USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=8 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 Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.022) 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+ 142:sc= 0.523 (180deg=-0.475) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -99:sc= 0 (180deg=-0.0785) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0141 (180deg=-0.295) USER MOD Single : A 22 ASN : amide:sc= -2.81! K(o=-2.8!,f=0.15) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.314 K(o=-0.31,f=-2!) USER MOD Single : A 36 LYS NZ :NH3+ -132:sc= -0.163 (180deg=-0.819) 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= -0.106 K(o=-0.11,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -12.861 -9.088 -12.616 1.00 0.00 N ATOM 2 CA ILE A 5 -11.658 -8.752 -13.443 1.00 0.00 C ATOM 3 C ILE A 5 -10.586 -8.124 -12.498 1.00 0.00 C ATOM 4 O ILE A 5 -9.916 -7.162 -12.873 1.00 0.00 O ATOM 5 CB ILE A 5 -12.049 -7.696 -14.616 1.00 0.00 C ATOM 6 CG1 ILE A 5 -13.367 -8.217 -15.406 1.00 0.00 C ATOM 7 CG2 ILE A 5 -10.820 -7.516 -15.654 1.00 0.00 C ATOM 8 CD1 ILE A 5 -13.980 -7.097 -16.310 1.00 0.00 C ATOM 0 HA ILE A 5 -11.270 -9.653 -13.918 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.260 -6.729 -14.158 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.106 -9.079 -16.021 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.114 -8.553 -14.686 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.101 -6.806 -16.431 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.945 -7.143 -15.121 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.585 -8.478 -16.110 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.861 -7.484 -16.822 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -14.265 -6.246 -15.692 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.242 -6.779 -17.047 1.00 0.00 H new ATOM 20 N MET A 6 -10.435 -8.691 -11.267 1.00 0.00 N ATOM 21 CA MET A 6 -9.440 -8.176 -10.262 1.00 0.00 C ATOM 22 C MET A 6 -9.383 -6.610 -10.271 1.00 0.00 C ATOM 23 O MET A 6 -8.311 -6.003 -10.147 1.00 0.00 O ATOM 24 CB MET A 6 -8.032 -8.786 -10.627 1.00 0.00 C ATOM 25 CG MET A 6 -8.045 -10.351 -10.462 1.00 0.00 C ATOM 26 SD MET A 6 -6.399 -11.030 -10.866 1.00 0.00 S ATOM 27 CE MET A 6 -6.825 -12.790 -10.798 1.00 0.00 C ATOM 0 H MET A 6 -10.977 -9.492 -10.944 1.00 0.00 H new ATOM 0 HA MET A 6 -9.738 -8.476 -9.257 1.00 0.00 H new ATOM 0 HB2 MET A 6 -7.772 -8.526 -11.653 1.00 0.00 H new ATOM 0 HB3 MET A 6 -7.265 -8.354 -9.984 1.00 0.00 H new ATOM 0 HG2 MET A 6 -8.317 -10.616 -9.440 1.00 0.00 H new ATOM 0 HG3 MET A 6 -8.799 -10.788 -11.116 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.941 -13.387 -11.019 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.190 -13.038 -9.801 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.601 -13.005 -11.532 1.00 0.00 H new ATOM 37 N GLN A 7 -10.570 -5.981 -10.462 1.00 0.00 N ATOM 38 CA GLN A 7 -10.700 -4.511 -10.536 1.00 0.00 C ATOM 39 C GLN A 7 -10.209 -3.870 -9.221 1.00 0.00 C ATOM 40 O GLN A 7 -9.617 -2.792 -9.224 1.00 0.00 O ATOM 41 CB GLN A 7 -12.220 -4.142 -10.822 1.00 0.00 C ATOM 42 CG GLN A 7 -13.177 -4.658 -9.657 1.00 0.00 C ATOM 43 CD GLN A 7 -14.656 -4.404 -10.002 1.00 0.00 C ATOM 44 OE1 GLN A 7 -15.114 -4.804 -11.072 1.00 0.00 O ATOM 45 NE2 GLN A 7 -15.417 -3.753 -9.161 1.00 0.00 N ATOM 0 H GLN A 7 -11.455 -6.477 -10.568 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.083 -4.121 -11.346 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.320 -3.061 -10.924 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.530 -4.582 -11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.016 -5.724 -9.495 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.926 -4.152 -8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.033 -3.423 -8.275 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.395 -3.575 -9.391 1.00 0.00 H new ATOM 54 N ALA A 8 -10.498 -4.580 -8.095 1.00 0.00 N ATOM 55 CA ALA A 8 -10.129 -4.129 -6.733 1.00 0.00 C ATOM 56 C ALA A 8 -8.621 -3.927 -6.644 1.00 0.00 C ATOM 57 O ALA A 8 -8.150 -2.895 -6.153 1.00 0.00 O ATOM 58 CB ALA A 8 -10.578 -5.204 -5.664 1.00 0.00 C ATOM 0 H ALA A 8 -10.990 -5.474 -8.111 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.635 -3.185 -6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.302 -4.862 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.658 -5.339 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.084 -6.153 -5.872 1.00 0.00 H new ATOM 64 N LYS A 9 -7.868 -4.932 -7.113 1.00 0.00 N ATOM 65 CA LYS A 9 -6.397 -4.886 -7.082 1.00 0.00 C ATOM 66 C LYS A 9 -5.848 -3.752 -7.987 1.00 0.00 C ATOM 67 O LYS A 9 -4.916 -3.032 -7.600 1.00 0.00 O ATOM 68 CB LYS A 9 -5.795 -6.282 -7.519 1.00 0.00 C ATOM 69 CG LYS A 9 -4.203 -6.285 -7.374 1.00 0.00 C ATOM 70 CD LYS A 9 -3.583 -7.677 -7.764 1.00 0.00 C ATOM 71 CE LYS A 9 -2.015 -7.661 -7.580 1.00 0.00 C ATOM 72 NZ LYS A 9 -1.493 -8.988 -7.934 1.00 0.00 N ATOM 0 H LYS A 9 -8.251 -5.786 -7.518 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.089 -4.674 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.222 -7.075 -6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.071 -6.495 -8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.779 -5.507 -8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.931 -6.041 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.019 -8.461 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.830 -7.914 -8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.567 -6.896 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.756 -7.414 -6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.459 -8.997 -7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.917 -9.705 -7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.733 -9.203 -8.923 1.00 0.00 H new ATOM 86 N GLU A 10 -6.422 -3.623 -9.199 1.00 0.00 N ATOM 87 CA GLU A 10 -5.992 -2.588 -10.179 1.00 0.00 C ATOM 88 C GLU A 10 -6.302 -1.182 -9.634 1.00 0.00 C ATOM 89 O GLU A 10 -5.477 -0.262 -9.723 1.00 0.00 O ATOM 90 CB GLU A 10 -6.755 -2.822 -11.550 1.00 0.00 C ATOM 91 CG GLU A 10 -6.284 -4.177 -12.253 1.00 0.00 C ATOM 92 CD GLU A 10 -7.084 -4.472 -13.559 1.00 0.00 C ATOM 93 OE1 GLU A 10 -7.926 -3.661 -13.929 1.00 0.00 O ATOM 94 OE2 GLU A 10 -6.834 -5.506 -14.154 1.00 0.00 O ATOM 0 H GLU A 10 -7.183 -4.217 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.917 -2.666 -10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.829 -2.858 -11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.572 -1.981 -12.218 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.221 -4.113 -12.487 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.408 -5.007 -11.558 1.00 0.00 H new ATOM 101 N ASP A 11 -7.514 -1.057 -9.046 1.00 0.00 N ATOM 102 CA ASP A 11 -7.995 0.210 -8.448 1.00 0.00 C ATOM 103 C ASP A 11 -7.088 0.581 -7.257 1.00 0.00 C ATOM 104 O ASP A 11 -6.776 1.769 -7.036 1.00 0.00 O ATOM 105 CB ASP A 11 -9.501 0.069 -7.965 1.00 0.00 C ATOM 106 CG ASP A 11 -10.502 -0.032 -9.156 1.00 0.00 C ATOM 107 OD1 ASP A 11 -10.115 0.256 -10.279 1.00 0.00 O ATOM 108 OD2 ASP A 11 -11.648 -0.386 -8.908 1.00 0.00 O ATOM 0 H ASP A 11 -8.181 -1.825 -8.973 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.955 0.997 -9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.597 -0.817 -7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.763 0.927 -7.346 1.00 0.00 H new ATOM 113 N PHE A 12 -6.671 -0.450 -6.492 1.00 0.00 N ATOM 114 CA PHE A 12 -5.807 -0.247 -5.324 1.00 0.00 C ATOM 115 C PHE A 12 -4.447 0.288 -5.765 1.00 0.00 C ATOM 116 O PHE A 12 -3.940 1.277 -5.226 1.00 0.00 O ATOM 117 CB PHE A 12 -5.622 -1.609 -4.527 1.00 0.00 C ATOM 118 CG PHE A 12 -4.822 -1.327 -3.203 1.00 0.00 C ATOM 119 CD1 PHE A 12 -5.457 -0.606 -2.161 1.00 0.00 C ATOM 120 CD2 PHE A 12 -3.466 -1.726 -3.047 1.00 0.00 C ATOM 121 CE1 PHE A 12 -4.763 -0.289 -0.996 1.00 0.00 C ATOM 122 CE2 PHE A 12 -2.785 -1.410 -1.855 1.00 0.00 C ATOM 123 CZ PHE A 12 -3.434 -0.692 -0.832 1.00 0.00 C ATOM 0 H PHE A 12 -6.920 -1.424 -6.666 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.279 0.482 -4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.594 -2.043 -4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.089 -2.334 -5.141 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.487 -0.300 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.963 -2.266 -3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.254 0.272 -0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.759 -1.720 -1.725 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.905 -0.453 0.079 1.00 0.00 H new ATOM 133 N LYS A 13 -3.861 -0.391 -6.756 1.00 0.00 N ATOM 134 CA LYS A 13 -2.543 -0.025 -7.292 1.00 0.00 C ATOM 135 C LYS A 13 -2.577 1.366 -7.889 1.00 0.00 C ATOM 136 O LYS A 13 -1.653 2.179 -7.712 1.00 0.00 O ATOM 137 CB LYS A 13 -2.106 -1.058 -8.408 1.00 0.00 C ATOM 138 CG LYS A 13 -0.540 -0.965 -8.657 1.00 0.00 C ATOM 139 CD LYS A 13 -0.021 -2.037 -9.704 1.00 0.00 C ATOM 140 CE LYS A 13 -0.495 -1.715 -11.172 1.00 0.00 C ATOM 141 NZ LYS A 13 0.158 -2.680 -12.090 1.00 0.00 N ATOM 0 H LYS A 13 -4.281 -1.203 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.825 -0.044 -6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.374 -2.070 -8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.642 -0.852 -9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.292 0.035 -9.014 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.017 -1.105 -7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.068 -2.072 -9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.380 -3.026 -9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.580 -1.793 -11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.229 -0.693 -11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.141 -2.486 -13.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.191 -2.583 -12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.118 -3.648 -11.829 1.00 0.00 H new ATOM 155 N LYS A 14 -3.673 1.611 -8.624 1.00 0.00 N ATOM 156 CA LYS A 14 -3.896 2.885 -9.292 1.00 0.00 C ATOM 157 C LYS A 14 -3.885 4.001 -8.252 1.00 0.00 C ATOM 158 O LYS A 14 -3.359 5.088 -8.487 1.00 0.00 O ATOM 159 CB LYS A 14 -5.279 2.881 -10.072 1.00 0.00 C ATOM 160 CG LYS A 14 -5.471 4.237 -10.897 1.00 0.00 C ATOM 161 CD LYS A 14 -6.826 4.241 -11.735 1.00 0.00 C ATOM 162 CE LYS A 14 -6.966 5.596 -12.541 1.00 0.00 C ATOM 163 NZ LYS A 14 -5.791 5.723 -13.452 1.00 0.00 N ATOM 0 H LYS A 14 -4.420 0.931 -8.766 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.100 3.049 -10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.316 2.029 -10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.100 2.761 -9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.468 5.083 -10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.627 4.372 -11.573 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.838 3.397 -12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.677 4.118 -11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.893 5.603 -13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.008 6.443 -11.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.096 6.138 -14.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.076 6.337 -13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.382 4.783 -13.624 1.00 0.00 H new ATOM 177 N MET A 15 -4.502 3.725 -7.105 1.00 0.00 N ATOM 178 CA MET A 15 -4.564 4.707 -6.030 1.00 0.00 C ATOM 179 C MET A 15 -3.147 4.947 -5.418 1.00 0.00 C ATOM 180 O MET A 15 -2.771 6.081 -5.137 1.00 0.00 O ATOM 181 CB MET A 15 -5.565 4.205 -4.893 1.00 0.00 C ATOM 182 CG MET A 15 -5.872 5.350 -3.828 1.00 0.00 C ATOM 183 SD MET A 15 -6.862 6.674 -4.634 1.00 0.00 S ATOM 184 CE MET A 15 -7.089 7.770 -3.228 1.00 0.00 C ATOM 0 H MET A 15 -4.961 2.838 -6.899 1.00 0.00 H new ATOM 0 HA MET A 15 -4.927 5.648 -6.443 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.498 3.874 -5.350 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.135 3.342 -4.385 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.417 4.937 -2.979 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.940 5.761 -3.439 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.674 8.637 -3.534 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.614 7.239 -2.434 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.116 8.099 -2.862 1.00 0.00 H new ATOM 194 N MET A 16 -2.385 3.830 -5.215 1.00 0.00 N ATOM 195 CA MET A 16 -1.038 3.876 -4.570 1.00 0.00 C ATOM 196 C MET A 16 -0.002 4.691 -5.381 1.00 0.00 C ATOM 197 O MET A 16 0.775 5.479 -4.804 1.00 0.00 O ATOM 198 CB MET A 16 -0.491 2.387 -4.417 1.00 0.00 C ATOM 199 CG MET A 16 -1.421 1.478 -3.476 1.00 0.00 C ATOM 200 SD MET A 16 -0.415 0.829 -2.062 1.00 0.00 S ATOM 201 CE MET A 16 -0.393 2.304 -1.018 1.00 0.00 C ATOM 0 H MET A 16 -2.680 2.893 -5.488 1.00 0.00 H new ATOM 0 HA MET A 16 -1.163 4.368 -3.605 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.420 1.928 -5.403 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.518 2.416 -4.005 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.261 2.063 -3.101 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.840 0.651 -4.049 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.548 2.835 -1.159 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.222 2.956 -1.292 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.491 2.011 0.027 1.00 0.00 H new ATOM 211 N GLU A 17 0.008 4.503 -6.702 1.00 0.00 N ATOM 212 CA GLU A 17 0.948 5.218 -7.599 1.00 0.00 C ATOM 213 C GLU A 17 0.573 6.720 -7.670 1.00 0.00 C ATOM 214 O GLU A 17 1.446 7.600 -7.709 1.00 0.00 O ATOM 215 CB GLU A 17 0.942 4.504 -9.031 1.00 0.00 C ATOM 216 CG GLU A 17 -0.415 4.733 -9.795 1.00 0.00 C ATOM 217 CD GLU A 17 -0.527 3.836 -11.065 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.618 2.631 -10.899 1.00 0.00 O ATOM 219 OE2 GLU A 17 -0.542 4.378 -12.169 1.00 0.00 O ATOM 0 H GLU A 17 -0.622 3.862 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 17 1.965 5.171 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.766 4.888 -9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.111 3.435 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.249 4.520 -9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.497 5.781 -10.083 1.00 0.00 H new ATOM 226 N GLU A 18 -0.771 6.980 -7.686 1.00 0.00 N ATOM 227 CA GLU A 18 -1.338 8.369 -7.752 1.00 0.00 C ATOM 228 C GLU A 18 -1.310 9.050 -6.366 1.00 0.00 C ATOM 229 O GLU A 18 -1.386 10.286 -6.283 1.00 0.00 O ATOM 230 CB GLU A 18 -2.853 8.328 -8.268 1.00 0.00 C ATOM 231 CG GLU A 18 -2.952 7.890 -9.792 1.00 0.00 C ATOM 232 CD GLU A 18 -4.426 7.800 -10.289 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.337 8.078 -9.516 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.607 7.457 -11.445 1.00 0.00 O ATOM 0 H GLU A 18 -1.481 6.249 -7.654 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.721 8.940 -8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.426 7.634 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.305 9.312 -8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.406 8.604 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.468 6.922 -9.921 1.00 0.00 H new ATOM 241 N ALA A 19 -1.218 8.242 -5.289 1.00 0.00 N ATOM 242 CA ALA A 19 -1.200 8.760 -3.898 1.00 0.00 C ATOM 243 C ALA A 19 0.226 9.044 -3.489 1.00 0.00 C ATOM 244 O ALA A 19 0.493 9.173 -2.294 1.00 0.00 O ATOM 245 CB ALA A 19 -1.860 7.707 -2.922 1.00 0.00 C ATOM 0 H ALA A 19 -1.155 7.226 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.775 9.685 -3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.843 8.094 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.892 7.527 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.301 6.772 -2.964 1.00 0.00 H new ATOM 251 N LYS A 20 1.175 8.993 -4.492 1.00 0.00 N ATOM 252 CA LYS A 20 2.640 9.111 -4.226 1.00 0.00 C ATOM 253 C LYS A 20 2.861 9.840 -2.890 1.00 0.00 C ATOM 254 O LYS A 20 2.393 10.971 -2.733 1.00 0.00 O ATOM 255 CB LYS A 20 3.336 9.918 -5.393 1.00 0.00 C ATOM 256 CG LYS A 20 4.950 9.796 -5.344 1.00 0.00 C ATOM 257 CD LYS A 20 5.470 8.420 -6.002 1.00 0.00 C ATOM 258 CE LYS A 20 7.039 8.294 -5.881 1.00 0.00 C ATOM 259 NZ LYS A 20 7.381 8.190 -4.441 1.00 0.00 N ATOM 0 H LYS A 20 0.943 8.872 -5.478 1.00 0.00 H new ATOM 0 HA LYS A 20 3.077 8.114 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.975 9.549 -6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.051 10.968 -5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.394 10.641 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.287 9.853 -4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.994 7.573 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.178 8.381 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.394 7.416 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.526 9.161 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.355 7.839 -4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.303 9.127 -3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.725 7.531 -3.975 1.00 0.00 H new ATOM 273 N PHE A 21 3.476 9.144 -1.927 1.00 0.00 N ATOM 274 CA PHE A 21 3.680 9.662 -0.565 1.00 0.00 C ATOM 275 C PHE A 21 5.090 9.369 -0.118 1.00 0.00 C ATOM 276 O PHE A 21 5.841 8.677 -0.825 1.00 0.00 O ATOM 277 CB PHE A 21 2.616 9.000 0.387 1.00 0.00 C ATOM 278 CG PHE A 21 2.827 7.424 0.399 1.00 0.00 C ATOM 279 CD1 PHE A 21 2.289 6.613 -0.641 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.579 6.805 1.427 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.507 5.214 -0.643 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.788 5.405 1.417 1.00 0.00 C ATOM 283 CZ PHE A 21 3.255 4.613 0.386 1.00 0.00 C ATOM 0 H PHE A 21 3.847 8.205 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 21 3.545 10.743 -0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.716 9.399 1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.608 9.241 0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.712 7.068 -1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.995 7.404 2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.098 4.606 -1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.361 4.943 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.419 3.546 0.383 1.00 0.00 H new ATOM 293 N ASN A 22 5.454 9.907 1.061 1.00 0.00 N ATOM 294 CA ASN A 22 6.807 9.714 1.627 1.00 0.00 C ATOM 295 C ASN A 22 7.192 8.170 1.605 1.00 0.00 C ATOM 296 O ASN A 22 6.468 7.362 2.175 1.00 0.00 O ATOM 297 CB ASN A 22 6.844 10.289 3.082 1.00 0.00 C ATOM 298 CG ASN A 22 6.629 11.809 3.029 1.00 0.00 C ATOM 299 OD1 ASN A 22 7.535 12.591 3.333 1.00 0.00 O ATOM 300 ND2 ASN A 22 5.481 12.256 2.631 1.00 0.00 N ATOM 0 H ASN A 22 4.836 10.476 1.639 1.00 0.00 H new ATOM 0 HA ASN A 22 7.541 10.248 1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.070 9.821 3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.801 10.061 3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.320 13.261 2.567 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.738 11.603 2.382 1.00 0.00 H new ATOM 307 N PRO A 23 8.304 7.755 0.926 1.00 0.00 N ATOM 308 CA PRO A 23 8.696 6.288 0.829 1.00 0.00 C ATOM 309 C PRO A 23 9.158 5.716 2.192 1.00 0.00 C ATOM 310 O PRO A 23 9.242 4.496 2.358 1.00 0.00 O ATOM 311 CB PRO A 23 9.852 6.288 -0.253 1.00 0.00 C ATOM 312 CG PRO A 23 10.466 7.679 -0.162 1.00 0.00 C ATOM 313 CD PRO A 23 9.300 8.631 0.193 1.00 0.00 C ATOM 0 HA PRO A 23 7.862 5.645 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.591 5.514 -0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.460 6.092 -1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.245 7.714 0.600 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.930 7.964 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.638 9.457 0.819 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.859 9.070 -0.702 1.00 0.00 H new ATOM 321 N ARG A 24 9.492 6.618 3.141 1.00 0.00 N ATOM 322 CA ARG A 24 9.995 6.223 4.493 1.00 0.00 C ATOM 323 C ARG A 24 8.850 6.066 5.487 1.00 0.00 C ATOM 324 O ARG A 24 9.081 5.662 6.637 1.00 0.00 O ATOM 325 CB ARG A 24 11.002 7.303 4.996 1.00 0.00 C ATOM 326 CG ARG A 24 12.294 7.346 4.076 1.00 0.00 C ATOM 327 CD ARG A 24 13.267 8.463 4.556 1.00 0.00 C ATOM 328 NE ARG A 24 14.467 8.488 3.695 1.00 0.00 N ATOM 329 CZ ARG A 24 15.440 9.397 3.863 1.00 0.00 C ATOM 330 NH1 ARG A 24 15.333 10.301 4.809 1.00 0.00 N ATOM 331 NH2 ARG A 24 16.476 9.378 3.090 1.00 0.00 N ATOM 0 H ARG A 24 9.425 7.627 3.004 1.00 0.00 H new ATOM 0 HA ARG A 24 10.495 5.258 4.413 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.521 8.281 4.999 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.290 7.086 6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.798 6.380 4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.005 7.527 3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.767 9.431 4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.556 8.286 5.592 1.00 0.00 H new ATOM 0 HE ARG A 24 14.559 7.795 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.512 10.311 5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.071 10.993 4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.552 8.674 2.356 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.218 10.067 3.214 1.00 0.00 H new ATOM 345 N ALA A 25 7.614 6.352 5.034 1.00 0.00 N ATOM 346 CA ALA A 25 6.425 6.192 5.878 1.00 0.00 C ATOM 347 C ALA A 25 6.144 4.690 5.994 1.00 0.00 C ATOM 348 O ALA A 25 6.594 3.895 5.146 1.00 0.00 O ATOM 349 CB ALA A 25 5.211 6.946 5.265 1.00 0.00 C ATOM 0 H ALA A 25 7.418 6.693 4.093 1.00 0.00 H new ATOM 0 HA ALA A 25 6.595 6.619 6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.339 6.815 5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.445 8.007 5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.996 6.545 4.274 1.00 0.00 H new ATOM 355 N THR A 26 5.430 4.325 7.053 1.00 0.00 N ATOM 356 CA THR A 26 5.065 2.945 7.342 1.00 0.00 C ATOM 357 C THR A 26 3.621 2.732 6.927 1.00 0.00 C ATOM 358 O THR A 26 2.869 3.698 6.697 1.00 0.00 O ATOM 359 CB THR A 26 5.240 2.662 8.890 1.00 0.00 C ATOM 360 OG1 THR A 26 4.324 3.464 9.620 1.00 0.00 O ATOM 361 CG2 THR A 26 6.706 2.992 9.365 1.00 0.00 C ATOM 0 H THR A 26 5.084 4.990 7.744 1.00 0.00 H new ATOM 0 HA THR A 26 5.709 2.260 6.791 1.00 0.00 H new ATOM 0 HB THR A 26 5.046 1.604 9.070 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.429 3.290 10.579 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.797 2.788 10.432 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.415 2.373 8.815 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.921 4.044 9.177 1.00 0.00 H new ATOM 369 N PHE A 27 3.226 1.464 6.872 1.00 0.00 N ATOM 370 CA PHE A 27 1.859 1.065 6.535 1.00 0.00 C ATOM 371 C PHE A 27 0.845 1.636 7.559 1.00 0.00 C ATOM 372 O PHE A 27 -0.236 2.089 7.181 1.00 0.00 O ATOM 373 CB PHE A 27 1.756 -0.505 6.493 1.00 0.00 C ATOM 374 CG PHE A 27 0.249 -0.918 6.237 1.00 0.00 C ATOM 375 CD1 PHE A 27 -0.362 -0.607 4.992 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.535 -1.540 7.257 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.711 -0.905 4.766 1.00 0.00 C ATOM 378 CE2 PHE A 27 -1.898 -1.831 7.019 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.482 -1.519 5.773 1.00 0.00 C ATOM 0 H PHE A 27 3.847 0.678 7.061 1.00 0.00 H new ATOM 0 HA PHE A 27 1.615 1.470 5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.394 -0.903 5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.108 -0.930 7.433 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.220 -0.136 4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.087 -1.787 8.208 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.163 -0.663 3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.493 -2.293 7.793 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.521 -1.751 5.591 1.00 0.00 H new ATOM 389 N SER A 28 1.191 1.556 8.856 1.00 0.00 N ATOM 390 CA SER A 28 0.310 2.033 9.954 1.00 0.00 C ATOM 391 C SER A 28 -0.032 3.534 9.773 1.00 0.00 C ATOM 392 O SER A 28 -1.192 3.939 9.939 1.00 0.00 O ATOM 393 CB SER A 28 1.023 1.826 11.321 1.00 0.00 C ATOM 394 OG SER A 28 0.168 2.266 12.369 1.00 0.00 O ATOM 0 H SER A 28 2.077 1.165 9.177 1.00 0.00 H new ATOM 0 HA SER A 28 -0.616 1.459 9.928 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.273 0.774 11.458 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.960 2.382 11.343 1.00 0.00 H new ATOM 0 HG SER A 28 0.614 2.135 13.232 1.00 0.00 H new ATOM 400 N GLU A 29 0.985 4.340 9.406 1.00 0.00 N ATOM 401 CA GLU A 29 0.803 5.801 9.168 1.00 0.00 C ATOM 402 C GLU A 29 -0.024 6.046 7.897 1.00 0.00 C ATOM 403 O GLU A 29 -0.961 6.853 7.890 1.00 0.00 O ATOM 404 CB GLU A 29 2.235 6.484 9.042 1.00 0.00 C ATOM 405 CG GLU A 29 3.023 6.443 10.421 1.00 0.00 C ATOM 406 CD GLU A 29 2.307 7.298 11.498 1.00 0.00 C ATOM 407 OE1 GLU A 29 2.077 8.465 11.229 1.00 0.00 O ATOM 408 OE2 GLU A 29 1.999 6.773 12.561 1.00 0.00 O ATOM 0 H GLU A 29 1.941 4.013 9.266 1.00 0.00 H new ATOM 0 HA GLU A 29 0.261 6.239 10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.816 5.974 8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.119 7.518 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.105 5.412 10.766 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.038 6.812 10.275 1.00 0.00 H new ATOM 415 N PHE A 30 0.305 5.319 6.834 1.00 0.00 N ATOM 416 CA PHE A 30 -0.418 5.426 5.554 1.00 0.00 C ATOM 417 C PHE A 30 -1.900 4.954 5.698 1.00 0.00 C ATOM 418 O PHE A 30 -2.829 5.594 5.184 1.00 0.00 O ATOM 419 CB PHE A 30 0.320 4.570 4.482 1.00 0.00 C ATOM 420 CG PHE A 30 -0.363 4.829 3.084 1.00 0.00 C ATOM 421 CD1 PHE A 30 0.023 5.956 2.306 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.419 3.990 2.622 1.00 0.00 C ATOM 423 CE1 PHE A 30 -0.627 6.233 1.089 1.00 0.00 C ATOM 424 CE2 PHE A 30 -2.070 4.284 1.408 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.670 5.398 0.638 1.00 0.00 C ATOM 0 H PHE A 30 1.070 4.644 6.826 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.436 6.471 5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.376 4.837 4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.268 3.512 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.818 6.601 2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.719 3.130 3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.327 7.087 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.878 3.655 1.065 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.164 5.611 -0.298 1.00 0.00 H new ATOM 435 N ALA A 31 -2.080 3.807 6.392 1.00 0.00 N ATOM 436 CA ALA A 31 -3.413 3.198 6.622 1.00 0.00 C ATOM 437 C ALA A 31 -4.275 4.129 7.495 1.00 0.00 C ATOM 438 O ALA A 31 -5.455 4.269 7.257 1.00 0.00 O ATOM 439 CB ALA A 31 -3.241 1.806 7.315 1.00 0.00 C ATOM 0 H ALA A 31 -1.312 3.279 6.806 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.916 3.058 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.221 1.360 7.483 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.649 1.151 6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.732 1.936 8.270 1.00 0.00 H new ATOM 445 N ALA A 32 -3.644 4.769 8.504 1.00 0.00 N ATOM 446 CA ALA A 32 -4.342 5.705 9.432 1.00 0.00 C ATOM 447 C ALA A 32 -4.982 6.883 8.638 1.00 0.00 C ATOM 448 O ALA A 32 -6.117 7.309 8.933 1.00 0.00 O ATOM 449 CB ALA A 32 -3.314 6.268 10.491 1.00 0.00 C ATOM 0 H ALA A 32 -2.650 4.658 8.702 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.134 5.163 9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.827 6.952 11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.891 5.442 11.062 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.515 6.800 9.975 1.00 0.00 H new ATOM 455 N LYS A 33 -4.264 7.367 7.623 1.00 0.00 N ATOM 456 CA LYS A 33 -4.759 8.461 6.750 1.00 0.00 C ATOM 457 C LYS A 33 -5.908 7.980 5.818 1.00 0.00 C ATOM 458 O LYS A 33 -6.886 8.714 5.605 1.00 0.00 O ATOM 459 CB LYS A 33 -3.559 8.997 5.888 1.00 0.00 C ATOM 460 CG LYS A 33 -2.460 9.686 6.809 1.00 0.00 C ATOM 461 CD LYS A 33 -1.210 10.177 5.957 1.00 0.00 C ATOM 462 CE LYS A 33 -1.553 11.447 5.093 1.00 0.00 C ATOM 463 NZ LYS A 33 -0.323 11.878 4.394 1.00 0.00 N ATOM 0 H LYS A 33 -3.335 7.026 7.376 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.162 9.254 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.109 8.174 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.926 9.715 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.902 10.535 7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.128 8.981 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.381 10.406 6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.877 9.371 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.338 11.216 4.373 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.929 12.249 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.528 12.718 3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.411 12.110 5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.015 11.110 3.780 1.00 0.00 H new ATOM 477 N HIS A 34 -5.749 6.760 5.244 1.00 0.00 N ATOM 478 CA HIS A 34 -6.744 6.182 4.295 1.00 0.00 C ATOM 479 C HIS A 34 -7.710 5.257 5.047 1.00 0.00 C ATOM 480 O HIS A 34 -8.523 4.591 4.435 1.00 0.00 O ATOM 481 CB HIS A 34 -5.978 5.411 3.154 1.00 0.00 C ATOM 482 CG HIS A 34 -5.177 6.410 2.320 1.00 0.00 C ATOM 483 ND1 HIS A 34 -3.931 6.865 2.719 1.00 0.00 N ATOM 484 CD2 HIS A 34 -5.456 7.064 1.144 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.513 7.754 1.804 1.00 0.00 C ATOM 486 NE2 HIS A 34 -4.405 7.909 0.821 1.00 0.00 N ATOM 0 H HIS A 34 -4.945 6.157 5.419 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.335 6.977 3.841 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.312 4.665 3.587 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.687 4.877 2.521 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.424 6.577 3.556 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.356 6.939 0.561 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.571 8.280 1.856 1.00 0.00 H new ATOM 494 N ALA A 35 -7.544 5.152 6.392 1.00 0.00 N ATOM 495 CA ALA A 35 -8.372 4.222 7.238 1.00 0.00 C ATOM 496 C ALA A 35 -9.863 4.460 7.001 1.00 0.00 C ATOM 497 O ALA A 35 -10.661 3.510 6.983 1.00 0.00 O ATOM 498 CB ALA A 35 -8.046 4.440 8.776 1.00 0.00 C ATOM 0 H ALA A 35 -6.855 5.689 6.918 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.125 3.199 6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.652 3.761 9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.990 4.239 8.956 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.272 5.470 9.053 1.00 0.00 H new ATOM 504 N LYS A 36 -10.237 5.747 6.830 1.00 0.00 N ATOM 505 CA LYS A 36 -11.645 6.153 6.601 1.00 0.00 C ATOM 506 C LYS A 36 -12.072 5.832 5.161 1.00 0.00 C ATOM 507 O LYS A 36 -13.265 5.877 4.844 1.00 0.00 O ATOM 508 CB LYS A 36 -11.762 7.724 6.872 1.00 0.00 C ATOM 509 CG LYS A 36 -10.890 8.558 5.791 1.00 0.00 C ATOM 510 CD LYS A 36 -10.940 10.129 6.058 1.00 0.00 C ATOM 511 CE LYS A 36 -10.179 10.930 4.909 1.00 0.00 C ATOM 512 NZ LYS A 36 -8.767 10.468 4.860 1.00 0.00 N ATOM 0 H LYS A 36 -9.581 6.528 6.846 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.302 5.604 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.807 8.031 6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.415 7.951 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.855 8.219 5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.263 8.350 4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.977 10.459 6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.485 10.352 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.664 10.764 3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.219 12.001 5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.133 11.292 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.560 9.894 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.619 9.894 4.005 1.00 0.00 H new ATOM 526 N ASP A 37 -11.072 5.519 4.277 1.00 0.00 N ATOM 527 CA ASP A 37 -11.361 5.201 2.852 1.00 0.00 C ATOM 528 C ASP A 37 -12.205 3.908 2.808 1.00 0.00 C ATOM 529 O ASP A 37 -11.993 3.008 3.615 1.00 0.00 O ATOM 530 CB ASP A 37 -10.016 5.020 2.014 1.00 0.00 C ATOM 531 CG ASP A 37 -10.300 5.068 0.495 1.00 0.00 C ATOM 532 OD1 ASP A 37 -11.058 4.235 0.043 1.00 0.00 O ATOM 533 OD2 ASP A 37 -9.755 5.935 -0.180 1.00 0.00 O ATOM 0 H ASP A 37 -10.083 5.482 4.525 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.911 6.026 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.309 5.805 2.280 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.548 4.069 2.270 1.00 0.00 H new ATOM 538 N SER A 38 -13.188 3.852 1.898 1.00 0.00 N ATOM 539 CA SER A 38 -14.103 2.679 1.763 1.00 0.00 C ATOM 540 C SER A 38 -13.307 1.424 1.296 1.00 0.00 C ATOM 541 O SER A 38 -13.700 0.282 1.571 1.00 0.00 O ATOM 542 CB SER A 38 -15.204 3.041 0.725 1.00 0.00 C ATOM 543 OG SER A 38 -16.097 3.977 1.327 1.00 0.00 O ATOM 0 H SER A 38 -13.381 4.603 1.235 1.00 0.00 H new ATOM 0 HA SER A 38 -14.559 2.446 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.755 3.468 -0.172 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.744 2.146 0.416 1.00 0.00 H new ATOM 0 HG SER A 38 -16.798 4.219 0.686 1.00 0.00 H new ATOM 549 N ARG A 39 -12.189 1.678 0.586 1.00 0.00 N ATOM 550 CA ARG A 39 -11.304 0.617 0.062 1.00 0.00 C ATOM 551 C ARG A 39 -10.537 -0.090 1.195 1.00 0.00 C ATOM 552 O ARG A 39 -10.091 -1.233 1.034 1.00 0.00 O ATOM 553 CB ARG A 39 -10.264 1.231 -0.960 1.00 0.00 C ATOM 554 CG ARG A 39 -10.999 1.843 -2.229 1.00 0.00 C ATOM 555 CD ARG A 39 -9.942 2.413 -3.250 1.00 0.00 C ATOM 556 NE ARG A 39 -9.098 1.281 -3.711 1.00 0.00 N ATOM 557 CZ ARG A 39 -9.546 0.311 -4.556 1.00 0.00 C ATOM 558 NH1 ARG A 39 -10.773 0.324 -5.023 1.00 0.00 N ATOM 559 NH2 ARG A 39 -8.770 -0.658 -4.856 1.00 0.00 N ATOM 0 H ARG A 39 -11.875 2.622 0.360 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.934 -0.116 -0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.679 2.007 -0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.564 0.459 -1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.605 1.076 -2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.678 2.636 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.443 2.884 -4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.328 3.179 -2.776 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.135 1.227 -3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.413 1.071 -4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.086 -0.413 -5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.829 -0.698 -4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.091 -1.392 -5.487 1.00 0.00 H new ATOM 573 N PHE A 40 -10.366 0.609 2.329 1.00 0.00 N ATOM 574 CA PHE A 40 -9.631 0.042 3.474 1.00 0.00 C ATOM 575 C PHE A 40 -10.427 -1.154 4.108 1.00 0.00 C ATOM 576 O PHE A 40 -9.881 -2.250 4.312 1.00 0.00 O ATOM 577 CB PHE A 40 -9.374 1.166 4.525 1.00 0.00 C ATOM 578 CG PHE A 40 -8.653 0.542 5.760 1.00 0.00 C ATOM 579 CD1 PHE A 40 -7.276 0.239 5.680 1.00 0.00 C ATOM 580 CD2 PHE A 40 -9.378 0.216 6.950 1.00 0.00 C ATOM 581 CE1 PHE A 40 -6.626 -0.376 6.754 1.00 0.00 C ATOM 582 CE2 PHE A 40 -8.715 -0.410 8.022 1.00 0.00 C ATOM 583 CZ PHE A 40 -7.339 -0.702 7.927 1.00 0.00 C ATOM 0 H PHE A 40 -10.720 1.554 2.478 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.673 -0.349 3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.763 1.957 4.090 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.316 1.622 4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.723 0.483 4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.430 0.449 7.025 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.572 -0.603 6.685 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.261 -0.667 8.918 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.830 -1.176 8.753 1.00 0.00 H new ATOM 593 N LYS A 41 -11.709 -0.884 4.427 1.00 0.00 N ATOM 594 CA LYS A 41 -12.632 -1.871 5.067 1.00 0.00 C ATOM 595 C LYS A 41 -13.106 -2.927 4.064 1.00 0.00 C ATOM 596 O LYS A 41 -13.624 -3.978 4.462 1.00 0.00 O ATOM 597 CB LYS A 41 -13.887 -1.093 5.667 1.00 0.00 C ATOM 598 CG LYS A 41 -14.694 -0.333 4.505 1.00 0.00 C ATOM 599 CD LYS A 41 -15.998 0.410 5.048 1.00 0.00 C ATOM 600 CE LYS A 41 -15.651 1.659 5.928 1.00 0.00 C ATOM 601 NZ LYS A 41 -16.918 2.351 6.260 1.00 0.00 N ATOM 0 H LYS A 41 -12.143 0.022 4.252 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.093 -2.387 5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.547 -1.796 6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.552 -0.373 6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.038 0.395 4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.983 -1.052 3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.612 0.723 4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.594 -0.290 5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -15.134 1.353 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.980 2.329 5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.714 3.186 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.391 2.650 5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.540 1.704 6.785 1.00 0.00 H new ATOM 615 N ALA A 42 -12.925 -2.635 2.760 1.00 0.00 N ATOM 616 CA ALA A 42 -13.329 -3.547 1.665 1.00 0.00 C ATOM 617 C ALA A 42 -12.510 -4.845 1.762 1.00 0.00 C ATOM 618 O ALA A 42 -13.029 -5.943 1.460 1.00 0.00 O ATOM 619 CB ALA A 42 -13.096 -2.861 0.272 1.00 0.00 C ATOM 0 H ALA A 42 -12.498 -1.767 2.435 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.390 -3.779 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.397 -3.542 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.689 -1.948 0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.040 -2.616 0.159 1.00 0.00 H new ATOM 625 N ILE A 43 -11.238 -4.709 2.189 1.00 0.00 N ATOM 626 CA ILE A 43 -10.336 -5.860 2.344 1.00 0.00 C ATOM 627 C ILE A 43 -10.444 -6.333 3.787 1.00 0.00 C ATOM 628 O ILE A 43 -10.167 -5.580 4.735 1.00 0.00 O ATOM 629 CB ILE A 43 -8.825 -5.469 2.012 1.00 0.00 C ATOM 630 CG1 ILE A 43 -8.763 -4.581 0.665 1.00 0.00 C ATOM 631 CG2 ILE A 43 -7.911 -6.785 1.889 1.00 0.00 C ATOM 632 CD1 ILE A 43 -9.453 -5.254 -0.569 1.00 0.00 C ATOM 0 H ILE A 43 -10.816 -3.813 2.432 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.624 -6.647 1.647 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.429 -4.870 2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.237 -3.618 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.720 -4.380 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.885 -6.495 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.934 -7.333 2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.294 -7.420 1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.370 -4.597 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.964 -6.204 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.505 -5.430 -0.346 1.00 0.00 H new ATOM 644 N GLU A 44 -10.868 -7.592 3.945 1.00 0.00 N ATOM 645 CA GLU A 44 -11.042 -8.210 5.255 1.00 0.00 C ATOM 646 C GLU A 44 -9.662 -8.442 5.923 1.00 0.00 C ATOM 647 O GLU A 44 -9.507 -8.236 7.132 1.00 0.00 O ATOM 648 CB GLU A 44 -11.819 -9.591 5.075 1.00 0.00 C ATOM 649 CG GLU A 44 -12.162 -10.256 6.486 1.00 0.00 C ATOM 650 CD GLU A 44 -12.965 -11.570 6.319 1.00 0.00 C ATOM 651 OE1 GLU A 44 -12.543 -12.397 5.528 1.00 0.00 O ATOM 652 OE2 GLU A 44 -13.982 -11.721 6.985 1.00 0.00 O ATOM 0 H GLU A 44 -11.099 -8.207 3.165 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.623 -7.551 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.740 -9.422 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.211 -10.278 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.238 -10.460 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.736 -9.553 7.090 1.00 0.00 H new ATOM 659 N LYS A 45 -8.677 -8.924 5.096 1.00 0.00 N ATOM 660 CA LYS A 45 -7.300 -9.248 5.565 1.00 0.00 C ATOM 661 C LYS A 45 -6.345 -8.098 5.261 1.00 0.00 C ATOM 662 O LYS A 45 -5.962 -7.864 4.110 1.00 0.00 O ATOM 663 CB LYS A 45 -6.800 -10.563 4.836 1.00 0.00 C ATOM 664 CG LYS A 45 -7.696 -11.811 5.253 1.00 0.00 C ATOM 665 CD LYS A 45 -7.191 -13.133 4.538 1.00 0.00 C ATOM 666 CE LYS A 45 -8.062 -14.376 4.947 1.00 0.00 C ATOM 667 NZ LYS A 45 -7.532 -15.562 4.243 1.00 0.00 N ATOM 0 H LYS A 45 -8.820 -9.094 4.101 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.320 -9.405 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.841 -10.424 3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.758 -10.754 5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.663 -11.942 6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.736 -11.623 4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.229 -13.001 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.149 -13.315 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.026 -14.527 6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.107 -14.212 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.095 -16.398 4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.587 -15.409 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.541 -15.714 4.518 1.00 0.00 H new ATOM 681 N MET A 46 -5.936 -7.405 6.323 1.00 0.00 N ATOM 682 CA MET A 46 -5.000 -6.286 6.224 1.00 0.00 C ATOM 683 C MET A 46 -3.586 -6.792 5.892 1.00 0.00 C ATOM 684 O MET A 46 -2.683 -6.003 5.593 1.00 0.00 O ATOM 685 CB MET A 46 -5.018 -5.495 7.590 1.00 0.00 C ATOM 686 CG MET A 46 -6.441 -4.823 7.855 1.00 0.00 C ATOM 687 SD MET A 46 -7.666 -6.072 8.423 1.00 0.00 S ATOM 688 CE MET A 46 -9.116 -4.989 8.578 1.00 0.00 C ATOM 0 H MET A 46 -6.244 -7.603 7.275 1.00 0.00 H new ATOM 0 HA MET A 46 -5.301 -5.618 5.417 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.776 -6.173 8.408 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.247 -4.725 7.576 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.342 -4.038 8.605 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.798 -4.348 6.941 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.972 -5.573 8.917 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.906 -4.201 9.301 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.342 -4.542 7.610 1.00 0.00 H new ATOM 698 N LYS A 47 -3.401 -8.122 5.954 1.00 0.00 N ATOM 699 CA LYS A 47 -2.101 -8.759 5.660 1.00 0.00 C ATOM 700 C LYS A 47 -1.730 -8.552 4.193 1.00 0.00 C ATOM 701 O LYS A 47 -0.566 -8.284 3.853 1.00 0.00 O ATOM 702 CB LYS A 47 -2.195 -10.295 5.974 1.00 0.00 C ATOM 703 CG LYS A 47 -2.405 -10.529 7.532 1.00 0.00 C ATOM 704 CD LYS A 47 -2.486 -12.072 7.866 1.00 0.00 C ATOM 705 CE LYS A 47 -2.675 -12.312 9.409 1.00 0.00 C ATOM 706 NZ LYS A 47 -2.739 -13.767 9.642 1.00 0.00 N ATOM 0 H LYS A 47 -4.138 -8.781 6.206 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.330 -8.304 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.022 -10.736 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.286 -10.797 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.583 -10.076 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.320 -10.034 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.316 -12.521 7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.577 -12.568 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.848 -11.873 9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.587 -11.830 9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.864 -13.951 10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.542 -14.168 9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.856 -14.210 9.316 1.00 0.00 H new ATOM 720 N ASP A 48 -2.749 -8.682 3.319 1.00 0.00 N ATOM 721 CA ASP A 48 -2.549 -8.512 1.868 1.00 0.00 C ATOM 722 C ASP A 48 -2.139 -7.060 1.560 1.00 0.00 C ATOM 723 O ASP A 48 -1.311 -6.815 0.695 1.00 0.00 O ATOM 724 CB ASP A 48 -3.851 -8.899 1.076 1.00 0.00 C ATOM 725 CG ASP A 48 -3.595 -8.859 -0.451 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.789 -9.653 -0.907 1.00 0.00 O ATOM 727 OD2 ASP A 48 -4.190 -8.027 -1.124 1.00 0.00 O ATOM 0 H ASP A 48 -3.708 -8.902 3.590 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.749 -9.179 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.178 -9.897 1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.657 -8.211 1.333 1.00 0.00 H new ATOM 732 N ARG A 49 -2.723 -6.103 2.301 1.00 0.00 N ATOM 733 CA ARG A 49 -2.421 -4.665 2.110 1.00 0.00 C ATOM 734 C ARG A 49 -0.954 -4.377 2.452 1.00 0.00 C ATOM 735 O ARG A 49 -0.275 -3.585 1.776 1.00 0.00 O ATOM 736 CB ARG A 49 -3.349 -3.800 3.029 1.00 0.00 C ATOM 737 CG ARG A 49 -4.865 -3.911 2.584 1.00 0.00 C ATOM 738 CD ARG A 49 -5.785 -3.058 3.530 1.00 0.00 C ATOM 739 NE ARG A 49 -5.388 -1.642 3.417 1.00 0.00 N ATOM 740 CZ ARG A 49 -5.784 -0.840 2.400 1.00 0.00 C ATOM 741 NH1 ARG A 49 -6.523 -1.310 1.409 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.391 0.399 2.382 1.00 0.00 N ATOM 0 H ARG A 49 -3.404 -6.293 3.036 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.599 -4.409 1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.247 -4.127 4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.032 -2.758 2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.974 -3.567 1.556 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.180 -4.954 2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.832 -3.181 3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.687 -3.398 4.561 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.786 -1.248 4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.804 -2.291 1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.812 -0.692 0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.793 0.755 3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.681 1.015 1.623 1.00 0.00 H new ATOM 756 N GLU A 50 -0.484 -5.032 3.536 1.00 0.00 N ATOM 757 CA GLU A 50 0.907 -4.862 4.009 1.00 0.00 C ATOM 758 C GLU A 50 1.893 -5.363 2.921 1.00 0.00 C ATOM 759 O GLU A 50 2.936 -4.747 2.688 1.00 0.00 O ATOM 760 CB GLU A 50 1.139 -5.671 5.357 1.00 0.00 C ATOM 761 CG GLU A 50 2.608 -5.388 5.954 1.00 0.00 C ATOM 762 CD GLU A 50 2.870 -6.150 7.280 1.00 0.00 C ATOM 763 OE1 GLU A 50 1.919 -6.641 7.873 1.00 0.00 O ATOM 764 OE2 GLU A 50 4.028 -6.225 7.674 1.00 0.00 O ATOM 0 H GLU A 50 -1.042 -5.677 4.095 1.00 0.00 H new ATOM 0 HA GLU A 50 1.085 -3.804 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.384 -5.388 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.018 -6.738 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.358 -5.679 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.727 -4.318 6.124 1.00 0.00 H new ATOM 771 N ALA A 51 1.557 -6.532 2.289 1.00 0.00 N ATOM 772 CA ALA A 51 2.422 -7.147 1.247 1.00 0.00 C ATOM 773 C ALA A 51 2.671 -6.135 0.107 1.00 0.00 C ATOM 774 O ALA A 51 3.821 -5.901 -0.307 1.00 0.00 O ATOM 775 CB ALA A 51 1.720 -8.444 0.673 1.00 0.00 C ATOM 0 H ALA A 51 0.704 -7.055 2.485 1.00 0.00 H new ATOM 0 HA ALA A 51 3.379 -7.423 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.355 -8.894 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.561 -9.159 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.760 -8.174 0.233 1.00 0.00 H new ATOM 781 N LEU A 52 1.560 -5.520 -0.371 1.00 0.00 N ATOM 782 CA LEU A 52 1.625 -4.492 -1.447 1.00 0.00 C ATOM 783 C LEU A 52 2.362 -3.256 -1.016 1.00 0.00 C ATOM 784 O LEU A 52 3.124 -2.681 -1.786 1.00 0.00 O ATOM 785 CB LEU A 52 0.171 -4.117 -1.934 1.00 0.00 C ATOM 786 CG LEU A 52 -0.370 -5.151 -3.061 1.00 0.00 C ATOM 787 CD1 LEU A 52 0.452 -5.007 -4.453 1.00 0.00 C ATOM 788 CD2 LEU A 52 -0.324 -6.656 -2.529 1.00 0.00 C ATOM 0 H LEU A 52 0.617 -5.713 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 52 2.185 -4.929 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.510 -4.118 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.173 -3.105 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.409 -4.892 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.060 -5.716 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.342 -3.993 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.507 -5.215 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.692 -7.328 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.703 -6.921 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.951 -6.748 -1.642 1.00 0.00 H new ATOM 800 N PHE A 53 2.098 -2.823 0.215 1.00 0.00 N ATOM 801 CA PHE A 53 2.728 -1.625 0.765 1.00 0.00 C ATOM 802 C PHE A 53 4.272 -1.802 0.773 1.00 0.00 C ATOM 803 O PHE A 53 5.012 -0.920 0.346 1.00 0.00 O ATOM 804 CB PHE A 53 2.199 -1.421 2.215 1.00 0.00 C ATOM 805 CG PHE A 53 2.811 -0.097 2.787 1.00 0.00 C ATOM 806 CD1 PHE A 53 2.179 1.139 2.523 1.00 0.00 C ATOM 807 CD2 PHE A 53 4.032 -0.119 3.522 1.00 0.00 C ATOM 808 CE1 PHE A 53 2.751 2.329 2.974 1.00 0.00 C ATOM 809 CE2 PHE A 53 4.591 1.079 3.978 1.00 0.00 C ATOM 810 CZ PHE A 53 3.951 2.304 3.709 1.00 0.00 C ATOM 0 H PHE A 53 1.450 -3.286 0.852 1.00 0.00 H new ATOM 0 HA PHE A 53 2.486 -0.753 0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.110 -1.366 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.477 -2.268 2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.251 1.163 1.971 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.524 -1.058 3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.271 3.272 2.758 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.515 1.065 4.537 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.382 3.227 4.068 1.00 0.00 H new ATOM 820 N ASN A 54 4.717 -2.966 1.282 1.00 0.00 N ATOM 821 CA ASN A 54 6.167 -3.289 1.380 1.00 0.00 C ATOM 822 C ASN A 54 6.785 -3.344 -0.027 1.00 0.00 C ATOM 823 O ASN A 54 7.905 -2.854 -0.256 1.00 0.00 O ATOM 824 CB ASN A 54 6.355 -4.679 2.096 1.00 0.00 C ATOM 825 CG ASN A 54 5.984 -4.603 3.592 1.00 0.00 C ATOM 826 OD1 ASN A 54 5.894 -3.517 4.174 1.00 0.00 O ATOM 827 ND2 ASN A 54 5.788 -5.702 4.252 1.00 0.00 N ATOM 0 H ASN A 54 4.102 -3.701 1.632 1.00 0.00 H new ATOM 0 HA ASN A 54 6.667 -2.514 1.961 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.735 -5.429 1.605 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.390 -5.005 1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.561 -5.667 5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.861 -6.602 3.777 1.00 0.00 H new ATOM 834 N GLU A 55 6.028 -3.947 -0.967 1.00 0.00 N ATOM 835 CA GLU A 55 6.473 -4.076 -2.372 1.00 0.00 C ATOM 836 C GLU A 55 6.511 -2.698 -3.039 1.00 0.00 C ATOM 837 O GLU A 55 7.415 -2.405 -3.824 1.00 0.00 O ATOM 838 CB GLU A 55 5.490 -5.030 -3.181 1.00 0.00 C ATOM 839 CG GLU A 55 6.026 -5.290 -4.680 1.00 0.00 C ATOM 840 CD GLU A 55 5.102 -6.251 -5.483 1.00 0.00 C ATOM 841 OE1 GLU A 55 4.265 -6.906 -4.876 1.00 0.00 O ATOM 842 OE2 GLU A 55 5.262 -6.314 -6.695 1.00 0.00 O ATOM 0 H GLU A 55 5.110 -4.351 -0.781 1.00 0.00 H new ATOM 0 HA GLU A 55 7.473 -4.509 -2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.391 -5.981 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.497 -4.583 -3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.101 -4.338 -5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.031 -5.710 -4.636 1.00 0.00 H new ATOM 849 N PHE A 56 5.467 -1.874 -2.758 1.00 0.00 N ATOM 850 CA PHE A 56 5.331 -0.540 -3.373 1.00 0.00 C ATOM 851 C PHE A 56 6.525 0.351 -2.997 1.00 0.00 C ATOM 852 O PHE A 56 7.130 0.986 -3.861 1.00 0.00 O ATOM 853 CB PHE A 56 3.988 0.127 -2.878 1.00 0.00 C ATOM 854 CG PHE A 56 3.854 1.554 -3.538 1.00 0.00 C ATOM 855 CD1 PHE A 56 3.452 1.655 -4.891 1.00 0.00 C ATOM 856 CD2 PHE A 56 4.188 2.742 -2.815 1.00 0.00 C ATOM 857 CE1 PHE A 56 3.383 2.905 -5.517 1.00 0.00 C ATOM 858 CE2 PHE A 56 4.124 3.999 -3.457 1.00 0.00 C ATOM 859 CZ PHE A 56 3.717 4.082 -4.802 1.00 0.00 C ATOM 0 H PHE A 56 4.715 -2.114 -2.112 1.00 0.00 H new ATOM 0 HA PHE A 56 5.310 -0.649 -4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.135 -0.496 -3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.987 0.212 -1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.197 0.763 -5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.489 2.678 -1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.074 2.973 -6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.387 4.896 -2.916 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.659 5.044 -5.290 1.00 0.00 H new ATOM 869 N VAL A 57 6.845 0.382 -1.678 1.00 0.00 N ATOM 870 CA VAL A 57 7.978 1.190 -1.151 1.00 0.00 C ATOM 871 C VAL A 57 9.311 0.668 -1.725 1.00 0.00 C ATOM 872 O VAL A 57 10.168 1.456 -2.155 1.00 0.00 O ATOM 873 CB VAL A 57 7.996 1.109 0.451 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.330 1.770 1.060 1.00 0.00 C ATOM 875 CG2 VAL A 57 6.695 1.831 1.045 1.00 0.00 C ATOM 0 H VAL A 57 6.338 -0.140 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 57 7.851 2.229 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 57 7.989 0.058 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.308 1.697 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.204 1.243 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.383 2.819 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.712 1.773 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.687 2.877 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.800 1.335 0.669 1.00 0.00 H new ATOM 885 N ALA A 58 9.474 -0.683 -1.709 1.00 0.00 N ATOM 886 CA ALA A 58 10.704 -1.333 -2.211 1.00 0.00 C ATOM 887 C ALA A 58 10.864 -1.095 -3.734 1.00 0.00 C ATOM 888 O ALA A 58 11.966 -0.822 -4.218 1.00 0.00 O ATOM 889 CB ALA A 58 10.644 -2.875 -1.901 1.00 0.00 C ATOM 0 H ALA A 58 8.772 -1.333 -1.356 1.00 0.00 H new ATOM 0 HA ALA A 58 11.567 -0.897 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.550 -3.356 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.566 -3.027 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.775 -3.312 -2.393 1.00 0.00 H new ATOM 895 N ALA A 59 9.728 -1.180 -4.469 1.00 0.00 N ATOM 896 CA ALA A 59 9.695 -0.965 -5.940 1.00 0.00 C ATOM 897 C ALA A 59 9.893 0.533 -6.298 1.00 0.00 C ATOM 898 O ALA A 59 10.606 0.867 -7.263 1.00 0.00 O ATOM 899 CB ALA A 59 8.304 -1.461 -6.497 1.00 0.00 C ATOM 0 H ALA A 59 8.817 -1.397 -4.066 1.00 0.00 H new ATOM 0 HA ALA A 59 10.511 -1.529 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.269 -1.308 -7.576 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.181 -2.521 -6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.500 -0.897 -6.024 1.00 0.00 H new ATOM 905 N ALA A 60 9.215 1.430 -5.522 1.00 0.00 N ATOM 906 CA ALA A 60 9.270 2.902 -5.760 1.00 0.00 C ATOM 907 C ALA A 60 10.678 3.434 -5.508 1.00 0.00 C ATOM 908 O ALA A 60 11.180 4.285 -6.256 1.00 0.00 O ATOM 909 CB ALA A 60 8.257 3.634 -4.792 1.00 0.00 C ATOM 0 H ALA A 60 8.629 1.160 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 60 8.999 3.096 -6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.299 4.709 -4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.246 3.274 -4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.527 3.424 -3.757 1.00 0.00 H new ATOM 915 N ARG A 61 11.304 2.926 -4.419 1.00 0.00 N ATOM 916 CA ARG A 61 12.672 3.358 -4.045 1.00 0.00 C ATOM 917 C ARG A 61 13.690 2.839 -5.050 1.00 0.00 C ATOM 918 O ARG A 61 14.618 3.555 -5.451 1.00 0.00 O ATOM 919 CB ARG A 61 13.007 2.859 -2.597 1.00 0.00 C ATOM 920 CG ARG A 61 14.442 3.359 -2.122 1.00 0.00 C ATOM 921 CD ARG A 61 14.754 2.869 -0.686 1.00 0.00 C ATOM 922 NE ARG A 61 16.030 3.472 -0.236 1.00 0.00 N ATOM 923 CZ ARG A 61 16.537 3.241 0.976 1.00 0.00 C ATOM 924 NH1 ARG A 61 15.902 2.452 1.803 1.00 0.00 N ATOM 925 NH2 ARG A 61 17.651 3.803 1.320 1.00 0.00 N ATOM 0 H ARG A 61 10.894 2.231 -3.796 1.00 0.00 H new ATOM 0 HA ARG A 61 12.718 4.447 -4.057 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.248 3.219 -1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.973 1.770 -2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.205 2.992 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.481 4.448 -2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.946 3.148 -0.009 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.824 1.781 -0.666 1.00 0.00 H new ATOM 0 HE ARG A 61 16.538 4.084 -0.874 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.024 2.017 1.520 1.00 0.00 H new ATOM 0 HH12 ARG A 61 16.285 2.272 2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.135 4.418 0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.045 3.631 2.245 1.00 0.00 H new