USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot 121:sc= 0.662 USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0.599 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -110:sc= -0.236 (180deg=-2.05!) USER MOD Single : A 15 MET CE :methyl -173:sc= -0.25 (180deg=-0.298) USER MOD Single : A 16 MET CE :methyl 176:sc= -0.0281 (180deg=-0.0469) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc=-0.000899 (180deg=-0.077) USER MOD Single : A 22 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.014) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.0302 (180deg=-0.339) USER MOD Single : A 34 HIS : no HE2:sc= -0.0647 K(o=-0.065,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= -0.03 (180deg=-0.419) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.902 X(o=-0.9,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -12.890 -9.544 -11.789 1.00 0.00 N ATOM 2 CA ILE A 5 -11.863 -9.082 -12.783 1.00 0.00 C ATOM 3 C ILE A 5 -10.699 -8.379 -12.004 1.00 0.00 C ATOM 4 O ILE A 5 -10.100 -7.416 -12.480 1.00 0.00 O ATOM 5 CB ILE A 5 -12.559 -8.069 -13.851 1.00 0.00 C ATOM 6 CG1 ILE A 5 -13.791 -8.818 -14.593 1.00 0.00 C ATOM 7 CG2 ILE A 5 -11.491 -7.573 -14.969 1.00 0.00 C ATOM 8 CD1 ILE A 5 -14.727 -7.804 -15.328 1.00 0.00 C ATOM 0 HA ILE A 5 -11.455 -9.926 -13.339 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.922 -7.199 -13.303 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.399 -9.538 -15.311 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.369 -9.381 -13.860 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.984 -6.898 -15.669 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.668 -7.052 -14.480 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.103 -8.436 -15.510 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -15.540 -8.345 -15.813 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -15.140 -7.100 -14.605 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -14.155 -7.259 -16.079 1.00 0.00 H new ATOM 20 N MET A 6 -10.391 -8.913 -10.781 1.00 0.00 N ATOM 21 CA MET A 6 -9.303 -8.357 -9.895 1.00 0.00 C ATOM 22 C MET A 6 -9.369 -6.779 -9.860 1.00 0.00 C ATOM 23 O MET A 6 -8.352 -6.103 -9.679 1.00 0.00 O ATOM 24 CB MET A 6 -7.893 -8.865 -10.438 1.00 0.00 C ATOM 25 CG MET A 6 -7.750 -10.438 -10.277 1.00 0.00 C ATOM 26 SD MET A 6 -6.123 -10.987 -10.911 1.00 0.00 S ATOM 27 CE MET A 6 -6.373 -12.786 -10.782 1.00 0.00 C ATOM 0 H MET A 6 -10.873 -9.720 -10.385 1.00 0.00 H new ATOM 0 HA MET A 6 -9.441 -8.709 -8.873 1.00 0.00 H new ATOM 0 HB2 MET A 6 -7.785 -8.593 -11.488 1.00 0.00 H new ATOM 0 HB3 MET A 6 -7.090 -8.366 -9.895 1.00 0.00 H new ATOM 0 HG2 MET A 6 -7.853 -10.715 -9.228 1.00 0.00 H new ATOM 0 HG3 MET A 6 -8.550 -10.942 -10.820 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.478 -13.303 -11.127 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.568 -13.053 -9.743 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.223 -13.080 -11.398 1.00 0.00 H new ATOM 37 N GLN A 7 -10.607 -6.230 -10.088 1.00 0.00 N ATOM 38 CA GLN A 7 -10.852 -4.756 -10.146 1.00 0.00 C ATOM 39 C GLN A 7 -10.414 -4.073 -8.835 1.00 0.00 C ATOM 40 O GLN A 7 -9.825 -2.981 -8.860 1.00 0.00 O ATOM 41 CB GLN A 7 -12.392 -4.478 -10.449 1.00 0.00 C ATOM 42 CG GLN A 7 -12.687 -2.912 -10.651 1.00 0.00 C ATOM 43 CD GLN A 7 -14.178 -2.647 -10.962 1.00 0.00 C ATOM 44 OE1 GLN A 7 -15.054 -3.205 -10.307 1.00 0.00 O ATOM 45 NE2 GLN A 7 -14.507 -1.825 -11.928 1.00 0.00 N ATOM 0 H GLN A 7 -11.447 -6.790 -10.234 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.254 -4.331 -10.952 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.690 -5.023 -11.345 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.999 -4.859 -9.628 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.401 -2.369 -9.751 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.072 -2.528 -11.464 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.780 -1.361 -12.473 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.490 -1.649 -12.135 1.00 0.00 H new ATOM 54 N ALA A 8 -10.691 -4.735 -7.697 1.00 0.00 N ATOM 55 CA ALA A 8 -10.311 -4.208 -6.365 1.00 0.00 C ATOM 56 C ALA A 8 -8.768 -4.024 -6.287 1.00 0.00 C ATOM 57 O ALA A 8 -8.276 -2.992 -5.817 1.00 0.00 O ATOM 58 CB ALA A 8 -10.798 -5.210 -5.263 1.00 0.00 C ATOM 0 H ALA A 8 -11.175 -5.633 -7.668 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.781 -3.238 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.523 -4.831 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.881 -5.316 -5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.329 -6.181 -5.421 1.00 0.00 H new ATOM 64 N LYS A 9 -8.009 -5.061 -6.758 1.00 0.00 N ATOM 65 CA LYS A 9 -6.517 -5.034 -6.749 1.00 0.00 C ATOM 66 C LYS A 9 -5.960 -3.925 -7.698 1.00 0.00 C ATOM 67 O LYS A 9 -5.025 -3.203 -7.343 1.00 0.00 O ATOM 68 CB LYS A 9 -5.948 -6.450 -7.172 1.00 0.00 C ATOM 69 CG LYS A 9 -4.402 -6.598 -6.801 1.00 0.00 C ATOM 70 CD LYS A 9 -3.853 -8.050 -7.181 1.00 0.00 C ATOM 71 CE LYS A 9 -2.338 -8.195 -6.785 1.00 0.00 C ATOM 72 NZ LYS A 9 -1.858 -9.552 -7.150 1.00 0.00 N ATOM 0 H LYS A 9 -8.405 -5.918 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.190 -4.801 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.518 -7.235 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.080 -6.590 -8.245 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.824 -5.839 -7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.263 -6.421 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.442 -8.812 -6.670 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.972 -8.220 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.744 -7.438 -7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.213 -8.029 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.856 -9.648 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.418 -10.266 -6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.963 -9.693 -8.175 1.00 0.00 H new ATOM 86 N GLU A 10 -6.558 -3.806 -8.916 1.00 0.00 N ATOM 87 CA GLU A 10 -6.129 -2.781 -9.921 1.00 0.00 C ATOM 88 C GLU A 10 -6.400 -1.363 -9.359 1.00 0.00 C ATOM 89 O GLU A 10 -5.562 -0.472 -9.454 1.00 0.00 O ATOM 90 CB GLU A 10 -6.928 -3.005 -11.272 1.00 0.00 C ATOM 91 CG GLU A 10 -6.482 -4.360 -11.998 1.00 0.00 C ATOM 92 CD GLU A 10 -7.327 -4.640 -13.270 1.00 0.00 C ATOM 93 OE1 GLU A 10 -8.197 -3.837 -13.583 1.00 0.00 O ATOM 94 OE2 GLU A 10 -7.090 -5.659 -13.897 1.00 0.00 O ATOM 0 H GLU A 10 -7.329 -4.397 -9.227 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.062 -2.880 -10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.997 -3.038 -11.063 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.760 -2.160 -11.940 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.428 -4.297 -12.269 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.583 -5.194 -11.304 1.00 0.00 H new ATOM 101 N ASP A 11 -7.572 -1.210 -8.733 1.00 0.00 N ATOM 102 CA ASP A 11 -7.987 0.077 -8.098 1.00 0.00 C ATOM 103 C ASP A 11 -6.992 0.425 -6.945 1.00 0.00 C ATOM 104 O ASP A 11 -6.656 1.602 -6.729 1.00 0.00 O ATOM 105 CB ASP A 11 -9.457 -0.044 -7.530 1.00 0.00 C ATOM 106 CG ASP A 11 -10.521 -0.123 -8.658 1.00 0.00 C ATOM 107 OD1 ASP A 11 -10.173 0.048 -9.824 1.00 0.00 O ATOM 108 OD2 ASP A 11 -11.672 -0.349 -8.326 1.00 0.00 O ATOM 0 H ASP A 11 -8.262 -1.956 -8.644 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.970 0.871 -8.844 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.530 -0.932 -6.903 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.670 0.814 -6.893 1.00 0.00 H new ATOM 113 N PHE A 12 -6.533 -0.625 -6.213 1.00 0.00 N ATOM 114 CA PHE A 12 -5.572 -0.450 -5.086 1.00 0.00 C ATOM 115 C PHE A 12 -4.192 0.115 -5.583 1.00 0.00 C ATOM 116 O PHE A 12 -3.660 1.078 -5.008 1.00 0.00 O ATOM 117 CB PHE A 12 -5.365 -1.830 -4.339 1.00 0.00 C ATOM 118 CG PHE A 12 -4.739 -1.561 -2.934 1.00 0.00 C ATOM 119 CD1 PHE A 12 -5.559 -1.030 -1.905 1.00 0.00 C ATOM 120 CD2 PHE A 12 -3.357 -1.792 -2.674 1.00 0.00 C ATOM 121 CE1 PHE A 12 -5.025 -0.745 -0.663 1.00 0.00 C ATOM 122 CE2 PHE A 12 -2.832 -1.504 -1.404 1.00 0.00 C ATOM 123 CZ PHE A 12 -3.663 -0.984 -0.402 1.00 0.00 C ATOM 0 H PHE A 12 -6.809 -1.593 -6.379 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.993 0.278 -4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.319 -2.347 -4.233 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.713 -2.480 -4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.607 -0.848 -2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.717 -2.186 -3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.657 -0.336 0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.787 -1.683 -1.199 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.256 -0.766 0.574 1.00 0.00 H new ATOM 133 N LYS A 13 -3.625 -0.501 -6.659 1.00 0.00 N ATOM 134 CA LYS A 13 -2.318 -0.068 -7.240 1.00 0.00 C ATOM 135 C LYS A 13 -2.424 1.367 -7.809 1.00 0.00 C ATOM 136 O LYS A 13 -1.520 2.194 -7.621 1.00 0.00 O ATOM 137 CB LYS A 13 -1.887 -1.078 -8.369 1.00 0.00 C ATOM 138 CG LYS A 13 -1.540 -2.521 -7.752 1.00 0.00 C ATOM 139 CD LYS A 13 -1.031 -3.544 -8.874 1.00 0.00 C ATOM 140 CE LYS A 13 -2.177 -3.950 -9.883 1.00 0.00 C ATOM 141 NZ LYS A 13 -1.681 -5.025 -10.772 1.00 0.00 N ATOM 0 H LYS A 13 -4.049 -1.294 -7.140 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.562 -0.064 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.689 -1.175 -9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.018 -0.687 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.773 -2.413 -6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.425 -2.929 -7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.207 -3.092 -9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.639 -4.441 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.056 -4.290 -9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.483 -3.086 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.431 -5.297 -11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.854 -4.683 -11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.410 -5.850 -10.201 1.00 0.00 H new ATOM 155 N LYS A 14 -3.562 1.636 -8.504 1.00 0.00 N ATOM 156 CA LYS A 14 -3.832 2.970 -9.112 1.00 0.00 C ATOM 157 C LYS A 14 -3.858 4.032 -8.011 1.00 0.00 C ATOM 158 O LYS A 14 -3.325 5.124 -8.177 1.00 0.00 O ATOM 159 CB LYS A 14 -5.208 2.942 -9.890 1.00 0.00 C ATOM 160 CG LYS A 14 -5.087 2.106 -11.246 1.00 0.00 C ATOM 161 CD LYS A 14 -6.497 2.011 -11.989 1.00 0.00 C ATOM 162 CE LYS A 14 -6.347 1.277 -13.376 1.00 0.00 C ATOM 163 NZ LYS A 14 -5.812 -0.092 -13.143 1.00 0.00 N ATOM 0 H LYS A 14 -4.303 0.952 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.042 3.214 -9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.978 2.503 -9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.523 3.961 -10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.357 2.577 -11.904 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.719 1.104 -11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.208 1.473 -11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.901 3.012 -12.143 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.312 1.224 -13.880 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.677 1.837 -14.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.835 -0.148 -13.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.824 -0.301 -12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.402 -0.785 -13.645 1.00 0.00 H new ATOM 177 N MET A 15 -4.480 3.702 -6.867 1.00 0.00 N ATOM 178 CA MET A 15 -4.530 4.645 -5.745 1.00 0.00 C ATOM 179 C MET A 15 -3.097 4.889 -5.175 1.00 0.00 C ATOM 180 O MET A 15 -2.733 6.008 -4.918 1.00 0.00 O ATOM 181 CB MET A 15 -5.507 4.097 -4.624 1.00 0.00 C ATOM 182 CG MET A 15 -5.662 5.126 -3.409 1.00 0.00 C ATOM 183 SD MET A 15 -6.343 6.713 -4.026 1.00 0.00 S ATOM 184 CE MET A 15 -6.392 7.618 -2.475 1.00 0.00 C ATOM 0 H MET A 15 -4.945 2.810 -6.699 1.00 0.00 H new ATOM 0 HA MET A 15 -4.915 5.602 -6.098 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.486 3.901 -5.061 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.130 3.146 -4.248 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.321 4.708 -2.648 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.694 5.294 -2.936 1.00 0.00 H new ATOM 0 HE1 MET A 15 -6.897 8.572 -2.626 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.933 7.035 -1.730 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.375 7.797 -2.126 1.00 0.00 H new ATOM 194 N MET A 16 -2.313 3.796 -4.989 1.00 0.00 N ATOM 195 CA MET A 16 -0.920 3.882 -4.414 1.00 0.00 C ATOM 196 C MET A 16 0.059 4.713 -5.304 1.00 0.00 C ATOM 197 O MET A 16 0.846 5.516 -4.775 1.00 0.00 O ATOM 198 CB MET A 16 -0.345 2.415 -4.227 1.00 0.00 C ATOM 199 CG MET A 16 -0.933 1.694 -2.949 1.00 0.00 C ATOM 200 SD MET A 16 -0.283 2.506 -1.433 1.00 0.00 S ATOM 201 CE MET A 16 -1.013 1.411 -0.211 1.00 0.00 C ATOM 0 H MET A 16 -2.607 2.847 -5.222 1.00 0.00 H new ATOM 0 HA MET A 16 -0.996 4.399 -3.457 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.575 1.822 -5.113 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.741 2.461 -4.147 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.022 1.741 -2.961 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.659 0.639 -2.955 1.00 0.00 H new ATOM 0 HE1 MET A 16 -0.674 1.699 0.784 1.00 0.00 H new ATOM 0 HE2 MET A 16 -2.099 1.484 -0.259 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.709 0.384 -0.415 1.00 0.00 H new ATOM 211 N GLU A 17 0.022 4.515 -6.638 1.00 0.00 N ATOM 212 CA GLU A 17 0.930 5.263 -7.567 1.00 0.00 C ATOM 213 C GLU A 17 0.506 6.769 -7.633 1.00 0.00 C ATOM 214 O GLU A 17 1.353 7.669 -7.681 1.00 0.00 O ATOM 215 CB GLU A 17 0.942 4.535 -8.995 1.00 0.00 C ATOM 216 CG GLU A 17 -0.376 4.814 -9.803 1.00 0.00 C ATOM 217 CD GLU A 17 -0.487 3.912 -11.048 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.472 2.708 -10.873 1.00 0.00 O ATOM 219 OE2 GLU A 17 -0.612 4.442 -12.145 1.00 0.00 O ATOM 0 H GLU A 17 -0.609 3.860 -7.100 1.00 0.00 H new ATOM 0 HA GLU A 17 1.955 5.253 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.801 4.879 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.062 3.461 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.239 4.651 -9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.400 5.860 -10.109 1.00 0.00 H new ATOM 226 N GLU A 18 -0.851 7.003 -7.626 1.00 0.00 N ATOM 227 CA GLU A 18 -1.452 8.376 -7.676 1.00 0.00 C ATOM 228 C GLU A 18 -1.411 9.063 -6.285 1.00 0.00 C ATOM 229 O GLU A 18 -1.419 10.302 -6.205 1.00 0.00 O ATOM 230 CB GLU A 18 -2.965 8.288 -8.147 1.00 0.00 C ATOM 231 CG GLU A 18 -3.089 7.813 -9.668 1.00 0.00 C ATOM 232 CD GLU A 18 -4.572 7.650 -10.097 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.449 7.912 -9.285 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.794 7.257 -11.229 1.00 0.00 O ATOM 0 H GLU A 18 -1.544 6.256 -7.586 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.866 8.965 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.505 7.593 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.439 9.263 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.600 8.539 -10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.566 6.866 -9.798 1.00 0.00 H new ATOM 241 N ALA A 19 -1.380 8.250 -5.190 1.00 0.00 N ATOM 242 CA ALA A 19 -1.350 8.784 -3.795 1.00 0.00 C ATOM 243 C ALA A 19 0.096 9.058 -3.383 1.00 0.00 C ATOM 244 O ALA A 19 0.356 9.233 -2.189 1.00 0.00 O ATOM 245 CB ALA A 19 -1.996 7.737 -2.789 1.00 0.00 C ATOM 0 H ALA A 19 -1.375 7.231 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.925 9.710 -3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.967 8.140 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.031 7.548 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.434 6.804 -2.824 1.00 0.00 H new ATOM 251 N LYS A 20 1.060 9.003 -4.393 1.00 0.00 N ATOM 252 CA LYS A 20 2.537 9.135 -4.120 1.00 0.00 C ATOM 253 C LYS A 20 2.747 9.921 -2.816 1.00 0.00 C ATOM 254 O LYS A 20 2.321 11.074 -2.714 1.00 0.00 O ATOM 255 CB LYS A 20 3.267 9.866 -5.343 1.00 0.00 C ATOM 256 CG LYS A 20 4.882 9.725 -5.271 1.00 0.00 C ATOM 257 CD LYS A 20 5.385 8.315 -5.877 1.00 0.00 C ATOM 258 CE LYS A 20 6.939 8.148 -5.746 1.00 0.00 C ATOM 259 NZ LYS A 20 7.347 6.860 -6.379 1.00 0.00 N ATOM 0 H LYS A 20 0.833 8.871 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 20 2.973 8.142 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.909 9.443 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.997 10.922 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.344 10.544 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.209 9.814 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.886 7.497 -5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.099 8.247 -6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.449 8.982 -6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.231 8.160 -4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.355 6.686 -6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.782 6.083 -5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.189 6.912 -7.406 1.00 0.00 H new ATOM 273 N PHE A 21 3.337 9.232 -1.816 1.00 0.00 N ATOM 274 CA PHE A 21 3.550 9.767 -0.463 1.00 0.00 C ATOM 275 C PHE A 21 4.979 9.456 -0.029 1.00 0.00 C ATOM 276 O PHE A 21 5.698 8.723 -0.730 1.00 0.00 O ATOM 277 CB PHE A 21 2.480 9.101 0.497 1.00 0.00 C ATOM 278 CG PHE A 21 2.665 7.529 0.534 1.00 0.00 C ATOM 279 CD1 PHE A 21 2.107 6.701 -0.491 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.405 6.923 1.575 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.288 5.304 -0.447 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.579 5.530 1.608 1.00 0.00 C ATOM 283 CZ PHE A 21 3.021 4.723 0.599 1.00 0.00 C ATOM 0 H PHE A 21 3.681 8.279 -1.931 1.00 0.00 H new ATOM 0 HA PHE A 21 3.422 10.849 -0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.583 9.508 1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.474 9.346 0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.547 7.147 -1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.840 7.536 2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.862 4.680 -1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.143 5.077 2.410 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.158 3.652 0.630 1.00 0.00 H new ATOM 293 N ASN A 22 5.392 10.026 1.120 1.00 0.00 N ATOM 294 CA ASN A 22 6.759 9.817 1.667 1.00 0.00 C ATOM 295 C ASN A 22 7.137 8.259 1.663 1.00 0.00 C ATOM 296 O ASN A 22 6.402 7.463 2.248 1.00 0.00 O ATOM 297 CB ASN A 22 6.784 10.401 3.125 1.00 0.00 C ATOM 298 CG ASN A 22 6.613 11.938 3.085 1.00 0.00 C ATOM 299 OD1 ASN A 22 5.647 12.485 3.630 1.00 0.00 O ATOM 300 ND2 ASN A 22 7.497 12.657 2.449 1.00 0.00 N ATOM 0 H ASN A 22 4.805 10.634 1.690 1.00 0.00 H new ATOM 0 HA ASN A 22 7.499 10.326 1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.986 9.954 3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.725 10.145 3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.391 13.670 2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.294 12.206 2.000 1.00 0.00 H new ATOM 307 N PRO A 23 8.258 7.808 0.985 1.00 0.00 N ATOM 308 CA PRO A 23 8.634 6.326 0.917 1.00 0.00 C ATOM 309 C PRO A 23 9.078 5.773 2.285 1.00 0.00 C ATOM 310 O PRO A 23 9.130 4.545 2.462 1.00 0.00 O ATOM 311 CB PRO A 23 9.797 6.283 -0.161 1.00 0.00 C ATOM 312 CG PRO A 23 10.440 7.652 -0.079 1.00 0.00 C ATOM 313 CD PRO A 23 9.284 8.644 0.241 1.00 0.00 C ATOM 0 HA PRO A 23 7.791 5.693 0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.515 5.493 0.061 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.406 6.087 -1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.205 7.679 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.929 7.911 -1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.634 9.477 0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.863 9.070 -0.670 1.00 0.00 H new ATOM 321 N ARG A 24 9.413 6.687 3.232 1.00 0.00 N ATOM 322 CA ARG A 24 9.887 6.287 4.600 1.00 0.00 C ATOM 323 C ARG A 24 8.707 6.139 5.569 1.00 0.00 C ATOM 324 O ARG A 24 8.890 5.657 6.691 1.00 0.00 O ATOM 325 CB ARG A 24 10.903 7.360 5.127 1.00 0.00 C ATOM 326 CG ARG A 24 12.191 7.423 4.188 1.00 0.00 C ATOM 327 CD ARG A 24 13.176 8.551 4.664 1.00 0.00 C ATOM 328 NE ARG A 24 12.522 9.881 4.479 1.00 0.00 N ATOM 329 CZ ARG A 24 13.099 11.052 4.863 1.00 0.00 C ATOM 330 NH1 ARG A 24 14.276 11.065 5.441 1.00 0.00 N ATOM 331 NH2 ARG A 24 12.468 12.174 4.660 1.00 0.00 N ATOM 0 H ARG A 24 9.368 7.695 3.085 1.00 0.00 H new ATOM 0 HA ARG A 24 10.383 5.318 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.423 8.338 5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.201 7.116 6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.702 6.460 4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.887 7.611 3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.438 8.404 5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.104 8.506 4.094 1.00 0.00 H new ATOM 0 HE ARG A 24 11.600 9.913 4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.772 10.189 5.608 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.696 11.951 5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.549 12.170 4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.893 13.057 4.945 1.00 0.00 H new ATOM 345 N ALA A 25 7.478 6.517 5.119 1.00 0.00 N ATOM 346 CA ALA A 25 6.263 6.367 5.963 1.00 0.00 C ATOM 347 C ALA A 25 5.966 4.867 6.071 1.00 0.00 C ATOM 348 O ALA A 25 6.290 4.112 5.152 1.00 0.00 O ATOM 349 CB ALA A 25 5.048 7.114 5.336 1.00 0.00 C ATOM 0 H ALA A 25 7.306 6.919 4.197 1.00 0.00 H new ATOM 0 HA ALA A 25 6.434 6.803 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.174 6.987 5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.280 8.175 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.839 6.703 4.348 1.00 0.00 H new ATOM 355 N THR A 26 5.359 4.459 7.192 1.00 0.00 N ATOM 356 CA THR A 26 5.002 3.056 7.452 1.00 0.00 C ATOM 357 C THR A 26 3.544 2.830 7.053 1.00 0.00 C ATOM 358 O THR A 26 2.795 3.786 6.819 1.00 0.00 O ATOM 359 CB THR A 26 5.196 2.755 8.988 1.00 0.00 C ATOM 360 OG1 THR A 26 4.281 3.551 9.723 1.00 0.00 O ATOM 361 CG2 THR A 26 6.660 3.101 9.455 1.00 0.00 C ATOM 0 H THR A 26 5.100 5.093 7.948 1.00 0.00 H new ATOM 0 HA THR A 26 5.639 2.389 6.871 1.00 0.00 H new ATOM 0 HB THR A 26 5.020 1.693 9.162 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.692 2.971 10.249 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.764 2.883 10.518 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.373 2.501 8.890 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.857 4.159 9.280 1.00 0.00 H new ATOM 369 N PHE A 27 3.140 1.547 7.026 1.00 0.00 N ATOM 370 CA PHE A 27 1.755 1.152 6.705 1.00 0.00 C ATOM 371 C PHE A 27 0.754 1.771 7.728 1.00 0.00 C ATOM 372 O PHE A 27 -0.313 2.242 7.344 1.00 0.00 O ATOM 373 CB PHE A 27 1.639 -0.407 6.707 1.00 0.00 C ATOM 374 CG PHE A 27 0.136 -0.806 6.527 1.00 0.00 C ATOM 375 CD1 PHE A 27 -0.480 -0.688 5.256 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.640 -1.258 7.643 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.828 -1.022 5.105 1.00 0.00 C ATOM 378 CE2 PHE A 27 -1.978 -1.590 7.474 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.574 -1.474 6.216 1.00 0.00 C ATOM 0 H PHE A 27 3.758 0.760 7.224 1.00 0.00 H new ATOM 0 HA PHE A 27 1.503 1.529 5.714 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.240 -0.830 5.902 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.027 -0.812 7.642 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.091 -0.341 4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.183 -1.341 8.618 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.300 -0.935 4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.558 -1.938 8.316 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.615 -1.732 6.092 1.00 0.00 H new ATOM 389 N SER A 28 1.105 1.718 9.022 1.00 0.00 N ATOM 390 CA SER A 28 0.227 2.241 10.106 1.00 0.00 C ATOM 391 C SER A 28 -0.092 3.746 9.883 1.00 0.00 C ATOM 392 O SER A 28 -1.239 4.172 10.055 1.00 0.00 O ATOM 393 CB SER A 28 0.953 2.050 11.468 1.00 0.00 C ATOM 394 OG SER A 28 2.168 2.796 11.451 1.00 0.00 O ATOM 0 H SER A 28 1.985 1.322 9.353 1.00 0.00 H new ATOM 0 HA SER A 28 -0.716 1.694 10.101 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.315 2.386 12.286 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.161 0.994 11.640 1.00 0.00 H new ATOM 0 HG SER A 28 2.633 2.683 12.306 1.00 0.00 H new ATOM 400 N GLU A 29 0.925 4.537 9.467 1.00 0.00 N ATOM 401 CA GLU A 29 0.737 5.988 9.192 1.00 0.00 C ATOM 402 C GLU A 29 -0.123 6.191 7.908 1.00 0.00 C ATOM 403 O GLU A 29 -1.053 6.995 7.891 1.00 0.00 O ATOM 404 CB GLU A 29 2.152 6.668 9.012 1.00 0.00 C ATOM 405 CG GLU A 29 2.977 6.632 10.374 1.00 0.00 C ATOM 406 CD GLU A 29 4.379 7.265 10.182 1.00 0.00 C ATOM 407 OE1 GLU A 29 4.427 8.439 9.858 1.00 0.00 O ATOM 408 OE2 GLU A 29 5.371 6.564 10.357 1.00 0.00 O ATOM 0 H GLU A 29 1.876 4.203 9.315 1.00 0.00 H new ATOM 0 HA GLU A 29 0.214 6.449 10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.710 6.153 8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.025 7.700 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.432 7.171 11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.081 5.602 10.715 1.00 0.00 H new ATOM 415 N PHE A 30 0.203 5.425 6.834 1.00 0.00 N ATOM 416 CA PHE A 30 -0.540 5.501 5.544 1.00 0.00 C ATOM 417 C PHE A 30 -2.011 5.023 5.708 1.00 0.00 C ATOM 418 O PHE A 30 -2.954 5.637 5.186 1.00 0.00 O ATOM 419 CB PHE A 30 0.204 4.640 4.457 1.00 0.00 C ATOM 420 CG PHE A 30 -0.493 4.857 3.060 1.00 0.00 C ATOM 421 CD1 PHE A 30 -0.172 6.003 2.277 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.496 3.954 2.596 1.00 0.00 C ATOM 423 CE1 PHE A 30 -0.830 6.224 1.056 1.00 0.00 C ATOM 424 CE2 PHE A 30 -2.151 4.198 1.376 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.821 5.327 0.610 1.00 0.00 C ATOM 0 H PHE A 30 0.969 4.752 6.833 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.569 6.542 5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.254 4.929 4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.178 3.585 4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.576 6.701 2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.752 3.083 3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.575 7.085 0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.911 3.514 1.027 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.329 5.509 -0.326 1.00 0.00 H new ATOM 435 N ALA A 31 -2.172 3.903 6.431 1.00 0.00 N ATOM 436 CA ALA A 31 -3.494 3.288 6.687 1.00 0.00 C ATOM 437 C ALA A 31 -4.354 4.215 7.566 1.00 0.00 C ATOM 438 O ALA A 31 -5.537 4.336 7.342 1.00 0.00 O ATOM 439 CB ALA A 31 -3.290 1.900 7.358 1.00 0.00 C ATOM 0 H ALA A 31 -1.395 3.396 6.855 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.023 3.146 5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.261 1.442 7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.710 1.258 6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.757 2.026 8.300 1.00 0.00 H new ATOM 445 N ALA A 32 -3.718 4.880 8.554 1.00 0.00 N ATOM 446 CA ALA A 32 -4.430 5.824 9.471 1.00 0.00 C ATOM 447 C ALA A 32 -5.073 6.992 8.655 1.00 0.00 C ATOM 448 O ALA A 32 -6.203 7.415 8.945 1.00 0.00 O ATOM 449 CB ALA A 32 -3.409 6.387 10.526 1.00 0.00 C ATOM 0 H ALA A 32 -2.720 4.788 8.744 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.228 5.293 9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.922 7.076 11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.990 5.562 11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.606 6.914 10.010 1.00 0.00 H new ATOM 455 N LYS A 33 -4.348 7.469 7.616 1.00 0.00 N ATOM 456 CA LYS A 33 -4.839 8.544 6.708 1.00 0.00 C ATOM 457 C LYS A 33 -6.000 8.048 5.814 1.00 0.00 C ATOM 458 O LYS A 33 -6.982 8.786 5.589 1.00 0.00 O ATOM 459 CB LYS A 33 -3.640 9.044 5.811 1.00 0.00 C ATOM 460 CG LYS A 33 -2.505 9.752 6.676 1.00 0.00 C ATOM 461 CD LYS A 33 -2.952 11.205 7.182 1.00 0.00 C ATOM 462 CE LYS A 33 -1.822 11.851 8.068 1.00 0.00 C ATOM 463 NZ LYS A 33 -0.549 11.925 7.286 1.00 0.00 N ATOM 0 H LYS A 33 -3.416 7.127 7.381 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.222 9.364 7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.212 8.198 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.014 9.742 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.263 9.128 7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.597 9.840 6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.162 11.846 6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.875 11.129 7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.123 12.849 8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.672 11.259 8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.121 12.555 7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.135 10.974 7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.747 12.297 6.335 1.00 0.00 H new ATOM 477 N HIS A 34 -5.865 6.806 5.275 1.00 0.00 N ATOM 478 CA HIS A 34 -6.885 6.211 4.349 1.00 0.00 C ATOM 479 C HIS A 34 -7.846 5.287 5.117 1.00 0.00 C ATOM 480 O HIS A 34 -8.695 4.658 4.513 1.00 0.00 O ATOM 481 CB HIS A 34 -6.122 5.430 3.202 1.00 0.00 C ATOM 482 CG HIS A 34 -5.334 6.432 2.348 1.00 0.00 C ATOM 483 ND1 HIS A 34 -4.056 6.848 2.685 1.00 0.00 N ATOM 484 CD2 HIS A 34 -5.668 7.138 1.219 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.674 7.766 1.773 1.00 0.00 C ATOM 486 NE2 HIS A 34 -4.620 7.976 0.857 1.00 0.00 N ATOM 0 H HIS A 34 -5.068 6.196 5.460 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.492 7.000 3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.446 4.692 3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.833 4.885 2.581 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.505 6.520 3.478 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.606 7.055 0.690 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.719 8.269 1.784 1.00 0.00 H new ATOM 494 N ALA A 35 -7.651 5.168 6.463 1.00 0.00 N ATOM 495 CA ALA A 35 -8.475 4.255 7.319 1.00 0.00 C ATOM 496 C ALA A 35 -9.971 4.503 7.093 1.00 0.00 C ATOM 497 O ALA A 35 -10.773 3.550 7.114 1.00 0.00 O ATOM 498 CB ALA A 35 -8.127 4.452 8.847 1.00 0.00 C ATOM 0 H ALA A 35 -6.938 5.686 6.976 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.240 3.229 7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.737 3.779 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.073 4.230 9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.331 5.483 9.137 1.00 0.00 H new ATOM 504 N LYS A 36 -10.343 5.783 6.896 1.00 0.00 N ATOM 505 CA LYS A 36 -11.755 6.172 6.687 1.00 0.00 C ATOM 506 C LYS A 36 -12.171 5.945 5.217 1.00 0.00 C ATOM 507 O LYS A 36 -13.360 6.016 4.899 1.00 0.00 O ATOM 508 CB LYS A 36 -11.917 7.686 7.073 1.00 0.00 C ATOM 509 CG LYS A 36 -11.598 7.915 8.613 1.00 0.00 C ATOM 510 CD LYS A 36 -11.733 9.456 8.999 1.00 0.00 C ATOM 511 CE LYS A 36 -11.377 9.683 10.514 1.00 0.00 C ATOM 512 NZ LYS A 36 -12.286 8.846 11.352 1.00 0.00 N ATOM 0 H LYS A 36 -9.688 6.565 6.877 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.401 5.557 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.248 8.294 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.933 8.014 6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.281 7.322 9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.589 7.567 8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.071 10.053 8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.750 9.797 8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.337 9.415 10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.487 10.736 10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.254 9.178 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.259 8.923 10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.979 7.853 11.312 1.00 0.00 H new ATOM 526 N ASP A 37 -11.176 5.670 4.316 1.00 0.00 N ATOM 527 CA ASP A 37 -11.461 5.431 2.870 1.00 0.00 C ATOM 528 C ASP A 37 -12.293 4.130 2.713 1.00 0.00 C ATOM 529 O ASP A 37 -12.065 3.155 3.420 1.00 0.00 O ATOM 530 CB ASP A 37 -10.105 5.333 2.049 1.00 0.00 C ATOM 531 CG ASP A 37 -10.363 5.499 0.528 1.00 0.00 C ATOM 532 OD1 ASP A 37 -11.149 4.732 0.000 1.00 0.00 O ATOM 533 OD2 ASP A 37 -9.774 6.391 -0.071 1.00 0.00 O ATOM 0 H ASP A 37 -10.188 5.610 4.563 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.036 6.268 2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.413 6.103 2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.630 4.370 2.238 1.00 0.00 H new ATOM 538 N SER A 38 -13.266 4.149 1.788 1.00 0.00 N ATOM 539 CA SER A 38 -14.153 2.983 1.518 1.00 0.00 C ATOM 540 C SER A 38 -13.321 1.756 1.019 1.00 0.00 C ATOM 541 O SER A 38 -13.638 0.603 1.321 1.00 0.00 O ATOM 542 CB SER A 38 -15.235 3.399 0.481 1.00 0.00 C ATOM 543 OG SER A 38 -16.130 4.322 1.106 1.00 0.00 O ATOM 0 H SER A 38 -13.467 4.962 1.205 1.00 0.00 H new ATOM 0 HA SER A 38 -14.648 2.678 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.768 3.856 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.779 2.523 0.129 1.00 0.00 H new ATOM 0 HG SER A 38 -16.818 4.596 0.464 1.00 0.00 H new ATOM 549 N ARG A 39 -12.260 2.061 0.251 1.00 0.00 N ATOM 550 CA ARG A 39 -11.327 1.045 -0.323 1.00 0.00 C ATOM 551 C ARG A 39 -10.483 0.350 0.773 1.00 0.00 C ATOM 552 O ARG A 39 -10.063 -0.793 0.602 1.00 0.00 O ATOM 553 CB ARG A 39 -10.391 1.749 -1.382 1.00 0.00 C ATOM 554 CG ARG A 39 -11.231 2.163 -2.682 1.00 0.00 C ATOM 555 CD ARG A 39 -10.351 2.989 -3.685 1.00 0.00 C ATOM 556 NE ARG A 39 -10.052 4.312 -3.077 1.00 0.00 N ATOM 557 CZ ARG A 39 -9.342 5.271 -3.703 1.00 0.00 C ATOM 558 NH1 ARG A 39 -8.800 5.056 -4.880 1.00 0.00 N ATOM 559 NH2 ARG A 39 -9.190 6.422 -3.121 1.00 0.00 N ATOM 0 H ARG A 39 -12.015 3.020 0.004 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.917 0.267 -0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.933 2.634 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.580 1.077 -1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.607 1.267 -3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.099 2.752 -2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.426 2.456 -3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.876 3.118 -4.631 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.402 4.504 -2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.913 4.151 -5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.266 5.794 -5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.605 6.589 -2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.656 7.159 -3.581 1.00 0.00 H new ATOM 573 N PHE A 40 -10.232 1.059 1.895 1.00 0.00 N ATOM 574 CA PHE A 40 -9.434 0.478 3.026 1.00 0.00 C ATOM 575 C PHE A 40 -10.192 -0.726 3.694 1.00 0.00 C ATOM 576 O PHE A 40 -9.622 -1.807 3.902 1.00 0.00 O ATOM 577 CB PHE A 40 -9.129 1.588 4.083 1.00 0.00 C ATOM 578 CG PHE A 40 -8.548 0.927 5.376 1.00 0.00 C ATOM 579 CD1 PHE A 40 -7.200 0.530 5.419 1.00 0.00 C ATOM 580 CD2 PHE A 40 -9.391 0.677 6.510 1.00 0.00 C ATOM 581 CE1 PHE A 40 -6.690 -0.094 6.560 1.00 0.00 C ATOM 582 CE2 PHE A 40 -8.866 0.051 7.644 1.00 0.00 C ATOM 583 CZ PHE A 40 -7.518 -0.337 7.671 1.00 0.00 C ATOM 0 H PHE A 40 -10.556 2.013 2.052 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.494 0.098 2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.417 2.307 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.039 2.140 4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.558 0.708 4.569 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.430 0.972 6.487 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.652 -0.392 6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.498 -0.134 8.500 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.115 -0.823 8.547 1.00 0.00 H new ATOM 593 N LYS A 41 -11.469 -0.479 4.043 1.00 0.00 N ATOM 594 CA LYS A 41 -12.342 -1.488 4.723 1.00 0.00 C ATOM 595 C LYS A 41 -12.829 -2.563 3.724 1.00 0.00 C ATOM 596 O LYS A 41 -13.293 -3.635 4.140 1.00 0.00 O ATOM 597 CB LYS A 41 -13.571 -0.736 5.402 1.00 0.00 C ATOM 598 CG LYS A 41 -14.417 0.069 4.300 1.00 0.00 C ATOM 599 CD LYS A 41 -15.720 0.771 4.904 1.00 0.00 C ATOM 600 CE LYS A 41 -15.380 2.001 5.836 1.00 0.00 C ATOM 601 NZ LYS A 41 -16.650 2.650 6.260 1.00 0.00 N ATOM 0 H LYS A 41 -11.932 0.413 3.869 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.767 -2.003 5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.213 -1.458 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.207 -0.047 6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.781 0.827 3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.715 -0.616 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.358 1.107 4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.291 0.037 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.817 1.669 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.751 2.715 5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.437 3.462 6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.169 2.978 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.233 1.965 6.782 1.00 0.00 H new ATOM 615 N ALA A 42 -12.701 -2.271 2.398 1.00 0.00 N ATOM 616 CA ALA A 42 -13.109 -3.214 1.316 1.00 0.00 C ATOM 617 C ALA A 42 -12.236 -4.482 1.379 1.00 0.00 C ATOM 618 O ALA A 42 -12.715 -5.592 1.091 1.00 0.00 O ATOM 619 CB ALA A 42 -12.984 -2.509 -0.077 1.00 0.00 C ATOM 0 H ALA A 42 -12.319 -1.390 2.053 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.150 -3.507 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.283 -3.202 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.631 -1.632 -0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.951 -2.202 -0.238 1.00 0.00 H new ATOM 625 N ILE A 43 -10.957 -4.305 1.781 1.00 0.00 N ATOM 626 CA ILE A 43 -10.022 -5.435 1.909 1.00 0.00 C ATOM 627 C ILE A 43 -10.148 -5.983 3.356 1.00 0.00 C ATOM 628 O ILE A 43 -9.814 -5.285 4.322 1.00 0.00 O ATOM 629 CB ILE A 43 -8.522 -4.955 1.633 1.00 0.00 C ATOM 630 CG1 ILE A 43 -8.438 -4.006 0.322 1.00 0.00 C ATOM 631 CG2 ILE A 43 -7.554 -6.215 1.456 1.00 0.00 C ATOM 632 CD1 ILE A 43 -9.085 -4.657 -0.936 1.00 0.00 C ATOM 0 H ILE A 43 -10.556 -3.398 2.019 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.262 -6.209 1.180 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.197 -4.374 2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.935 -3.059 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.393 -3.777 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.537 -5.869 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.571 -6.817 2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.893 -6.819 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.999 -3.976 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.572 -5.590 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.138 -4.861 -0.740 1.00 0.00 H new ATOM 644 N GLU A 44 -10.651 -7.239 3.476 1.00 0.00 N ATOM 645 CA GLU A 44 -10.857 -7.921 4.780 1.00 0.00 C ATOM 646 C GLU A 44 -9.505 -8.291 5.438 1.00 0.00 C ATOM 647 O GLU A 44 -9.323 -8.121 6.651 1.00 0.00 O ATOM 648 CB GLU A 44 -11.706 -9.231 4.507 1.00 0.00 C ATOM 649 CG GLU A 44 -13.169 -8.860 3.981 1.00 0.00 C ATOM 650 CD GLU A 44 -13.987 -10.138 3.673 1.00 0.00 C ATOM 651 OE1 GLU A 44 -14.213 -10.896 4.598 1.00 0.00 O ATOM 652 OE2 GLU A 44 -14.361 -10.332 2.521 1.00 0.00 O ATOM 0 H GLU A 44 -10.924 -7.806 2.673 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.380 -7.255 5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.197 -9.853 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.782 -9.818 5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.689 -8.263 4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.092 -8.247 3.083 1.00 0.00 H new ATOM 659 N LYS A 45 -8.575 -8.822 4.610 1.00 0.00 N ATOM 660 CA LYS A 45 -7.237 -9.258 5.078 1.00 0.00 C ATOM 661 C LYS A 45 -6.293 -8.048 5.169 1.00 0.00 C ATOM 662 O LYS A 45 -6.126 -7.332 4.196 1.00 0.00 O ATOM 663 CB LYS A 45 -6.657 -10.299 4.038 1.00 0.00 C ATOM 664 CG LYS A 45 -7.543 -11.625 3.992 1.00 0.00 C ATOM 665 CD LYS A 45 -6.941 -12.677 2.949 1.00 0.00 C ATOM 666 CE LYS A 45 -7.808 -13.986 2.901 1.00 0.00 C ATOM 667 NZ LYS A 45 -7.208 -14.933 1.929 1.00 0.00 N ATOM 0 H LYS A 45 -8.727 -8.959 3.611 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.322 -9.714 6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.624 -9.846 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.632 -10.553 4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.585 -12.074 4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.566 -11.374 3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.901 -12.227 1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.917 -12.925 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.855 -14.442 3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.831 -13.748 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.779 -15.802 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.185 -14.495 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.239 -15.167 2.225 1.00 0.00 H new ATOM 681 N MET A 46 -5.656 -7.867 6.344 1.00 0.00 N ATOM 682 CA MET A 46 -4.691 -6.771 6.576 1.00 0.00 C ATOM 683 C MET A 46 -3.273 -7.247 6.149 1.00 0.00 C ATOM 684 O MET A 46 -2.422 -6.444 5.766 1.00 0.00 O ATOM 685 CB MET A 46 -4.749 -6.367 8.101 1.00 0.00 C ATOM 686 CG MET A 46 -3.906 -5.054 8.409 1.00 0.00 C ATOM 687 SD MET A 46 -4.026 -4.645 10.194 1.00 0.00 S ATOM 688 CE MET A 46 -2.629 -5.622 10.830 1.00 0.00 C ATOM 0 H MET A 46 -5.794 -8.471 7.154 1.00 0.00 H new ATOM 0 HA MET A 46 -4.938 -5.891 5.982 1.00 0.00 H new ATOM 0 HB2 MET A 46 -5.787 -6.207 8.393 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.371 -7.190 8.707 1.00 0.00 H new ATOM 0 HG2 MET A 46 -2.863 -5.206 8.130 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.278 -4.223 7.810 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.554 -5.490 11.909 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.789 -6.676 10.604 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.706 -5.286 10.358 1.00 0.00 H new ATOM 698 N LYS A 47 -3.051 -8.585 6.226 1.00 0.00 N ATOM 699 CA LYS A 47 -1.748 -9.226 5.855 1.00 0.00 C ATOM 700 C LYS A 47 -1.436 -9.011 4.352 1.00 0.00 C ATOM 701 O LYS A 47 -0.284 -8.764 3.965 1.00 0.00 O ATOM 702 CB LYS A 47 -1.808 -10.777 6.190 1.00 0.00 C ATOM 703 CG LYS A 47 -1.960 -11.047 7.762 1.00 0.00 C ATOM 704 CD LYS A 47 -0.634 -10.623 8.572 1.00 0.00 C ATOM 705 CE LYS A 47 -0.783 -10.901 10.102 1.00 0.00 C ATOM 706 NZ LYS A 47 0.481 -10.513 10.782 1.00 0.00 N ATOM 0 H LYS A 47 -3.757 -9.249 6.543 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.949 -8.762 6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.647 -11.230 5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.903 -11.262 5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.814 -10.489 8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.167 -12.104 7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.223 -11.174 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.432 -9.564 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.620 -10.335 10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.997 -11.956 10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.396 -10.693 11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.268 -11.072 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.664 -9.502 10.623 1.00 0.00 H new ATOM 720 N ASP A 48 -2.482 -9.100 3.508 1.00 0.00 N ATOM 721 CA ASP A 48 -2.334 -8.902 2.042 1.00 0.00 C ATOM 722 C ASP A 48 -1.921 -7.432 1.744 1.00 0.00 C ATOM 723 O ASP A 48 -1.167 -7.170 0.809 1.00 0.00 O ATOM 724 CB ASP A 48 -3.670 -9.292 1.309 1.00 0.00 C ATOM 725 CG ASP A 48 -3.486 -9.333 -0.231 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.761 -10.199 -0.695 1.00 0.00 O ATOM 727 OD2 ASP A 48 -4.075 -8.503 -0.915 1.00 0.00 O ATOM 0 H ASP A 48 -3.435 -9.306 3.808 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.546 -9.552 1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.008 -10.266 1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.449 -8.573 1.564 1.00 0.00 H new ATOM 732 N ARG A 49 -2.423 -6.483 2.564 1.00 0.00 N ATOM 733 CA ARG A 49 -2.097 -5.042 2.379 1.00 0.00 C ATOM 734 C ARG A 49 -0.578 -4.804 2.625 1.00 0.00 C ATOM 735 O ARG A 49 0.060 -4.018 1.910 1.00 0.00 O ATOM 736 CB ARG A 49 -2.924 -4.148 3.364 1.00 0.00 C ATOM 737 CG ARG A 49 -4.488 -4.313 3.128 1.00 0.00 C ATOM 738 CD ARG A 49 -5.298 -3.401 4.130 1.00 0.00 C ATOM 739 NE ARG A 49 -4.990 -1.983 3.825 1.00 0.00 N ATOM 740 CZ ARG A 49 -5.533 -1.318 2.799 1.00 0.00 C ATOM 741 NH1 ARG A 49 -6.407 -1.898 2.008 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.165 -0.087 2.587 1.00 0.00 N ATOM 0 H ARG A 49 -3.045 -6.678 3.349 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.354 -4.768 1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.680 -4.416 4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.643 -3.103 3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.737 -4.045 2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.774 -5.356 3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.368 -3.586 4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.027 -3.635 5.160 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.331 -1.490 4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.679 -2.867 2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.813 -1.379 1.229 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.476 0.352 3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.566 0.439 1.810 1.00 0.00 H new ATOM 756 N GLU A 50 -0.013 -5.510 3.657 1.00 0.00 N ATOM 757 CA GLU A 50 1.433 -5.386 4.006 1.00 0.00 C ATOM 758 C GLU A 50 2.291 -5.802 2.796 1.00 0.00 C ATOM 759 O GLU A 50 3.288 -5.141 2.470 1.00 0.00 O ATOM 760 CB GLU A 50 1.780 -6.317 5.246 1.00 0.00 C ATOM 761 CG GLU A 50 1.043 -5.839 6.572 1.00 0.00 C ATOM 762 CD GLU A 50 1.572 -4.462 7.051 1.00 0.00 C ATOM 763 OE1 GLU A 50 2.777 -4.334 7.186 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.774 -3.583 7.265 1.00 0.00 O ATOM 0 H GLU A 50 -0.531 -6.159 4.249 1.00 0.00 H new ATOM 0 HA GLU A 50 1.646 -4.350 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.492 -7.344 5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.858 -6.317 5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.030 -5.775 6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.189 -6.580 7.358 1.00 0.00 H new ATOM 771 N ALA A 51 1.893 -6.921 2.128 1.00 0.00 N ATOM 772 CA ALA A 51 2.639 -7.431 0.948 1.00 0.00 C ATOM 773 C ALA A 51 2.736 -6.337 -0.150 1.00 0.00 C ATOM 774 O ALA A 51 3.835 -6.014 -0.615 1.00 0.00 O ATOM 775 CB ALA A 51 1.912 -8.701 0.380 1.00 0.00 C ATOM 0 H ALA A 51 1.076 -7.476 2.382 1.00 0.00 H new ATOM 0 HA ALA A 51 3.650 -7.698 1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.458 -9.076 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.875 -9.473 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.897 -8.437 0.082 1.00 0.00 H new ATOM 781 N LEU A 52 1.563 -5.739 -0.526 1.00 0.00 N ATOM 782 CA LEU A 52 1.520 -4.643 -1.549 1.00 0.00 C ATOM 783 C LEU A 52 2.274 -3.397 -1.073 1.00 0.00 C ATOM 784 O LEU A 52 2.998 -2.778 -1.844 1.00 0.00 O ATOM 785 CB LEU A 52 0.008 -4.258 -1.887 1.00 0.00 C ATOM 786 CG LEU A 52 -0.654 -5.249 -2.995 1.00 0.00 C ATOM 787 CD1 LEU A 52 -0.011 -5.050 -4.446 1.00 0.00 C ATOM 788 CD2 LEU A 52 -0.540 -6.768 -2.558 1.00 0.00 C ATOM 0 H LEU A 52 0.651 -5.991 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 52 2.011 -5.016 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.585 -4.292 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.029 -3.232 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.708 -4.979 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.485 -5.733 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.167 -4.023 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.058 -5.259 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.992 -7.401 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.510 -7.035 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.059 -6.914 -1.611 1.00 0.00 H new ATOM 800 N PHE A 53 2.063 -3.014 0.218 1.00 0.00 N ATOM 801 CA PHE A 53 2.709 -1.806 0.796 1.00 0.00 C ATOM 802 C PHE A 53 4.248 -1.959 0.751 1.00 0.00 C ATOM 803 O PHE A 53 4.968 -1.068 0.292 1.00 0.00 O ATOM 804 CB PHE A 53 2.220 -1.622 2.284 1.00 0.00 C ATOM 805 CG PHE A 53 2.786 -0.274 2.856 1.00 0.00 C ATOM 806 CD1 PHE A 53 2.083 0.937 2.639 1.00 0.00 C ATOM 807 CD2 PHE A 53 4.037 -0.241 3.540 1.00 0.00 C ATOM 808 CE1 PHE A 53 2.606 2.142 3.099 1.00 0.00 C ATOM 809 CE2 PHE A 53 4.546 0.978 4.003 1.00 0.00 C ATOM 810 CZ PHE A 53 3.830 2.167 3.781 1.00 0.00 C ATOM 0 H PHE A 53 1.459 -3.518 0.868 1.00 0.00 H new ATOM 0 HA PHE A 53 2.432 -0.927 0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.131 -1.617 2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.557 -2.459 2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.139 0.925 2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.590 -1.154 3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.066 3.062 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.488 1.005 4.530 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.226 3.106 4.138 1.00 0.00 H new ATOM 820 N ASN A 54 4.716 -3.125 1.228 1.00 0.00 N ATOM 821 CA ASN A 54 6.165 -3.451 1.253 1.00 0.00 C ATOM 822 C ASN A 54 6.717 -3.499 -0.203 1.00 0.00 C ATOM 823 O ASN A 54 7.818 -3.000 -0.479 1.00 0.00 O ATOM 824 CB ASN A 54 6.382 -4.847 1.955 1.00 0.00 C ATOM 825 CG ASN A 54 6.027 -4.794 3.466 1.00 0.00 C ATOM 826 OD1 ASN A 54 6.341 -3.818 4.152 1.00 0.00 O ATOM 827 ND2 ASN A 54 5.390 -5.798 4.012 1.00 0.00 N ATOM 0 H ASN A 54 4.118 -3.861 1.603 1.00 0.00 H new ATOM 0 HA ASN A 54 6.699 -2.682 1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.767 -5.601 1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.420 -5.156 1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.154 -5.773 5.004 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.130 -6.606 3.446 1.00 0.00 H new ATOM 834 N GLU A 55 5.916 -4.109 -1.134 1.00 0.00 N ATOM 835 CA GLU A 55 6.313 -4.224 -2.559 1.00 0.00 C ATOM 836 C GLU A 55 6.318 -2.828 -3.218 1.00 0.00 C ATOM 837 O GLU A 55 7.199 -2.518 -4.011 1.00 0.00 O ATOM 838 CB GLU A 55 5.316 -5.194 -3.336 1.00 0.00 C ATOM 839 CG GLU A 55 5.850 -5.555 -4.814 1.00 0.00 C ATOM 840 CD GLU A 55 7.107 -6.484 -4.770 1.00 0.00 C ATOM 841 OE1 GLU A 55 7.448 -6.968 -3.695 1.00 0.00 O ATOM 842 OE2 GLU A 55 7.707 -6.682 -5.814 1.00 0.00 O ATOM 0 H GLU A 55 5.008 -4.519 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 55 7.317 -4.645 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.185 -6.113 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.336 -4.722 -3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.056 -6.045 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.097 -4.636 -5.345 1.00 0.00 H new ATOM 849 N PHE A 56 5.284 -1.995 -2.888 1.00 0.00 N ATOM 850 CA PHE A 56 5.141 -0.640 -3.472 1.00 0.00 C ATOM 851 C PHE A 56 6.352 0.259 -3.096 1.00 0.00 C ATOM 852 O PHE A 56 6.952 0.889 -3.962 1.00 0.00 O ATOM 853 CB PHE A 56 3.795 0.011 -2.961 1.00 0.00 C ATOM 854 CG PHE A 56 3.675 1.462 -3.548 1.00 0.00 C ATOM 855 CD1 PHE A 56 3.358 1.636 -4.919 1.00 0.00 C ATOM 856 CD2 PHE A 56 3.941 2.613 -2.737 1.00 0.00 C ATOM 857 CE1 PHE A 56 3.301 2.925 -5.470 1.00 0.00 C ATOM 858 CE2 PHE A 56 3.873 3.897 -3.302 1.00 0.00 C ATOM 859 CZ PHE A 56 3.556 4.054 -4.664 1.00 0.00 C ATOM 0 H PHE A 56 4.548 -2.243 -2.226 1.00 0.00 H new ATOM 0 HA PHE A 56 5.114 -0.726 -4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.943 -0.593 -3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.782 0.043 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.160 0.775 -5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.193 2.493 -1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.061 3.053 -6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.064 4.766 -2.690 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.508 5.043 -5.094 1.00 0.00 H new ATOM 869 N VAL A 57 6.697 0.287 -1.789 1.00 0.00 N ATOM 870 CA VAL A 57 7.841 1.099 -1.284 1.00 0.00 C ATOM 871 C VAL A 57 9.164 0.573 -1.884 1.00 0.00 C ATOM 872 O VAL A 57 10.021 1.359 -2.329 1.00 0.00 O ATOM 873 CB VAL A 57 7.857 1.028 0.313 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.173 1.712 0.928 1.00 0.00 C ATOM 875 CG2 VAL A 57 6.565 1.764 0.909 1.00 0.00 C ATOM 0 H VAL A 57 6.207 -0.238 -1.064 1.00 0.00 H new ATOM 0 HA VAL A 57 7.730 2.140 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 57 7.853 -0.026 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.145 1.642 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.059 1.198 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.210 2.760 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.585 1.710 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.565 2.808 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.664 1.275 0.538 1.00 0.00 H new ATOM 885 N ALA A 58 9.321 -0.768 -1.887 1.00 0.00 N ATOM 886 CA ALA A 58 10.539 -1.424 -2.423 1.00 0.00 C ATOM 887 C ALA A 58 10.660 -1.197 -3.960 1.00 0.00 C ATOM 888 O ALA A 58 11.749 -0.923 -4.477 1.00 0.00 O ATOM 889 CB ALA A 58 10.465 -2.956 -2.083 1.00 0.00 C ATOM 0 H ALA A 58 8.623 -1.418 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 58 11.427 -0.989 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.352 -3.458 -2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.415 -3.087 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.576 -3.388 -2.542 1.00 0.00 H new ATOM 895 N ALA A 59 9.502 -1.293 -4.672 1.00 0.00 N ATOM 896 CA ALA A 59 9.440 -1.077 -6.146 1.00 0.00 C ATOM 897 C ALA A 59 9.618 0.424 -6.505 1.00 0.00 C ATOM 898 O ALA A 59 10.281 0.763 -7.494 1.00 0.00 O ATOM 899 CB ALA A 59 8.056 -1.599 -6.675 1.00 0.00 C ATOM 0 H ALA A 59 8.601 -1.518 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 59 10.254 -1.626 -6.619 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.998 -1.447 -7.753 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.959 -2.662 -6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.250 -1.051 -6.187 1.00 0.00 H new ATOM 905 N ALA A 60 8.982 1.316 -5.691 1.00 0.00 N ATOM 906 CA ALA A 60 9.032 2.791 -5.924 1.00 0.00 C ATOM 907 C ALA A 60 10.472 3.348 -5.738 1.00 0.00 C ATOM 908 O ALA A 60 10.906 4.228 -6.494 1.00 0.00 O ATOM 909 CB ALA A 60 8.038 3.507 -4.931 1.00 0.00 C ATOM 0 H ALA A 60 8.434 1.043 -4.875 1.00 0.00 H new ATOM 0 HA ALA A 60 8.734 2.990 -6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.071 4.584 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.025 3.144 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.330 3.289 -3.904 1.00 0.00 H new ATOM 915 N ARG A 61 11.199 2.828 -4.702 1.00 0.00 N ATOM 916 CA ARG A 61 12.591 3.286 -4.407 1.00 0.00 C ATOM 917 C ARG A 61 13.577 2.791 -5.512 1.00 0.00 C ATOM 918 O ARG A 61 14.453 3.541 -5.963 1.00 0.00 O ATOM 919 CB ARG A 61 13.016 2.776 -2.975 1.00 0.00 C ATOM 920 CG ARG A 61 14.471 3.310 -2.548 1.00 0.00 C ATOM 921 CD ARG A 61 14.860 2.810 -1.105 1.00 0.00 C ATOM 922 NE ARG A 61 14.966 1.317 -1.095 1.00 0.00 N ATOM 923 CZ ARG A 61 15.202 0.597 0.041 1.00 0.00 C ATOM 924 NH1 ARG A 61 15.346 1.193 1.206 1.00 0.00 N ATOM 925 NH2 ARG A 61 15.292 -0.704 -0.028 1.00 0.00 N ATOM 0 H ARG A 61 10.852 2.106 -4.070 1.00 0.00 H new ATOM 0 HA ARG A 61 12.626 4.375 -4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.280 3.105 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.013 1.686 -2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.214 2.965 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.484 4.400 -2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.808 3.253 -0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.110 3.135 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 61 14.857 0.815 -1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.282 2.209 1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.522 0.639 2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.186 -1.176 -0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.468 -1.249 0.816 1.00 0.00 H new TER 939 ARG A 61