 CG1 VAL A 11 -0.403 -10.014 11.741 1.00 20.25 C ATOM 166 CG2 VAL A 11 0.840 -9.152 9.745 1.00 1.40 C ATOM 0 H VAL A 11 -0.648 -7.419 8.722 1.00 74.23 H new ATOM 0 HA VAL A 11 -1.887 -9.814 9.497 1.00 24.31 H new ATOM 0 HB VAL A 11 -0.167 -7.968 11.202 1.00 32.11 H new ATOM 0 HG11 VAL A 11 0.539 -10.060 12.287 1.00 20.25 H new ATOM 0 HG12 VAL A 11 -1.215 -9.798 12.436 1.00 20.25 H new ATOM 0 HG13 VAL A 11 -0.588 -10.972 11.254 1.00 20.25 H new ATOM 0 HG21 VAL A 11 1.766 -9.210 10.317 1.00 1.40 H new ATOM 0 HG22 VAL A 11 0.688 -10.086 9.205 1.00 1.40 H new ATOM 0 HG23 VAL A 11 0.904 -8.328 9.034 1.00 1.40 H new ATOM 176 N ASN A 12 -3.201 -7.148 10.705 1.00 62.43 N ATOM 177 CA ASN A 12 -4.263 -6.609 11.546 1.00 2.32 C ATOM 178 C ASN A 12 -5.636 -7.004 11.010 1.00 44.14 C ATOM 179 O ASN A 12 -6.663 -6.665 11.594 1.00 15.44 O ATOM 180 CB ASN A 12 -4.154 -5.085 11.627 1.00 44.33 C ATOM 181 CG ASN A 12 -3.853 -4.455 10.281 1.00 45.51 C ATOM 182 OD1 ASN A 12 -4.167 -5.022 9.233 1.00 51.30 O ATOM 183 ND2 ASN A 12 -3.240 -3.277 10.302 1.00 61.32 N ATOM 0 H ASN A 12 -2.835 -6.492 10.015 1.00 62.43 H new ATOM 0 HA ASN A 12 -4.149 -7.029 12.545 1.00 2.32 H new ATOM 0 HB2 ASN A 12 -5.087 -4.677 12.016 1.00 44.33 H new ATOM 0 HB3 ASN A 12 -3.369 -4.817 12.334 1.00 44.33 H new ATOM 0 HD21 ASN A 12 -3.011 -2.806 9.427 1.00 61.32 H new ATOM 0 HD22 ASN A 12 -2.998 -2.844 11.193 1.00 61.32 H new ATOM 190 N GLY A 13 -5.643 -7.725 9.892 1.00 13.53 N ATOM 191 CA GLY A 13 -6.894 -8.155 9.296 1.00 35.21 C ATOM 192 C GLY A 13 -7.885 -7.018 9.144 1.00 1.44 C ATOM 193 O GLY A 13 -9.062 -7.162 9.476 1.00 23.41 O ATOM 0 H GLY A 13 -4.805 -8.018 9.389 1.00 13.53 H new ATOM 0 HA2 GLY A 13 -6.695 -8.593 8.318 1.00 35.21 H new ATOM 0 HA3 GLY A 13 -7.336 -8.938 9.912 1.00 35.21 H new ATOM 197 N ASP A 14 -7.409 -5.883 8.643 1.00 13.14 N ATOM 198 CA ASP A 14 -8.261 -4.716 8.448 1.00 12.41 C ATOM 199 C ASP A 14 -8.607 -4.536 6.973 1.00 32.35 C ATOM 200 O ASP A 14 -9.533 -3.803 6.628 1.00 43.23 O ATOM 201 CB ASP A 14 -7.571 -3.459 8.980 1.00 23.32 C ATOM 202 CG ASP A 14 -6.181 -3.274 8.402 1.00 4.41 C ATOM 203 OD1 ASP A 14 -5.836 -3.994 7.441 1.00 32.45 O ATOM 204 OD2 ASP A 14 -5.438 -2.408 8.910 1.00 64.23 O ATOM 0 H ASP A 14 -6.437 -5.747 8.365 1.00 13.14 H new ATOM 0 HA ASP A 14 -9.186 -4.875 9.003 1.00 12.41 H new ATOM 0 HB2 ASP A 14 -8.179 -2.586 8.743 1.00 23.32 H new ATOM 0 HB3 ASP A 14 -7.505 -3.516 10.067 1.00 23.32 H new ATOM 209 N GLY A 15 -7.857 -5.210 6.108 1.00 64.21 N ATOM 210 CA GLY A 15 -8.099 -5.110 4.681 1.00 60.21 C ATOM 211 C GLY A 15 -7.685 -3.767 4.115 1.00 73.05 C ATOM 212 O GLY A 15 -8.025 -3.432 2.980 1.00 11.00 O ATOM 0 H GLY A 15 -7.086 -5.824 6.370 1.00 64.21 H new ATOM 0 HA2 GLY A 15 -7.553 -5.901 4.167 1.00 60.21 H new ATOM 0 HA3 GLY A 15 -9.158 -5.273 4.483 1.00 60.21 H new ATOM 216 N ALA A 16 -6.951 -2.993 4.907 1.00 22.25 N ATOM 217 CA ALA A 16 -6.489 -1.678 4.479 1.00 20.31 C ATOM 218 C ALA A 16 -5.020 -1.471 4.831 1.00 15.44 C ATOM 219 O ALA A 16 -4.566 -1.869 5.904 1.00 42.10 O ATOM 220 CB ALA A 16 -7.345 -0.589 5.108 1.00 13.35 C ATOM 0 H ALA A 16 -6.663 -3.254 5.850 1.00 22.25 H new ATOM 0 HA ALA A 16 -6.586 -1.620 3.395 1.00 20.31 H new ATOM 0 HB1 ALA A 16 -6.990 0.388 4.780 1.00 13.35 H new ATOM 0 HB2 ALA A 16 -8.383 -0.719 4.801 1.00 13.35 H new ATOM 0 HB3 ALA A 16 -7.277 -0.654 6.194 1.00 13.35 H new ATOM 226 N VAL A 17 -4.282 -0.844 3.921 1.00 5.24 N ATOM 227 CA VAL A 17 -2.864 -0.582 4.136 1.00 25.33 C ATOM 228 C VAL A 17 -2.554 0.906 4.012 1.00 24.21 C ATOM 229 O VAL A 17 -2.725 1.499 2.947 1.00 43.21 O ATOM 230 CB VAL A 17 -1.990 -1.362 3.135 1.00 75.44 C ATOM 231 CG1 VAL A 17 -2.154 -2.861 3.338 1.00 12.31 C ATOM 232 CG2 VAL A 17 -2.338 -0.969 1.707 1.00 13.01 C ATOM 0 H VAL A 17 -4.642 -0.508 3.028 1.00 5.24 H new ATOM 0 HA VAL A 17 -2.631 -0.916 5.147 1.00 25.33 H new ATOM 0 HB VAL A 17 -0.946 -1.107 3.315 1.00 75.44 H new ATOM 0 HG11 VAL A 17 -1.529 -3.396 2.622 1.00 12.31 H new ATOM 0 HG12 VAL A 17 -1.853 -3.126 4.351 1.00 12.31 H new ATOM 0 HG13 VAL A 17 -3.197 -3.137 3.186 1.00 12.31 H new ATOM 0 HG21 VAL A 17 -1.712 -1.529 1.013 1.00 13.01 H new ATOM 0 HG22 VAL A 17 -3.387 -1.195 1.513 1.00 13.01 H new ATOM 0 HG23 VAL A 17 -2.165 0.099 1.571 1.00 13.01 H new ATOM 242 N SER A 18 -2.098 1.503 5.108 1.00 33.12 N ATOM 243 CA SER A 18 -1.767 2.923 5.124 1.00 54.10 C ATOM 244 C SER A 18 -0.344 3.155 4.627 1.00 45.21 C ATOM 245 O SER A 18 0.376 2.208 4.308 1.00 43.21 O ATOM 246 CB SER A 18 -1.926 3.490 6.536 1.00 0.43 C ATOM 247 OG SER A 18 -2.011 2.451 7.496 1.00 63.44 O ATOM 0 H SER A 18 -1.949 1.025 5.997 1.00 33.12 H new ATOM 0 HA SER A 18 -2.455 3.439 4.454 1.00 54.10 H new ATOM 0 HB2 SER A 18 -1.080 4.136 6.769 1.00 0.43 H new ATOM 0 HB3 SER A 18 -2.822 4.108 6.584 1.00 0.43 H new ATOM 0 HG SER A 18 -2.110 2.839 8.390 1.00 63.44 H new ATOM 253 N TYR A 19 0.056 4.421 4.564 1.00 33.44 N ATOM 254 CA TYR A 19 1.392 4.778 4.104 1.00 13.42 C ATOM 255 C TYR A 19 2.449 3.902 4.769 1.00 5.34 C ATOM 256 O TYR A 19 3.407 3.472 4.127 1.00 23.41 O ATOM 257 CB TYR A 19 1.677 6.252 4.397 1.00 31.02 C ATOM 258 CG TYR A 19 1.695 6.585 5.872 1.00 21.44 C ATOM 259 CD1 TYR A 19 0.519 6.870 6.555 1.00 63.24 C ATOM 260 CD2 TYR A 19 2.889 6.614 6.583 1.00 20.21 C ATOM 261 CE1 TYR A 19 0.531 7.174 7.902 1.00 13.03 C ATOM 262 CE2 TYR A 19 2.910 6.916 7.931 1.00 72.40 C ATOM 263 CZ TYR A 19 1.729 7.195 8.586 1.00 75.13 C ATOM 264 OH TYR A 19 1.745 7.498 9.928 1.00 3.03 O ATOM 0 H TYR A 19 -0.526 5.216 4.826 1.00 33.44 H new ATOM 0 HA TYR A 19 1.435 4.613 3.027 1.00 13.42 H new ATOM 0 HB2 TYR A 19 2.639 6.521 3.961 1.00 31.02 H new ATOM 0 HB3 TYR A 19 0.922 6.864 3.904 1.00 31.02 H new ATOM 0 HD1 TYR A 19 -0.421 6.853 6.023 1.00 63.24 H new ATOM 0 HD2 TYR A 19 3.816 6.397 6.073 1.00 20.21 H new ATOM 0 HE1 TYR A 19 -0.392 7.394 8.417 1.00 13.03 H new ATOM 0 HE2 TYR A 19 3.846 6.933 8.469 1.00 72.40 H new ATOM 0 HH TYR A 19 2.667 7.469 10.259 1.00 3.03 H new ATOM 274 N GLU A 20 2.269 3.644 6.061 1.00 34.30 N ATOM 275 CA GLU A 20 3.206 2.820 6.813 1.00 23.43 C ATOM 276 C GLU A 20 3.253 1.400 6.256 1.00 71.21 C ATOM 277 O GLU A 20 4.327 0.856 6.003 1.00 2.24 O ATOM 278 CB GLU A 20 2.818 2.786 8.292 1.00 15.12 C ATOM 279 CG GLU A 20 3.716 3.633 9.178 1.00 62.13 C ATOM 280 CD GLU A 20 3.867 3.061 10.574 1.00 73.12 C ATOM 281 OE1 GLU A 20 2.861 3.024 11.313 1.00 75.41 O ATOM 282 OE2 GLU A 20 4.992 2.650 10.928 1.00 74.42 O ATOM 0 H GLU A 20 1.482 3.994 6.608 1.00 34.30 H new ATOM 0 HA GLU A 20 4.197 3.263 6.715 1.00 23.43 H new ATOM 0 HB2 GLU A 20 1.789 3.131 8.397 1.00 15.12 H new ATOM 0 HB3 GLU A 20 2.846 1.754 8.642 1.00 15.12 H new ATOM 0 HG2 GLU A 20 4.700 3.718 8.716 1.00 62.13 H new ATOM 0 HG3 GLU A 20 3.307 4.641 9.245 1.00 62.13 H new ATOM 289 N GLU A 21 2.079 0.806 6.067 1.00 74.43 N ATOM 290 CA GLU A 21 1.985 -0.551 5.541 1.00 73.12 C ATOM 291 C GLU A 21 2.722 -0.670 4.211 1.00 44.13 C ATOM 292 O GLU A 21 3.430 -1.648 3.967 1.00 72.24 O ATOM 293 CB GLU A 21 0.519 -0.952 5.362 1.00 54.15 C ATOM 294 CG GLU A 21 -0.218 -1.168 6.672 1.00 51.44 C ATOM 295 CD GLU A 21 -0.596 -2.619 6.897 1.00 11.45 C ATOM 296 OE1 GLU A 21 -0.892 -3.316 5.905 1.00 65.11 O ATOM 297 OE2 GLU A 21 -0.595 -3.057 8.068 1.00 43.15 O ATOM 0 H GLU A 21 1.180 1.243 6.270 1.00 74.43 H new ATOM 0 HA GLU A 21 2.453 -1.225 6.258 1.00 73.12 H new ATOM 0 HB2 GLU A 21 0.007 -0.178 4.790 1.00 54.15 H new ATOM 0 HB3 GLU A 21 0.471 -1.868 4.773 1.00 54.15 H new ATOM 0 HG2 GLU A 21 0.408 -0.828 7.497 1.00 51.44 H new ATOM 0 HG3 GLU A 21 -1.120 -0.556 6.682 1.00 51.44 H new ATOM 304 N VAL A 22 2.552 0.331 3.354 1.00 2.02 N ATOM 305 CA VAL A 22 3.203 0.339 2.048 1.00 14.33 C ATOM 306 C VAL A 22 4.720 0.323 2.190 1.00 33.45 C ATOM 307 O VAL A 22 5.398 -0.539 1.630 1.00 43.45 O ATOM 308 CB VAL A 22 2.788 1.572 1.224 1.00 43.41 C ATOM 309 CG1 VAL A 22 3.624 1.673 -0.044 1.00 24.22 C ATOM 310 CG2 VAL A 22 1.305 1.517 0.891 1.00 32.12 C ATOM 0 H VAL A 22 1.969 1.147 3.540 1.00 2.02 H new ATOM 0 HA VAL A 22 2.881 -0.563 1.527 1.00 14.33 H new ATOM 0 HB VAL A 22 2.969 2.465 1.823 1.00 43.41 H new ATOM 0 HG11 VAL A 22 3.317 2.550 -0.614 1.00 24.22 H new ATOM 0 HG12 VAL A 22 4.677 1.763 0.221 1.00 24.22 H new ATOM 0 HG13 VAL A 22 3.477 0.778 -0.649 1.00 24.22 H new ATOM 0 HG21 VAL A 22 1.030 2.396 0.309 1.00 32.12 H new ATOM 0 HG22 VAL A 22 1.095 0.618 0.312 1.00 32.12 H new ATOM 0 HG23 VAL A 22 0.725 1.497 1.814 1.00 32.12 H new ATOM 320 N LYS A 23 5.250 1.280 2.945 1.00 74.14 N ATOM 321 CA LYS A 23 6.688 1.376 3.163 1.00 32.34 C ATOM 322 C LYS A 23 7.238 0.073 3.736 1.00 44.32 C ATOM 323 O LYS A 23 8.369 -0.316 3.442 1.00 54.11 O ATOM 324 CB LYS A 23 7.004 2.536 4.110 1.00 32.44 C ATOM 325 CG LYS A 23 6.767 3.905 3.496 1.00 22.55 C ATOM 326 CD LYS A 23 8.060 4.690 3.369 1.00 3.33 C ATOM 327 CE LYS A 23 8.905 4.190 2.207 1.00 42.43 C ATOM 328 NZ LYS A 23 10.018 3.314 2.666 1.00 21.05 N ATOM 0 H LYS A 23 4.704 2.001 3.417 1.00 74.14 H new ATOM 0 HA LYS A 23 7.166 1.560 2.201 1.00 32.34 H new ATOM 0 HB2 LYS A 23 6.392 2.439 5.007 1.00 32.44 H new ATOM 0 HB3 LYS A 23 8.045 2.464 4.425 1.00 32.44 H new ATOM 0 HG2 LYS A 23 6.312 3.790 2.512 1.00 22.55 H new ATOM 0 HG3 LYS A 23 6.060 4.463 4.110 1.00 22.55 H new ATOM 0 HD2 LYS A 23 7.833 5.746 3.227 1.00 3.33 H new ATOM 0 HD3 LYS A 23 8.629 4.608 4.295 1.00 3.33 H new ATOM 0 HE2 LYS A 23 8.274 3.639 1.510 1.00 42.43 H new ATOM 0 HE3 LYS A 23 9.314 5.041 1.663 1.00 42.43 H new ATOM 0 HZ1 LYS A 23 10.861 3.490 2.083 1.00 21.05 H new ATOM 0 HZ2 LYS A 23 10.236 3.522 3.661 1.00 21.05 H new ATOM 0 HZ3 LYS A 23 9.736 2.317 2.575 1.00 21.05 H new ATOM 342 N ALA A 24 6.433 -0.597 4.552 1.00 73.40 N ATOM 343 CA ALA A 24 6.839 -1.857 5.162 1.00 20.34 C ATOM 344 C ALA A 24 6.959 -2.960 4.116 1.00 54.05 C ATOM 345 O ALA A 24 7.922 -3.727 4.115 1.00 51.12 O ATOM 346 CB ALA A 24 5.851 -2.261 6.248 1.00 45.43 C ATOM 0 H ALA A 24 5.495 -0.288 4.807 1.00 73.40 H new ATOM 0 HA ALA A 24 7.820 -1.713 5.614 1.00 20.34 H new ATOM 0 HB1 ALA A 24 6.167 -3.204 6.695 1.00 45.43 H new ATOM 0 HB2 ALA A 24 5.819 -1.488 7.016 1.00 45.43 H new ATOM 0 HB3 ALA A 24 4.859 -2.381 5.812 1.00 45.43 H new ATOM 352 N PHE A 25 5.973 -3.035 3.227 1.00 13.11 N ATOM 353 CA PHE A 25 5.967 -4.046 2.176 1.00 52.41 C ATOM 354 C PHE A 25 7.292 -4.050 1.419 1.00 71.24 C ATOM 355 O PHE A 25 7.932 -5.092 1.273 1.00 44.45 O ATOM 356 CB PHE A 25 4.811 -3.795 1.205 1.00 5.35 C ATOM 357 CG PHE A 25 4.235 -5.053 0.621 1.00 41.10 C ATOM 358 CD1 PHE A 25 5.018 -6.188 0.478 1.00 12.30 C ATOM 359 CD2 PHE A 25 2.912 -5.101 0.215 1.00 73.43 C ATOM 360 CE1 PHE A 25 4.490 -7.348 -0.059 1.00 11.45 C ATOM 361 CE2 PHE A 25 2.379 -6.258 -0.321 1.00 72.43 C ATOM 362 CZ PHE A 25 3.169 -7.383 -0.459 1.00 41.44 C ATOM 0 H PHE A 25 5.169 -2.408 3.214 1.00 13.11 H new ATOM 0 HA PHE A 25 5.833 -5.021 2.644 1.00 52.41 H new ATOM 0 HB2 PHE A 25 4.022 -3.251 1.725 1.00 5.35 H new ATOM 0 HB3 PHE A 25 5.160 -3.154 0.395 1.00 5.35 H new ATOM 0 HD1 PHE A 25 6.052 -6.166 0.789 1.00 12.30 H new ATOM 0 HD2 PHE A 25 2.290 -4.224 0.318 1.00 73.43 H new ATOM 0 HE1 PHE A 25 5.110 -8.226 -0.165 1.00 11.45 H new ATOM 0 HE2 PHE A 25 1.345 -6.283 -0.632 1.00 72.43 H new ATOM 0 HZ PHE A 25 2.754 -8.288 -0.879 1.00 41.44 H new ATOM 372 N VAL A 26 7.696 -2.879 0.938 1.00 60.20 N ATOM 373 CA VAL A 26 8.944 -2.746 0.195 1.00 71.50 C ATOM 374 C VAL A 26 10.149 -2.945 1.107 1.00 41.33 C ATOM 375 O VAL A 26 11.206 -3.396 0.667 1.00 44.25 O ATOM 376 CB VAL A 26 9.049 -1.369 -0.485 1.00 33.14 C ATOM 377 CG1 VAL A 26 9.774 -0.382 0.418 1.00 10.31 C ATOM 378 CG2 VAL A 26 9.751 -1.490 -1.829 1.00 75.41 C ATOM 0 H VAL A 26 7.177 -2.008 1.049 1.00 60.20 H new ATOM 0 HA VAL A 26 8.940 -3.521 -0.572 1.00 71.50 H new ATOM 0 HB VAL A 26 8.041 -0.992 -0.661 1.00 33.14 H new ATOM 0 HG11 VAL A 26 9.839 0.586 -0.079 1.00 10.31 H new ATOM 0 HG12 VAL A 26 9.225 -0.274 1.353 1.00 10.31 H new ATOM 0 HG13 VAL A 26 10.778 -0.750 0.627 1.00 10.31 H new ATOM 0 HG21 VAL A 26 9.816 -0.507 -2.295 1.00 75.41 H new ATOM 0 HG22 VAL A 26 10.755 -1.889 -1.681 1.00 75.41 H new ATOM 0 HG23 VAL A 26 9.186 -2.161 -2.476 1.00 75.41 H new ATOM 388 N SER A 27 9.983 -2.605 2.382 1.00 71.42 N ATOM 389 CA SER A 27 11.058 -2.742 3.356 1.00 64.44 C ATOM 390 C SER A 27 11.422 -4.211 3.561 1.00 15.14 C ATOM 391 O SER A 27 12.518 -4.533 4.019 1.00 70.54 O ATOM 392 CB SER A 27 10.650 -2.115 4.690 1.00 63.10 C ATOM 393 OG SER A 27 11.035 -0.753 4.752 1.00 30.02 O ATOM 0 H SER A 27 9.113 -2.233 2.764 1.00 71.42 H new ATOM 0 HA SER A 27 11.933 -2.219 2.970 1.00 64.44 H new ATOM 0 HB2 SER A 27 9.571 -2.197 4.819 1.00 63.10 H new ATOM 0 HB3 SER A 27 11.112 -2.665 5.510 1.00 63.10 H new ATOM 0 HG SER A 27 10.329 -0.195 4.364 1.00 30.02 H new ATOM 399 N LYS A 28 10.492 -5.096 3.219 1.00 44.20 N ATOM 400 CA LYS A 28 10.712 -6.531 3.363 1.00 54.21 C ATOM 401 C LYS A 28 11.720 -7.033 2.334 1.00 10.34 C ATOM 402 O LYS A 28 12.159 -8.182 2.390 1.00 14.31 O ATOM 403 CB LYS A 28 9.390 -7.287 3.210 1.00 24.40 C ATOM 404 CG LYS A 28 8.491 -7.194 4.430 1.00 30.34 C ATOM 405 CD LYS A 28 9.105 -7.895 5.631 1.00 75.11 C ATOM 406 CE LYS A 28 9.315 -9.378 5.363 1.00 51.35 C ATOM 407 NZ LYS A 28 10.731 -9.684 5.019 1.00 11.03 N ATOM 0 H LYS A 28 9.579 -4.845 2.840 1.00 44.20 H new ATOM 0 HA LYS A 28 11.115 -6.714 4.359 1.00 54.21 H new ATOM 0 HB2 LYS A 28 8.855 -6.895 2.345 1.00 24.40 H new ATOM 0 HB3 LYS A 28 9.603 -8.336 3.005 1.00 24.40 H new ATOM 0 HG2 LYS A 28 8.312 -6.146 4.672 1.00 30.34 H new ATOM 0 HG3 LYS A 28 7.522 -7.639 4.204 1.00 30.34 H new ATOM 0 HD2 LYS A 28 10.060 -7.430 5.877 1.00 75.11 H new ATOM 0 HD3 LYS A 28 8.457 -7.769 6.498 1.00 75.11 H new ATOM 0 HE2 LYS A 28 9.023 -9.951 6.243 1.00 51.35 H new ATOM 0 HE3 LYS A 28 8.666 -9.695 4.547 1.00 51.35 H new ATOM 0 HZ1 LYS A 28 10.758 -10.402 4.267 1.00 11.03 H new ATOM 0 HZ2 LYS A 28 11.203 -8.818 4.688 1.00 11.03 H new ATOM 0 HZ3 LYS A 28 11.223 -10.045 5.861 1.00 11.03 H new ATOM 421 N LYS A 29 12.085 -6.165 1.398 1.00 53.35 N ATOM 422 CA LYS A 29 13.044 -6.518 0.358 1.00 13.33 C ATOM 423 C LYS A 29 14.394 -5.854 0.614 1.00 71.40 C ATOM 424 O LYS A 29 15.443 -6.470 0.428 1.00 40.22 O ATOM 425 CB LYS A 29 12.512 -6.104 -1.016 1.00 42.25 C ATOM 426 CG LYS A 29 11.029 -6.372 -1.201 1.00 74.51 C ATOM 427 CD LYS A 29 10.679 -7.816 -0.879 1.00 14.34 C ATOM 428 CE LYS A 29 11.422 -8.785 -1.785 1.00 14.21 C ATOM 429 NZ LYS A 29 10.579 -9.955 -2.156 1.00 22.44 N ATOM 0 H LYS A 29 11.731 -5.210 1.338 1.00 53.35 H new ATOM 0 HA LYS A 29 13.182 -7.599 0.377 1.00 13.33 H new ATOM 0 HB2 LYS A 29 12.702 -5.041 -1.164 1.00 42.25 H new ATOM 0 HB3 LYS A 29 13.068 -6.637 -1.787 1.00 42.25 H new ATOM 0 HG2 LYS A 29 10.455 -5.705 -0.558 1.00 74.51 H new ATOM 0 HG3 LYS A 29 10.743 -6.148 -2.229 1.00 74.51 H new ATOM 0 HD2 LYS A 29 10.925 -8.028 0.162 1.00 14.34 H new ATOM 0 HD3 LYS A 29 9.605 -7.964 -0.989 1.00 14.34 H new ATOM 0 HE2 LYS A 29 11.740 -8.266 -2.689 1.00 14.21 H new ATOM 0 HE3 LYS A 29 12.325 -9.133 -1.282 1.00 14.21 H new ATOM 0 HZ1 LYS A 29 11.122 -10.592 -2.774 1.00 22.44 H new ATOM 0 HZ2 LYS A 29 10.296 -10.466 -1.295 1.00 22.44 H new ATOM 0 HZ3 LYS A 29 9.730 -9.626 -2.658 1.00 22.44 H new ATOM 443 N ARG A 30 14.358 -4.597 1.042 1.00 34.43 N ATOM 444 CA ARG A 30 15.578 -3.851 1.325 1.00 60.14 C ATOM 445 C ARG A 30 15.295 -2.678 2.258 1.00 54.45 C ATOM 446 O ARG A 30 14.187 -2.536 2.775 1.00 44.33 O ATOM 447 CB ARG A 30 16.202 -3.342 0.024 1.00 65.22 C ATOM 448 CG ARG A 30 15.179 -2.936 -1.024 1.00 74.15 C ATOM 449 CD ARG A 30 14.209 -1.897 -0.482 1.00 1.32 C ATOM 450 NE ARG A 30 13.743 -0.987 -1.526 1.00 14.24 N ATOM 451 CZ ARG A 30 12.963 -1.363 -2.533 1.00 22.40 C ATOM 452 NH1 ARG A 30 12.565 -2.623 -2.633 1.00 61.44 N ATOM 453 NH2 ARG A 30 12.579 -0.477 -3.443 1.00 21.23 N ATOM 0 H ARG A 30 13.497 -4.073 1.201 1.00 34.43 H new ATOM 0 HA ARG A 30 16.279 -4.524 1.819 1.00 60.14 H new ATOM 0 HB2 ARG A 30 16.840 -2.487 0.247 1.00 65.22 H new ATOM 0 HB3 ARG A 30 16.844 -4.120 -0.390 1.00 65.22 H new ATOM 0 HG2 ARG A 30 15.692 -2.536 -1.899 1.00 74.15 H new ATOM 0 HG3 ARG A 30 14.626 -3.815 -1.354 1.00 74.15 H new ATOM 0 HD2 ARG A 30 13.354 -2.400 -0.031 1.00 1.32 H new ATOM 0 HD3 ARG A 30 14.695 -1.324 0.308 1.00 1.32 H new ATOM 0 HE ARG A 30 14.032 -0.010 -1.479 1.00 14.24 H new ATOM 0 HH11 ARG A 30 12.858 -3.307 -1.935 1.00 61.44 H new ATOM 0 HH12 ARG A 30 11.966 -2.909 -3.408 1.00 61.44 H new ATOM 0 HH21 ARG A 30 12.883 0.494 -3.370 1.00 21.23 H new ATOM 0 HH22 ARG A 30 11.980 -0.767 -4.216 1.00 21.23 H new ATOM 467 N ALA A 31 16.304 -1.840 2.470 1.00 45.10 N ATOM 468 CA ALA A 31 16.164 -0.678 3.339 1.00 74.41 C ATOM 469 C ALA A 31 16.320 0.618 2.553 1.00 10.31 C ATOM 470 O ALA A 31 17.436 1.090 2.332 1.00 14.35 O ATOM 471 CB ALA A 31 17.181 -0.739 4.469 1.00 3.35 C ATOM 0 H ALA A 31 17.228 -1.944 2.051 1.00 45.10 H new ATOM 0 HA ALA A 31 15.161 -0.693 3.766 1.00 74.41 H new ATOM 0 HB1 ALA A 31 17.065 0.135 5.110 1.00 3.35 H new ATOM 0 HB2 ALA A 31 17.019 -1.643 5.055 1.00 3.35 H new ATOM 0 HB3 ALA A 31 18.188 -0.752 4.052 1.00 3.35 H new ATOM 477 N ILE A 32 15.197 1.189 2.132 1.00 74.52 N ATOM 478 CA ILE A 32 15.210 2.431 1.370 1.00 63.12 C ATOM 479 C ILE A 32 14.170 3.413 1.901 1.00 44.01 C ATOM 480 O ILE A 32 12.977 3.281 1.624 1.00 64.22 O ATOM 481 CB ILE A 32 14.944 2.178 -0.126 1.00 3.43 C ATOM 482 CG1 ILE A 32 16.038 1.287 -0.716 1.00 62.40 C ATOM 483 CG2 ILE A 32 14.863 3.496 -0.880 1.00 14.53 C ATOM 484 CD1 ILE A 32 17.410 1.924 -0.704 1.00 12.02 C ATOM 0 H ILE A 32 14.266 0.811 2.306 1.00 74.52 H new ATOM 0 HA ILE A 32 16.205 2.861 1.486 1.00 63.12 H new ATOM 0 HB ILE A 32 13.988 1.664 -0.229 1.00 3.43 H new ATOM 0 HG12 ILE A 32 16.075 0.353 -0.156 1.00 62.40 H new ATOM 0 HG13 ILE A 32 15.774 1.033 -1.742 1.00 62.40 H new ATOM 0 HG21 ILE A 32 14.675 3.300 -1.936 1.00 14.53 H new ATOM 0 HG22 ILE A 32 14.052 4.099 -0.472 1.00 14.53 H new ATOM 0 HG23 ILE A 32 15.805 4.035 -0.773 1.00 14.53 H new ATOM 0 HD11 ILE A 32 18.135 1.235 -1.137 1.00 12.02 H new ATOM 0 HD12 ILE A 32 17.389 2.844 -1.289 1.00 12.02 H new ATOM 0 HD13 ILE A 32 17.696 2.153 0.323 1.00 12.02 H new ATOM 496 N LYS A 33 14.630 4.398 2.664 1.00 45.21 N ATOM 497 CA LYS A 33 13.741 5.405 3.231 1.00 11.35 C ATOM 498 C LYS A 33 13.387 6.466 2.194 1.00 64.44 C ATOM 499 O LYS A 33 14.213 7.310 1.850 1.00 51.40 O ATOM 500 CB LYS A 33 14.395 6.065 4.447 1.00 5.13 C ATOM 501 CG LYS A 33 15.787 6.606 4.171 1.00 61.11 C ATOM 502 CD LYS A 33 15.841 8.116 4.330 1.00 32.11 C ATOM 503 CE LYS A 33 16.447 8.514 5.667 1.00 5.23 C ATOM 504 NZ LYS A 33 15.402 8.842 6.676 1.00 61.44 N ATOM 0 H LYS A 33 15.614 4.521 2.904 1.00 45.21 H new ATOM 0 HA LYS A 33 12.823 4.907 3.544 1.00 11.35 H new ATOM 0 HB2 LYS A 33 13.760 6.880 4.793 1.00 5.13 H new ATOM 0 HB3 LYS A 33 14.451 5.339 5.258 1.00 5.13 H new ATOM 0 HG2 LYS A 33 16.500 6.142 4.852 1.00 61.11 H new ATOM 0 HG3 LYS A 33 16.090 6.335 3.160 1.00 61.11 H new ATOM 0 HD2 LYS A 33 16.429 8.547 3.520 1.00 32.11 H new ATOM 0 HD3 LYS A 33 14.835 8.528 4.248 1.00 32.11 H new ATOM 0 HE2 LYS A 33 17.069 7.700 6.040 1.00 5.23 H new ATOM 0 HE3 LYS A 33 17.100 9.376 5.527 1.00 5.23 H new ATOM 0 HZ1 LYS A 33 15.857 9.108 7.573 1.00 61.44 H new ATOM 0 HZ2 LYS A 33 14.824 9.635 6.332 1.00 61.44 H new ATOM 0 HZ3 LYS A 33 14.794 8.012 6.829 1.00 61.44 H new ATOM 518 N ASN A 34 12.154 6.416 1.700 1.00 63.32 N ATOM 519 CA ASN A 34 11.692 7.373 0.702 1.00 71.43 C ATOM 520 C ASN A 34 10.457 8.121 1.197 1.00 25.41 C ATOM 521 O ASN A 34 9.345 7.597 1.158 1.00 62.41 O ATOM 522 CB ASN A 34 11.374 6.658 -0.613 1.00 21.40 C ATOM 523 CG ASN A 34 12.610 6.063 -1.260 1.00 45.21 C ATOM 524 OD1 ASN A 34 13.733 6.488 -0.987 1.00 64.40 O ATOM 525 ND2 ASN A 34 12.408 5.075 -2.124 1.00 21.11 N ATOM 0 H ASN A 34 11.458 5.723 1.975 1.00 63.32 H new ATOM 0 HA ASN A 34 12.490 8.095 0.532 1.00 71.43 H new ATOM 0 HB2 ASN A 34 10.648 5.867 -0.427 1.00 21.40 H new ATOM 0 HB3 ASN A 34 10.909 7.362 -1.303 1.00 21.40 H new ATOM 0 HD21 ASN A 34 13.201 4.636 -2.592 1.00 21.11 H new ATOM 0 HD22 ASN A 34 11.460 4.755 -2.320 1.00 21.11 H new ATOM 532 N GLU A 35 10.663 9.349 1.662 1.00 3.41 N ATOM 533 CA GLU A 35 9.568 10.168 2.166 1.00 41.35 C ATOM 534 C GLU A 35 8.726 10.716 1.017 1.00 43.03 C ATOM 535 O GLU A 35 7.497 10.726 1.084 1.00 31.22 O ATOM 536 CB GLU A 35 10.111 11.324 3.009 1.00 31.21 C ATOM 537 CG GLU A 35 10.675 10.884 4.351 1.00 52.42 C ATOM 538 CD GLU A 35 11.427 11.995 5.059 1.00 71.11 C ATOM 539 OE1 GLU A 35 10.803 13.035 5.360 1.00 62.02 O ATOM 540 OE2 GLU A 35 12.637 11.825 5.312 1.00 2.04 O ATOM 0 H GLU A 35 11.578 9.798 1.700 1.00 3.41 H new ATOM 0 HA GLU A 35 8.935 9.538 2.791 1.00 41.35 H new ATOM 0 HB2 GLU A 35 10.891 11.838 2.447 1.00 31.21 H new ATOM 0 HB3 GLU A 35 9.312 12.046 3.179 1.00 31.21 H new ATOM 0 HG2 GLU A 35 9.861 10.538 4.988 1.00 52.42 H new ATOM 0 HG3 GLU A 35 11.343 10.036 4.200 1.00 52.42 H new ATOM 547 N GLN A 36 9.397 11.171 -0.037 1.00 12.12 N ATOM 548 CA GLN A 36 8.711 11.721 -1.199 1.00 53.32 C ATOM 549 C GLN A 36 8.019 10.620 -1.996 1.00 30.41 C ATOM 550 O GLN A 36 6.843 10.734 -2.343 1.00 23.23 O ATOM 551 CB GLN A 36 9.701 12.469 -2.095 1.00 55.11 C ATOM 552 CG GLN A 36 9.111 13.708 -2.750 1.00 73.13 C ATOM 553 CD GLN A 36 9.290 13.712 -4.256 1.00 41.21 C ATOM 554 OE1 GLN A 36 8.639 12.951 -4.972 1.00 61.34 O ATOM 555 NE2 GLN A 36 10.175 14.572 -4.745 1.00 10.52 N ATOM 0 H GLN A 36 10.414 11.169 -0.109 1.00 12.12 H new ATOM 0 HA GLN A 36 7.952 12.419 -0.844 1.00 53.32 H new ATOM 0 HB2 GLN A 36 10.568 12.760 -1.501 1.00 55.11 H new ATOM 0 HB3 GLN A 36 10.058 11.793 -2.871 1.00 55.11 H new ATOM 0 HG2 GLN A 36 8.049 13.769 -2.514 1.00 73.13 H new ATOM 0 HG3 GLN A 36 9.582 14.596 -2.329 1.00 73.13 H new ATOM 0 HE21 GLN A 36 10.693 15.185 -4.115 1.00 10.52 H new ATOM 0 HE22 GLN A 36 10.337 14.620 -5.751 1.00 10.52 H new ATOM 564 N LEU A 37 8.756 9.552 -2.282 1.00 64.33 N ATOM 565 CA LEU A 37 8.215 8.428 -3.038 1.00 54.31 C ATOM 566 C LEU A 37 7.030 7.802 -2.309 1.00 15.40 C ATOM 567 O LEU A 37 6.025 7.447 -2.926 1.00 54.13 O ATOM 568 CB LEU A 37 9.298 7.374 -3.271 1.00 11.51 C ATOM 569 CG LEU A 37 9.082 6.442 -4.464 1.00 3.53 C ATOM 570 CD1 LEU A 37 9.527 7.115 -5.753 1.00 45.34 C ATOM 571 CD2 LEU A 37 9.829 5.133 -4.259 1.00 65.33 C ATOM 0 H LEU A 37 9.730 9.441 -2.001 1.00 64.33 H new ATOM 0 HA LEU A 37 7.870 8.804 -4.001 1.00 54.31 H new ATOM 0 HB2 LEU A 37 10.252 7.885 -3.403 1.00 11.51 H new ATOM 0 HB3 LEU A 37 9.384 6.765 -2.371 1.00 11.51 H new ATOM 0 HG LEU A 37 8.017 6.222 -4.541 1.00 3.53 H new ATOM 0 HD11 LEU A 37 9.366 6.437 -6.592 1.00 45.34 H new ATOM 0 HD12 LEU A 37 8.948 8.026 -5.906 1.00 45.34 H new ATOM 0 HD13 LEU A 37 10.586 7.365 -5.686 1.00 45.34 H new ATOM 0 HD21 LEU A 37 9.664 4.482 -5.117 1.00 65.33 H new ATOM 0 HD22 LEU A 37 10.895 5.335 -4.156 1.00 65.33 H new ATOM 0 HD23 LEU A 37 9.464 4.643 -3.356 1.00 65.33 H new ATOM 583 N LEU A 38 7.153 7.673 -0.993 1.00 23.34 N ATOM 584 CA LEU A 38 6.091 7.092 -0.178 1.00 0.10 C ATOM 585 C LEU A 38 4.814 7.920 -0.277 1.00 41.14 C ATOM 586 O LEU A 38 3.721 7.376 -0.432 1.00 32.13 O ATOM 587 CB LEU A 38 6.537 6.995 1.282 1.00 62.10 C ATOM 588 CG LEU A 38 5.444 6.656 2.296 1.00 32.42 C ATOM 589 CD1 LEU A 38 4.648 7.900 2.659 1.00 4.01 C ATOM 590 CD2 LEU A 38 4.526 5.573 1.749 1.00 41.34 C ATOM 0 H LEU A 38 7.977 7.963 -0.467 1.00 23.34 H new ATOM 0 HA LEU A 38 5.883 6.091 -0.556 1.00 0.10 H new ATOM 0 HB2 LEU A 38 7.318 6.238 1.353 1.00 62.10 H new ATOM 0 HB3 LEU A 38 6.987 7.946 1.567 1.00 62.10 H new ATOM 0 HG LEU A 38 5.919 6.278 3.201 1.00 32.42 H new ATOM 0 HD11 LEU A 38 3.875 7.639 3.382 1.00 4.01 H new ATOM 0 HD12 LEU A 38 5.315 8.645 3.094 1.00 4.01 H new ATOM 0 HD13 LEU A 38 4.183 8.309 1.762 1.00 4.01 H new ATOM 0 HD21 LEU A 38 3.754 5.345 2.484 1.00 41.34 H new ATOM 0 HD22 LEU A 38 4.058 5.923 0.829 1.00 41.34 H new ATOM 0 HD23 LEU A 38 5.107 4.674 1.542 1.00 41.34 H new ATOM 602 N GLN A 39 4.961 9.238 -0.190 1.00 4.03 N ATOM 603 CA GLN A 39 3.819 10.141 -0.272 1.00 41.11 C ATOM 604 C GLN A 39 3.141 10.038 -1.635 1.00 12.44 C ATOM 605 O GLN A 39 1.923 9.873 -1.723 1.00 63.03 O ATOM 606 CB GLN A 39 4.261 11.582 -0.017 1.00 4.45 C ATOM 607 CG GLN A 39 3.816 12.125 1.332 1.00 15.30 C ATOM 608 CD GLN A 39 2.312 12.072 1.514 1.00 12.50 C ATOM 609 OE1 GLN A 39 1.564 11.901 0.551 1.00 31.32 O ATOM 610 NE2 GLN A 39 1.861 12.218 2.754 1.00 14.22 N ATOM 0 H GLN A 39 5.859 9.704 -0.063 1.00 4.03 H new ATOM 0 HA GLN A 39 3.101 9.848 0.494 1.00 41.11 H new ATOM 0 HB2 GLN A 39 5.348 11.637 -0.081 1.00 4.45 H new ATOM 0 HB3 GLN A 39 3.863 12.220 -0.806 1.00 4.45 H new ATOM 0 HG2 GLN A 39 4.295 11.552 2.126 1.00 15.30 H new ATOM 0 HG3 GLN A 39 4.155 13.156 1.434 1.00 15.30 H new ATOM 0 HE21 GLN A 39 2.517 12.358 3.522 1.00 14.22 H new ATOM 0 HE22 GLN A 39 0.858 12.191 2.938 1.00 14.22 H new ATOM 619 N LEU A 40 3.936 10.139 -2.694 1.00 53.22 N ATOM 620 CA LEU A 40 3.412 10.058 -4.053 1.00 12.31 C ATOM 621 C LEU A 40 2.801 8.687 -4.320 1.00 52.42 C ATOM 622 O LEU A 40 1.656 8.583 -4.763 1.00 62.12 O ATOM 623 CB LEU A 40 4.524 10.340 -5.066 1.00 11.12 C ATOM 624 CG LEU A 40 4.134 11.203 -6.267 1.00 0.24 C ATOM 625 CD1 LEU A 40 5.290 11.303 -7.250 1.00 43.30 C ATOM 626 CD2 LEU A 40 2.898 10.638 -6.951 1.00 53.12 C ATOM 0 H LEU A 40 4.945 10.277 -2.638 1.00 53.22 H new ATOM 0 HA LEU A 40 2.631 10.810 -4.161 1.00 12.31 H new ATOM 0 HB2 LEU A 40 5.348 10.828 -4.545 1.00 11.12 H new ATOM 0 HB3 LEU A 40 4.901 9.387 -5.436 1.00 11.12 H new ATOM 0 HG LEU A 40 3.900 12.206 -5.909 1.00 0.24 H new ATOM 0 HD11 LEU A 40 4.994 11.921 -8.098 1.00 43.30 H new ATOM 0 HD12 LEU A 40 6.150 11.754 -6.755 1.00 43.30 H new ATOM 0 HD13 LEU A 40 5.555 10.306 -7.602 1.00 43.30 H new ATOM 0 HD21 LEU A 40 2.635 11.265 -7.803 1.00 53.12 H new ATOM 0 HD22 LEU A 40 3.104 9.625 -7.296 1.00 53.12 H new ATOM 0 HD23 LEU A 40 2.068 10.619 -6.245 1.00 53.12 H new ATOM 638 N ILE A 41 3.570 7.638 -4.047 1.00 53.02 N ATOM 639 CA ILE A 41 3.102 6.274 -4.254 1.00 71.24 C ATOM 640 C ILE A 41 1.871 5.979 -3.404 1.00 25.33 C ATOM 641 O ILE A 41 1.006 5.195 -3.794 1.00 40.13 O ATOM 642 CB ILE A 41 4.199 5.245 -3.924 1.00 4.30 C ATOM 643 CG1 ILE A 41 4.105 4.045 -4.868 1.00 24.13 C ATOM 644 CG2 ILE A 41 4.086 4.798 -2.475 1.00 20.54 C ATOM 645 CD1 ILE A 41 5.008 2.896 -4.476 1.00 22.42 C ATOM 0 H ILE A 41 4.520 7.707 -3.682 1.00 53.02 H new ATOM 0 HA ILE A 41 2.841 6.188 -5.309 1.00 71.24 H new ATOM 0 HB ILE A 41 5.172 5.716 -4.063 1.00 4.30 H new ATOM 0 HG12 ILE A 41 3.074 3.693 -4.894 1.00 24.13 H new ATOM 0 HG13 ILE A 41 4.358 4.367 -5.878 1.00 24.13 H new ATOM 0 HG21 ILE A 41 4.868 4.071 -2.257 1.00 20.54 H new ATOM 0 HG22 ILE A 41 4.199 5.661 -1.818 1.00 20.54 H new ATOM 0 HG23 ILE A 41 3.110 4.342 -2.310 1.00 20.54 H new ATOM 0 HD11 ILE A 41 4.889 2.080 -5.189 1.00 22.42 H new ATOM 0 HD12 ILE A 41 6.045 3.231 -4.478 1.00 22.42 H new ATOM 0 HD13 ILE A 41 4.741 2.547 -3.478 1.00 22.42 H new ATOM 657 N PHE A 42 1.800 6.613 -2.238 1.00 33.41 N ATOM 658 CA PHE A 42 0.674 6.420 -1.330 1.00 24.42 C ATOM 659 C PHE A 42 -0.628 6.888 -1.971 1.00 53.00 C ATOM 660 O PHE A 42 -1.620 6.159 -1.994 1.00 75.23 O ATOM 661 CB PHE A 42 0.912 7.174 -0.021 1.00 61.52 C ATOM 662 CG PHE A 42 -0.298 7.230 0.867 1.00 54.43 C ATOM 663 CD1 PHE A 42 -0.829 6.073 1.412 1.00 40.14 C ATOM 664 CD2 PHE A 42 -0.906 8.443 1.155 1.00 23.43 C ATOM 665 CE1 PHE A 42 -1.942 6.122 2.229 1.00 54.21 C ATOM 666 CE2 PHE A 42 -2.019 8.498 1.972 1.00 62.42 C ATOM 667 CZ PHE A 42 -2.538 7.336 2.509 1.00 54.14 C ATOM 0 H PHE A 42 2.508 7.264 -1.899 1.00 33.41 H new ATOM 0 HA PHE A 42 0.590 5.354 -1.117 1.00 24.42 H new ATOM 0 HB2 PHE A 42 1.729 6.697 0.521 1.00 61.52 H new ATOM 0 HB3 PHE A 42 1.232 8.190 -0.250 1.00 61.52 H new ATOM 0 HD1 PHE A 42 -0.367 5.121 1.196 1.00 40.14 H new ATOM 0 HD2 PHE A 42 -0.505 9.354 0.736 1.00 23.43 H new ATOM 0 HE1 PHE A 42 -2.345 5.212 2.648 1.00 54.21 H new ATOM 0 HE2 PHE A 42 -2.483 9.449 2.190 1.00 62.42 H new ATOM 0 HZ PHE A 42 -3.409 7.377 3.147 1.00 54.14 H new ATOM 677 N LYS A 43 -0.618 8.111 -2.491 1.00 13.34 N ATOM 678 CA LYS A 43 -1.797 8.680 -3.133 1.00 63.21 C ATOM 679 C LYS A 43 -2.059 8.012 -4.479 1.00 44.14 C ATOM 680 O LYS A 43 -3.202 7.920 -4.925 1.00 61.14 O ATOM 681 CB LYS A 43 -1.620 10.187 -3.327 1.00 14.25 C ATOM 682 CG LYS A 43 -2.881 10.988 -3.048 1.00 71.42 C ATOM 683 CD LYS A 43 -2.558 12.348 -2.451 1.00 74.43 C ATOM 684 CE LYS A 43 -3.186 13.474 -3.257 1.00 40.33 C ATOM 685 NZ LYS A 43 -2.812 14.813 -2.724 1.00 51.25 N ATOM 0 H LYS A 43 0.195 8.728 -2.480 1.00 13.34 H new ATOM 0 HA LYS A 43 -2.655 8.501 -2.485 1.00 63.21 H new ATOM 0 HB2 LYS A 43 -0.824 10.538 -2.671 1.00 14.25 H new ATOM 0 HB3 LYS A 43 -1.297 10.378 -4.350 1.00 14.25 H new ATOM 0 HG2 LYS A 43 -3.441 11.120 -3.974 1.00 71.42 H new ATOM 0 HG3 LYS A 43 -3.522 10.432 -2.364 1.00 71.42 H new ATOM 0 HD2 LYS A 43 -2.918 12.390 -1.423 1.00 74.43 H new ATOM 0 HD3 LYS A 43 -1.477 12.484 -2.416 1.00 74.43 H new ATOM 0 HE2 LYS A 43 -2.870 13.396 -4.297 1.00 40.33 H new ATOM 0 HE3 LYS A 43 -4.271 13.368 -3.245 1.00 40.33 H new ATOM 0 HZ1 LYS A 43 -3.260 15.554 -3.301 1.00 51.25 H new ATOM 0 HZ2 LYS A 43 -3.136 14.898 -1.739 1.00 51.25 H new ATOM 0 HZ3 LYS A 43 -1.779 14.924 -2.759 1.00 51.25 H new ATOM 699 N SER A 44 -0.992 7.545 -5.121 1.00 22.14 N ATOM 700 CA SER A 44 -1.107 6.887 -6.417 1.00 1.21 C ATOM 701 C SER A 44 -1.723 5.500 -6.270 1.00 34.43 C ATOM 702 O SER A 44 -2.682 5.158 -6.962 1.00 33.24 O ATOM 703 CB SER A 44 0.268 6.779 -7.081 1.00 34.15 C ATOM 704 OG SER A 44 0.665 8.021 -7.636 1.00 75.23 O ATOM 0 H SER A 44 -0.039 7.610 -4.764 1.00 22.14 H new ATOM 0 HA SER A 44 -1.761 7.491 -7.046 1.00 1.21 H new ATOM 0 HB2 SER A 44 1.005 6.453 -6.347 1.00 34.15 H new ATOM 0 HB3 SER A 44 0.239 6.020 -7.863 1.00 34.15 H new ATOM 0 HG SER A 44 1.083 8.571 -6.941 1.00 75.23 H new ATOM 710 N ILE A 45 -1.165 4.705 -5.362 1.00 75.11 N ATOM 711 CA ILE A 45 -1.660 3.354 -5.123 1.00 15.33 C ATOM 712 C ILE A 45 -3.060 3.382 -4.519 1.00 11.42 C ATOM 713 O ILE A 45 -3.879 2.501 -4.784 1.00 41.54 O ATOM 714 CB ILE A 45 -0.724 2.571 -4.184 1.00 60.34 C ATOM 715 CG1 ILE A 45 0.650 2.392 -4.832 1.00 11.14 C ATOM 716 CG2 ILE A 45 -1.332 1.219 -3.838 1.00 41.11 C ATOM 717 CD1 ILE A 45 1.673 1.757 -3.916 1.00 13.44 C ATOM 0 H ILE A 45 -0.371 4.973 -4.781 1.00 75.11 H new ATOM 0 HA ILE A 45 -1.694 2.853 -6.090 1.00 15.33 H new ATOM 0 HB ILE A 45 -0.599 3.139 -3.262 1.00 60.34 H new ATOM 0 HG12 ILE A 45 0.544 1.777 -5.726 1.00 11.14 H new ATOM 0 HG13 ILE A 45 1.019 3.365 -5.156 1.00 11.14 H new ATOM 0 HG21 ILE A 45 -0.659 0.677 -3.174 1.00 41.11 H new ATOM 0 HG22 ILE A 45 -2.291 1.368 -3.341 1.00 41.11 H new ATOM 0 HG23 ILE A 45 -1.482 0.643 -4.751 1.00 41.11 H new ATOM 0 HD11 ILE A 45 2.623 1.661 -4.442 1.00 13.44 H new ATOM 0 HD12 ILE A 45 1.809 2.382 -3.033 1.00 13.44 H new ATOM 0 HD13 ILE A 45 1.326 0.770 -3.612 1.00 13.44 H new ATOM 729 N ASP A 46 -3.329 4.399 -3.707 1.00 34.22 N ATOM 730 CA ASP A 46 -4.632 4.543 -3.067 1.00 51.24 C ATOM 731 C ASP A 46 -5.615 5.254 -3.992 1.00 12.51 C ATOM 732 O ASP A 46 -5.370 6.379 -4.427 1.00 71.15 O ATOM 733 CB ASP A 46 -4.496 5.315 -1.754 1.00 41.43 C ATOM 734 CG ASP A 46 -5.549 4.920 -0.738 1.00 41.13 C ATOM 735 OD1 ASP A 46 -6.606 4.399 -1.152 1.00 21.23 O ATOM 736 OD2 ASP A 46 -5.317 5.132 0.470 1.00 31.13 O ATOM 0 H ASP A 46 -2.662 5.136 -3.476 1.00 34.22 H new ATOM 0 HA ASP A 46 -5.018 3.546 -2.854 1.00 51.24 H new ATOM 0 HB2 ASP A 46 -3.506 5.139 -1.334 1.00 41.43 H new ATOM 0 HB3 ASP A 46 -4.572 6.384 -1.955 1.00 41.43 H new ATOM 741 N ALA A 47 -6.727 4.590 -4.287 1.00 54.33 N ATOM 742 CA ALA A 47 -7.749 5.159 -5.158 1.00 24.14 C ATOM 743 C ALA A 47 -8.346 6.424 -4.551 1.00 60.50 C ATOM 744 O ALA A 47 -8.564 7.415 -5.248 1.00 40.02 O ATOM 745 CB ALA A 47 -8.840 4.135 -5.430 1.00 53.54 C ATOM 0 H ALA A 47 -6.944 3.657 -3.936 1.00 54.33 H new ATOM 0 HA ALA A 47 -7.277 5.430 -6.102 1.00 24.14 H new ATOM 0 HB1 ALA A 47 -9.596 4.573 -6.081 1.00 53.54 H new ATOM 0 HB2 ALA A 47 -8.406 3.261 -5.915 1.00 53.54 H new ATOM 0 HB3 ALA A 47 -9.301 3.836 -4.489 1.00 53.54 H new ATOM 751 N ASP A 48 -8.609 6.382 -3.249 1.00 41.54 N ATOM 752 CA ASP A 48 -9.182 7.525 -2.548 1.00 40.41 C ATOM 753 C ASP A 48 -8.149 8.171 -1.629 1.00 55.41 C ATOM 754 O ASP A 48 -8.319 9.309 -1.191 1.00 70.35 O ATOM 755 CB ASP A 48 -10.405 7.094 -1.738 1.00 54.11 C ATOM 756 CG ASP A 48 -10.081 6.003 -0.737 1.00 51.30 C ATOM 757 OD1 ASP A 48 -8.911 5.569 -0.690 1.00 60.22 O ATOM 758 OD2 ASP A 48 -10.997 5.584 0.001 1.00 2.21 O ATOM 0 H ASP A 48 -8.434 5.569 -2.658 1.00 41.54 H new ATOM 0 HA ASP A 48 -9.490 8.259 -3.292 1.00 40.41 H new ATOM 0 HB2 ASP A 48 -10.811 7.958 -1.211 1.00 54.11 H new ATOM 0 HB3 ASP A 48 -11.181 6.741 -2.417 1.00 54.11 H new ATOM 763 N GLY A 49 -7.079 7.437 -1.340 1.00 71.24 N ATOM 764 CA GLY A 49 -6.037 7.954 -0.474 1.00 0.31 C ATOM 765 C GLY A 49 -6.560 8.345 0.894 1.00 54.34 C ATOM 766 O GLY A 49 -6.065 9.290 1.509 1.00 71.24 O ATOM 0 H GLY A 49 -6.916 6.493 -1.691 1.00 71.24 H new ATOM 0 HA2 GLY A 49 -5.257 7.201 -0.360 1.00 0.31 H new ATOM 0 HA3 GLY A 49 -5.575 8.822 -0.945 1.00 0.31 H new ATOM 770 N ASN A 50 -7.566 7.618 1.371 1.00 54.43 N ATOM 771 CA ASN A 50 -8.158 7.897 2.675 1.00 73.25 C ATOM 772 C ASN A 50 -7.357 7.233 3.789 1.00 20.24 C ATOM 773 O ASN A 50 -7.732 6.173 4.290 1.00 24.13 O ATOM 774 CB ASN A 50 -9.609 7.410 2.713 1.00 42.12 C ATOM 775 CG ASN A 50 -9.725 5.921 2.448 1.00 74.35 C ATOM 776 OD1 ASN A 50 -8.816 5.305 1.892 1.00 34.43 O ATOM 777 ND2 ASN A 50 -10.849 5.336 2.845 1.00 75.30 N ATOM 0 H ASN A 50 -7.988 6.833 0.875 1.00 54.43 H new ATOM 0 HA ASN A 50 -8.139 8.975 2.833 1.00 73.25 H new ATOM 0 HB2 ASN A 50 -10.041 7.638 3.688 1.00 42.12 H new ATOM 0 HB3 ASN A 50 -10.192 7.955 1.971 1.00 42.12 H new ATOM 0 HD21 ASN A 50 -10.985 4.337 2.693 1.00 75.30 H new ATOM 0 HD22 ASN A 50 -11.576 5.886 3.302 1.00 75.30 H new ATOM 784 N GLY A 51 -6.252 7.864 4.174 1.00 72.32 N ATOM 785 CA GLY A 51 -5.415 7.319 5.227 1.00 41.13 C ATOM 786 C GLY A 51 -4.711 6.044 4.808 1.00 54.34 C ATOM 787 O GLY A 51 -3.518 5.876 5.057 1.00 24.03 O ATOM 0 H GLY A 51 -5.921 8.743 3.776 1.00 72.32 H new ATOM 0 HA2 GLY A 51 -4.672 8.062 5.517 1.00 41.13 H new ATOM 0 HA3 GLY A 51 -6.027 7.120 6.107 1.00 41.13 H new ATOM 791 N GLU A 52 -5.452 5.142 4.171 1.00 55.55 N ATOM 792 CA GLU A 52 -4.891 3.875 3.719 1.00 43.11 C ATOM 793 C GLU A 52 -5.634 3.358 2.491 1.00 10.21 C ATOM 794 O GLU A 52 -6.728 3.825 2.172 1.00 2.41 O ATOM 795 CB GLU A 52 -4.951 2.837 4.841 1.00 65.25 C ATOM 796 CG GLU A 52 -6.271 2.830 5.594 1.00 43.40 C ATOM 797 CD GLU A 52 -7.471 2.824 4.667 1.00 13.00 C ATOM 798 OE1 GLU A 52 -7.555 1.919 3.811 1.00 31.55 O ATOM 799 OE2 GLU A 52 -8.326 3.725 4.797 1.00 23.03 O ATOM 0 H GLU A 52 -6.442 5.266 3.957 1.00 55.55 H new ATOM 0 HA GLU A 52 -3.849 4.044 3.446 1.00 43.11 H new ATOM 0 HB2 GLU A 52 -4.778 1.847 4.418 1.00 65.25 H new ATOM 0 HB3 GLU A 52 -4.142 3.029 5.545 1.00 65.25 H new ATOM 0 HG2 GLU A 52 -6.312 1.953 6.241 1.00 43.40 H new ATOM 0 HG3 GLU A 52 -6.321 3.706 6.241 1.00 43.40 H new ATOM 806 N ILE A 53 -5.034 2.390 1.806 1.00 4.52 N ATOM 807 CA ILE A 53 -5.638 1.810 0.614 1.00 23.31 C ATOM 808 C ILE A 53 -6.409 0.538 0.953 1.00 35.54 C ATOM 809 O ILE A 53 -5.859 -0.397 1.536 1.00 52.14 O ATOM 810 CB ILE A 53 -4.577 1.483 -0.454 1.00 12.43 C ATOM 811 CG1 ILE A 53 -3.524 2.591 -0.512 1.00 50.31 C ATOM 812 CG2 ILE A 53 -5.234 1.297 -1.813 1.00 71.32 C ATOM 813 CD1 ILE A 53 -2.162 2.157 -0.019 1.00 4.33 C ATOM 0 H ILE A 53 -4.129 1.991 2.057 1.00 4.52 H new ATOM 0 HA ILE A 53 -6.326 2.555 0.215 1.00 23.31 H new ATOM 0 HB ILE A 53 -4.082 0.551 -0.181 1.00 12.43 H new ATOM 0 HG12 ILE A 53 -3.434 2.942 -1.540 1.00 50.31 H new ATOM 0 HG13 ILE A 53 -3.865 3.437 0.085 1.00 50.31 H new ATOM 0 HG21 ILE A 53 -4.472 1.067 -2.557 1.00 71.32 H new ATOM 0 HG22 ILE A 53 -5.951 0.477 -1.762 1.00 71.32 H new ATOM 0 HG23 ILE A 53 -5.751 2.214 -2.096 1.00 71.32 H new ATOM 0 HD11 ILE A 53 -1.466 2.993 -0.089 1.00 4.33 H new ATOM 0 HD12 ILE A 53 -2.237 1.833 1.019 1.00 4.33 H new ATOM 0 HD13 ILE A 53 -1.800 1.331 -0.631 1.00 4.33 H new ATOM 825 N ASP A 54 -7.685 0.511 0.584 1.00 42.01 N ATOM 826 CA ASP A 54 -8.532 -0.647 0.847 1.00 62.34 C ATOM 827 C ASP A 54 -8.228 -1.776 -0.134 1.00 24.25 C ATOM 828 O ASP A 54 -7.662 -1.547 -1.201 1.00 42.25 O ATOM 829 CB ASP A 54 -10.008 -0.257 0.753 1.00 71.23 C ATOM 830 CG ASP A 54 -10.289 1.098 1.370 1.00 72.21 C ATOM 831 OD1 ASP A 54 -9.569 1.480 2.315 1.00 55.21 O ATOM 832 OD2 ASP A 54 -11.231 1.777 0.908 1.00 73.11 O ATOM 0 H ASP A 54 -8.155 1.277 0.102 1.00 42.01 H new ATOM 0 HA ASP A 54 -8.321 -1.000 1.856 1.00 62.34 H new ATOM 0 HB2 ASP A 54 -10.312 -0.246 -0.294 1.00 71.23 H new ATOM 0 HB3 ASP A 54 -10.613 -1.013 1.253 1.00 71.23 H new ATOM 837 N GLN A 55 -8.607 -2.995 0.240 1.00 43.54 N ATOM 838 CA GLN A 55 -8.372 -4.159 -0.606 1.00 73.04 C ATOM 839 C GLN A 55 -8.977 -3.956 -1.992 1.00 1.13 C ATOM 840 O GLN A 55 -8.338 -4.233 -3.005 1.00 63.01 O ATOM 841 CB GLN A 55 -8.961 -5.413 0.042 1.00 13.14 C ATOM 842 CG GLN A 55 -10.423 -5.268 0.429 1.00 15.11 C ATOM 843 CD GLN A 55 -10.932 -6.443 1.242 1.00 2.23 C ATOM 844 OE1 GLN A 55 -10.720 -7.601 0.881 1.00 41.14 O ATOM 845 NE2 GLN A 55 -11.606 -6.151 2.349 1.00 41.52 N ATOM 0 H GLN A 55 -9.077 -3.201 1.121 1.00 43.54 H new ATOM 0 HA GLN A 55 -7.295 -4.286 -0.715 1.00 73.04 H new ATOM 0 HB2 GLN A 55 -8.858 -6.251 -0.648 1.00 13.14 H new ATOM 0 HB3 GLN A 55 -8.381 -5.659 0.932 1.00 13.14 H new ATOM 0 HG2 GLN A 55 -10.554 -4.351 1.003 1.00 15.11 H new ATOM 0 HG3 GLN A 55 -11.025 -5.168 -0.474 1.00 15.11 H new ATOM 0 HE21 GLN A 55 -11.759 -5.177 2.611 1.00 41.52 H new ATOM 0 HE22 GLN A 55 -11.971 -6.901 2.937 1.00 41.52 H new ATOM 854 N ASN A 56 -10.214 -3.472 -2.026 1.00 73.33 N ATOM 855 CA ASN A 56 -10.906 -3.233 -3.288 1.00 71.43 C ATOM 856 C ASN A 56 -10.124 -2.256 -4.161 1.00 24.52 C ATOM 857 O ASN A 56 -9.877 -2.522 -5.337 1.00 64.14 O ATOM 858 CB ASN A 56 -12.312 -2.689 -3.027 1.00 53.44 C ATOM 859 CG ASN A 56 -13.354 -3.323 -3.928 1.00 34.03 C ATOM 860 OD1 ASN A 56 -13.131 -3.500 -5.126 1.00 24.35 O ATOM 861 ND2 ASN A 56 -14.501 -3.668 -3.354 1.00 33.11 N ATOM 0 H ASN A 56 -10.758 -3.238 -1.195 1.00 73.33 H new ATOM 0 HA ASN A 56 -10.983 -4.183 -3.817 1.00 71.43 H new ATOM 0 HB2 ASN A 56 -12.580 -2.867 -1.985 1.00 53.44 H new ATOM 0 HB3 ASN A 56 -12.314 -1.609 -3.177 1.00 53.44 H new ATOM 0 HD21 ASN A 56 -15.240 -4.098 -3.910 1.00 33.11 H new ATOM 0 HD22 ASN A 56 -14.643 -3.503 -2.358 1.00 33.11 H new ATOM 868 N GLU A 57 -9.737 -1.128 -3.577 1.00 14.14 N ATOM 869 CA GLU A 57 -8.984 -0.111 -4.302 1.00 30.43 C ATOM 870 C GLU A 57 -7.690 -0.693 -4.865 1.00 32.31 C ATOM 871 O GLU A 57 -7.299 -0.392 -5.993 1.00 73.34 O ATOM 872 CB GLU A 57 -8.667 1.072 -3.385 1.00 54.03 C ATOM 873 CG GLU A 57 -9.894 1.669 -2.717 1.00 14.13 C ATOM 874 CD GLU A 57 -9.544 2.557 -1.539 1.00 24.41 C ATOM 875 OE1 GLU A 57 -8.370 2.540 -1.113 1.00 44.43 O ATOM 876 OE2 GLU A 57 -10.442 3.266 -1.041 1.00 43.12 O ATOM 0 H GLU A 57 -9.932 -0.894 -2.603 1.00 14.14 H new ATOM 0 HA GLU A 57 -9.598 0.237 -5.132 1.00 30.43 H new ATOM 0 HB2 GLU A 57 -7.967 0.747 -2.616 1.00 54.03 H new ATOM 0 HB3 GLU A 57 -8.166 1.847 -3.965 1.00 54.03 H new ATOM 0 HG2 GLU A 57 -10.456 2.249 -3.450 1.00 14.13 H new ATOM 0 HG3 GLU A 57 -10.547 0.864 -2.379 1.00 14.13 H new ATOM 883 N PHE A 58 -7.029 -1.528 -4.070 1.00 3.22 N ATOM 884 CA PHE A 58 -5.777 -2.150 -4.486 1.00 61.52 C ATOM 885 C PHE A 58 -6.003 -3.084 -5.672 1.00 54.34 C ATOM 886 O PHE A 58 -5.226 -3.092 -6.627 1.00 33.42 O ATOM 887 CB PHE A 58 -5.157 -2.926 -3.323 1.00 20.54 C ATOM 888 CG PHE A 58 -3.689 -3.197 -3.498 1.00 74.10 C ATOM 889 CD1 PHE A 58 -2.746 -2.275 -3.075 1.00 42.13 C ATOM 890 CD2 PHE A 58 -3.254 -4.375 -4.084 1.00 52.14 C ATOM 891 CE1 PHE A 58 -1.396 -2.522 -3.236 1.00 40.24 C ATOM 892 CE2 PHE A 58 -1.905 -4.628 -4.248 1.00 12.45 C ATOM 893 CZ PHE A 58 -0.975 -3.700 -3.821 1.00 51.23 C ATOM 0 H PHE A 58 -7.339 -1.790 -3.134 1.00 3.22 H new ATOM 0 HA PHE A 58 -5.092 -1.360 -4.792 1.00 61.52 H new ATOM 0 HB2 PHE A 58 -5.307 -2.365 -2.401 1.00 20.54 H new ATOM 0 HB3 PHE A 58 -5.682 -3.874 -3.208 1.00 20.54 H new ATOM 0 HD1 PHE A 58 -3.069 -1.353 -2.614 1.00 42.13 H new ATOM 0 HD2 PHE A 58 -3.978 -5.104 -4.417 1.00 52.14 H new ATOM 0 HE1 PHE A 58 -0.670 -1.794 -2.904 1.00 40.24 H new ATOM 0 HE2 PHE A 58 -1.579 -5.549 -4.709 1.00 12.45 H new ATOM 0 HZ PHE A 58 0.080 -3.896 -3.945 1.00 51.23 H new ATOM 903 N ALA A 59 -7.073 -3.869 -5.603 1.00 24.53 N ATOM 904 CA ALA A 59 -7.403 -4.806 -6.670 1.00 63.35 C ATOM 905 C ALA A 59 -7.637 -4.076 -7.989 1.00 20.45 C ATOM 906 O ALA A 59 -7.046 -4.418 -9.014 1.00 21.25 O ATOM 907 CB ALA A 59 -8.629 -5.626 -6.294 1.00 0.41 C ATOM 0 H ALA A 59 -7.726 -3.875 -4.820 1.00 24.53 H new ATOM 0 HA ALA A 59 -6.556 -5.479 -6.802 1.00 63.35 H new ATOM 0 HB1 ALA A 59 -8.863 -6.321 -7.100 1.00 0.41 H new ATOM 0 HB2 ALA A 59 -8.427 -6.185 -5.380 1.00 0.41 H new ATOM 0 HB3 ALA A 59 -9.476 -4.960 -6.132 1.00 0.41 H new ATOM 913 N LYS A 60 -8.502 -3.069 -7.956 1.00 34.50 N ATOM 914 CA LYS A 60 -8.816 -2.289 -9.147 1.00 63.34 C ATOM 915 C LYS A 60 -7.603 -1.487 -9.607 1.00 10.34 C ATOM 916 O LYS A 60 -7.485 -1.137 -10.781 1.00 63.33 O ATOM 917 CB LYS A 60 -9.990 -1.347 -8.872 1.00 42.34 C ATOM 918 CG LYS A 60 -11.348 -2.016 -8.994 1.00 15.54 C ATOM 919 CD LYS A 60 -12.397 -1.303 -8.157 1.00 61.13 C ATOM 920 CE LYS A 60 -13.715 -1.176 -8.906 1.00 24.03 C ATOM 921 NZ LYS A 60 -14.857 -0.938 -7.980 1.00 71.33 N ATOM 0 H LYS A 60 -8.999 -2.773 -7.116 1.00 34.50 H new ATOM 0 HA LYS A 60 -9.094 -2.982 -9.941 1.00 63.34 H new ATOM 0 HB2 LYS A 60 -9.886 -0.934 -7.868 1.00 42.34 H new ATOM 0 HB3 LYS A 60 -9.943 -0.509 -9.568 1.00 42.34 H new ATOM 0 HG2 LYS A 60 -11.658 -2.024 -10.039 1.00 15.54 H new ATOM 0 HG3 LYS A 60 -11.272 -3.056 -8.676 1.00 15.54 H new ATOM 0 HD2 LYS A 60 -12.556 -1.850 -7.228 1.00 61.13 H new ATOM 0 HD3 LYS A 60 -12.035 -0.312 -7.885 1.00 61.13 H new ATOM 0 HE2 LYS A 60 -13.649 -0.355 -9.620 1.00 24.03 H new ATOM 0 HE3 LYS A 60 -13.896 -2.085 -9.480 1.00 24.03 H new ATOM 0 HZ1 LYS A 60 -15.737 -0.857 -8.528 1.00 71.33 H new ATOM 0 HZ2 LYS A 60 -14.936 -1.733 -7.314 1.00 71.33 H new ATOM 0 HZ3 LYS A 60 -14.697 -0.057 -7.450 1.00 71.33 H new ATOM 935 N PHE A 61 -6.702 -1.199 -8.673 1.00 52.32 N ATOM 936 CA PHE A 61 -5.497 -0.438 -8.982 1.00 51.33 C ATOM 937 C PHE A 61 -4.429 -1.336 -9.598 1.00 13.05 C ATOM 938 O PHE A 61 -3.619 -0.890 -10.411 1.00 50.11 O ATOM 939 CB PHE A 61 -4.951 0.229 -7.717 1.00 42.44 C ATOM 940 CG PHE A 61 -3.500 0.604 -7.816 1.00 71.42 C ATOM 941 CD1 PHE A 61 -3.056 1.448 -8.821 1.00 25.34 C ATOM 942 CD2 PHE A 61 -2.581 0.112 -6.904 1.00 45.04 C ATOM 943 CE1 PHE A 61 -1.720 1.795 -8.914 1.00 34.52 C ATOM 944 CE2 PHE A 61 -1.244 0.455 -6.992 1.00 55.10 C ATOM 945 CZ PHE A 61 -0.814 1.297 -7.999 1.00 22.41 C ATOM 0 H PHE A 61 -6.784 -1.481 -7.696 1.00 52.32 H new ATOM 0 HA PHE A 61 -5.760 0.333 -9.706 1.00 51.33 H new ATOM 0 HB2 PHE A 61 -5.536 1.124 -7.507 1.00 42.44 H new ATOM 0 HB3 PHE A 61 -5.087 -0.446 -6.872 1.00 42.44 H new ATOM 0 HD1 PHE A 61 -3.761 1.839 -9.540 1.00 25.34 H new ATOM 0 HD2 PHE A 61 -2.912 -0.547 -6.115 1.00 45.04 H new ATOM 0 HE1 PHE A 61 -1.386 2.455 -9.701 1.00 34.52 H new ATOM 0 HE2 PHE A 61 -0.537 0.065 -6.274 1.00 55.10 H new ATOM 0 HZ PHE A 61 0.230 1.565 -8.070 1.00 22.41 H new ATOM 955 N TYR A 62 -4.433 -2.605 -9.204 1.00 51.11 N ATOM 956 CA TYR A 62 -3.463 -3.567 -9.714 1.00 73.04 C ATOM 957 C TYR A 62 -3.589 -3.717 -11.227 1.00 75.02 C ATOM 958 O TYR A 62 -4.633 -4.120 -11.738 1.00 52.10 O ATOM 959 CB TYR A 62 -3.656 -4.925 -9.038 1.00 53.43 C ATOM 960 CG TYR A 62 -2.830 -6.031 -9.654 1.00 1.40 C ATOM 961 CD1 TYR A 62 -1.455 -6.086 -9.464 1.00 1.23 C ATOM 962 CD2 TYR A 62 -3.424 -7.022 -10.425 1.00 51.14 C ATOM 963 CE1 TYR A 62 -0.696 -7.095 -10.025 1.00 4.44 C ATOM 964 CE2 TYR A 62 -2.673 -8.035 -10.989 1.00 53.32 C ATOM 965 CZ TYR A 62 -1.309 -8.066 -10.787 1.00 74.33 C ATOM 966 OH TYR A 62 -0.557 -9.074 -11.347 1.00 1.11 O ATOM 0 H TYR A 62 -5.097 -2.991 -8.533 1.00 51.11 H new ATOM 0 HA TYR A 62 -2.465 -3.194 -9.486 1.00 73.04 H new ATOM 0 HB2 TYR A 62 -3.399 -4.836 -7.983 1.00 53.43 H new ATOM 0 HB3 TYR A 62 -4.710 -5.199 -9.087 1.00 53.43 H new ATOM 0 HD1 TYR A 62 -0.971 -5.327 -8.867 1.00 1.23 H new ATOM 0 HD2 TYR A 62 -4.492 -7.000 -10.586 1.00 51.14 H new ATOM 0 HE1 TYR A 62 0.372 -7.123 -9.867 1.00 4.44 H new ATOM 0 HE2 TYR A 62 -3.151 -8.798 -11.585 1.00 53.32 H new ATOM 0 HH TYR A 62 -1.142 -9.676 -11.852 1.00 1.11 H new ATOM 976 N GLY A 63 -2.515 -3.390 -11.940 1.00 13.21 N ATOM 977 CA GLY A 63 -2.525 -3.495 -13.387 1.00 2.30 C ATOM 978 C GLY A 63 -3.143 -2.281 -14.053 1.00 31.23 C ATOM 979 O GLY A 63 -3.287 -2.241 -15.274 1.00 53.03 O ATOM 0 H GLY A 63 -1.638 -3.054 -11.541 1.00 13.21 H new ATOM 0 HA2 GLY A 63 -1.504 -3.622 -13.746 1.00 2.30 H new ATOM 0 HA3 GLY A 63 -3.079 -4.387 -13.680 1.00 2.30 H new ATOM 983 N SER A 64 -3.510 -1.290 -13.247 1.00 75.44 N ATOM 984 CA SER A 64 -4.123 -0.072 -13.765 1.00 44.22 C ATOM 985 C SER A 64 -3.070 1.007 -14.003 1.00 65.23 C ATOM 986 O SER A 64 -3.372 2.200 -13.982 1.00 22.11 O ATOM 987 CB SER A 64 -5.186 0.444 -12.792 1.00 44.22 C ATOM 988 OG SER A 64 -5.816 1.608 -13.296 1.00 40.33 O ATOM 0 H SER A 64 -3.394 -1.306 -12.234 1.00 75.44 H new ATOM 0 HA SER A 64 -4.597 -0.310 -14.717 1.00 44.22 H new ATOM 0 HB2 SER A 64 -5.932 -0.331 -12.619 1.00 44.22 H new ATOM 0 HB3 SER A 64 -4.726 0.664 -11.829 1.00 44.22 H new ATOM 0 HG SER A 64 -5.151 2.172 -13.744 1.00 40.33 H new ATOM 994 N ILE A 65 -1.833 0.576 -14.231 1.00 32.32 N ATOM 995 CA ILE A 65 -0.735 1.503 -14.475 1.00 72.01 C ATOM 996 C ILE A 65 -0.553 1.759 -15.968 1.00 4.35 C ATOM 997 O ILE A 65 0.485 2.259 -16.398 1.00 1.54 O ATOM 998 CB ILE A 65 0.588 0.975 -13.891 1.00 20.13 C ATOM 999 CG1 ILE A 65 0.343 0.314 -12.532 1.00 54.13 C ATOM 1000 CG2 ILE A 65 1.598 2.105 -13.761 1.00 11.43 C ATOM 1001 CD1 ILE A 65 0.154 -1.184 -12.615 1.00 72.33 C ATOM 0 H ILE A 65 -1.567 -0.408 -14.252 1.00 32.32 H new ATOM 0 HA ILE A 65 -0.995 2.437 -13.978 1.00 72.01 H new ATOM 0 HB ILE A 65 0.995 0.226 -14.571 1.00 20.13 H new ATOM 0 HG12 ILE A 65 1.185 0.530 -11.875 1.00 54.13 H new ATOM 0 HG13 ILE A 65 -0.541 0.759 -12.075 1.00 54.13 H new ATOM 0 HG21 ILE A 65 2.528 1.716 -13.347 1.00 11.43 H new ATOM 0 HG22 ILE A 65 1.791 2.536 -14.744 1.00 11.43 H new ATOM 0 HG23 ILE A 65 1.200 2.874 -13.099 1.00 11.43 H new ATOM 0 HD11 ILE A 65 -0.015 -1.585 -11.616 1.00 72.33 H new ATOM 0 HD12 ILE A 65 -0.706 -1.408 -13.246 1.00 72.33 H new ATOM 0 HD13 ILE A 65 1.047 -1.640 -13.043 1.00 72.33 H new ATOM 1013 N GLN A 66 -1.570 1.413 -16.750 1.00 41.13 N ATOM 1014 CA GLN A 66 -1.522 1.607 -18.194 1.00 62.42 C ATOM 1015 C GLN A 66 -1.134 3.041 -18.539 1.00 51.43 C ATOM 1016 O GLN A 66 -1.591 3.966 -17.868 1.00 75.24 O ATOM 1017 CB GLN A 66 -2.875 1.266 -18.822 1.00 14.44 C ATOM 1018 CG GLN A 66 -3.141 -0.227 -18.921 1.00 42.35 C ATOM 1019 CD GLN A 66 -2.942 -0.762 -20.326 1.00 5.44 C ATOM 1020 OE1 GLN A 66 -1.825 -1.101 -20.721 1.00 34.51 O ATOM 1021 NE2 GLN A 66 -4.025 -0.840 -21.090 1.00 12.50 N ATOM 0 H GLN A 66 -2.437 0.997 -16.408 1.00 41.13 H new ATOM 0 HA GLN A 66 -0.763 0.938 -18.599 1.00 62.42 H new ATOM 0 HB2 GLN A 66 -3.667 1.729 -18.233 1.00 14.44 H new ATOM 0 HB3 GLN A 66 -2.923 1.702 -19.820 1.00 14.44 H new ATOM 0 HG2 GLN A 66 -2.478 -0.757 -18.237 1.00 42.35 H new ATOM 0 HG3 GLN A 66 -4.162 -0.433 -18.599 1.00 42.35 H new ATOM 0 HE21 GLN A 66 -4.931 -0.548 -20.722 1.00 12.50 H new ATOM 0 HE22 GLN A 66 -3.951 -1.192 -22.045 1.00 12.50 H new TER 1030 GLN A 66