USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 566 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 4 MET CE :methyl -149:sc= -0.141 (180deg=-0.955) USER MOD Set 1.2: A 63 CYS SG : rot 171:sc= 0.291 USER MOD Single : A 1 ALA N :NH3+ -102:sc= 0.0556 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0208) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.2 F(o=-1.8,f=-0.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 44:sc= 0.363 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 51:sc= -0.317 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -140:sc= -0.291 USER MOD Single : A 34 THR OG1 : rot -43:sc= 1.05 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 42 MET CE :methyl -150:sc=-0.00676 (180deg=-0.0819) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -26:sc= 0.0798 USER MOD Single : A 57 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.072) USER MOD Single : A 61 SER OG : rot 180:sc= -0.514 USER MOD Single : A 64 ASN : amide:sc= -0.0789 X(o=-0.079,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl 174:sc=-0.00144 (180deg=-0.0416) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.657 -3.377 1.209 1.00 0.00 N ATOM 2 CA ALA A 1 1.054 -2.924 -0.118 1.00 0.00 C ATOM 3 C ALA A 1 1.640 -4.069 -0.938 1.00 0.00 C ATOM 4 O ALA A 1 2.177 -5.028 -0.385 1.00 0.00 O ATOM 5 CB ALA A 1 2.056 -1.784 -0.009 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.375 -3.506 1.238 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.125 -4.281 1.421 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.937 -2.668 1.916 1.00 0.00 H new ATOM 0 HA ALA A 1 0.163 -2.563 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.344 -1.456 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.603 -0.952 0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.940 -2.127 0.529 1.00 0.00 H new ATOM 11 N ASP A 2 1.531 -3.961 -2.257 1.00 0.00 N ATOM 12 CA ASP A 2 2.050 -4.988 -3.153 1.00 0.00 C ATOM 13 C ASP A 2 2.614 -4.364 -4.426 1.00 0.00 C ATOM 14 O ASP A 2 2.219 -3.266 -4.818 1.00 0.00 O ATOM 15 CB ASP A 2 0.951 -5.991 -3.505 1.00 0.00 C ATOM 16 CG ASP A 2 0.491 -6.792 -2.303 1.00 0.00 C ATOM 17 OD1 ASP A 2 1.241 -7.688 -1.863 1.00 0.00 O ATOM 18 OD2 ASP A 2 -0.620 -6.521 -1.801 1.00 0.00 O ATOM 0 H ASP A 2 1.088 -3.173 -2.730 1.00 0.00 H new ATOM 0 HA ASP A 2 2.856 -5.511 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.100 -5.459 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.317 -6.672 -4.273 1.00 0.00 H new ATOM 23 N ASP A 3 3.538 -5.071 -5.067 1.00 0.00 N ATOM 24 CA ASP A 3 4.156 -4.587 -6.296 1.00 0.00 C ATOM 25 C ASP A 3 3.112 -4.398 -7.391 1.00 0.00 C ATOM 26 O ASP A 3 3.284 -3.577 -8.292 1.00 0.00 O ATOM 27 CB ASP A 3 5.237 -5.562 -6.767 1.00 0.00 C ATOM 28 CG ASP A 3 6.456 -5.553 -5.866 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.402 -6.181 -4.788 1.00 0.00 O ATOM 30 OD2 ASP A 3 7.465 -4.918 -6.238 1.00 0.00 O ATOM 0 H ASP A 3 3.876 -5.982 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 3 4.615 -3.621 -6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.823 -6.570 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.537 -5.304 -7.783 1.00 0.00 H new ATOM 35 N MET A 4 2.029 -5.164 -7.308 1.00 0.00 N ATOM 36 CA MET A 4 0.956 -5.081 -8.292 1.00 0.00 C ATOM 37 C MET A 4 0.587 -3.627 -8.572 1.00 0.00 C ATOM 38 O MET A 4 0.390 -3.239 -9.723 1.00 0.00 O ATOM 39 CB MET A 4 -0.274 -5.847 -7.804 1.00 0.00 C ATOM 40 CG MET A 4 -0.319 -7.291 -8.278 1.00 0.00 C ATOM 41 SD MET A 4 1.183 -8.202 -7.872 1.00 0.00 S ATOM 42 CE MET A 4 1.748 -8.670 -9.506 1.00 0.00 C ATOM 0 H MET A 4 1.871 -5.849 -6.569 1.00 0.00 H new ATOM 0 HA MET A 4 1.311 -5.532 -9.218 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.293 -5.830 -6.714 1.00 0.00 H new ATOM 0 HB3 MET A 4 -1.172 -5.333 -8.147 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.176 -7.791 -7.827 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.471 -7.311 -9.357 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.276 -9.622 -9.450 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.891 -8.769 -10.173 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.421 -7.904 -9.892 1.00 0.00 H new ATOM 52 N GLU A 5 0.495 -2.830 -7.512 1.00 0.00 N ATOM 53 CA GLU A 5 0.147 -1.421 -7.645 1.00 0.00 C ATOM 54 C GLU A 5 1.143 -0.698 -8.548 1.00 0.00 C ATOM 55 O GLU A 5 0.756 0.090 -9.411 1.00 0.00 O ATOM 56 CB GLU A 5 0.109 -0.750 -6.270 1.00 0.00 C ATOM 57 CG GLU A 5 -0.696 0.539 -6.244 1.00 0.00 C ATOM 58 CD GLU A 5 -1.550 0.668 -4.997 1.00 0.00 C ATOM 59 OE1 GLU A 5 -1.091 0.238 -3.918 1.00 0.00 O ATOM 60 OE2 GLU A 5 -2.675 1.198 -5.101 1.00 0.00 O ATOM 0 H GLU A 5 0.657 -3.136 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.842 -1.359 -8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.314 -1.447 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.129 -0.538 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.016 1.389 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.337 0.581 -7.125 1.00 0.00 H new ATOM 67 N ARG A 6 2.427 -0.972 -8.341 1.00 0.00 N ATOM 68 CA ARG A 6 3.479 -0.347 -9.135 1.00 0.00 C ATOM 69 C ARG A 6 3.244 -0.576 -10.625 1.00 0.00 C ATOM 70 O ARG A 6 3.084 0.375 -11.391 1.00 0.00 O ATOM 71 CB ARG A 6 4.847 -0.901 -8.733 1.00 0.00 C ATOM 72 CG ARG A 6 5.243 -0.567 -7.304 1.00 0.00 C ATOM 73 CD ARG A 6 5.340 0.936 -7.089 1.00 0.00 C ATOM 74 NE ARG A 6 6.159 1.271 -5.927 1.00 0.00 N ATOM 75 CZ ARG A 6 5.744 1.136 -4.672 1.00 0.00 C ATOM 76 NH1 ARG A 6 4.526 0.676 -4.419 1.00 0.00 N ATOM 77 NH2 ARG A 6 6.547 1.462 -3.668 1.00 0.00 N ATOM 0 H ARG A 6 2.764 -1.622 -7.631 1.00 0.00 H new ATOM 0 HA ARG A 6 3.457 0.726 -8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.841 -1.984 -8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.603 -0.507 -9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.511 -0.988 -6.615 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.202 -1.031 -7.073 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.764 1.403 -7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.340 1.349 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 6 7.101 1.628 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.906 0.425 -5.189 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.210 0.573 -3.455 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.484 1.817 -3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.227 1.358 -2.705 1.00 0.00 H new ATOM 91 N ILE A 7 3.224 -1.841 -11.029 1.00 0.00 N ATOM 92 CA ILE A 7 3.008 -2.194 -12.426 1.00 0.00 C ATOM 93 C ILE A 7 1.689 -1.626 -12.939 1.00 0.00 C ATOM 94 O ILE A 7 1.634 -1.028 -14.014 1.00 0.00 O ATOM 95 CB ILE A 7 3.009 -3.721 -12.629 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.250 -4.341 -11.983 1.00 0.00 C ATOM 97 CG2 ILE A 7 2.952 -4.059 -14.111 1.00 0.00 C ATOM 98 CD1 ILE A 7 3.963 -5.040 -10.672 1.00 0.00 C ATOM 0 H ILE A 7 3.355 -2.639 -10.408 1.00 0.00 H new ATOM 0 HA ILE A 7 3.833 -1.760 -12.991 1.00 0.00 H new ATOM 0 HB ILE A 7 2.124 -4.138 -12.148 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.693 -5.055 -12.677 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.991 -3.559 -11.814 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.953 -5.142 -14.238 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.042 -3.644 -14.544 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.820 -3.634 -14.615 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.888 -5.456 -10.271 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.549 -4.325 -9.961 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.246 -5.844 -10.838 1.00 0.00 H new ATOM 110 N PHE A 8 0.628 -1.815 -12.162 1.00 0.00 N ATOM 111 CA PHE A 8 -0.692 -1.320 -12.537 1.00 0.00 C ATOM 112 C PHE A 8 -0.642 0.169 -12.864 1.00 0.00 C ATOM 113 O PHE A 8 -1.304 0.636 -13.791 1.00 0.00 O ATOM 114 CB PHE A 8 -1.694 -1.573 -11.408 1.00 0.00 C ATOM 115 CG PHE A 8 -3.028 -0.920 -11.634 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.981 -1.522 -12.439 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.328 0.295 -11.040 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.210 -0.924 -12.648 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.555 0.898 -11.246 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.496 0.288 -12.051 1.00 0.00 C ATOM 0 H PHE A 8 0.656 -2.307 -11.269 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.015 -1.858 -13.428 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.839 -2.647 -11.295 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.274 -1.208 -10.471 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.762 -2.469 -12.909 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.595 0.776 -10.409 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.945 -1.404 -13.277 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.777 1.845 -10.778 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.455 0.758 -12.214 1.00 0.00 H new ATOM 130 N LYS A 9 0.147 0.911 -12.094 1.00 0.00 N ATOM 131 CA LYS A 9 0.285 2.348 -12.300 1.00 0.00 C ATOM 132 C LYS A 9 1.246 2.643 -13.448 1.00 0.00 C ATOM 133 O LYS A 9 1.230 3.734 -14.018 1.00 0.00 O ATOM 134 CB LYS A 9 0.782 3.022 -11.019 1.00 0.00 C ATOM 135 CG LYS A 9 -0.255 3.059 -9.910 1.00 0.00 C ATOM 136 CD LYS A 9 0.395 3.024 -8.537 1.00 0.00 C ATOM 137 CE LYS A 9 1.214 4.279 -8.277 1.00 0.00 C ATOM 138 NZ LYS A 9 0.347 5.463 -8.021 1.00 0.00 N ATOM 0 H LYS A 9 0.701 0.541 -11.321 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.695 2.749 -12.558 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.666 2.495 -10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.090 4.041 -11.251 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.858 3.962 -10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.932 2.211 -10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.374 2.925 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.037 2.147 -8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.868 4.115 -7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.857 4.478 -9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.940 6.278 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.198 5.686 -8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.307 5.252 -7.240 1.00 0.00 H new ATOM 152 N ARG A 10 2.081 1.664 -13.781 1.00 0.00 N ATOM 153 CA ARG A 10 3.048 1.819 -14.861 1.00 0.00 C ATOM 154 C ARG A 10 2.352 2.201 -16.164 1.00 0.00 C ATOM 155 O ARG A 10 2.654 3.234 -16.762 1.00 0.00 O ATOM 156 CB ARG A 10 3.841 0.525 -15.053 1.00 0.00 C ATOM 157 CG ARG A 10 5.094 0.698 -15.897 1.00 0.00 C ATOM 158 CD ARG A 10 5.661 -0.643 -16.334 1.00 0.00 C ATOM 159 NE ARG A 10 7.016 -0.518 -16.864 1.00 0.00 N ATOM 160 CZ ARG A 10 7.290 -0.053 -18.078 1.00 0.00 C ATOM 161 NH1 ARG A 10 6.307 0.329 -18.882 1.00 0.00 N ATOM 162 NH2 ARG A 10 8.548 0.031 -18.490 1.00 0.00 N ATOM 0 H ARG A 10 2.107 0.755 -13.318 1.00 0.00 H new ATOM 0 HA ARG A 10 3.734 2.621 -14.588 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.123 0.133 -14.076 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.197 -0.219 -15.522 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.862 1.300 -16.776 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.846 1.244 -15.327 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.665 -1.328 -15.486 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.013 -1.080 -17.094 1.00 0.00 H new ATOM 0 HE ARG A 10 7.794 -0.803 -16.270 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.338 0.266 -18.569 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.520 0.686 -19.814 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.307 -0.262 -17.874 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.757 0.388 -19.422 1.00 0.00 H new ATOM 176 N PHE A 11 1.420 1.359 -16.599 1.00 0.00 N ATOM 177 CA PHE A 11 0.682 1.607 -17.832 1.00 0.00 C ATOM 178 C PHE A 11 -0.359 2.704 -17.632 1.00 0.00 C ATOM 179 O PHE A 11 -0.779 3.359 -18.586 1.00 0.00 O ATOM 180 CB PHE A 11 0.001 0.323 -18.311 1.00 0.00 C ATOM 181 CG PHE A 11 0.928 -0.856 -18.382 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.272 -0.681 -18.669 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.455 -2.140 -18.162 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.127 -1.765 -18.736 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.306 -3.228 -18.227 1.00 0.00 C ATOM 186 CZ PHE A 11 2.644 -3.040 -18.513 1.00 0.00 C ATOM 0 H PHE A 11 1.158 0.500 -16.116 1.00 0.00 H new ATOM 0 HA PHE A 11 1.392 1.938 -18.590 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.824 0.086 -17.639 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.430 0.496 -19.297 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.656 0.313 -18.842 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.590 -2.293 -17.937 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.172 -1.615 -18.963 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.925 -4.224 -18.054 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.311 -3.888 -18.562 1.00 0.00 H new ATOM 196 N ASP A 12 -0.772 2.899 -16.384 1.00 0.00 N ATOM 197 CA ASP A 12 -1.764 3.916 -16.057 1.00 0.00 C ATOM 198 C ASP A 12 -1.116 5.293 -15.953 1.00 0.00 C ATOM 199 O ASP A 12 -1.090 5.901 -14.882 1.00 0.00 O ATOM 200 CB ASP A 12 -2.467 3.570 -14.744 1.00 0.00 C ATOM 201 CG ASP A 12 -3.868 4.143 -14.668 1.00 0.00 C ATOM 202 OD1 ASP A 12 -3.998 5.376 -14.516 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.836 3.360 -14.763 1.00 0.00 O ATOM 0 H ASP A 12 -0.435 2.366 -15.582 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.501 3.940 -16.859 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.515 2.486 -14.636 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.877 3.948 -13.909 1.00 0.00 H new ATOM 208 N THR A 13 -0.591 5.781 -17.073 1.00 0.00 N ATOM 209 CA THR A 13 0.059 7.085 -17.107 1.00 0.00 C ATOM 210 C THR A 13 -0.904 8.167 -17.581 1.00 0.00 C ATOM 211 O THR A 13 -0.499 9.299 -17.844 1.00 0.00 O ATOM 212 CB THR A 13 1.294 7.073 -18.029 1.00 0.00 C ATOM 213 OG1 THR A 13 1.965 5.812 -17.932 1.00 0.00 O ATOM 214 CG2 THR A 13 2.254 8.194 -17.663 1.00 0.00 C ATOM 0 H THR A 13 -0.603 5.292 -17.968 1.00 0.00 H new ATOM 0 HA THR A 13 0.377 7.306 -16.088 1.00 0.00 H new ATOM 0 HB THR A 13 0.956 7.226 -19.054 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.748 5.812 -18.522 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.118 8.165 -18.327 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.749 9.154 -17.767 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.585 8.068 -16.632 1.00 0.00 H new ATOM 222 N ASN A 14 -2.180 7.812 -17.687 1.00 0.00 N ATOM 223 CA ASN A 14 -3.202 8.754 -18.129 1.00 0.00 C ATOM 224 C ASN A 14 -4.161 9.091 -16.992 1.00 0.00 C ATOM 225 O ASN A 14 -5.191 9.730 -17.202 1.00 0.00 O ATOM 226 CB ASN A 14 -3.979 8.177 -19.314 1.00 0.00 C ATOM 227 CG ASN A 14 -3.910 6.663 -19.368 1.00 0.00 C ATOM 228 OD1 ASN A 14 -4.361 6.011 -18.302 1.00 0.00 O flip ATOM 229 ND2 ASN A 14 -3.455 6.086 -20.356 1.00 0.00 N flip ATOM 0 H ASN A 14 -2.531 6.879 -17.473 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.703 9.671 -18.442 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.021 8.488 -19.248 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.581 8.590 -20.241 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.120 6.627 -21.153 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.414 5.067 -20.377 1.00 0.00 H new ATOM 236 N GLY A 15 -3.814 8.656 -15.784 1.00 0.00 N ATOM 237 CA GLY A 15 -4.654 8.920 -14.631 1.00 0.00 C ATOM 238 C GLY A 15 -6.026 8.288 -14.755 1.00 0.00 C ATOM 239 O GLY A 15 -7.017 8.841 -14.278 1.00 0.00 O ATOM 0 H GLY A 15 -2.966 8.126 -15.584 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.163 8.542 -13.734 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.764 9.997 -14.505 1.00 0.00 H new ATOM 243 N ASP A 16 -6.085 7.128 -15.400 1.00 0.00 N ATOM 244 CA ASP A 16 -7.346 6.420 -15.587 1.00 0.00 C ATOM 245 C ASP A 16 -7.524 5.337 -14.528 1.00 0.00 C ATOM 246 O ASP A 16 -6.594 5.021 -13.787 1.00 0.00 O ATOM 247 CB ASP A 16 -7.405 5.799 -16.984 1.00 0.00 C ATOM 248 CG ASP A 16 -7.727 6.820 -18.058 1.00 0.00 C ATOM 249 OD1 ASP A 16 -7.649 8.031 -17.767 1.00 0.00 O ATOM 250 OD2 ASP A 16 -8.058 6.406 -19.189 1.00 0.00 O ATOM 0 H ASP A 16 -5.274 6.658 -15.802 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.157 7.141 -15.484 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.448 5.328 -17.210 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.159 5.012 -16.997 1.00 0.00 H new ATOM 255 N GLY A 17 -8.726 4.774 -14.461 1.00 0.00 N ATOM 256 CA GLY A 17 -9.004 3.733 -13.488 1.00 0.00 C ATOM 257 C GLY A 17 -8.719 2.345 -14.026 1.00 0.00 C ATOM 258 O GLY A 17 -8.982 1.346 -13.357 1.00 0.00 O ATOM 0 H GLY A 17 -9.512 5.020 -15.063 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.402 3.904 -12.596 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.049 3.794 -13.184 1.00 0.00 H new ATOM 262 N LYS A 18 -8.182 2.282 -15.239 1.00 0.00 N ATOM 263 CA LYS A 18 -7.861 1.006 -15.868 1.00 0.00 C ATOM 264 C LYS A 18 -6.631 1.134 -16.762 1.00 0.00 C ATOM 265 O LYS A 18 -6.171 2.240 -17.045 1.00 0.00 O ATOM 266 CB LYS A 18 -9.051 0.505 -16.690 1.00 0.00 C ATOM 267 CG LYS A 18 -10.364 0.514 -15.926 1.00 0.00 C ATOM 268 CD LYS A 18 -11.528 0.101 -16.812 1.00 0.00 C ATOM 269 CE LYS A 18 -12.795 0.865 -16.460 1.00 0.00 C ATOM 270 NZ LYS A 18 -14.017 0.045 -16.686 1.00 0.00 N ATOM 0 H LYS A 18 -7.960 3.100 -15.807 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.643 0.286 -15.079 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.154 1.125 -17.580 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.845 -0.510 -17.031 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.295 -0.163 -15.075 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.546 1.511 -15.526 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.273 0.279 -17.857 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.706 -0.969 -16.706 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.754 1.175 -15.416 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.850 1.773 -17.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.859 0.601 -16.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.070 -0.230 -17.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.976 -0.809 -16.094 1.00 0.00 H new ATOM 284 N ILE A 19 -6.106 -0.003 -17.203 1.00 0.00 N ATOM 285 CA ILE A 19 -4.931 -0.017 -18.067 1.00 0.00 C ATOM 286 C ILE A 19 -5.133 -0.952 -19.255 1.00 0.00 C ATOM 287 O ILE A 19 -5.639 -2.064 -19.104 1.00 0.00 O ATOM 288 CB ILE A 19 -3.671 -0.450 -17.295 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.886 -1.822 -16.652 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.313 0.586 -16.240 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.668 -2.346 -15.924 1.00 0.00 C ATOM 0 H ILE A 19 -6.475 -0.927 -16.977 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.793 1.002 -18.430 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.841 -0.525 -17.997 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.719 -1.759 -15.952 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.172 -2.535 -17.425 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.420 0.265 -15.703 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.122 1.545 -16.722 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.140 0.691 -15.538 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.893 -3.322 -15.494 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.838 -2.441 -16.625 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.393 -1.653 -15.129 1.00 0.00 H new ATOM 303 N SER A 20 -4.732 -0.493 -20.436 1.00 0.00 N ATOM 304 CA SER A 20 -4.870 -1.288 -21.651 1.00 0.00 C ATOM 305 C SER A 20 -4.135 -2.618 -21.517 1.00 0.00 C ATOM 306 O SER A 20 -2.935 -2.653 -21.242 1.00 0.00 O ATOM 307 CB SER A 20 -4.331 -0.513 -22.856 1.00 0.00 C ATOM 308 OG SER A 20 -5.036 -0.853 -24.037 1.00 0.00 O ATOM 0 H SER A 20 -4.309 0.424 -20.578 1.00 0.00 H new ATOM 0 HA SER A 20 -5.930 -1.493 -21.804 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.418 0.558 -22.672 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.271 -0.729 -22.987 1.00 0.00 H new ATOM 0 HG SER A 20 -5.997 -0.879 -23.848 1.00 0.00 H new ATOM 314 N LEU A 21 -4.863 -3.711 -21.714 1.00 0.00 N ATOM 315 CA LEU A 21 -4.282 -5.046 -21.616 1.00 0.00 C ATOM 316 C LEU A 21 -3.667 -5.471 -22.945 1.00 0.00 C ATOM 317 O LEU A 21 -2.870 -6.408 -23.000 1.00 0.00 O ATOM 318 CB LEU A 21 -5.347 -6.057 -21.187 1.00 0.00 C ATOM 319 CG LEU A 21 -6.745 -5.846 -21.770 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.699 -5.867 -23.290 1.00 0.00 C ATOM 321 CD2 LEU A 21 -7.705 -6.907 -21.250 1.00 0.00 C ATOM 0 H LEU A 21 -5.857 -3.700 -21.943 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.493 -5.018 -20.864 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.006 -7.054 -21.465 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.422 -6.037 -20.100 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.106 -4.868 -21.451 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.703 -5.715 -23.687 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.044 -5.071 -23.645 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.317 -6.830 -23.629 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.695 -6.742 -21.675 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.347 -7.895 -21.539 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.762 -6.845 -20.163 1.00 0.00 H new ATOM 333 N SER A 22 -4.040 -4.774 -24.014 1.00 0.00 N ATOM 334 CA SER A 22 -3.525 -5.080 -25.344 1.00 0.00 C ATOM 335 C SER A 22 -2.106 -4.548 -25.513 1.00 0.00 C ATOM 336 O SER A 22 -1.228 -5.242 -26.025 1.00 0.00 O ATOM 337 CB SER A 22 -4.438 -4.482 -26.416 1.00 0.00 C ATOM 338 OG SER A 22 -5.465 -5.390 -26.776 1.00 0.00 O ATOM 0 H SER A 22 -4.697 -3.994 -23.985 1.00 0.00 H new ATOM 0 HA SER A 22 -3.503 -6.164 -25.458 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.880 -3.556 -26.047 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.850 -4.225 -27.297 1.00 0.00 H new ATOM 0 HG SER A 22 -6.036 -4.983 -27.461 1.00 0.00 H new ATOM 344 N GLU A 23 -1.889 -3.310 -25.079 1.00 0.00 N ATOM 345 CA GLU A 23 -0.576 -2.684 -25.183 1.00 0.00 C ATOM 346 C GLU A 23 0.427 -3.365 -24.257 1.00 0.00 C ATOM 347 O GLU A 23 1.633 -3.340 -24.503 1.00 0.00 O ATOM 348 CB GLU A 23 -0.669 -1.194 -24.845 1.00 0.00 C ATOM 349 CG GLU A 23 -1.639 -0.429 -25.729 1.00 0.00 C ATOM 350 CD GLU A 23 -0.972 0.156 -26.958 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.570 -0.626 -27.845 1.00 0.00 O ATOM 352 OE2 GLU A 23 -0.852 1.397 -27.034 1.00 0.00 O ATOM 0 H GLU A 23 -2.605 -2.722 -24.653 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.229 -2.796 -26.210 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.975 -1.084 -23.805 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.321 -0.747 -24.935 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.444 -1.095 -26.040 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.095 0.375 -25.151 1.00 0.00 H new ATOM 359 N LEU A 24 -0.080 -3.972 -23.189 1.00 0.00 N ATOM 360 CA LEU A 24 0.770 -4.660 -22.224 1.00 0.00 C ATOM 361 C LEU A 24 1.492 -5.836 -22.875 1.00 0.00 C ATOM 362 O LEU A 24 2.721 -5.871 -22.929 1.00 0.00 O ATOM 363 CB LEU A 24 -0.063 -5.151 -21.039 1.00 0.00 C ATOM 364 CG LEU A 24 0.575 -6.238 -20.174 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.268 -7.617 -20.736 1.00 0.00 C ATOM 366 CD2 LEU A 24 2.079 -6.025 -20.073 1.00 0.00 C ATOM 0 H LEU A 24 -1.076 -4.001 -22.970 1.00 0.00 H new ATOM 0 HA LEU A 24 1.517 -3.952 -21.866 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.292 -4.296 -20.403 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.012 -5.528 -21.420 1.00 0.00 H new ATOM 0 HG LEU A 24 0.150 -6.173 -19.172 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.731 -8.378 -20.107 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.811 -7.770 -20.756 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.664 -7.694 -21.749 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.517 -6.808 -19.454 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.519 -6.062 -21.069 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.279 -5.052 -19.624 1.00 0.00 H new ATOM 378 N THR A 25 0.718 -6.797 -23.371 1.00 0.00 N ATOM 379 CA THR A 25 1.283 -7.973 -24.020 1.00 0.00 C ATOM 380 C THR A 25 2.239 -7.579 -25.140 1.00 0.00 C ATOM 381 O THR A 25 3.233 -8.260 -25.390 1.00 0.00 O ATOM 382 CB THR A 25 0.180 -8.880 -24.598 1.00 0.00 C ATOM 383 OG1 THR A 25 0.759 -9.875 -25.449 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.836 -8.063 -25.383 1.00 0.00 C ATOM 0 H THR A 25 -0.301 -6.783 -23.335 1.00 0.00 H new ATOM 0 HA THR A 25 1.832 -8.522 -23.255 1.00 0.00 H new ATOM 0 HB THR A 25 -0.332 -9.366 -23.767 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.488 -10.327 -24.975 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.605 -8.725 -25.782 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.297 -7.326 -24.725 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.335 -7.552 -26.205 1.00 0.00 H new ATOM 392 N ASP A 26 1.932 -6.474 -25.811 1.00 0.00 N ATOM 393 CA ASP A 26 2.766 -5.987 -26.904 1.00 0.00 C ATOM 394 C ASP A 26 3.955 -5.195 -26.369 1.00 0.00 C ATOM 395 O ASP A 26 4.952 -5.008 -27.066 1.00 0.00 O ATOM 396 CB ASP A 26 1.942 -5.114 -27.852 1.00 0.00 C ATOM 397 CG ASP A 26 2.516 -5.082 -29.255 1.00 0.00 C ATOM 398 OD1 ASP A 26 3.739 -4.866 -29.390 1.00 0.00 O ATOM 399 OD2 ASP A 26 1.743 -5.271 -30.218 1.00 0.00 O ATOM 0 H ASP A 26 1.112 -5.899 -25.617 1.00 0.00 H new ATOM 0 HA ASP A 26 3.144 -6.850 -27.452 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.919 -5.489 -27.889 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.895 -4.099 -27.458 1.00 0.00 H new ATOM 404 N ALA A 27 3.842 -4.733 -25.128 1.00 0.00 N ATOM 405 CA ALA A 27 4.908 -3.963 -24.500 1.00 0.00 C ATOM 406 C ALA A 27 5.917 -4.879 -23.815 1.00 0.00 C ATOM 407 O ALA A 27 7.117 -4.601 -23.805 1.00 0.00 O ATOM 408 CB ALA A 27 4.327 -2.974 -23.501 1.00 0.00 C ATOM 0 H ALA A 27 3.023 -4.879 -24.538 1.00 0.00 H new ATOM 0 HA ALA A 27 5.430 -3.410 -25.280 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.135 -2.406 -23.040 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.651 -2.291 -24.016 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.778 -3.515 -22.730 1.00 0.00 H new ATOM 414 N LEU A 28 5.423 -5.971 -23.242 1.00 0.00 N ATOM 415 CA LEU A 28 6.281 -6.928 -22.553 1.00 0.00 C ATOM 416 C LEU A 28 7.424 -7.382 -23.454 1.00 0.00 C ATOM 417 O LEU A 28 8.593 -7.312 -23.074 1.00 0.00 O ATOM 418 CB LEU A 28 5.464 -8.139 -22.097 1.00 0.00 C ATOM 419 CG LEU A 28 4.912 -8.078 -20.672 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.969 -9.243 -20.415 1.00 0.00 C ATOM 421 CD2 LEU A 28 6.048 -8.076 -19.660 1.00 0.00 C ATOM 0 H LEU A 28 4.433 -6.216 -23.241 1.00 0.00 H new ATOM 0 HA LEU A 28 6.706 -6.434 -21.679 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.628 -8.267 -22.784 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.089 -9.028 -22.186 1.00 0.00 H new ATOM 0 HG LEU A 28 4.350 -7.151 -20.560 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.586 -9.183 -19.396 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.137 -9.200 -21.118 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.507 -10.182 -20.546 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.637 -8.032 -18.651 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.637 -8.986 -19.773 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.685 -7.208 -19.830 1.00 0.00 H new ATOM 433 N ARG A 29 7.079 -7.846 -24.651 1.00 0.00 N ATOM 434 CA ARG A 29 8.076 -8.310 -25.608 1.00 0.00 C ATOM 435 C ARG A 29 9.227 -7.313 -25.720 1.00 0.00 C ATOM 436 O ARG A 29 10.398 -7.692 -25.675 1.00 0.00 O ATOM 437 CB ARG A 29 7.437 -8.523 -26.981 1.00 0.00 C ATOM 438 CG ARG A 29 6.626 -7.333 -27.467 1.00 0.00 C ATOM 439 CD ARG A 29 5.740 -7.706 -28.645 1.00 0.00 C ATOM 440 NE ARG A 29 6.443 -7.583 -29.919 1.00 0.00 N ATOM 441 CZ ARG A 29 5.962 -8.039 -31.071 1.00 0.00 C ATOM 442 NH1 ARG A 29 4.783 -8.644 -31.108 1.00 0.00 N ATOM 443 NH2 ARG A 29 6.662 -7.889 -32.189 1.00 0.00 N ATOM 0 H ARG A 29 6.116 -7.910 -24.981 1.00 0.00 H new ATOM 0 HA ARG A 29 8.473 -9.259 -25.249 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.221 -8.739 -27.707 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.791 -9.400 -26.939 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.009 -6.955 -26.652 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.299 -6.527 -27.758 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.387 -8.730 -28.523 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.859 -7.064 -28.654 1.00 0.00 H new ATOM 0 HE ARG A 29 7.353 -7.122 -29.925 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.242 -8.761 -30.251 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.416 -8.993 -31.994 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.569 -7.424 -32.164 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.293 -8.239 -33.073 1.00 0.00 H new ATOM 457 N THR A 30 8.885 -6.037 -25.867 1.00 0.00 N ATOM 458 CA THR A 30 9.888 -4.987 -25.988 1.00 0.00 C ATOM 459 C THR A 30 10.859 -5.015 -24.812 1.00 0.00 C ATOM 460 O THR A 30 12.075 -4.957 -24.996 1.00 0.00 O ATOM 461 CB THR A 30 9.236 -3.593 -26.067 1.00 0.00 C ATOM 462 OG1 THR A 30 8.696 -3.379 -27.375 1.00 0.00 O ATOM 463 CG2 THR A 30 10.247 -2.503 -25.744 1.00 0.00 C ATOM 0 H THR A 30 7.921 -5.706 -25.905 1.00 0.00 H new ATOM 0 HA THR A 30 10.434 -5.178 -26.912 1.00 0.00 H new ATOM 0 HB THR A 30 8.433 -3.549 -25.332 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.282 -2.492 -27.417 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.763 -1.528 -25.806 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.634 -2.653 -24.736 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.069 -2.546 -26.458 1.00 0.00 H new ATOM 471 N LEU A 31 10.314 -5.106 -23.604 1.00 0.00 N ATOM 472 CA LEU A 31 11.132 -5.144 -22.397 1.00 0.00 C ATOM 473 C LEU A 31 12.063 -6.352 -22.407 1.00 0.00 C ATOM 474 O LEU A 31 12.978 -6.450 -21.591 1.00 0.00 O ATOM 475 CB LEU A 31 10.241 -5.182 -21.154 1.00 0.00 C ATOM 476 CG LEU A 31 9.960 -3.835 -20.488 1.00 0.00 C ATOM 477 CD1 LEU A 31 11.251 -3.212 -19.979 1.00 0.00 C ATOM 478 CD2 LEU A 31 9.258 -2.896 -21.458 1.00 0.00 C ATOM 0 H LEU A 31 9.309 -5.155 -23.434 1.00 0.00 H new ATOM 0 HA LEU A 31 11.741 -4.240 -22.372 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.288 -5.635 -21.428 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.706 -5.838 -20.418 1.00 0.00 H new ATOM 0 HG LEU A 31 9.301 -4.003 -19.636 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.032 -2.254 -19.508 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.713 -3.877 -19.250 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.934 -3.058 -20.814 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.066 -1.942 -20.967 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.891 -2.734 -22.330 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.313 -3.338 -21.773 1.00 0.00 H new ATOM 490 N GLY A 32 11.823 -7.270 -23.339 1.00 0.00 N ATOM 491 CA GLY A 32 12.649 -8.459 -23.440 1.00 0.00 C ATOM 492 C GLY A 32 11.896 -9.721 -23.072 1.00 0.00 C ATOM 493 O GLY A 32 12.407 -10.829 -23.239 1.00 0.00 O ATOM 0 H GLY A 32 11.071 -7.211 -24.026 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.027 -8.549 -24.458 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.515 -8.353 -22.786 1.00 0.00 H new ATOM 497 N SER A 33 10.677 -9.556 -22.569 1.00 0.00 N ATOM 498 CA SER A 33 9.853 -10.692 -22.172 1.00 0.00 C ATOM 499 C SER A 33 9.761 -11.717 -23.298 1.00 0.00 C ATOM 500 O SER A 33 9.638 -11.360 -24.471 1.00 0.00 O ATOM 501 CB SER A 33 8.451 -10.220 -21.781 1.00 0.00 C ATOM 502 OG SER A 33 8.065 -10.754 -20.526 1.00 0.00 O ATOM 0 H SER A 33 10.238 -8.646 -22.427 1.00 0.00 H new ATOM 0 HA SER A 33 10.323 -11.166 -21.310 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.429 -9.131 -21.739 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.735 -10.524 -22.545 1.00 0.00 H new ATOM 0 HG SER A 33 7.120 -11.011 -20.557 1.00 0.00 H new ATOM 508 N THR A 34 9.822 -12.994 -22.934 1.00 0.00 N ATOM 509 CA THR A 34 9.748 -14.072 -23.912 1.00 0.00 C ATOM 510 C THR A 34 8.438 -14.841 -23.783 1.00 0.00 C ATOM 511 O THR A 34 8.357 -16.013 -24.152 1.00 0.00 O ATOM 512 CB THR A 34 10.924 -15.054 -23.757 1.00 0.00 C ATOM 513 OG1 THR A 34 10.889 -16.030 -24.804 1.00 0.00 O ATOM 514 CG2 THR A 34 10.873 -15.750 -22.405 1.00 0.00 C ATOM 0 H THR A 34 9.923 -13.307 -21.968 1.00 0.00 H new ATOM 0 HA THR A 34 9.800 -13.609 -24.897 1.00 0.00 H new ATOM 0 HB THR A 34 11.853 -14.487 -23.821 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.968 -16.340 -24.931 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.713 -16.439 -22.318 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.930 -15.006 -21.610 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.939 -16.305 -22.316 1.00 0.00 H new ATOM 522 N SER A 35 7.415 -14.175 -23.259 1.00 0.00 N ATOM 523 CA SER A 35 6.109 -14.798 -23.079 1.00 0.00 C ATOM 524 C SER A 35 4.992 -13.856 -23.519 1.00 0.00 C ATOM 525 O SER A 35 3.830 -14.041 -23.158 1.00 0.00 O ATOM 526 CB SER A 35 5.908 -15.197 -21.615 1.00 0.00 C ATOM 527 OG SER A 35 6.770 -16.262 -21.254 1.00 0.00 O ATOM 0 H SER A 35 7.465 -13.204 -22.951 1.00 0.00 H new ATOM 0 HA SER A 35 6.072 -15.693 -23.701 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.097 -14.338 -20.971 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.871 -15.494 -21.455 1.00 0.00 H new ATOM 0 HG SER A 35 6.623 -16.497 -20.314 1.00 0.00 H new ATOM 533 N ALA A 36 5.354 -12.845 -24.301 1.00 0.00 N ATOM 534 CA ALA A 36 4.384 -11.874 -24.793 1.00 0.00 C ATOM 535 C ALA A 36 3.219 -12.568 -25.492 1.00 0.00 C ATOM 536 O ALA A 36 2.104 -12.048 -25.523 1.00 0.00 O ATOM 537 CB ALA A 36 5.056 -10.887 -25.736 1.00 0.00 C ATOM 0 H ALA A 36 6.312 -12.677 -24.608 1.00 0.00 H new ATOM 0 HA ALA A 36 3.987 -11.328 -23.937 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.320 -10.168 -26.095 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.849 -10.360 -25.206 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.481 -11.425 -26.583 1.00 0.00 H new ATOM 543 N ASP A 37 3.486 -13.743 -26.051 1.00 0.00 N ATOM 544 CA ASP A 37 2.460 -14.508 -26.749 1.00 0.00 C ATOM 545 C ASP A 37 1.573 -15.257 -25.760 1.00 0.00 C ATOM 546 O ASP A 37 0.386 -15.464 -26.010 1.00 0.00 O ATOM 547 CB ASP A 37 3.104 -15.495 -27.724 1.00 0.00 C ATOM 548 CG ASP A 37 4.340 -14.925 -28.392 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.235 -13.848 -29.014 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.412 -15.557 -28.292 1.00 0.00 O ATOM 0 H ASP A 37 4.404 -14.186 -26.034 1.00 0.00 H new ATOM 0 HA ASP A 37 1.839 -13.809 -27.309 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.371 -16.407 -27.190 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.378 -15.774 -28.487 1.00 0.00 H new ATOM 555 N GLU A 38 2.157 -15.660 -24.636 1.00 0.00 N ATOM 556 CA GLU A 38 1.420 -16.388 -23.610 1.00 0.00 C ATOM 557 C GLU A 38 0.595 -15.432 -22.752 1.00 0.00 C ATOM 558 O GLU A 38 -0.518 -15.756 -22.337 1.00 0.00 O ATOM 559 CB GLU A 38 2.382 -17.184 -22.726 1.00 0.00 C ATOM 560 CG GLU A 38 1.685 -18.010 -21.658 1.00 0.00 C ATOM 561 CD GLU A 38 1.001 -19.239 -22.224 1.00 0.00 C ATOM 562 OE1 GLU A 38 1.672 -20.015 -22.937 1.00 0.00 O ATOM 563 OE2 GLU A 38 -0.204 -19.424 -21.956 1.00 0.00 O ATOM 0 H GLU A 38 3.138 -15.495 -24.413 1.00 0.00 H new ATOM 0 HA GLU A 38 0.741 -17.080 -24.109 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.977 -17.846 -23.355 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.075 -16.494 -22.245 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.414 -18.318 -20.909 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.947 -17.390 -21.149 1.00 0.00 H new ATOM 570 N VAL A 39 1.150 -14.254 -22.489 1.00 0.00 N ATOM 571 CA VAL A 39 0.467 -13.250 -21.682 1.00 0.00 C ATOM 572 C VAL A 39 -0.783 -12.735 -22.386 1.00 0.00 C ATOM 573 O VAL A 39 -1.765 -12.370 -21.740 1.00 0.00 O ATOM 574 CB VAL A 39 1.392 -12.060 -21.365 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.736 -11.298 -22.636 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.745 -11.140 -20.341 1.00 0.00 C ATOM 0 H VAL A 39 2.071 -13.971 -22.823 1.00 0.00 H new ATOM 0 HA VAL A 39 0.180 -13.736 -20.749 1.00 0.00 H new ATOM 0 HB VAL A 39 2.318 -12.446 -20.939 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.390 -10.461 -22.393 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.244 -11.964 -23.334 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.821 -10.922 -23.094 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.413 -10.305 -20.129 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.197 -10.760 -20.737 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.555 -11.695 -19.422 1.00 0.00 H new ATOM 586 N GLN A 40 -0.739 -12.709 -23.714 1.00 0.00 N ATOM 587 CA GLN A 40 -1.868 -12.238 -24.507 1.00 0.00 C ATOM 588 C GLN A 40 -3.080 -13.146 -24.321 1.00 0.00 C ATOM 589 O GLN A 40 -4.210 -12.673 -24.200 1.00 0.00 O ATOM 590 CB GLN A 40 -1.488 -12.172 -25.987 1.00 0.00 C ATOM 591 CG GLN A 40 -2.680 -12.264 -26.926 1.00 0.00 C ATOM 592 CD GLN A 40 -2.279 -12.197 -28.386 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.213 -12.906 -28.741 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.919 -11.515 -29.187 1.00 0.00 N flip ATOM 0 H GLN A 40 0.066 -13.009 -24.263 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.129 -11.238 -24.162 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.958 -11.238 -26.176 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.795 -12.983 -26.212 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.212 -13.198 -26.742 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.374 -11.453 -26.706 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.732 -10.986 -28.871 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.636 -11.479 -30.166 1.00 0.00 H new ATOM 603 N ARG A 41 -2.836 -14.453 -24.299 1.00 0.00 N ATOM 604 CA ARG A 41 -3.907 -15.427 -24.130 1.00 0.00 C ATOM 605 C ARG A 41 -4.293 -15.561 -22.660 1.00 0.00 C ATOM 606 O ARG A 41 -5.391 -16.011 -22.334 1.00 0.00 O ATOM 607 CB ARG A 41 -3.479 -16.788 -24.682 1.00 0.00 C ATOM 608 CG ARG A 41 -2.181 -17.306 -24.085 1.00 0.00 C ATOM 609 CD ARG A 41 -1.781 -18.641 -24.695 1.00 0.00 C ATOM 610 NE ARG A 41 -2.550 -19.750 -24.136 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.264 -21.028 -24.358 1.00 0.00 C ATOM 612 NH1 ARG A 41 -1.233 -21.356 -25.124 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.010 -21.981 -23.814 1.00 0.00 N ATOM 0 H ARG A 41 -1.906 -14.861 -24.396 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.776 -15.074 -24.685 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.271 -17.513 -24.493 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.367 -16.713 -25.764 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.387 -16.577 -24.249 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.294 -17.417 -23.007 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.929 -18.605 -25.774 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.718 -18.814 -24.524 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.350 -19.531 -23.543 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.657 -20.626 -25.544 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.015 -22.338 -25.293 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.804 -21.733 -23.224 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.789 -22.962 -23.985 1.00 0.00 H new ATOM 627 N MET A 42 -3.382 -15.167 -21.776 1.00 0.00 N ATOM 628 CA MET A 42 -3.627 -15.242 -20.340 1.00 0.00 C ATOM 629 C MET A 42 -4.499 -14.080 -19.876 1.00 0.00 C ATOM 630 O MET A 42 -5.496 -14.279 -19.183 1.00 0.00 O ATOM 631 CB MET A 42 -2.303 -15.240 -19.574 1.00 0.00 C ATOM 632 CG MET A 42 -1.490 -16.510 -19.761 1.00 0.00 C ATOM 633 SD MET A 42 -1.925 -17.795 -18.574 1.00 0.00 S ATOM 634 CE MET A 42 -2.878 -18.904 -19.608 1.00 0.00 C ATOM 0 H MET A 42 -2.467 -14.793 -22.029 1.00 0.00 H new ATOM 0 HA MET A 42 -4.155 -16.173 -20.135 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.707 -14.386 -19.897 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.507 -15.102 -18.512 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.642 -16.888 -20.772 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.430 -16.276 -19.664 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.628 -19.413 -19.002 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.373 -18.333 -20.394 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.214 -19.642 -20.059 1.00 0.00 H new ATOM 644 N MET A 43 -4.116 -12.867 -20.263 1.00 0.00 N ATOM 645 CA MET A 43 -4.864 -11.674 -19.886 1.00 0.00 C ATOM 646 C MET A 43 -6.333 -11.808 -20.275 1.00 0.00 C ATOM 647 O MET A 43 -7.200 -11.154 -19.697 1.00 0.00 O ATOM 648 CB MET A 43 -4.259 -10.436 -20.550 1.00 0.00 C ATOM 649 CG MET A 43 -4.047 -10.592 -22.047 1.00 0.00 C ATOM 650 SD MET A 43 -5.460 -10.023 -23.012 1.00 0.00 S ATOM 651 CE MET A 43 -4.634 -9.274 -24.414 1.00 0.00 C ATOM 0 H MET A 43 -3.293 -12.685 -20.837 1.00 0.00 H new ATOM 0 HA MET A 43 -4.802 -11.563 -18.803 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.912 -9.582 -20.371 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.303 -10.211 -20.077 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.160 -10.033 -22.345 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.854 -11.640 -22.275 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.378 -8.875 -25.104 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.989 -8.466 -24.068 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.032 -10.025 -24.925 1.00 0.00 H new ATOM 661 N ALA A 44 -6.605 -12.659 -21.259 1.00 0.00 N ATOM 662 CA ALA A 44 -7.969 -12.879 -21.724 1.00 0.00 C ATOM 663 C ALA A 44 -8.848 -13.428 -20.606 1.00 0.00 C ATOM 664 O ALA A 44 -10.072 -13.312 -20.653 1.00 0.00 O ATOM 665 CB ALA A 44 -7.974 -13.826 -22.915 1.00 0.00 C ATOM 0 H ALA A 44 -5.899 -13.207 -21.750 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.380 -11.919 -22.035 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.999 -13.981 -23.252 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.387 -13.394 -23.726 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.540 -14.782 -22.622 1.00 0.00 H new ATOM 671 N GLU A 45 -8.215 -14.026 -19.601 1.00 0.00 N ATOM 672 CA GLU A 45 -8.942 -14.595 -18.472 1.00 0.00 C ATOM 673 C GLU A 45 -9.456 -13.495 -17.548 1.00 0.00 C ATOM 674 O GLU A 45 -10.626 -13.490 -17.163 1.00 0.00 O ATOM 675 CB GLU A 45 -8.043 -15.555 -17.690 1.00 0.00 C ATOM 676 CG GLU A 45 -7.516 -16.710 -18.523 1.00 0.00 C ATOM 677 CD GLU A 45 -6.823 -17.766 -17.684 1.00 0.00 C ATOM 678 OE1 GLU A 45 -5.606 -17.624 -17.440 1.00 0.00 O ATOM 679 OE2 GLU A 45 -7.495 -18.734 -17.272 1.00 0.00 O ATOM 0 H GLU A 45 -7.202 -14.129 -19.546 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.797 -15.147 -18.863 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.200 -14.998 -17.282 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.602 -15.954 -16.843 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.343 -17.168 -19.066 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.818 -16.327 -19.268 1.00 0.00 H new ATOM 686 N ILE A 46 -8.574 -12.566 -17.194 1.00 0.00 N ATOM 687 CA ILE A 46 -8.939 -11.462 -16.316 1.00 0.00 C ATOM 688 C ILE A 46 -9.889 -10.495 -17.014 1.00 0.00 C ATOM 689 O ILE A 46 -10.693 -9.824 -16.368 1.00 0.00 O ATOM 690 CB ILE A 46 -7.696 -10.688 -15.839 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.930 -10.122 -17.036 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.797 -11.590 -15.006 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.831 -9.157 -16.649 1.00 0.00 C ATOM 0 H ILE A 46 -7.602 -12.556 -17.502 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.439 -11.899 -15.452 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.022 -9.856 -15.214 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.496 -10.946 -17.602 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.631 -9.615 -17.699 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.923 -11.028 -14.676 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.347 -11.949 -14.136 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.476 -12.440 -15.608 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.331 -8.796 -17.548 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.261 -8.313 -16.109 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.108 -9.666 -16.011 1.00 0.00 H new ATOM 705 N ASP A 47 -9.791 -10.430 -18.338 1.00 0.00 N ATOM 706 CA ASP A 47 -10.643 -9.545 -19.125 1.00 0.00 C ATOM 707 C ASP A 47 -11.886 -10.282 -19.614 1.00 0.00 C ATOM 708 O ASP A 47 -11.812 -11.121 -20.512 1.00 0.00 O ATOM 709 CB ASP A 47 -9.867 -8.984 -20.318 1.00 0.00 C ATOM 710 CG ASP A 47 -10.528 -7.756 -20.910 1.00 0.00 C ATOM 711 OD1 ASP A 47 -10.399 -6.625 -20.227 1.00 0.00 O ATOM 712 OD2 ASP A 47 -11.149 -7.824 -21.972 1.00 0.00 O ATOM 0 H ASP A 47 -9.131 -10.979 -18.888 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.958 -8.721 -18.485 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.854 -8.732 -20.003 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.781 -9.753 -21.086 1.00 0.00 H new ATOM 717 N THR A 48 -13.030 -9.961 -19.017 1.00 0.00 N ATOM 718 CA THR A 48 -14.290 -10.591 -19.391 1.00 0.00 C ATOM 719 C THR A 48 -15.113 -9.681 -20.295 1.00 0.00 C ATOM 720 O THR A 48 -16.061 -10.126 -20.943 1.00 0.00 O ATOM 721 CB THR A 48 -15.127 -10.954 -18.149 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.198 -11.829 -18.519 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.690 -9.704 -17.491 1.00 0.00 C ATOM 0 H THR A 48 -13.109 -9.268 -18.272 1.00 0.00 H new ATOM 0 HA THR A 48 -14.039 -11.504 -19.931 1.00 0.00 H new ATOM 0 HB THR A 48 -14.477 -11.459 -17.435 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.427 -11.686 -19.461 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.277 -9.986 -16.617 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.871 -9.054 -17.184 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.327 -9.175 -18.200 1.00 0.00 H new ATOM 731 N ASP A 49 -14.745 -8.405 -20.336 1.00 0.00 N ATOM 732 CA ASP A 49 -15.449 -7.432 -21.163 1.00 0.00 C ATOM 733 C ASP A 49 -14.792 -7.309 -22.535 1.00 0.00 C ATOM 734 O ASP A 49 -15.216 -6.508 -23.367 1.00 0.00 O ATOM 735 CB ASP A 49 -15.476 -6.068 -20.472 1.00 0.00 C ATOM 736 CG ASP A 49 -14.824 -6.099 -19.104 1.00 0.00 C ATOM 737 OD1 ASP A 49 -13.598 -5.873 -19.026 1.00 0.00 O ATOM 738 OD2 ASP A 49 -15.539 -6.348 -18.112 1.00 0.00 O ATOM 0 H ASP A 49 -13.963 -8.020 -19.806 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.473 -7.781 -21.300 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.965 -5.337 -21.098 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.509 -5.735 -20.371 1.00 0.00 H new ATOM 743 N GLY A 50 -13.754 -8.108 -22.762 1.00 0.00 N ATOM 744 CA GLY A 50 -13.055 -8.072 -24.033 1.00 0.00 C ATOM 745 C GLY A 50 -12.728 -6.659 -24.475 1.00 0.00 C ATOM 746 O GLY A 50 -12.720 -6.361 -25.670 1.00 0.00 O ATOM 0 H GLY A 50 -13.385 -8.779 -22.089 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.133 -8.647 -23.953 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.667 -8.555 -24.795 1.00 0.00 H new ATOM 750 N ASP A 51 -12.458 -5.787 -23.510 1.00 0.00 N ATOM 751 CA ASP A 51 -12.130 -4.397 -23.806 1.00 0.00 C ATOM 752 C ASP A 51 -10.631 -4.150 -23.661 1.00 0.00 C ATOM 753 O ASP A 51 -9.901 -4.992 -23.141 1.00 0.00 O ATOM 754 CB ASP A 51 -12.905 -3.459 -22.880 1.00 0.00 C ATOM 755 CG ASP A 51 -12.338 -3.434 -21.474 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.346 -4.492 -20.811 1.00 0.00 O ATOM 757 OD2 ASP A 51 -11.885 -2.355 -21.037 1.00 0.00 O ATOM 0 H ASP A 51 -12.460 -6.018 -22.516 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.416 -4.194 -24.838 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.889 -2.450 -23.293 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.949 -3.771 -22.842 1.00 0.00 H new ATOM 762 N GLY A 52 -10.180 -2.989 -24.127 1.00 0.00 N ATOM 763 CA GLY A 52 -8.771 -2.653 -24.041 1.00 0.00 C ATOM 764 C GLY A 52 -8.423 -1.939 -22.750 1.00 0.00 C ATOM 765 O GLY A 52 -7.759 -0.902 -22.765 1.00 0.00 O ATOM 0 H GLY A 52 -10.765 -2.276 -24.562 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.178 -3.564 -24.120 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.499 -2.021 -24.887 1.00 0.00 H new ATOM 769 N PHE A 53 -8.873 -2.493 -21.629 1.00 0.00 N ATOM 770 CA PHE A 53 -8.608 -1.901 -20.323 1.00 0.00 C ATOM 771 C PHE A 53 -8.927 -2.888 -19.204 1.00 0.00 C ATOM 772 O PHE A 53 -9.817 -3.728 -19.337 1.00 0.00 O ATOM 773 CB PHE A 53 -9.430 -0.624 -20.142 1.00 0.00 C ATOM 774 CG PHE A 53 -8.765 0.602 -20.700 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.586 1.077 -20.149 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.318 1.278 -21.775 1.00 0.00 C ATOM 777 CE1 PHE A 53 -6.972 2.205 -20.660 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.709 2.406 -22.291 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.533 2.870 -21.733 1.00 0.00 C ATOM 0 H PHE A 53 -9.423 -3.351 -21.599 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.548 -1.652 -20.273 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.399 -0.754 -20.625 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.621 -0.472 -19.080 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.142 0.560 -19.311 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.237 0.919 -22.215 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.054 2.566 -20.221 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.151 2.924 -23.129 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.054 3.750 -22.135 1.00 0.00 H new ATOM 789 N ILE A 54 -8.193 -2.780 -18.101 1.00 0.00 N ATOM 790 CA ILE A 54 -8.397 -3.661 -16.958 1.00 0.00 C ATOM 791 C ILE A 54 -8.265 -2.898 -15.645 1.00 0.00 C ATOM 792 O ILE A 54 -7.329 -2.120 -15.459 1.00 0.00 O ATOM 793 CB ILE A 54 -7.395 -4.831 -16.963 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.983 -4.320 -17.257 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.809 -5.878 -17.986 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.891 -5.222 -16.727 1.00 0.00 C ATOM 0 H ILE A 54 -7.452 -2.091 -17.975 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.408 -4.059 -17.043 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.395 -5.295 -15.977 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.862 -4.211 -18.335 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.867 -3.328 -16.821 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.091 -6.698 -17.978 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.799 -6.259 -17.736 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.834 -5.427 -18.978 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.917 -4.797 -16.972 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.986 -5.311 -15.645 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.981 -6.209 -17.182 1.00 0.00 H new ATOM 808 N ASP A 55 -9.206 -3.128 -14.736 1.00 0.00 N ATOM 809 CA ASP A 55 -9.193 -2.465 -13.437 1.00 0.00 C ATOM 810 C ASP A 55 -8.292 -3.208 -12.456 1.00 0.00 C ATOM 811 O ASP A 55 -7.780 -4.285 -12.762 1.00 0.00 O ATOM 812 CB ASP A 55 -10.612 -2.370 -12.875 1.00 0.00 C ATOM 813 CG ASP A 55 -11.658 -2.222 -13.963 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.958 -3.229 -14.638 1.00 0.00 O ATOM 815 OD2 ASP A 55 -12.174 -1.099 -14.141 1.00 0.00 O ATOM 0 H ASP A 55 -9.988 -3.769 -14.875 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.797 -1.459 -13.574 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.827 -3.262 -12.287 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.675 -1.519 -12.197 1.00 0.00 H new ATOM 820 N PHE A 56 -8.103 -2.626 -11.277 1.00 0.00 N ATOM 821 CA PHE A 56 -7.262 -3.232 -10.251 1.00 0.00 C ATOM 822 C PHE A 56 -7.648 -4.691 -10.023 1.00 0.00 C ATOM 823 O PHE A 56 -6.788 -5.549 -9.835 1.00 0.00 O ATOM 824 CB PHE A 56 -7.377 -2.451 -8.940 1.00 0.00 C ATOM 825 CG PHE A 56 -6.139 -2.518 -8.092 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.903 -2.181 -8.620 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.211 -2.918 -6.768 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.762 -2.240 -7.842 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.074 -2.979 -5.985 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.848 -2.641 -6.523 1.00 0.00 C ATOM 0 H PHE A 56 -8.521 -1.735 -11.008 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.229 -3.198 -10.597 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.597 -1.408 -9.166 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.221 -2.838 -8.369 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.830 -1.869 -9.651 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.167 -3.185 -6.343 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.805 -1.973 -8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.144 -3.291 -4.953 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.958 -2.690 -5.913 1.00 0.00 H new ATOM 840 N ASN A 57 -8.949 -4.962 -10.041 1.00 0.00 N ATOM 841 CA ASN A 57 -9.451 -6.316 -9.836 1.00 0.00 C ATOM 842 C ASN A 57 -9.056 -7.224 -10.996 1.00 0.00 C ATOM 843 O ASN A 57 -8.735 -8.395 -10.799 1.00 0.00 O ATOM 844 CB ASN A 57 -10.973 -6.300 -9.680 1.00 0.00 C ATOM 845 CG ASN A 57 -11.422 -6.844 -8.337 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.289 -6.267 -7.680 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.833 -7.959 -7.924 1.00 0.00 N ATOM 0 H ASN A 57 -9.675 -4.262 -10.195 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.004 -6.708 -8.923 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.337 -5.279 -9.795 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.424 -6.891 -10.477 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.094 -8.372 -7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.119 -8.403 -8.502 1.00 0.00 H new ATOM 854 N GLU A 58 -9.084 -6.674 -12.206 1.00 0.00 N ATOM 855 CA GLU A 58 -8.730 -7.436 -13.399 1.00 0.00 C ATOM 856 C GLU A 58 -7.238 -7.757 -13.416 1.00 0.00 C ATOM 857 O GLU A 58 -6.843 -8.920 -13.507 1.00 0.00 O ATOM 858 CB GLU A 58 -9.109 -6.657 -14.660 1.00 0.00 C ATOM 859 CG GLU A 58 -10.602 -6.647 -14.943 1.00 0.00 C ATOM 860 CD GLU A 58 -10.926 -6.178 -16.348 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.616 -6.918 -17.306 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.489 -5.073 -16.490 1.00 0.00 O ATOM 0 H GLU A 58 -9.348 -5.705 -12.386 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.286 -8.373 -13.379 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.760 -5.629 -14.561 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.589 -7.090 -15.514 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.002 -7.650 -14.797 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.100 -5.998 -14.223 1.00 0.00 H new ATOM 869 N PHE A 59 -6.414 -6.718 -13.327 1.00 0.00 N ATOM 870 CA PHE A 59 -4.966 -6.888 -13.334 1.00 0.00 C ATOM 871 C PHE A 59 -4.523 -7.828 -12.216 1.00 0.00 C ATOM 872 O PHE A 59 -3.608 -8.632 -12.393 1.00 0.00 O ATOM 873 CB PHE A 59 -4.271 -5.533 -13.182 1.00 0.00 C ATOM 874 CG PHE A 59 -2.816 -5.561 -13.552 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.399 -6.148 -14.736 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.864 -5.001 -12.715 1.00 0.00 C ATOM 877 CE1 PHE A 59 -1.061 -6.175 -15.080 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.524 -5.024 -13.054 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.122 -5.613 -14.237 1.00 0.00 C ATOM 0 H PHE A 59 -6.725 -5.750 -13.249 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.682 -7.329 -14.289 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.782 -4.799 -13.806 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.369 -5.197 -12.150 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.129 -6.590 -15.398 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.172 -4.541 -11.788 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.750 -6.635 -16.006 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.208 -4.582 -12.394 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.925 -5.634 -14.502 1.00 0.00 H new ATOM 889 N ILE A 60 -5.179 -7.718 -11.065 1.00 0.00 N ATOM 890 CA ILE A 60 -4.854 -8.557 -9.919 1.00 0.00 C ATOM 891 C ILE A 60 -5.197 -10.018 -10.192 1.00 0.00 C ATOM 892 O ILE A 60 -4.397 -10.914 -9.924 1.00 0.00 O ATOM 893 CB ILE A 60 -5.600 -8.095 -8.653 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.921 -6.859 -8.057 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.656 -9.220 -7.631 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.617 -7.167 -7.355 1.00 0.00 C ATOM 0 H ILE A 60 -5.938 -7.056 -10.902 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.781 -8.463 -9.754 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.621 -7.829 -8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.735 -6.137 -8.852 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.602 -6.385 -7.350 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.186 -8.878 -6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.179 -10.075 -8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.643 -9.514 -7.358 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.191 -6.246 -6.957 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.800 -7.865 -6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.919 -7.613 -8.063 1.00 0.00 H new ATOM 908 N SER A 61 -6.391 -10.250 -10.728 1.00 0.00 N ATOM 909 CA SER A 61 -6.841 -11.602 -11.036 1.00 0.00 C ATOM 910 C SER A 61 -5.773 -12.367 -11.812 1.00 0.00 C ATOM 911 O SER A 61 -5.704 -13.594 -11.751 1.00 0.00 O ATOM 912 CB SER A 61 -8.140 -11.558 -11.842 1.00 0.00 C ATOM 913 OG SER A 61 -8.461 -12.837 -12.362 1.00 0.00 O ATOM 0 H SER A 61 -7.064 -9.519 -10.958 1.00 0.00 H new ATOM 0 HA SER A 61 -7.023 -12.121 -10.095 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.953 -11.205 -11.208 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.040 -10.844 -12.660 1.00 0.00 H new ATOM 0 HG SER A 61 -9.296 -12.783 -12.872 1.00 0.00 H new ATOM 919 N PHE A 62 -4.941 -11.631 -12.542 1.00 0.00 N ATOM 920 CA PHE A 62 -3.876 -12.238 -13.331 1.00 0.00 C ATOM 921 C PHE A 62 -2.798 -12.829 -12.427 1.00 0.00 C ATOM 922 O PHE A 62 -2.310 -13.935 -12.666 1.00 0.00 O ATOM 923 CB PHE A 62 -3.257 -11.204 -14.273 1.00 0.00 C ATOM 924 CG PHE A 62 -2.555 -11.812 -15.454 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.530 -12.727 -15.272 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.920 -11.469 -16.746 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.883 -13.287 -16.357 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.276 -12.026 -17.834 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.257 -12.937 -17.639 1.00 0.00 C ATOM 0 H PHE A 62 -4.984 -10.614 -12.603 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.311 -13.044 -13.923 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.040 -10.536 -14.631 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.548 -10.594 -13.714 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.234 -13.005 -14.271 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.717 -10.758 -16.904 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.085 -13.998 -16.202 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.569 -11.749 -18.836 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.753 -13.375 -18.488 1.00 0.00 H new ATOM 939 N CYS A 63 -2.431 -12.085 -11.390 1.00 0.00 N ATOM 940 CA CYS A 63 -1.410 -12.533 -10.450 1.00 0.00 C ATOM 941 C CYS A 63 -1.967 -13.593 -9.506 1.00 0.00 C ATOM 942 O CYS A 63 -1.321 -14.606 -9.242 1.00 0.00 O ATOM 943 CB CYS A 63 -0.871 -11.349 -9.646 1.00 0.00 C ATOM 944 SG CYS A 63 0.396 -11.793 -8.436 1.00 0.00 S ATOM 0 H CYS A 63 -2.825 -11.168 -11.179 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.594 -12.975 -11.022 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.457 -10.614 -10.336 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.701 -10.868 -9.127 1.00 0.00 H new ATOM 0 HG CYS A 63 0.921 -10.712 -7.941 1.00 0.00 H new ATOM 950 N ASN A 64 -3.172 -13.351 -8.999 1.00 0.00 N ATOM 951 CA ASN A 64 -3.816 -14.284 -8.081 1.00 0.00 C ATOM 952 C ASN A 64 -3.950 -15.665 -8.715 1.00 0.00 C ATOM 953 O ASN A 64 -4.035 -16.675 -8.015 1.00 0.00 O ATOM 954 CB ASN A 64 -5.196 -13.762 -7.675 1.00 0.00 C ATOM 955 CG ASN A 64 -5.214 -13.219 -6.259 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.690 -13.880 -5.335 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.696 -12.009 -6.082 1.00 0.00 N ATOM 0 H ASN A 64 -3.722 -12.518 -9.208 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.191 -14.370 -7.192 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.503 -12.977 -8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.926 -14.567 -7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.682 -11.592 -5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.312 -11.497 -6.877 1.00 0.00 H new ATOM 964 N ALA A 65 -3.966 -15.702 -10.043 1.00 0.00 N ATOM 965 CA ALA A 65 -4.087 -16.959 -10.771 1.00 0.00 C ATOM 966 C ALA A 65 -2.743 -17.674 -10.858 1.00 0.00 C ATOM 967 O ALA A 65 -2.683 -18.875 -11.118 1.00 0.00 O ATOM 968 CB ALA A 65 -4.645 -16.711 -12.164 1.00 0.00 C ATOM 0 H ALA A 65 -3.897 -14.876 -10.637 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.777 -17.602 -10.224 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.730 -17.659 -12.696 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.629 -16.250 -12.085 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.976 -16.047 -12.711 1.00 0.00 H new ATOM 974 N ASN A 66 -1.665 -16.927 -10.639 1.00 0.00 N ATOM 975 CA ASN A 66 -0.321 -17.490 -10.694 1.00 0.00 C ATOM 976 C ASN A 66 -0.129 -18.318 -11.961 1.00 0.00 C ATOM 977 O ASN A 66 0.242 -19.491 -11.916 1.00 0.00 O ATOM 978 CB ASN A 66 -0.058 -18.357 -9.461 1.00 0.00 C ATOM 979 CG ASN A 66 0.387 -17.539 -8.263 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.581 -17.402 -8.000 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.576 -16.991 -7.532 1.00 0.00 N ATOM 0 H ASN A 66 -1.696 -15.931 -10.422 1.00 0.00 H new ATOM 0 HA ASN A 66 0.391 -16.665 -10.709 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.965 -18.906 -9.206 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.707 -19.097 -9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.339 -16.429 -6.714 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.553 -17.132 -7.788 1.00 0.00 H new ATOM 988 N PRO A 67 -0.387 -17.694 -13.120 1.00 0.00 N ATOM 989 CA PRO A 67 -0.248 -18.353 -14.422 1.00 0.00 C ATOM 990 C PRO A 67 1.208 -18.627 -14.781 1.00 0.00 C ATOM 991 O PRO A 67 1.509 -19.558 -15.527 1.00 0.00 O ATOM 992 CB PRO A 67 -0.858 -17.343 -15.398 1.00 0.00 C ATOM 993 CG PRO A 67 -0.705 -16.024 -14.722 1.00 0.00 C ATOM 994 CD PRO A 67 -0.833 -16.296 -13.249 1.00 0.00 C ATOM 0 HA PRO A 67 -0.733 -19.329 -14.438 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.342 -17.358 -16.358 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.906 -17.567 -15.596 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.262 -15.577 -14.954 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.469 -15.323 -15.057 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.213 -15.620 -12.660 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.859 -16.168 -12.904 1.00 0.00 H new ATOM 1002 N GLY A 68 2.109 -17.811 -14.244 1.00 0.00 N ATOM 1003 CA GLY A 68 3.524 -17.983 -14.519 1.00 0.00 C ATOM 1004 C GLY A 68 4.074 -16.901 -15.427 1.00 0.00 C ATOM 1005 O GLY A 68 5.201 -17.001 -15.913 1.00 0.00 O ATOM 0 H GLY A 68 1.885 -17.033 -13.623 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.077 -17.980 -13.579 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.685 -18.957 -14.981 1.00 0.00 H new ATOM 1009 N LEU A 69 3.277 -15.864 -15.659 1.00 0.00 N ATOM 1010 CA LEU A 69 3.689 -14.758 -16.517 1.00 0.00 C ATOM 1011 C LEU A 69 4.134 -13.560 -15.684 1.00 0.00 C ATOM 1012 O LEU A 69 5.277 -13.115 -15.781 1.00 0.00 O ATOM 1013 CB LEU A 69 2.543 -14.352 -17.445 1.00 0.00 C ATOM 1014 CG LEU A 69 2.113 -15.395 -18.476 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.287 -15.787 -19.361 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.531 -16.620 -17.786 1.00 0.00 C ATOM 0 H LEU A 69 2.341 -15.766 -15.265 1.00 0.00 H new ATOM 0 HA LEU A 69 4.534 -15.092 -17.119 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.678 -14.098 -16.832 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.835 -13.445 -17.975 1.00 0.00 H new ATOM 0 HG LEU A 69 1.340 -14.956 -19.106 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.962 -16.530 -20.089 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.659 -14.906 -19.884 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.083 -16.206 -18.745 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.230 -17.352 -18.536 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.283 -17.060 -17.131 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.662 -16.327 -17.196 1.00 0.00 H new ATOM 1028 N MET A 70 3.223 -13.044 -14.866 1.00 0.00 N ATOM 1029 CA MET A 70 3.523 -11.899 -14.013 1.00 0.00 C ATOM 1030 C MET A 70 4.675 -12.215 -13.064 1.00 0.00 C ATOM 1031 O MET A 70 5.352 -11.312 -12.572 1.00 0.00 O ATOM 1032 CB MET A 70 2.284 -11.493 -13.213 1.00 0.00 C ATOM 1033 CG MET A 70 1.050 -11.271 -14.073 1.00 0.00 C ATOM 1034 SD MET A 70 0.585 -9.533 -14.185 1.00 0.00 S ATOM 1035 CE MET A 70 1.739 -8.952 -15.425 1.00 0.00 C ATOM 0 H MET A 70 2.271 -13.400 -14.775 1.00 0.00 H new ATOM 0 HA MET A 70 3.821 -11.069 -14.653 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.068 -12.266 -12.476 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.502 -10.578 -12.661 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.236 -11.659 -15.075 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.217 -11.840 -13.660 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.507 -7.918 -15.682 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.754 -9.009 -15.032 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.659 -9.574 -16.316 1.00 0.00 H new ATOM 1045 N LYS A 71 4.891 -13.501 -12.811 1.00 0.00 N ATOM 1046 CA LYS A 71 5.961 -13.936 -11.922 1.00 0.00 C ATOM 1047 C LYS A 71 7.281 -13.267 -12.291 1.00 0.00 C ATOM 1048 O LYS A 71 8.002 -12.774 -11.423 1.00 0.00 O ATOM 1049 CB LYS A 71 6.114 -15.458 -11.981 1.00 0.00 C ATOM 1050 CG LYS A 71 5.009 -16.209 -11.260 1.00 0.00 C ATOM 1051 CD LYS A 71 5.546 -17.434 -10.539 1.00 0.00 C ATOM 1052 CE LYS A 71 5.844 -18.566 -11.510 1.00 0.00 C ATOM 1053 NZ LYS A 71 6.670 -19.634 -10.881 1.00 0.00 N ATOM 0 H LYS A 71 4.339 -14.261 -13.209 1.00 0.00 H new ATOM 0 HA LYS A 71 5.697 -13.643 -10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.134 -15.772 -13.024 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.074 -15.735 -11.546 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.526 -15.546 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.246 -16.513 -11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.454 -17.170 -9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.819 -17.770 -9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.907 -18.994 -11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.365 -18.169 -12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.851 -20.387 -11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.575 -19.231 -10.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.162 -20.031 -10.065 1.00 0.00 H new ATOM 1067 N ASP A 72 7.591 -13.253 -13.582 1.00 0.00 N ATOM 1068 CA ASP A 72 8.824 -12.642 -14.066 1.00 0.00 C ATOM 1069 C ASP A 72 8.642 -11.141 -14.271 1.00 0.00 C ATOM 1070 O ASP A 72 9.586 -10.365 -14.124 1.00 0.00 O ATOM 1071 CB ASP A 72 9.264 -13.298 -15.376 1.00 0.00 C ATOM 1072 CG ASP A 72 10.026 -14.589 -15.149 1.00 0.00 C ATOM 1073 OD1 ASP A 72 11.163 -14.523 -14.638 1.00 0.00 O ATOM 1074 OD2 ASP A 72 9.486 -15.664 -15.484 1.00 0.00 O ATOM 0 H ASP A 72 7.006 -13.658 -14.313 1.00 0.00 H new ATOM 0 HA ASP A 72 9.597 -12.797 -13.313 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.387 -13.500 -15.990 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.891 -12.603 -15.935 1.00 0.00 H new ATOM 1079 N VAL A 73 7.422 -10.739 -14.613 1.00 0.00 N ATOM 1080 CA VAL A 73 7.116 -9.331 -14.838 1.00 0.00 C ATOM 1081 C VAL A 73 7.312 -8.516 -13.565 1.00 0.00 C ATOM 1082 O VAL A 73 8.098 -7.569 -13.536 1.00 0.00 O ATOM 1083 CB VAL A 73 5.671 -9.143 -15.337 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.379 -7.672 -15.586 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.432 -9.963 -16.596 1.00 0.00 C ATOM 0 H VAL A 73 6.629 -11.368 -14.740 1.00 0.00 H new ATOM 0 HA VAL A 73 7.806 -8.976 -15.604 1.00 0.00 H new ATOM 0 HB VAL A 73 4.989 -9.498 -14.564 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.354 -7.559 -15.938 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.508 -7.113 -14.659 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.066 -7.287 -16.340 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.406 -9.819 -16.935 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.121 -9.640 -17.377 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.597 -11.018 -16.380 1.00 0.00 H new ATOM 1095 N ALA A 74 6.592 -8.890 -12.512 1.00 0.00 N ATOM 1096 CA ALA A 74 6.689 -8.195 -11.234 1.00 0.00 C ATOM 1097 C ALA A 74 8.118 -8.217 -10.704 1.00 0.00 C ATOM 1098 O ALA A 74 8.495 -7.392 -9.871 1.00 0.00 O ATOM 1099 CB ALA A 74 5.739 -8.817 -10.222 1.00 0.00 C ATOM 0 H ALA A 74 5.935 -9.670 -12.519 1.00 0.00 H new ATOM 0 HA ALA A 74 6.404 -7.155 -11.392 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.822 -8.288 -9.272 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.716 -8.743 -10.590 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.998 -9.866 -10.077 1.00 0.00 H new ATOM 1105 N LYS A 75 8.911 -9.165 -11.192 1.00 0.00 N ATOM 1106 CA LYS A 75 10.300 -9.295 -10.768 1.00 0.00 C ATOM 1107 C LYS A 75 11.121 -8.091 -11.218 1.00 0.00 C ATOM 1108 O LYS A 75 12.095 -7.713 -10.567 1.00 0.00 O ATOM 1109 CB LYS A 75 10.909 -10.581 -11.332 1.00 0.00 C ATOM 1110 CG LYS A 75 11.932 -10.339 -12.429 1.00 0.00 C ATOM 1111 CD LYS A 75 12.283 -11.625 -13.158 1.00 0.00 C ATOM 1112 CE LYS A 75 12.842 -12.671 -12.205 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.054 -13.334 -12.760 1.00 0.00 N ATOM 0 H LYS A 75 8.615 -9.855 -11.882 1.00 0.00 H new ATOM 0 HA LYS A 75 10.319 -9.339 -9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.382 -11.135 -10.521 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.110 -11.210 -11.724 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.539 -9.612 -13.140 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.835 -9.907 -11.997 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.395 -12.019 -13.652 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.014 -11.414 -13.938 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.089 -12.200 -11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.078 -13.422 -12.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.405 -14.040 -12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.813 -13.805 -13.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.792 -12.621 -12.931 1.00 0.00 H new ATOM 1127 N VAL A 76 10.719 -7.490 -12.333 1.00 0.00 N ATOM 1128 CA VAL A 76 11.416 -6.327 -12.869 1.00 0.00 C ATOM 1129 C VAL A 76 10.617 -5.050 -12.631 1.00 0.00 C ATOM 1130 O VAL A 76 10.776 -4.063 -13.350 1.00 0.00 O ATOM 1131 CB VAL A 76 11.684 -6.478 -14.378 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.759 -7.525 -14.627 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.401 -6.835 -15.113 1.00 0.00 C ATOM 0 H VAL A 76 9.914 -7.789 -12.883 1.00 0.00 H new ATOM 0 HA VAL A 76 12.369 -6.260 -12.344 1.00 0.00 H new ATOM 0 HB VAL A 76 12.043 -5.524 -14.763 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.935 -7.618 -15.699 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.682 -7.223 -14.132 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.431 -8.485 -14.228 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.608 -6.938 -16.178 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.010 -7.776 -14.727 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.664 -6.047 -14.962 1.00 0.00 H new ATOM 1143 N PHE A 77 9.758 -5.076 -11.617 1.00 0.00 N ATOM 1144 CA PHE A 77 8.934 -3.921 -11.284 1.00 0.00 C ATOM 1145 C PHE A 77 8.196 -4.141 -9.967 1.00 0.00 C ATOM 1146 O PHE A 77 7.296 -4.975 -9.880 1.00 0.00 O ATOM 1147 CB PHE A 77 7.928 -3.645 -12.405 1.00 0.00 C ATOM 1148 CG PHE A 77 7.690 -2.183 -12.650 1.00 0.00 C ATOM 1149 CD1 PHE A 77 6.757 -1.484 -11.901 1.00 0.00 C ATOM 1150 CD2 PHE A 77 8.400 -1.506 -13.628 1.00 0.00 C ATOM 1151 CE1 PHE A 77 6.535 -0.139 -12.125 1.00 0.00 C ATOM 1152 CE2 PHE A 77 8.183 -0.160 -13.857 1.00 0.00 C ATOM 1153 CZ PHE A 77 7.250 0.524 -13.103 1.00 0.00 C ATOM 0 H PHE A 77 9.615 -5.885 -11.012 1.00 0.00 H new ATOM 0 HA PHE A 77 9.590 -3.058 -11.173 1.00 0.00 H new ATOM 0 HB2 PHE A 77 8.286 -4.106 -13.325 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.980 -4.123 -12.157 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.197 -1.997 -11.133 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.132 -2.036 -14.219 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.803 0.393 -11.536 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.742 0.355 -14.624 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.080 1.576 -13.278 1.00 0.00 H new TER 1163 PHE A 77 HETATM 1164 MG MG A 101 -11.402 -5.426 -18.950 1.00 0.00 MG