USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 555 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 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 MET CE :methyl -123:sc= -0.0353 (180deg=-0.0138) USER MOD Set 1.3: A 71 MET CE :methyl -146:sc= -0.888 (180deg=-2.71) USER MOD Single : A 3 GLN : amide:sc= -0.0383 X(o=-0.038,f=-0.41) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 8 GLN : amide:sc= 0.107 K(o=0.11,f=-2.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -15:sc= 0.833 USER MOD Single : A 21 LYS NZ :NH3+ -122:sc= -0.171 (180deg=-0.299) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -40:sc= 1.3 USER MOD Single : A 41 GLN : amide:sc= -0.0504 X(o=-0.05,f=-0.16) USER MOD Single : A 42 ASN : amide:sc= 0.351 X(o=0.35,f=-0.12) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.572 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 53 ASN : amide:sc= -0.0752 K(o=-0.075,f=-2.1!) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.56 F(o=-4.1!,f=-1.6) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 167:sc= -0.632 (180deg=-1.32) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 10.026 13.376 -8.176 1.00 1.13 N ATOM 14 CA ASP A 2 9.785 12.168 -7.343 1.00 1.00 C ATOM 15 C ASP A 2 9.721 10.938 -8.242 1.00 0.80 C ATOM 16 O ASP A 2 8.654 10.432 -8.525 1.00 0.77 O ATOM 17 CB ASP A 2 8.467 12.306 -6.595 1.00 1.04 C ATOM 18 CG ASP A 2 7.368 12.749 -7.562 1.00 1.66 C ATOM 19 OD1 ASP A 2 7.631 12.781 -8.753 1.00 2.21 O ATOM 20 OD2 ASP A 2 6.282 13.049 -7.095 1.00 2.26 O ATOM 0 HA ASP A 2 10.599 12.063 -6.625 1.00 1.00 H new ATOM 0 HB2 ASP A 2 8.198 11.355 -6.135 1.00 1.04 H new ATOM 0 HB3 ASP A 2 8.570 13.033 -5.789 1.00 1.04 H new ATOM 25 N GLN A 3 10.841 10.374 -8.587 1.00 0.74 N ATOM 26 CA GLN A 3 10.849 9.085 -9.342 1.00 0.58 C ATOM 27 C GLN A 3 11.167 8.023 -8.286 1.00 0.38 C ATOM 28 O GLN A 3 12.191 8.104 -7.636 1.00 0.32 O ATOM 29 CB GLN A 3 11.922 9.114 -10.439 1.00 0.57 C ATOM 30 CG GLN A 3 13.313 9.113 -9.807 1.00 0.81 C ATOM 31 CD GLN A 3 14.345 9.613 -10.822 1.00 0.78 C ATOM 32 OE1 GLN A 3 14.153 10.637 -11.447 1.00 0.99 O ATOM 33 NE2 GLN A 3 15.437 8.926 -11.014 1.00 1.84 N ATOM 0 H GLN A 3 11.765 10.753 -8.377 1.00 0.74 H new ATOM 0 HA GLN A 3 9.903 8.888 -9.846 1.00 0.58 H new ATOM 0 HB2 GLN A 3 11.810 8.249 -11.093 1.00 0.57 H new ATOM 0 HB3 GLN A 3 11.796 10.001 -11.060 1.00 0.57 H new ATOM 0 HG2 GLN A 3 13.321 9.750 -8.923 1.00 0.81 H new ATOM 0 HG3 GLN A 3 13.572 8.107 -9.477 1.00 0.81 H new ATOM 0 HE21 GLN A 3 15.598 8.066 -10.489 1.00 1.84 H new ATOM 0 HE22 GLN A 3 16.130 9.248 -11.689 1.00 1.84 H new ATOM 42 N LEU A 4 10.337 7.036 -8.072 1.00 0.32 N ATOM 43 CA LEU A 4 10.704 6.042 -7.024 1.00 0.20 C ATOM 44 C LEU A 4 12.030 5.398 -7.438 1.00 0.26 C ATOM 45 O LEU A 4 12.213 5.008 -8.574 1.00 0.35 O ATOM 46 CB LEU A 4 9.611 4.975 -6.866 1.00 0.29 C ATOM 47 CG LEU A 4 8.281 5.627 -6.460 1.00 0.17 C ATOM 48 CD1 LEU A 4 7.174 4.564 -6.471 1.00 0.21 C ATOM 49 CD2 LEU A 4 8.396 6.233 -5.051 1.00 0.02 C ATOM 0 H LEU A 4 9.454 6.878 -8.557 1.00 0.32 H new ATOM 0 HA LEU A 4 10.806 6.539 -6.059 1.00 0.20 H new ATOM 0 HB2 LEU A 4 9.486 4.432 -7.803 1.00 0.29 H new ATOM 0 HB3 LEU A 4 9.911 4.247 -6.113 1.00 0.29 H new ATOM 0 HG LEU A 4 8.040 6.421 -7.167 1.00 0.17 H new ATOM 0 HD11 LEU A 4 6.227 5.022 -6.183 1.00 0.21 H new ATOM 0 HD12 LEU A 4 7.084 4.143 -7.472 1.00 0.21 H new ATOM 0 HD13 LEU A 4 7.423 3.772 -5.765 1.00 0.21 H new ATOM 0 HD21 LEU A 4 7.447 6.692 -4.774 1.00 0.02 H new ATOM 0 HD22 LEU A 4 8.641 5.448 -4.336 1.00 0.02 H new ATOM 0 HD23 LEU A 4 9.181 6.989 -5.043 1.00 0.02 H new ATOM 61 N THR A 5 12.960 5.291 -6.527 1.00 0.23 N ATOM 62 CA THR A 5 14.277 4.681 -6.861 1.00 0.31 C ATOM 63 C THR A 5 14.185 3.158 -6.759 1.00 0.37 C ATOM 64 O THR A 5 13.285 2.621 -6.145 1.00 0.39 O ATOM 65 CB THR A 5 15.336 5.188 -5.875 1.00 0.29 C ATOM 66 OG1 THR A 5 15.071 4.658 -4.585 1.00 0.29 O ATOM 67 CG2 THR A 5 15.297 6.716 -5.817 1.00 0.22 C ATOM 0 H THR A 5 12.862 5.602 -5.561 1.00 0.23 H new ATOM 0 HA THR A 5 14.553 4.959 -7.878 1.00 0.31 H new ATOM 0 HB THR A 5 16.323 4.866 -6.207 1.00 0.29 H new ATOM 0 HG1 THR A 5 15.748 4.980 -3.954 1.00 0.29 H new ATOM 0 HG21 THR A 5 16.051 7.073 -5.115 1.00 0.22 H new ATOM 0 HG22 THR A 5 15.501 7.123 -6.807 1.00 0.22 H new ATOM 0 HG23 THR A 5 14.311 7.043 -5.487 1.00 0.22 H new ATOM 75 N GLU A 6 15.104 2.459 -7.366 1.00 0.42 N ATOM 76 CA GLU A 6 15.066 0.969 -7.314 1.00 0.49 C ATOM 77 C GLU A 6 15.085 0.477 -5.862 1.00 0.49 C ATOM 78 O GLU A 6 14.395 -0.458 -5.510 1.00 0.53 O ATOM 79 CB GLU A 6 16.283 0.404 -8.048 1.00 0.55 C ATOM 80 CG GLU A 6 16.136 0.645 -9.552 1.00 1.15 C ATOM 81 CD GLU A 6 15.024 -0.244 -10.114 1.00 1.06 C ATOM 82 OE1 GLU A 6 14.695 -1.228 -9.473 1.00 0.89 O ATOM 83 OE2 GLU A 6 14.520 0.075 -11.179 1.00 2.08 O ATOM 0 H GLU A 6 15.880 2.855 -7.896 1.00 0.42 H new ATOM 0 HA GLU A 6 14.147 0.629 -7.791 1.00 0.49 H new ATOM 0 HB2 GLU A 6 17.193 0.878 -7.681 1.00 0.55 H new ATOM 0 HB3 GLU A 6 16.377 -0.663 -7.848 1.00 0.55 H new ATOM 0 HG2 GLU A 6 15.906 1.694 -9.741 1.00 1.15 H new ATOM 0 HG3 GLU A 6 17.077 0.429 -10.058 1.00 1.15 H new ATOM 90 N GLU A 7 15.865 1.094 -5.014 1.00 0.47 N ATOM 91 CA GLU A 7 15.918 0.649 -3.587 1.00 0.49 C ATOM 92 C GLU A 7 14.573 0.920 -2.905 1.00 0.46 C ATOM 93 O GLU A 7 14.074 0.102 -2.158 1.00 0.56 O ATOM 94 CB GLU A 7 17.012 1.428 -2.853 1.00 0.46 C ATOM 95 CG GLU A 7 18.389 0.991 -3.361 1.00 0.60 C ATOM 96 CD GLU A 7 18.686 -0.434 -2.889 1.00 1.95 C ATOM 97 OE1 GLU A 7 18.065 -0.861 -1.929 1.00 2.18 O ATOM 98 OE2 GLU A 7 19.530 -1.074 -3.495 1.00 3.20 O ATOM 0 H GLU A 7 16.467 1.885 -5.245 1.00 0.47 H new ATOM 0 HA GLU A 7 16.134 -0.419 -3.555 1.00 0.49 H new ATOM 0 HB2 GLU A 7 16.878 2.498 -3.012 1.00 0.46 H new ATOM 0 HB3 GLU A 7 16.938 1.253 -1.780 1.00 0.46 H new ATOM 0 HG2 GLU A 7 18.417 1.037 -4.450 1.00 0.60 H new ATOM 0 HG3 GLU A 7 19.156 1.673 -2.994 1.00 0.60 H new ATOM 105 N GLN A 8 13.973 2.056 -3.154 1.00 0.33 N ATOM 106 CA GLN A 8 12.661 2.348 -2.512 1.00 0.30 C ATOM 107 C GLN A 8 11.646 1.324 -3.014 1.00 0.29 C ATOM 108 O GLN A 8 10.802 0.856 -2.275 1.00 0.28 O ATOM 109 CB GLN A 8 12.202 3.765 -2.868 1.00 0.30 C ATOM 110 CG GLN A 8 13.094 4.786 -2.158 1.00 0.29 C ATOM 111 CD GLN A 8 12.698 6.197 -2.596 1.00 0.34 C ATOM 112 OE1 GLN A 8 12.091 6.377 -3.633 1.00 0.59 O ATOM 113 NE2 GLN A 8 13.018 7.213 -1.843 1.00 0.97 N ATOM 0 H GLN A 8 14.332 2.786 -3.769 1.00 0.33 H new ATOM 0 HA GLN A 8 12.753 2.284 -1.428 1.00 0.30 H new ATOM 0 HB2 GLN A 8 12.249 3.913 -3.947 1.00 0.30 H new ATOM 0 HB3 GLN A 8 11.163 3.907 -2.572 1.00 0.30 H new ATOM 0 HG2 GLN A 8 12.991 4.686 -1.077 1.00 0.29 H new ATOM 0 HG3 GLN A 8 14.141 4.599 -2.397 1.00 0.29 H new ATOM 0 HE21 GLN A 8 13.528 7.062 -0.972 1.00 0.97 H new ATOM 0 HE22 GLN A 8 12.759 8.158 -2.125 1.00 0.97 H new ATOM 122 N ILE A 9 11.721 0.966 -4.270 1.00 0.30 N ATOM 123 CA ILE A 9 10.760 -0.030 -4.803 1.00 0.29 C ATOM 124 C ILE A 9 11.010 -1.377 -4.127 1.00 0.26 C ATOM 125 O ILE A 9 10.087 -2.074 -3.755 1.00 0.25 O ATOM 126 CB ILE A 9 10.920 -0.173 -6.320 1.00 0.29 C ATOM 127 CG1 ILE A 9 10.534 1.147 -6.991 1.00 0.36 C ATOM 128 CG2 ILE A 9 10.000 -1.290 -6.824 1.00 0.29 C ATOM 129 CD1 ILE A 9 10.952 1.119 -8.462 1.00 0.36 C ATOM 0 H ILE A 9 12.403 1.320 -4.941 1.00 0.30 H new ATOM 0 HA ILE A 9 9.744 0.306 -4.594 1.00 0.29 H new ATOM 0 HB ILE A 9 11.954 -0.418 -6.561 1.00 0.29 H new ATOM 0 HG12 ILE A 9 9.459 1.306 -6.912 1.00 0.36 H new ATOM 0 HG13 ILE A 9 11.018 1.980 -6.481 1.00 0.36 H new ATOM 0 HG21 ILE A 9 10.112 -1.394 -7.903 1.00 0.29 H new ATOM 0 HG22 ILE A 9 10.268 -2.229 -6.339 1.00 0.29 H new ATOM 0 HG23 ILE A 9 8.965 -1.043 -6.589 1.00 0.29 H new ATOM 0 HD11 ILE A 9 10.676 2.060 -8.937 1.00 0.36 H new ATOM 0 HD12 ILE A 9 12.031 0.981 -8.531 1.00 0.36 H new ATOM 0 HD13 ILE A 9 10.448 0.296 -8.968 1.00 0.36 H new ATOM 141 N ALA A 10 12.248 -1.758 -3.973 1.00 0.25 N ATOM 142 CA ALA A 10 12.546 -3.064 -3.332 1.00 0.22 C ATOM 143 C ALA A 10 12.025 -3.081 -1.884 1.00 0.20 C ATOM 144 O ALA A 10 11.343 -4.000 -1.483 1.00 0.30 O ATOM 145 CB ALA A 10 14.071 -3.306 -3.367 1.00 0.25 C ATOM 0 H ALA A 10 13.064 -1.220 -4.264 1.00 0.25 H new ATOM 0 HA ALA A 10 12.043 -3.862 -3.878 1.00 0.22 H new ATOM 0 HB1 ALA A 10 14.298 -4.263 -2.898 1.00 0.25 H new ATOM 0 HB2 ALA A 10 14.414 -3.318 -4.402 1.00 0.25 H new ATOM 0 HB3 ALA A 10 14.579 -2.507 -2.826 1.00 0.25 H new ATOM 151 N GLU A 11 12.334 -2.086 -1.092 1.00 0.16 N ATOM 152 CA GLU A 11 11.843 -2.090 0.315 1.00 0.16 C ATOM 153 C GLU A 11 10.312 -2.203 0.303 1.00 0.12 C ATOM 154 O GLU A 11 9.732 -2.914 1.098 1.00 0.12 O ATOM 155 CB GLU A 11 12.293 -0.781 1.008 1.00 0.23 C ATOM 156 CG GLU A 11 12.888 -1.084 2.386 1.00 0.85 C ATOM 157 CD GLU A 11 13.291 0.226 3.068 1.00 1.20 C ATOM 158 OE1 GLU A 11 13.352 1.233 2.383 1.00 1.92 O ATOM 159 OE2 GLU A 11 13.531 0.199 4.264 1.00 1.54 O ATOM 0 H GLU A 11 12.899 -1.279 -1.357 1.00 0.16 H new ATOM 0 HA GLU A 11 12.255 -2.936 0.866 1.00 0.16 H new ATOM 0 HB2 GLU A 11 13.032 -0.270 0.390 1.00 0.23 H new ATOM 0 HB3 GLU A 11 11.443 -0.106 1.112 1.00 0.23 H new ATOM 0 HG2 GLU A 11 12.161 -1.616 2.999 1.00 0.85 H new ATOM 0 HG3 GLU A 11 13.756 -1.735 2.284 1.00 0.85 H new ATOM 166 N PHE A 12 9.650 -1.522 -0.597 1.00 0.11 N ATOM 167 CA PHE A 12 8.163 -1.623 -0.641 1.00 0.07 C ATOM 168 C PHE A 12 7.767 -3.051 -1.003 1.00 0.04 C ATOM 169 O PHE A 12 6.825 -3.594 -0.460 1.00 0.06 O ATOM 170 CB PHE A 12 7.573 -0.673 -1.684 1.00 0.04 C ATOM 171 CG PHE A 12 8.046 0.763 -1.507 1.00 0.13 C ATOM 172 CD1 PHE A 12 8.406 1.280 -0.247 1.00 2.03 C ATOM 173 CD2 PHE A 12 8.097 1.596 -2.634 1.00 2.23 C ATOM 174 CE1 PHE A 12 8.812 2.614 -0.129 1.00 1.99 C ATOM 175 CE2 PHE A 12 8.507 2.926 -2.510 1.00 2.27 C ATOM 176 CZ PHE A 12 8.863 3.437 -1.259 1.00 0.30 C ATOM 0 H PHE A 12 10.070 -0.908 -1.295 1.00 0.11 H new ATOM 0 HA PHE A 12 7.775 -1.350 0.340 1.00 0.07 H new ATOM 0 HB2 PHE A 12 7.845 -1.020 -2.681 1.00 0.04 H new ATOM 0 HB3 PHE A 12 6.485 -0.703 -1.622 1.00 0.04 H new ATOM 0 HD1 PHE A 12 8.369 0.647 0.627 1.00 2.03 H new ATOM 0 HD2 PHE A 12 7.818 1.208 -3.602 1.00 2.23 H new ATOM 0 HE1 PHE A 12 9.087 3.009 0.838 1.00 1.99 H new ATOM 0 HE2 PHE A 12 8.549 3.561 -3.383 1.00 2.27 H new ATOM 0 HZ PHE A 12 9.177 4.466 -1.165 1.00 0.30 H new ATOM 186 N LYS A 13 8.450 -3.662 -1.925 1.00 0.04 N ATOM 187 CA LYS A 13 8.081 -5.047 -2.327 1.00 0.04 C ATOM 188 C LYS A 13 8.287 -6.032 -1.176 1.00 0.06 C ATOM 189 O LYS A 13 7.455 -6.880 -0.928 1.00 0.10 O ATOM 190 CB LYS A 13 8.949 -5.465 -3.523 1.00 0.06 C ATOM 191 CG LYS A 13 8.272 -6.615 -4.282 1.00 0.14 C ATOM 192 CD LYS A 13 9.102 -6.986 -5.528 1.00 0.04 C ATOM 193 CE LYS A 13 8.196 -7.605 -6.601 1.00 0.14 C ATOM 194 NZ LYS A 13 9.022 -8.403 -7.551 1.00 0.79 N ATOM 0 H LYS A 13 9.249 -3.264 -2.419 1.00 0.04 H new ATOM 0 HA LYS A 13 7.026 -5.063 -2.599 1.00 0.04 H new ATOM 0 HB2 LYS A 13 9.098 -4.616 -4.190 1.00 0.06 H new ATOM 0 HB3 LYS A 13 9.935 -5.776 -3.177 1.00 0.06 H new ATOM 0 HG2 LYS A 13 8.172 -7.483 -3.630 1.00 0.14 H new ATOM 0 HG3 LYS A 13 7.265 -6.322 -4.580 1.00 0.14 H new ATOM 0 HD2 LYS A 13 9.594 -6.098 -5.925 1.00 0.04 H new ATOM 0 HD3 LYS A 13 9.888 -7.690 -5.254 1.00 0.04 H new ATOM 0 HE2 LYS A 13 7.444 -8.241 -6.134 1.00 0.14 H new ATOM 0 HE3 LYS A 13 7.662 -6.821 -7.137 1.00 0.14 H new ATOM 0 HZ1 LYS A 13 8.408 -8.822 -8.278 1.00 0.79 H new ATOM 0 HZ2 LYS A 13 9.723 -7.784 -8.006 1.00 0.79 H new ATOM 0 HZ3 LYS A 13 9.512 -9.160 -7.033 1.00 0.79 H new ATOM 208 N GLU A 14 9.375 -5.940 -0.469 1.00 0.06 N ATOM 209 CA GLU A 14 9.592 -6.892 0.654 1.00 0.09 C ATOM 210 C GLU A 14 8.463 -6.711 1.665 1.00 0.10 C ATOM 211 O GLU A 14 7.894 -7.665 2.163 1.00 0.18 O ATOM 212 CB GLU A 14 10.924 -6.585 1.339 1.00 0.11 C ATOM 213 CG GLU A 14 12.051 -6.718 0.322 1.00 0.26 C ATOM 214 CD GLU A 14 13.391 -6.411 0.992 1.00 0.79 C ATOM 215 OE1 GLU A 14 13.378 -5.788 2.041 1.00 2.01 O ATOM 216 OE2 GLU A 14 14.409 -6.805 0.446 1.00 0.55 O ATOM 0 H GLU A 14 10.117 -5.255 -0.616 1.00 0.06 H new ATOM 0 HA GLU A 14 9.607 -7.914 0.275 1.00 0.09 H new ATOM 0 HB2 GLU A 14 10.910 -5.577 1.754 1.00 0.11 H new ATOM 0 HB3 GLU A 14 11.086 -7.270 2.171 1.00 0.11 H new ATOM 0 HG2 GLU A 14 12.063 -7.726 -0.091 1.00 0.26 H new ATOM 0 HG3 GLU A 14 11.885 -6.034 -0.510 1.00 0.26 H new ATOM 223 N ALA A 15 8.131 -5.486 1.969 1.00 0.03 N ATOM 224 CA ALA A 15 7.037 -5.236 2.949 1.00 0.08 C ATOM 225 C ALA A 15 5.719 -5.736 2.354 1.00 0.11 C ATOM 226 O ALA A 15 4.910 -6.333 3.030 1.00 0.16 O ATOM 227 CB ALA A 15 6.949 -3.741 3.279 1.00 0.10 C ATOM 0 H ALA A 15 8.569 -4.650 1.582 1.00 0.03 H new ATOM 0 HA ALA A 15 7.243 -5.771 3.876 1.00 0.08 H new ATOM 0 HB1 ALA A 15 6.145 -3.573 3.996 1.00 0.10 H new ATOM 0 HB2 ALA A 15 7.894 -3.407 3.708 1.00 0.10 H new ATOM 0 HB3 ALA A 15 6.745 -3.179 2.368 1.00 0.10 H new ATOM 233 N PHE A 16 5.498 -5.494 1.091 1.00 0.07 N ATOM 234 CA PHE A 16 4.241 -5.944 0.437 1.00 0.08 C ATOM 235 C PHE A 16 4.187 -7.466 0.449 1.00 0.09 C ATOM 236 O PHE A 16 3.147 -8.062 0.650 1.00 0.14 O ATOM 237 CB PHE A 16 4.243 -5.425 -1.003 1.00 0.09 C ATOM 238 CG PHE A 16 2.900 -5.642 -1.660 1.00 0.07 C ATOM 239 CD1 PHE A 16 2.639 -6.839 -2.338 1.00 0.11 C ATOM 240 CD2 PHE A 16 1.928 -4.634 -1.615 1.00 0.05 C ATOM 241 CE1 PHE A 16 1.406 -7.028 -2.973 1.00 0.11 C ATOM 242 CE2 PHE A 16 0.692 -4.824 -2.245 1.00 0.04 C ATOM 243 CZ PHE A 16 0.433 -6.021 -2.926 1.00 0.07 C ATOM 0 H PHE A 16 6.145 -4.997 0.478 1.00 0.07 H new ATOM 0 HA PHE A 16 3.369 -5.560 0.967 1.00 0.08 H new ATOM 0 HB2 PHE A 16 4.488 -4.363 -1.010 1.00 0.09 H new ATOM 0 HB3 PHE A 16 5.018 -5.934 -1.576 1.00 0.09 H new ATOM 0 HD1 PHE A 16 3.389 -7.616 -2.371 1.00 0.11 H new ATOM 0 HD2 PHE A 16 2.132 -3.710 -1.094 1.00 0.05 H new ATOM 0 HE1 PHE A 16 1.205 -7.950 -3.499 1.00 0.11 H new ATOM 0 HE2 PHE A 16 -0.060 -4.050 -2.206 1.00 0.04 H new ATOM 0 HZ PHE A 16 -0.518 -6.168 -3.416 1.00 0.07 H new ATOM 253 N SER A 17 5.294 -8.101 0.201 1.00 0.20 N ATOM 254 CA SER A 17 5.309 -9.583 0.159 1.00 0.22 C ATOM 255 C SER A 17 4.968 -10.216 1.513 1.00 0.20 C ATOM 256 O SER A 17 4.418 -11.296 1.593 1.00 0.21 O ATOM 257 CB SER A 17 6.702 -10.048 -0.265 1.00 0.32 C ATOM 258 OG SER A 17 7.654 -9.591 0.685 1.00 1.06 O ATOM 0 H SER A 17 6.194 -7.654 0.025 1.00 0.20 H new ATOM 0 HA SER A 17 4.547 -9.900 -0.553 1.00 0.22 H new ATOM 0 HB2 SER A 17 6.731 -11.135 -0.333 1.00 0.32 H new ATOM 0 HB3 SER A 17 6.943 -9.660 -1.255 1.00 0.32 H new ATOM 0 HG SER A 17 7.250 -8.894 1.243 1.00 1.06 H new ATOM 264 N LEU A 18 5.313 -9.537 2.585 1.00 0.23 N ATOM 265 CA LEU A 18 5.046 -10.055 3.964 1.00 0.23 C ATOM 266 C LEU A 18 3.540 -10.268 4.174 1.00 0.18 C ATOM 267 O LEU A 18 3.140 -11.125 4.936 1.00 0.20 O ATOM 268 CB LEU A 18 5.543 -9.012 4.998 1.00 0.26 C ATOM 269 CG LEU A 18 7.000 -9.270 5.412 1.00 0.18 C ATOM 270 CD1 LEU A 18 7.521 -8.056 6.199 1.00 0.27 C ATOM 271 CD2 LEU A 18 7.085 -10.524 6.305 1.00 0.12 C ATOM 0 H LEU A 18 5.777 -8.629 2.559 1.00 0.23 H new ATOM 0 HA LEU A 18 5.566 -11.005 4.091 1.00 0.23 H new ATOM 0 HB2 LEU A 18 5.457 -8.011 4.575 1.00 0.26 H new ATOM 0 HB3 LEU A 18 4.904 -9.041 5.880 1.00 0.26 H new ATOM 0 HG LEU A 18 7.603 -9.427 4.518 1.00 0.18 H new ATOM 0 HD11 LEU A 18 8.555 -8.232 6.496 1.00 0.27 H new ATOM 0 HD12 LEU A 18 7.470 -7.166 5.571 1.00 0.27 H new ATOM 0 HD13 LEU A 18 6.908 -7.908 7.088 1.00 0.27 H new ATOM 0 HD21 LEU A 18 8.122 -10.697 6.592 1.00 0.12 H new ATOM 0 HD22 LEU A 18 6.481 -10.375 7.200 1.00 0.12 H new ATOM 0 HD23 LEU A 18 6.712 -11.388 5.755 1.00 0.12 H new ATOM 283 N PHE A 19 2.706 -9.484 3.538 1.00 0.15 N ATOM 284 CA PHE A 19 1.228 -9.631 3.743 1.00 0.11 C ATOM 285 C PHE A 19 0.605 -10.377 2.565 1.00 0.07 C ATOM 286 O PHE A 19 -0.600 -10.476 2.441 1.00 0.07 O ATOM 287 CB PHE A 19 0.617 -8.250 3.932 1.00 0.10 C ATOM 288 CG PHE A 19 1.221 -7.667 5.183 1.00 0.06 C ATOM 289 CD1 PHE A 19 2.493 -7.091 5.135 1.00 0.07 C ATOM 290 CD2 PHE A 19 0.528 -7.736 6.394 1.00 0.08 C ATOM 291 CE1 PHE A 19 3.077 -6.581 6.300 1.00 0.04 C ATOM 292 CE2 PHE A 19 1.108 -7.221 7.560 1.00 0.08 C ATOM 293 CZ PHE A 19 2.384 -6.646 7.512 1.00 0.02 C ATOM 0 H PHE A 19 2.982 -8.749 2.886 1.00 0.15 H new ATOM 0 HA PHE A 19 1.027 -10.221 4.637 1.00 0.11 H new ATOM 0 HB2 PHE A 19 0.826 -7.615 3.071 1.00 0.10 H new ATOM 0 HB3 PHE A 19 -0.467 -8.317 4.023 1.00 0.10 H new ATOM 0 HD1 PHE A 19 3.026 -7.039 4.197 1.00 0.07 H new ATOM 0 HD2 PHE A 19 -0.453 -8.186 6.431 1.00 0.08 H new ATOM 0 HE1 PHE A 19 4.061 -6.138 6.263 1.00 0.04 H new ATOM 0 HE2 PHE A 19 0.571 -7.267 8.496 1.00 0.08 H new ATOM 0 HZ PHE A 19 2.833 -6.253 8.412 1.00 0.02 H new ATOM 303 N ASP A 20 1.427 -10.973 1.746 1.00 0.06 N ATOM 304 CA ASP A 20 0.913 -11.803 0.617 1.00 0.05 C ATOM 305 C ASP A 20 1.025 -13.254 1.085 1.00 0.06 C ATOM 306 O ASP A 20 2.026 -13.912 0.881 1.00 0.09 O ATOM 307 CB ASP A 20 1.777 -11.585 -0.629 1.00 0.09 C ATOM 308 CG ASP A 20 1.181 -12.360 -1.805 1.00 0.13 C ATOM 309 OD1 ASP A 20 1.310 -13.572 -1.816 1.00 0.91 O ATOM 310 OD2 ASP A 20 0.605 -11.726 -2.674 1.00 1.13 O ATOM 0 H ASP A 20 2.444 -10.921 1.811 1.00 0.06 H new ATOM 0 HA ASP A 20 -0.113 -11.541 0.357 1.00 0.05 H new ATOM 0 HB2 ASP A 20 1.828 -10.523 -0.868 1.00 0.09 H new ATOM 0 HB3 ASP A 20 2.797 -11.918 -0.440 1.00 0.09 H new ATOM 315 N LYS A 21 0.032 -13.723 1.787 1.00 0.05 N ATOM 316 CA LYS A 21 0.088 -15.094 2.370 1.00 0.08 C ATOM 317 C LYS A 21 -0.065 -16.195 1.330 1.00 0.01 C ATOM 318 O LYS A 21 0.384 -17.302 1.553 1.00 0.02 O ATOM 319 CB LYS A 21 -1.022 -15.239 3.416 1.00 0.15 C ATOM 320 CG LYS A 21 -0.900 -14.132 4.475 1.00 0.16 C ATOM 321 CD LYS A 21 0.353 -14.353 5.337 1.00 0.20 C ATOM 322 CE LYS A 21 0.217 -13.580 6.653 1.00 0.35 C ATOM 323 NZ LYS A 21 0.127 -12.120 6.369 1.00 2.14 N ATOM 0 H LYS A 21 -0.827 -13.209 1.984 1.00 0.05 H new ATOM 0 HA LYS A 21 1.075 -15.210 2.818 1.00 0.08 H new ATOM 0 HB2 LYS A 21 -1.997 -15.184 2.932 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -0.957 -16.217 3.893 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -0.848 -13.158 3.988 1.00 0.16 H new ATOM 0 HG3 LYS A 21 -1.788 -14.125 5.107 1.00 0.16 H new ATOM 0 HD2 LYS A 21 0.484 -15.416 5.540 1.00 0.20 H new ATOM 0 HD3 LYS A 21 1.240 -14.020 4.798 1.00 0.20 H new ATOM 0 HE2 LYS A 21 -0.671 -13.911 7.191 1.00 0.35 H new ATOM 0 HE3 LYS A 21 1.073 -13.783 7.296 1.00 0.35 H new ATOM 0 HZ1 LYS A 21 0.896 -11.622 6.862 1.00 2.14 H new ATOM 0 HZ2 LYS A 21 0.211 -11.960 5.345 1.00 2.14 H new ATOM 0 HZ3 LYS A 21 -0.789 -11.757 6.702 1.00 2.14 H new ATOM 337 N ASP A 22 -0.725 -15.957 0.234 1.00 0.05 N ATOM 338 CA ASP A 22 -0.929 -17.068 -0.754 1.00 0.12 C ATOM 339 C ASP A 22 0.092 -16.984 -1.887 1.00 0.17 C ATOM 340 O ASP A 22 0.085 -17.809 -2.779 1.00 0.24 O ATOM 341 CB ASP A 22 -2.337 -16.955 -1.345 1.00 0.17 C ATOM 342 CG ASP A 22 -3.373 -17.310 -0.276 1.00 0.26 C ATOM 343 OD1 ASP A 22 -3.000 -17.945 0.696 1.00 0.97 O ATOM 344 OD2 ASP A 22 -4.523 -16.940 -0.449 1.00 0.81 O ATOM 0 H ASP A 22 -1.130 -15.057 -0.025 1.00 0.05 H new ATOM 0 HA ASP A 22 -0.803 -18.021 -0.240 1.00 0.12 H new ATOM 0 HB2 ASP A 22 -2.509 -15.942 -1.710 1.00 0.17 H new ATOM 0 HB3 ASP A 22 -2.438 -17.624 -2.200 1.00 0.17 H new ATOM 349 N GLY A 23 0.973 -16.019 -1.893 1.00 0.16 N ATOM 350 CA GLY A 23 1.966 -15.941 -3.001 1.00 0.24 C ATOM 351 C GLY A 23 1.253 -15.543 -4.295 1.00 0.27 C ATOM 352 O GLY A 23 1.625 -15.963 -5.373 1.00 0.34 O ATOM 0 H GLY A 23 1.047 -15.288 -1.185 1.00 0.16 H new ATOM 0 HA2 GLY A 23 2.740 -15.212 -2.760 1.00 0.24 H new ATOM 0 HA3 GLY A 23 2.463 -16.903 -3.127 1.00 0.24 H new ATOM 356 N ASP A 24 0.231 -14.727 -4.197 1.00 0.23 N ATOM 357 CA ASP A 24 -0.513 -14.286 -5.406 1.00 0.28 C ATOM 358 C ASP A 24 -0.063 -12.873 -5.818 1.00 0.25 C ATOM 359 O ASP A 24 -0.460 -12.363 -6.846 1.00 0.30 O ATOM 360 CB ASP A 24 -2.014 -14.311 -5.106 1.00 0.31 C ATOM 361 CG ASP A 24 -2.256 -13.942 -3.641 1.00 0.54 C ATOM 362 OD1 ASP A 24 -1.383 -13.325 -3.052 1.00 0.49 O ATOM 363 OD2 ASP A 24 -3.314 -14.279 -3.133 1.00 1.66 O ATOM 0 H ASP A 24 -0.119 -14.347 -3.318 1.00 0.23 H new ATOM 0 HA ASP A 24 -0.303 -14.962 -6.235 1.00 0.28 H new ATOM 0 HB2 ASP A 24 -2.536 -13.611 -5.758 1.00 0.31 H new ATOM 0 HB3 ASP A 24 -2.419 -15.302 -5.313 1.00 0.31 H new ATOM 368 N GLY A 25 0.778 -12.250 -5.034 1.00 0.17 N ATOM 369 CA GLY A 25 1.270 -10.888 -5.395 1.00 0.13 C ATOM 370 C GLY A 25 0.224 -9.819 -5.053 1.00 0.11 C ATOM 371 O GLY A 25 0.293 -8.707 -5.540 1.00 0.09 O ATOM 0 H GLY A 25 1.145 -12.626 -4.160 1.00 0.17 H new ATOM 0 HA2 GLY A 25 2.197 -10.679 -4.862 1.00 0.13 H new ATOM 0 HA3 GLY A 25 1.499 -10.850 -6.460 1.00 0.13 H new ATOM 375 N THR A 26 -0.753 -10.143 -4.233 1.00 0.12 N ATOM 376 CA THR A 26 -1.812 -9.140 -3.876 1.00 0.10 C ATOM 377 C THR A 26 -2.058 -9.130 -2.370 1.00 0.09 C ATOM 378 O THR A 26 -1.809 -10.094 -1.674 1.00 0.09 O ATOM 379 CB THR A 26 -3.120 -9.493 -4.588 1.00 0.13 C ATOM 380 OG1 THR A 26 -3.561 -10.773 -4.156 1.00 0.16 O ATOM 381 CG2 THR A 26 -2.893 -9.510 -6.101 1.00 0.13 C ATOM 0 H THR A 26 -0.862 -11.058 -3.796 1.00 0.12 H new ATOM 0 HA THR A 26 -1.469 -8.154 -4.190 1.00 0.10 H new ATOM 0 HB THR A 26 -3.878 -8.748 -4.348 1.00 0.13 H new ATOM 0 HG1 THR A 26 -4.400 -11.000 -4.609 1.00 0.16 H new ATOM 0 HG21 THR A 26 -3.826 -9.762 -6.606 1.00 0.13 H new ATOM 0 HG22 THR A 26 -2.556 -8.527 -6.429 1.00 0.13 H new ATOM 0 HG23 THR A 26 -2.135 -10.254 -6.347 1.00 0.13 H new ATOM 389 N ILE A 27 -2.573 -8.035 -1.877 1.00 0.08 N ATOM 390 CA ILE A 27 -2.882 -7.916 -0.421 1.00 0.06 C ATOM 391 C ILE A 27 -4.294 -7.350 -0.291 1.00 0.08 C ATOM 392 O ILE A 27 -4.790 -6.700 -1.190 1.00 0.11 O ATOM 393 CB ILE A 27 -1.875 -6.977 0.266 1.00 0.06 C ATOM 394 CG1 ILE A 27 -1.930 -5.579 -0.368 1.00 0.06 C ATOM 395 CG2 ILE A 27 -0.462 -7.551 0.123 1.00 0.07 C ATOM 396 CD1 ILE A 27 -0.972 -4.641 0.370 1.00 0.07 C ATOM 0 H ILE A 27 -2.796 -7.207 -2.429 1.00 0.08 H new ATOM 0 HA ILE A 27 -2.813 -8.892 0.059 1.00 0.06 H new ATOM 0 HB ILE A 27 -2.132 -6.894 1.322 1.00 0.06 H new ATOM 0 HG12 ILE A 27 -1.659 -5.636 -1.422 1.00 0.06 H new ATOM 0 HG13 ILE A 27 -2.946 -5.187 -0.321 1.00 0.06 H new ATOM 0 HG21 ILE A 27 0.252 -6.886 0.609 1.00 0.07 H new ATOM 0 HG22 ILE A 27 -0.420 -8.534 0.591 1.00 0.07 H new ATOM 0 HG23 ILE A 27 -0.211 -7.642 -0.934 1.00 0.07 H new ATOM 0 HD11 ILE A 27 -1.013 -3.650 -0.082 1.00 0.07 H new ATOM 0 HD12 ILE A 27 -1.264 -4.574 1.418 1.00 0.07 H new ATOM 0 HD13 ILE A 27 0.044 -5.030 0.300 1.00 0.07 H new ATOM 408 N THR A 28 -4.957 -7.593 0.802 1.00 0.08 N ATOM 409 CA THR A 28 -6.342 -7.064 0.950 1.00 0.09 C ATOM 410 C THR A 28 -6.311 -5.612 1.425 1.00 0.06 C ATOM 411 O THR A 28 -5.320 -5.133 1.939 1.00 0.02 O ATOM 412 CB THR A 28 -7.106 -7.892 1.984 1.00 0.11 C ATOM 413 OG1 THR A 28 -6.798 -7.409 3.287 1.00 0.09 O ATOM 414 CG2 THR A 28 -6.709 -9.368 1.874 1.00 0.12 C ATOM 0 H THR A 28 -4.605 -8.130 1.594 1.00 0.08 H new ATOM 0 HA THR A 28 -6.834 -7.123 -0.021 1.00 0.09 H new ATOM 0 HB THR A 28 -8.177 -7.802 1.800 1.00 0.11 H new ATOM 0 HG1 THR A 28 -7.286 -7.935 3.955 1.00 0.09 H new ATOM 0 HG21 THR A 28 -7.259 -9.949 2.615 1.00 0.12 H new ATOM 0 HG22 THR A 28 -6.947 -9.735 0.876 1.00 0.12 H new ATOM 0 HG23 THR A 28 -5.639 -9.471 2.053 1.00 0.12 H new ATOM 422 N THR A 29 -7.402 -4.915 1.263 1.00 0.08 N ATOM 423 CA THR A 29 -7.476 -3.498 1.707 1.00 0.06 C ATOM 424 C THR A 29 -7.327 -3.404 3.230 1.00 0.07 C ATOM 425 O THR A 29 -6.780 -2.452 3.750 1.00 0.06 O ATOM 426 CB THR A 29 -8.832 -2.917 1.292 1.00 0.07 C ATOM 427 OG1 THR A 29 -9.864 -3.832 1.634 1.00 0.08 O ATOM 428 CG2 THR A 29 -8.844 -2.670 -0.218 1.00 0.07 C ATOM 0 H THR A 29 -8.256 -5.274 0.836 1.00 0.08 H new ATOM 0 HA THR A 29 -6.666 -2.936 1.242 1.00 0.06 H new ATOM 0 HB THR A 29 -8.997 -1.974 1.812 1.00 0.07 H new ATOM 0 HG1 THR A 29 -10.732 -3.460 1.370 1.00 0.08 H new ATOM 0 HG21 THR A 29 -9.809 -2.257 -0.511 1.00 0.07 H new ATOM 0 HG22 THR A 29 -8.054 -1.966 -0.478 1.00 0.07 H new ATOM 0 HG23 THR A 29 -8.678 -3.611 -0.742 1.00 0.07 H new ATOM 436 N LYS A 30 -7.826 -4.371 3.948 1.00 0.10 N ATOM 437 CA LYS A 30 -7.738 -4.334 5.438 1.00 0.13 C ATOM 438 C LYS A 30 -6.280 -4.428 5.905 1.00 0.11 C ATOM 439 O LYS A 30 -5.963 -4.065 7.021 1.00 0.14 O ATOM 440 CB LYS A 30 -8.527 -5.515 6.003 1.00 0.17 C ATOM 441 CG LYS A 30 -10.012 -5.331 5.682 1.00 0.26 C ATOM 442 CD LYS A 30 -10.822 -6.484 6.287 1.00 0.39 C ATOM 443 CE LYS A 30 -10.471 -7.807 5.590 1.00 1.87 C ATOM 444 NZ LYS A 30 -11.591 -8.773 5.772 1.00 3.55 N ATOM 0 H LYS A 30 -8.295 -5.192 3.565 1.00 0.10 H new ATOM 0 HA LYS A 30 -8.151 -3.390 5.794 1.00 0.13 H new ATOM 0 HB2 LYS A 30 -8.163 -6.449 5.574 1.00 0.17 H new ATOM 0 HB3 LYS A 30 -8.382 -5.582 7.081 1.00 0.17 H new ATOM 0 HG2 LYS A 30 -10.364 -4.379 6.080 1.00 0.26 H new ATOM 0 HG3 LYS A 30 -10.159 -5.299 4.602 1.00 0.26 H new ATOM 0 HD2 LYS A 30 -10.615 -6.562 7.354 1.00 0.39 H new ATOM 0 HD3 LYS A 30 -11.888 -6.282 6.183 1.00 0.39 H new ATOM 0 HE2 LYS A 30 -10.292 -7.636 4.528 1.00 1.87 H new ATOM 0 HE3 LYS A 30 -9.551 -8.217 6.006 1.00 1.87 H new ATOM 0 HZ1 LYS A 30 -11.356 -9.670 5.301 1.00 3.55 H new ATOM 0 HZ2 LYS A 30 -11.741 -8.944 6.787 1.00 3.55 H new ATOM 0 HZ3 LYS A 30 -12.459 -8.380 5.355 1.00 3.55 H new ATOM 458 N GLU A 31 -5.391 -4.944 5.089 1.00 0.07 N ATOM 459 CA GLU A 31 -3.965 -5.091 5.536 1.00 0.08 C ATOM 460 C GLU A 31 -3.133 -3.918 5.006 1.00 0.08 C ATOM 461 O GLU A 31 -1.949 -3.823 5.262 1.00 0.17 O ATOM 462 CB GLU A 31 -3.393 -6.396 4.984 1.00 0.07 C ATOM 463 CG GLU A 31 -4.192 -7.582 5.532 1.00 0.10 C ATOM 464 CD GLU A 31 -3.828 -8.850 4.755 1.00 0.08 C ATOM 465 OE1 GLU A 31 -3.338 -8.722 3.645 1.00 0.25 O ATOM 466 OE2 GLU A 31 -4.047 -9.928 5.284 1.00 0.22 O ATOM 0 H GLU A 31 -5.586 -5.267 4.142 1.00 0.07 H new ATOM 0 HA GLU A 31 -3.930 -5.101 6.625 1.00 0.08 H new ATOM 0 HB2 GLU A 31 -3.433 -6.390 3.895 1.00 0.07 H new ATOM 0 HB3 GLU A 31 -2.344 -6.492 5.264 1.00 0.07 H new ATOM 0 HG2 GLU A 31 -3.978 -7.719 6.592 1.00 0.10 H new ATOM 0 HG3 GLU A 31 -5.260 -7.385 5.446 1.00 0.10 H new ATOM 473 N LEU A 32 -3.738 -3.027 4.271 1.00 0.08 N ATOM 474 CA LEU A 32 -2.973 -1.867 3.729 1.00 0.06 C ATOM 475 C LEU A 32 -2.406 -1.036 4.887 1.00 0.07 C ATOM 476 O LEU A 32 -1.228 -0.740 4.933 1.00 0.06 O ATOM 477 CB LEU A 32 -3.915 -1.018 2.856 1.00 0.05 C ATOM 478 CG LEU A 32 -3.282 0.338 2.522 1.00 0.03 C ATOM 479 CD1 LEU A 32 -1.908 0.122 1.897 1.00 0.03 C ATOM 480 CD2 LEU A 32 -4.180 1.086 1.531 1.00 0.02 C ATOM 0 H LEU A 32 -4.727 -3.051 4.022 1.00 0.08 H new ATOM 0 HA LEU A 32 -2.139 -2.215 3.120 1.00 0.06 H new ATOM 0 HB2 LEU A 32 -4.144 -1.553 1.934 1.00 0.05 H new ATOM 0 HB3 LEU A 32 -4.860 -0.864 3.378 1.00 0.05 H new ATOM 0 HG LEU A 32 -3.176 0.924 3.435 1.00 0.03 H new ATOM 0 HD11 LEU A 32 -1.460 1.087 1.660 1.00 0.03 H new ATOM 0 HD12 LEU A 32 -1.269 -0.412 2.600 1.00 0.03 H new ATOM 0 HD13 LEU A 32 -2.012 -0.463 0.983 1.00 0.03 H new ATOM 0 HD21 LEU A 32 -3.733 2.051 1.291 1.00 0.02 H new ATOM 0 HD22 LEU A 32 -4.284 0.498 0.619 1.00 0.02 H new ATOM 0 HD23 LEU A 32 -5.162 1.242 1.977 1.00 0.02 H new ATOM 492 N GLY A 33 -3.233 -0.660 5.825 1.00 0.07 N ATOM 493 CA GLY A 33 -2.740 0.148 6.975 1.00 0.08 C ATOM 494 C GLY A 33 -1.552 -0.551 7.645 1.00 0.07 C ATOM 495 O GLY A 33 -0.544 0.064 7.932 1.00 0.08 O ATOM 0 H GLY A 33 -4.229 -0.878 5.844 1.00 0.07 H new ATOM 0 HA2 GLY A 33 -2.441 1.138 6.631 1.00 0.08 H new ATOM 0 HA3 GLY A 33 -3.542 0.290 7.699 1.00 0.08 H new ATOM 499 N THR A 34 -1.663 -1.823 7.915 1.00 0.07 N ATOM 500 CA THR A 34 -0.535 -2.536 8.587 1.00 0.07 C ATOM 501 C THR A 34 0.726 -2.461 7.718 1.00 0.06 C ATOM 502 O THR A 34 1.808 -2.210 8.210 1.00 0.06 O ATOM 503 CB THR A 34 -0.910 -3.999 8.826 1.00 0.09 C ATOM 504 OG1 THR A 34 -2.134 -4.061 9.546 1.00 0.14 O ATOM 505 CG2 THR A 34 0.195 -4.685 9.629 1.00 0.07 C ATOM 0 H THR A 34 -2.479 -2.397 7.702 1.00 0.07 H new ATOM 0 HA THR A 34 -0.337 -2.056 9.545 1.00 0.07 H new ATOM 0 HB THR A 34 -1.027 -4.507 7.869 1.00 0.09 H new ATOM 0 HG1 THR A 34 -2.377 -4.998 9.699 1.00 0.14 H new ATOM 0 HG21 THR A 34 -0.073 -5.728 9.799 1.00 0.07 H new ATOM 0 HG22 THR A 34 1.132 -4.637 9.074 1.00 0.07 H new ATOM 0 HG23 THR A 34 0.315 -4.180 10.588 1.00 0.07 H new ATOM 513 N VAL A 35 0.604 -2.653 6.429 1.00 0.06 N ATOM 514 CA VAL A 35 1.814 -2.563 5.558 1.00 0.07 C ATOM 515 C VAL A 35 2.381 -1.144 5.694 1.00 0.05 C ATOM 516 O VAL A 35 3.574 -0.940 5.793 1.00 0.10 O ATOM 517 CB VAL A 35 1.429 -2.828 4.096 1.00 0.11 C ATOM 518 CG1 VAL A 35 2.611 -2.494 3.181 1.00 0.09 C ATOM 519 CG2 VAL A 35 1.049 -4.302 3.915 1.00 0.16 C ATOM 0 H VAL A 35 -0.269 -2.866 5.947 1.00 0.06 H new ATOM 0 HA VAL A 35 2.554 -3.304 5.859 1.00 0.07 H new ATOM 0 HB VAL A 35 0.577 -2.200 3.835 1.00 0.11 H new ATOM 0 HG11 VAL A 35 2.333 -2.684 2.144 1.00 0.09 H new ATOM 0 HG12 VAL A 35 2.877 -1.444 3.299 1.00 0.09 H new ATOM 0 HG13 VAL A 35 3.465 -3.117 3.448 1.00 0.09 H new ATOM 0 HG21 VAL A 35 0.777 -4.483 2.875 1.00 0.16 H new ATOM 0 HG22 VAL A 35 1.897 -4.932 4.183 1.00 0.16 H new ATOM 0 HG23 VAL A 35 0.202 -4.541 4.558 1.00 0.16 H new ATOM 529 N MET A 36 1.514 -0.164 5.710 1.00 0.09 N ATOM 530 CA MET A 36 1.967 1.251 5.851 1.00 0.06 C ATOM 531 C MET A 36 2.700 1.432 7.190 1.00 0.04 C ATOM 532 O MET A 36 3.772 1.999 7.254 1.00 0.08 O ATOM 533 CB MET A 36 0.747 2.179 5.788 1.00 0.05 C ATOM 534 CG MET A 36 0.302 2.362 4.331 1.00 0.14 C ATOM 535 SD MET A 36 1.312 3.645 3.550 1.00 1.20 S ATOM 536 CE MET A 36 0.763 3.367 1.849 1.00 0.40 C ATOM 0 H MET A 36 0.504 -0.285 5.631 1.00 0.09 H new ATOM 0 HA MET A 36 2.652 1.499 5.041 1.00 0.06 H new ATOM 0 HB2 MET A 36 -0.069 1.760 6.376 1.00 0.05 H new ATOM 0 HB3 MET A 36 0.992 3.146 6.226 1.00 0.05 H new ATOM 0 HG2 MET A 36 0.404 1.423 3.787 1.00 0.14 H new ATOM 0 HG3 MET A 36 -0.751 2.640 4.293 1.00 0.14 H new ATOM 0 HE1 MET A 36 1.271 4.066 1.184 1.00 0.40 H new ATOM 0 HE2 MET A 36 1.001 2.346 1.552 1.00 0.40 H new ATOM 0 HE3 MET A 36 -0.314 3.522 1.784 1.00 0.40 H new ATOM 546 N ARG A 37 2.124 0.932 8.258 1.00 0.09 N ATOM 547 CA ARG A 37 2.770 1.046 9.604 1.00 0.12 C ATOM 548 C ARG A 37 4.137 0.355 9.576 1.00 0.08 C ATOM 549 O ARG A 37 5.100 0.846 10.131 1.00 0.09 O ATOM 550 CB ARG A 37 1.882 0.354 10.642 1.00 0.23 C ATOM 551 CG ARG A 37 0.610 1.177 10.856 1.00 0.27 C ATOM 552 CD ARG A 37 -0.280 0.482 11.888 1.00 0.86 C ATOM 553 NE ARG A 37 0.453 0.373 13.182 1.00 0.40 N ATOM 554 CZ ARG A 37 -0.193 0.088 14.281 1.00 0.76 C ATOM 555 NH1 ARG A 37 -1.486 -0.092 14.252 1.00 0.69 N ATOM 556 NH2 ARG A 37 0.454 -0.016 15.410 1.00 1.54 N ATOM 0 H ARG A 37 1.227 0.446 8.254 1.00 0.09 H new ATOM 0 HA ARG A 37 2.898 2.098 9.861 1.00 0.12 H new ATOM 0 HB2 ARG A 37 1.626 -0.650 10.305 1.00 0.23 H new ATOM 0 HB3 ARG A 37 2.421 0.246 11.583 1.00 0.23 H new ATOM 0 HG2 ARG A 37 0.866 2.180 11.198 1.00 0.27 H new ATOM 0 HG3 ARG A 37 0.074 1.289 9.914 1.00 0.27 H new ATOM 0 HD2 ARG A 37 -1.203 1.045 12.027 1.00 0.86 H new ATOM 0 HD3 ARG A 37 -0.562 -0.509 11.533 1.00 0.86 H new ATOM 0 HE ARG A 37 1.462 0.521 13.209 1.00 0.40 H new ATOM 0 HH11 ARG A 37 -1.993 -0.010 13.371 1.00 0.69 H new ATOM 0 HH12 ARG A 37 -1.989 -0.315 15.111 1.00 0.69 H new ATOM 0 HH21 ARG A 37 1.464 0.125 15.434 1.00 1.54 H new ATOM 0 HH22 ARG A 37 -0.050 -0.239 16.268 1.00 1.54 H new ATOM 570 N SER A 38 4.237 -0.770 8.916 1.00 0.08 N ATOM 571 CA SER A 38 5.552 -1.471 8.837 1.00 0.10 C ATOM 572 C SER A 38 6.499 -0.638 7.962 1.00 0.10 C ATOM 573 O SER A 38 7.705 -0.746 8.072 1.00 0.13 O ATOM 574 CB SER A 38 5.370 -2.866 8.239 1.00 0.16 C ATOM 575 OG SER A 38 5.059 -2.747 6.857 1.00 0.13 O ATOM 0 H SER A 38 3.468 -1.232 8.430 1.00 0.08 H new ATOM 0 HA SER A 38 5.974 -1.581 9.836 1.00 0.10 H new ATOM 0 HB2 SER A 38 6.280 -3.452 8.370 1.00 0.16 H new ATOM 0 HB3 SER A 38 4.572 -3.396 8.759 1.00 0.16 H new ATOM 0 HG SER A 38 4.448 -1.993 6.723 1.00 0.13 H new ATOM 581 N LEU A 39 5.976 0.188 7.091 1.00 0.10 N ATOM 582 CA LEU A 39 6.871 1.008 6.219 1.00 0.16 C ATOM 583 C LEU A 39 7.298 2.291 6.948 1.00 0.14 C ATOM 584 O LEU A 39 8.145 3.023 6.475 1.00 0.18 O ATOM 585 CB LEU A 39 6.143 1.376 4.923 1.00 0.22 C ATOM 586 CG LEU A 39 6.029 0.146 4.009 1.00 0.26 C ATOM 587 CD1 LEU A 39 5.145 0.500 2.810 1.00 0.27 C ATOM 588 CD2 LEU A 39 7.426 -0.296 3.514 1.00 0.25 C ATOM 0 H LEU A 39 4.976 0.329 6.947 1.00 0.10 H new ATOM 0 HA LEU A 39 7.758 0.421 5.983 1.00 0.16 H new ATOM 0 HB2 LEU A 39 5.149 1.761 5.152 1.00 0.22 H new ATOM 0 HB3 LEU A 39 6.682 2.172 4.408 1.00 0.22 H new ATOM 0 HG LEU A 39 5.587 -0.677 4.570 1.00 0.26 H new ATOM 0 HD11 LEU A 39 5.057 -0.366 2.154 1.00 0.27 H new ATOM 0 HD12 LEU A 39 4.155 0.791 3.161 1.00 0.27 H new ATOM 0 HD13 LEU A 39 5.593 1.328 2.260 1.00 0.27 H new ATOM 0 HD21 LEU A 39 7.324 -1.168 2.868 1.00 0.25 H new ATOM 0 HD22 LEU A 39 7.888 0.518 2.955 1.00 0.25 H new ATOM 0 HD23 LEU A 39 8.052 -0.549 4.370 1.00 0.25 H new ATOM 600 N GLY A 40 6.742 2.562 8.107 1.00 0.09 N ATOM 601 CA GLY A 40 7.143 3.788 8.879 1.00 0.12 C ATOM 602 C GLY A 40 6.150 4.937 8.659 1.00 0.20 C ATOM 603 O GLY A 40 6.540 6.087 8.620 1.00 0.23 O ATOM 0 H GLY A 40 6.027 1.988 8.553 1.00 0.09 H new ATOM 0 HA2 GLY A 40 7.197 3.550 9.941 1.00 0.12 H new ATOM 0 HA3 GLY A 40 8.140 4.103 8.572 1.00 0.12 H new ATOM 607 N GLN A 41 4.878 4.650 8.530 1.00 0.21 N ATOM 608 CA GLN A 41 3.865 5.740 8.329 1.00 0.28 C ATOM 609 C GLN A 41 2.775 5.598 9.395 1.00 0.28 C ATOM 610 O GLN A 41 2.498 4.511 9.861 1.00 0.24 O ATOM 611 CB GLN A 41 3.238 5.591 6.941 1.00 0.29 C ATOM 612 CG GLN A 41 4.330 5.706 5.875 1.00 0.36 C ATOM 613 CD GLN A 41 4.849 7.144 5.830 1.00 0.90 C ATOM 614 OE1 GLN A 41 4.152 8.040 5.398 1.00 1.65 O ATOM 615 NE2 GLN A 41 6.053 7.405 6.263 1.00 1.77 N ATOM 0 H GLN A 41 4.494 3.706 8.555 1.00 0.21 H new ATOM 0 HA GLN A 41 4.342 6.717 8.411 1.00 0.28 H new ATOM 0 HB2 GLN A 41 2.734 4.628 6.859 1.00 0.29 H new ATOM 0 HB3 GLN A 41 2.482 6.361 6.787 1.00 0.29 H new ATOM 0 HG2 GLN A 41 5.147 5.020 6.100 1.00 0.36 H new ATOM 0 HG3 GLN A 41 3.934 5.420 4.901 1.00 0.36 H new ATOM 0 HE21 GLN A 41 6.639 6.653 6.626 1.00 1.77 H new ATOM 0 HE22 GLN A 41 6.408 8.361 6.238 1.00 1.77 H new ATOM 624 N ASN A 42 2.165 6.684 9.806 1.00 0.33 N ATOM 625 CA ASN A 42 1.112 6.649 10.855 1.00 0.33 C ATOM 626 C ASN A 42 -0.138 7.353 10.309 1.00 0.35 C ATOM 627 O ASN A 42 -0.368 8.515 10.581 1.00 0.40 O ATOM 628 CB ASN A 42 1.639 7.405 12.080 1.00 0.39 C ATOM 629 CG ASN A 42 2.552 8.549 11.631 1.00 0.41 C ATOM 630 OD1 ASN A 42 3.761 8.422 11.657 1.00 1.24 O ATOM 631 ND2 ASN A 42 2.022 9.666 11.216 1.00 1.44 N ATOM 0 H ASN A 42 2.363 7.617 9.444 1.00 0.33 H new ATOM 0 HA ASN A 42 0.862 5.624 11.130 1.00 0.33 H new ATOM 0 HB2 ASN A 42 0.806 7.800 12.661 1.00 0.39 H new ATOM 0 HB3 ASN A 42 2.187 6.724 12.731 1.00 0.39 H new ATOM 0 HD21 ASN A 42 2.622 10.433 10.913 1.00 1.44 H new ATOM 0 HD22 ASN A 42 1.008 9.772 11.194 1.00 1.44 H new ATOM 638 N PRO A 43 -0.924 6.663 9.528 1.00 0.32 N ATOM 639 CA PRO A 43 -2.151 7.237 8.911 1.00 0.34 C ATOM 640 C PRO A 43 -3.372 7.202 9.840 1.00 0.33 C ATOM 641 O PRO A 43 -3.511 6.312 10.656 1.00 0.34 O ATOM 642 CB PRO A 43 -2.367 6.323 7.698 1.00 0.33 C ATOM 643 CG PRO A 43 -1.874 4.983 8.143 1.00 0.28 C ATOM 644 CD PRO A 43 -0.735 5.251 9.139 1.00 0.27 C ATOM 0 HA PRO A 43 -2.033 8.293 8.670 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -3.418 6.284 7.413 1.00 0.33 H new ATOM 0 HB3 PRO A 43 -1.814 6.680 6.829 1.00 0.33 H new ATOM 0 HG2 PRO A 43 -2.674 4.411 8.612 1.00 0.28 H new ATOM 0 HG3 PRO A 43 -1.519 4.398 7.295 1.00 0.28 H new ATOM 0 HD2 PRO A 43 -0.795 4.588 10.002 1.00 0.27 H new ATOM 0 HD3 PRO A 43 0.241 5.090 8.681 1.00 0.27 H new ATOM 652 N THR A 44 -4.270 8.148 9.717 1.00 0.33 N ATOM 653 CA THR A 44 -5.477 8.127 10.591 1.00 0.32 C ATOM 654 C THR A 44 -6.509 7.183 9.980 1.00 0.32 C ATOM 655 O THR A 44 -6.357 6.720 8.866 1.00 0.33 O ATOM 656 CB THR A 44 -6.084 9.524 10.715 1.00 0.31 C ATOM 657 OG1 THR A 44 -6.304 10.060 9.423 1.00 0.31 O ATOM 658 CG2 THR A 44 -5.132 10.435 11.494 1.00 0.38 C ATOM 0 H THR A 44 -4.219 8.924 9.057 1.00 0.33 H new ATOM 0 HA THR A 44 -5.188 7.787 11.585 1.00 0.32 H new ATOM 0 HB THR A 44 -7.033 9.459 11.247 1.00 0.31 H new ATOM 0 HG1 THR A 44 -6.695 10.955 9.502 1.00 0.31 H new ATOM 0 HG21 THR A 44 -5.569 11.430 11.580 1.00 0.38 H new ATOM 0 HG22 THR A 44 -4.968 10.024 12.490 1.00 0.38 H new ATOM 0 HG23 THR A 44 -4.180 10.501 10.968 1.00 0.38 H new ATOM 666 N GLU A 45 -7.548 6.876 10.702 1.00 0.32 N ATOM 667 CA GLU A 45 -8.574 5.942 10.166 1.00 0.32 C ATOM 668 C GLU A 45 -9.268 6.559 8.946 1.00 0.25 C ATOM 669 O GLU A 45 -9.476 5.900 7.946 1.00 0.23 O ATOM 670 CB GLU A 45 -9.600 5.653 11.260 1.00 0.35 C ATOM 671 CG GLU A 45 -8.993 4.706 12.300 1.00 0.51 C ATOM 672 CD GLU A 45 -8.821 3.316 11.686 1.00 0.44 C ATOM 673 OE1 GLU A 45 -9.472 3.045 10.691 1.00 1.56 O ATOM 674 OE2 GLU A 45 -8.042 2.545 12.222 1.00 1.20 O ATOM 0 H GLU A 45 -7.731 7.231 11.640 1.00 0.32 H new ATOM 0 HA GLU A 45 -8.094 5.014 9.856 1.00 0.32 H new ATOM 0 HB2 GLU A 45 -9.909 6.583 11.737 1.00 0.35 H new ATOM 0 HB3 GLU A 45 -10.494 5.206 10.825 1.00 0.35 H new ATOM 0 HG2 GLU A 45 -8.029 5.088 12.637 1.00 0.51 H new ATOM 0 HG3 GLU A 45 -9.638 4.650 13.177 1.00 0.51 H new ATOM 681 N ALA A 46 -9.633 7.810 9.013 1.00 0.22 N ATOM 682 CA ALA A 46 -10.315 8.445 7.849 1.00 0.16 C ATOM 683 C ALA A 46 -9.375 8.452 6.639 1.00 0.18 C ATOM 684 O ALA A 46 -9.794 8.226 5.522 1.00 0.17 O ATOM 685 CB ALA A 46 -10.720 9.879 8.206 1.00 0.12 C ATOM 0 H ALA A 46 -9.490 8.418 9.819 1.00 0.22 H new ATOM 0 HA ALA A 46 -11.210 7.874 7.601 1.00 0.16 H new ATOM 0 HB1 ALA A 46 -11.218 10.340 7.353 1.00 0.12 H new ATOM 0 HB2 ALA A 46 -11.400 9.864 9.058 1.00 0.12 H new ATOM 0 HB3 ALA A 46 -9.831 10.455 8.462 1.00 0.12 H new ATOM 691 N GLU A 47 -8.104 8.685 6.844 1.00 0.22 N ATOM 692 CA GLU A 47 -7.165 8.671 5.685 1.00 0.27 C ATOM 693 C GLU A 47 -7.084 7.245 5.152 1.00 0.29 C ATOM 694 O GLU A 47 -7.001 7.026 3.964 1.00 0.32 O ATOM 695 CB GLU A 47 -5.768 9.118 6.115 1.00 0.32 C ATOM 696 CG GLU A 47 -5.777 10.610 6.443 1.00 0.32 C ATOM 697 CD GLU A 47 -4.375 11.051 6.870 1.00 0.59 C ATOM 698 OE1 GLU A 47 -3.540 10.185 7.077 1.00 0.97 O ATOM 699 OE2 GLU A 47 -4.160 12.246 6.982 1.00 0.46 O ATOM 0 H GLU A 47 -7.681 8.882 7.751 1.00 0.22 H new ATOM 0 HA GLU A 47 -7.530 9.356 4.919 1.00 0.27 H new ATOM 0 HB2 GLU A 47 -5.446 8.547 6.986 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -5.051 8.916 5.319 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -6.100 11.182 5.573 1.00 0.32 H new ATOM 0 HG3 GLU A 47 -6.492 10.813 7.241 1.00 0.32 H new ATOM 706 N LEU A 48 -7.120 6.264 6.018 1.00 0.30 N ATOM 707 CA LEU A 48 -7.057 4.855 5.541 1.00 0.33 C ATOM 708 C LEU A 48 -8.327 4.541 4.754 1.00 0.29 C ATOM 709 O LEU A 48 -8.279 3.927 3.714 1.00 0.31 O ATOM 710 CB LEU A 48 -6.951 3.888 6.726 1.00 0.36 C ATOM 711 CG LEU A 48 -5.558 3.956 7.369 1.00 0.35 C ATOM 712 CD1 LEU A 48 -5.576 3.148 8.671 1.00 0.49 C ATOM 713 CD2 LEU A 48 -4.491 3.369 6.423 1.00 0.65 C ATOM 0 H LEU A 48 -7.190 6.380 7.029 1.00 0.30 H new ATOM 0 HA LEU A 48 -6.177 4.735 4.909 1.00 0.33 H new ATOM 0 HB2 LEU A 48 -7.711 4.133 7.469 1.00 0.36 H new ATOM 0 HB3 LEU A 48 -7.151 2.871 6.389 1.00 0.36 H new ATOM 0 HG LEU A 48 -5.310 4.998 7.569 1.00 0.35 H new ATOM 0 HD11 LEU A 48 -4.592 3.188 9.138 1.00 0.49 H new ATOM 0 HD12 LEU A 48 -6.317 3.569 9.350 1.00 0.49 H new ATOM 0 HD13 LEU A 48 -5.832 2.111 8.452 1.00 0.49 H new ATOM 0 HD21 LEU A 48 -3.512 3.427 6.898 1.00 0.65 H new ATOM 0 HD22 LEU A 48 -4.729 2.327 6.208 1.00 0.65 H new ATOM 0 HD23 LEU A 48 -4.477 3.937 5.493 1.00 0.65 H new ATOM 725 N GLN A 49 -9.467 4.943 5.242 1.00 0.24 N ATOM 726 CA GLN A 49 -10.726 4.628 4.515 1.00 0.18 C ATOM 727 C GLN A 49 -10.731 5.287 3.135 1.00 0.18 C ATOM 728 O GLN A 49 -11.187 4.713 2.164 1.00 0.16 O ATOM 729 CB GLN A 49 -11.935 5.115 5.322 1.00 0.15 C ATOM 730 CG GLN A 49 -12.171 4.189 6.519 1.00 0.17 C ATOM 731 CD GLN A 49 -13.494 4.552 7.192 1.00 1.05 C ATOM 732 OE1 GLN A 49 -13.741 5.702 7.495 1.00 1.40 O ATOM 733 NE2 GLN A 49 -14.361 3.610 7.438 1.00 2.25 N ATOM 0 H GLN A 49 -9.581 5.472 6.107 1.00 0.24 H new ATOM 0 HA GLN A 49 -10.787 3.547 4.388 1.00 0.18 H new ATOM 0 HB2 GLN A 49 -11.765 6.135 5.668 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -12.821 5.137 4.688 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -12.191 3.150 6.190 1.00 0.17 H new ATOM 0 HG3 GLN A 49 -11.351 4.282 7.231 1.00 0.17 H new ATOM 0 HE21 GLN A 49 -14.152 2.645 7.183 1.00 2.25 H new ATOM 0 HE22 GLN A 49 -15.249 3.838 7.886 1.00 2.25 H new ATOM 742 N ASP A 50 -10.244 6.495 3.040 1.00 0.21 N ATOM 743 CA ASP A 50 -10.239 7.191 1.725 1.00 0.23 C ATOM 744 C ASP A 50 -9.295 6.437 0.789 1.00 0.26 C ATOM 745 O ASP A 50 -9.587 6.234 -0.374 1.00 0.27 O ATOM 746 CB ASP A 50 -9.765 8.639 1.902 1.00 0.25 C ATOM 747 CG ASP A 50 -10.845 9.446 2.626 1.00 0.95 C ATOM 748 OD1 ASP A 50 -11.981 9.000 2.639 1.00 1.54 O ATOM 749 OD2 ASP A 50 -10.519 10.497 3.154 1.00 1.73 O ATOM 0 H ASP A 50 -9.850 7.028 3.816 1.00 0.21 H new ATOM 0 HA ASP A 50 -11.244 7.210 1.304 1.00 0.23 H new ATOM 0 HB2 ASP A 50 -8.836 8.661 2.472 1.00 0.25 H new ATOM 0 HB3 ASP A 50 -9.553 9.085 0.930 1.00 0.25 H new ATOM 754 N MET A 51 -8.171 6.012 1.292 1.00 0.31 N ATOM 755 CA MET A 51 -7.213 5.257 0.443 1.00 0.34 C ATOM 756 C MET A 51 -7.887 3.955 0.012 1.00 0.30 C ATOM 757 O MET A 51 -7.704 3.484 -1.094 1.00 0.33 O ATOM 758 CB MET A 51 -5.951 4.957 1.252 1.00 0.40 C ATOM 759 CG MET A 51 -5.237 6.272 1.576 1.00 0.42 C ATOM 760 SD MET A 51 -4.032 5.998 2.899 1.00 0.53 S ATOM 761 CE MET A 51 -2.728 5.278 1.873 1.00 0.48 C ATOM 0 H MET A 51 -7.875 6.156 2.257 1.00 0.31 H new ATOM 0 HA MET A 51 -6.933 5.837 -0.436 1.00 0.34 H new ATOM 0 HB2 MET A 51 -6.210 4.434 2.172 1.00 0.40 H new ATOM 0 HB3 MET A 51 -5.290 4.300 0.687 1.00 0.40 H new ATOM 0 HG2 MET A 51 -4.735 6.654 0.687 1.00 0.42 H new ATOM 0 HG3 MET A 51 -5.963 7.026 1.881 1.00 0.42 H new ATOM 0 HE1 MET A 51 -2.469 4.290 2.254 1.00 0.48 H new ATOM 0 HE2 MET A 51 -3.081 5.189 0.846 1.00 0.48 H new ATOM 0 HE3 MET A 51 -1.848 5.920 1.900 1.00 0.48 H new ATOM 771 N ILE A 52 -8.661 3.358 0.885 1.00 0.24 N ATOM 772 CA ILE A 52 -9.337 2.081 0.535 1.00 0.20 C ATOM 773 C ILE A 52 -10.404 2.329 -0.532 1.00 0.14 C ATOM 774 O ILE A 52 -10.542 1.575 -1.475 1.00 0.14 O ATOM 775 CB ILE A 52 -9.989 1.469 1.785 1.00 0.20 C ATOM 776 CG1 ILE A 52 -8.895 1.007 2.756 1.00 0.28 C ATOM 777 CG2 ILE A 52 -10.859 0.269 1.384 1.00 0.19 C ATOM 778 CD1 ILE A 52 -9.507 0.586 4.097 1.00 0.34 C ATOM 0 H ILE A 52 -8.851 3.705 1.825 1.00 0.24 H new ATOM 0 HA ILE A 52 -8.593 1.387 0.144 1.00 0.20 H new ATOM 0 HB ILE A 52 -10.615 2.219 2.269 1.00 0.20 H new ATOM 0 HG12 ILE A 52 -8.346 0.171 2.322 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -8.178 1.812 2.914 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -11.319 -0.161 2.274 1.00 0.19 H new ATOM 0 HG22 ILE A 52 -11.638 0.598 0.696 1.00 0.19 H new ATOM 0 HG23 ILE A 52 -10.239 -0.483 0.897 1.00 0.19 H new ATOM 0 HD11 ILE A 52 -8.715 0.261 4.772 1.00 0.34 H new ATOM 0 HD12 ILE A 52 -10.036 1.432 4.537 1.00 0.34 H new ATOM 0 HD13 ILE A 52 -10.206 -0.235 3.936 1.00 0.34 H new ATOM 790 N ASN A 53 -11.165 3.365 -0.381 1.00 0.12 N ATOM 791 CA ASN A 53 -12.236 3.655 -1.372 1.00 0.18 C ATOM 792 C ASN A 53 -11.638 4.023 -2.729 1.00 0.24 C ATOM 793 O ASN A 53 -12.275 3.860 -3.749 1.00 0.28 O ATOM 794 CB ASN A 53 -13.076 4.841 -0.853 1.00 0.27 C ATOM 795 CG ASN A 53 -14.471 4.809 -1.493 1.00 0.69 C ATOM 796 OD1 ASN A 53 -14.763 3.944 -2.295 1.00 1.12 O ATOM 797 ND2 ASN A 53 -15.350 5.720 -1.172 1.00 1.92 N ATOM 0 H ASN A 53 -11.095 4.030 0.389 1.00 0.12 H new ATOM 0 HA ASN A 53 -12.855 2.766 -1.497 1.00 0.18 H new ATOM 0 HB2 ASN A 53 -13.162 4.790 0.232 1.00 0.27 H new ATOM 0 HB3 ASN A 53 -12.579 5.782 -1.089 1.00 0.27 H new ATOM 0 HD21 ASN A 53 -16.278 5.704 -1.594 1.00 1.92 H new ATOM 0 HD22 ASN A 53 -15.108 6.447 -0.499 1.00 1.92 H new ATOM 804 N GLU A 54 -10.439 4.541 -2.769 1.00 0.26 N ATOM 805 CA GLU A 54 -9.855 4.932 -4.085 1.00 0.34 C ATOM 806 C GLU A 54 -9.319 3.693 -4.811 1.00 0.36 C ATOM 807 O GLU A 54 -9.580 3.490 -5.980 1.00 0.37 O ATOM 808 CB GLU A 54 -8.717 5.942 -3.872 1.00 0.39 C ATOM 809 CG GLU A 54 -9.297 7.345 -3.656 1.00 0.62 C ATOM 810 CD GLU A 54 -8.153 8.333 -3.432 1.00 0.57 C ATOM 811 OE1 GLU A 54 -7.035 7.880 -3.252 1.00 0.90 O ATOM 812 OE2 GLU A 54 -8.415 9.524 -3.442 1.00 1.81 O ATOM 0 H GLU A 54 -9.845 4.709 -1.957 1.00 0.26 H new ATOM 0 HA GLU A 54 -10.633 5.392 -4.694 1.00 0.34 H new ATOM 0 HB2 GLU A 54 -8.117 5.650 -3.010 1.00 0.39 H new ATOM 0 HB3 GLU A 54 -8.053 5.943 -4.737 1.00 0.39 H new ATOM 0 HG2 GLU A 54 -9.888 7.644 -4.522 1.00 0.62 H new ATOM 0 HG3 GLU A 54 -9.968 7.346 -2.797 1.00 0.62 H new ATOM 819 N VAL A 55 -8.542 2.887 -4.149 1.00 0.37 N ATOM 820 CA VAL A 55 -7.947 1.690 -4.814 1.00 0.40 C ATOM 821 C VAL A 55 -8.995 0.643 -5.148 1.00 0.32 C ATOM 822 O VAL A 55 -8.782 -0.182 -6.015 1.00 0.32 O ATOM 823 CB VAL A 55 -6.901 1.079 -3.891 1.00 0.40 C ATOM 824 CG1 VAL A 55 -6.177 -0.054 -4.614 1.00 0.45 C ATOM 825 CG2 VAL A 55 -5.896 2.158 -3.487 1.00 0.54 C ATOM 0 H VAL A 55 -8.289 3.004 -3.168 1.00 0.37 H new ATOM 0 HA VAL A 55 -7.494 2.015 -5.751 1.00 0.40 H new ATOM 0 HB VAL A 55 -7.387 0.681 -3.000 1.00 0.40 H new ATOM 0 HG11 VAL A 55 -5.429 -0.489 -3.951 1.00 0.45 H new ATOM 0 HG12 VAL A 55 -6.897 -0.820 -4.902 1.00 0.45 H new ATOM 0 HG13 VAL A 55 -5.688 0.338 -5.506 1.00 0.45 H new ATOM 0 HG21 VAL A 55 -5.145 1.726 -2.826 1.00 0.54 H new ATOM 0 HG22 VAL A 55 -5.410 2.555 -4.378 1.00 0.54 H new ATOM 0 HG23 VAL A 55 -6.416 2.963 -2.968 1.00 0.54 H new ATOM 835 N ASP A 56 -10.109 0.651 -4.485 1.00 0.25 N ATOM 836 CA ASP A 56 -11.174 -0.369 -4.776 1.00 0.22 C ATOM 837 C ASP A 56 -12.372 0.321 -5.415 1.00 0.36 C ATOM 838 O ASP A 56 -13.504 0.152 -5.010 1.00 0.45 O ATOM 839 CB ASP A 56 -11.594 -1.063 -3.481 1.00 0.16 C ATOM 840 CG ASP A 56 -12.730 -2.027 -3.788 1.00 0.25 C ATOM 841 OD1 ASP A 56 -13.021 -2.195 -4.956 1.00 0.96 O ATOM 842 OD2 ASP A 56 -13.288 -2.579 -2.853 1.00 0.95 O ATOM 0 H ASP A 56 -10.340 1.318 -3.749 1.00 0.25 H new ATOM 0 HA ASP A 56 -10.783 -1.119 -5.464 1.00 0.22 H new ATOM 0 HB2 ASP A 56 -10.749 -1.600 -3.050 1.00 0.16 H new ATOM 0 HB3 ASP A 56 -11.913 -0.326 -2.744 1.00 0.16 H new ATOM 847 N ALA A 57 -12.110 1.119 -6.402 1.00 0.43 N ATOM 848 CA ALA A 57 -13.192 1.866 -7.086 1.00 0.56 C ATOM 849 C ALA A 57 -14.265 0.942 -7.666 1.00 0.50 C ATOM 850 O ALA A 57 -15.444 1.238 -7.651 1.00 0.63 O ATOM 851 CB ALA A 57 -12.576 2.680 -8.226 1.00 0.67 C ATOM 0 H ALA A 57 -11.174 1.289 -6.771 1.00 0.43 H new ATOM 0 HA ALA A 57 -13.673 2.508 -6.348 1.00 0.56 H new ATOM 0 HB1 ALA A 57 -13.359 3.236 -8.740 1.00 0.67 H new ATOM 0 HB2 ALA A 57 -11.843 3.377 -7.820 1.00 0.67 H new ATOM 0 HB3 ALA A 57 -12.087 2.007 -8.930 1.00 0.67 H new ATOM 857 N ASP A 58 -13.839 -0.178 -8.185 1.00 0.31 N ATOM 858 CA ASP A 58 -14.803 -1.142 -8.786 1.00 0.25 C ATOM 859 C ASP A 58 -15.490 -1.956 -7.679 1.00 0.34 C ATOM 860 O ASP A 58 -16.580 -2.470 -7.842 1.00 0.43 O ATOM 861 CB ASP A 58 -14.059 -2.085 -9.735 1.00 0.13 C ATOM 862 CG ASP A 58 -15.070 -2.891 -10.550 1.00 0.28 C ATOM 863 OD1 ASP A 58 -16.206 -2.455 -10.645 1.00 1.11 O ATOM 864 OD2 ASP A 58 -14.692 -3.929 -11.068 1.00 1.04 O ATOM 0 H ASP A 58 -12.861 -0.467 -8.218 1.00 0.31 H new ATOM 0 HA ASP A 58 -15.561 -0.591 -9.343 1.00 0.25 H new ATOM 0 HB2 ASP A 58 -13.413 -1.513 -10.401 1.00 0.13 H new ATOM 0 HB3 ASP A 58 -13.416 -2.757 -9.167 1.00 0.13 H new ATOM 869 N GLY A 59 -14.874 -1.985 -6.519 1.00 0.39 N ATOM 870 CA GLY A 59 -15.516 -2.670 -5.341 1.00 0.59 C ATOM 871 C GLY A 59 -14.961 -4.077 -5.035 1.00 0.63 C ATOM 872 O GLY A 59 -15.698 -4.893 -4.515 1.00 0.80 O ATOM 0 H GLY A 59 -13.961 -1.568 -6.334 1.00 0.39 H new ATOM 0 HA2 GLY A 59 -15.387 -2.043 -4.459 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -16.588 -2.748 -5.523 1.00 0.59 H new ATOM 876 N ASN A 60 -13.724 -4.419 -5.358 1.00 0.57 N ATOM 877 CA ASN A 60 -13.253 -5.835 -5.070 1.00 0.74 C ATOM 878 C ASN A 60 -12.419 -5.917 -3.778 1.00 0.74 C ATOM 879 O ASN A 60 -11.929 -6.970 -3.424 1.00 1.36 O ATOM 880 CB ASN A 60 -12.441 -6.382 -6.251 1.00 0.76 C ATOM 881 CG ASN A 60 -12.260 -7.892 -6.090 1.00 2.30 C ATOM 882 OD1 ASN A 60 -12.808 -8.501 -5.073 1.00 3.32 O flip ATOM 883 ND2 ASN A 60 -11.614 -8.527 -6.899 1.00 3.48 N flip ATOM 0 H ASN A 60 -13.037 -3.805 -5.795 1.00 0.57 H new ATOM 0 HA ASN A 60 -14.144 -6.446 -4.929 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -12.952 -6.164 -7.189 1.00 0.76 H new ATOM 0 HB3 ASN A 60 -11.469 -5.891 -6.296 1.00 0.76 H new ATOM 0 HD21 ASN A 60 -11.185 -8.053 -7.694 1.00 3.48 H new ATOM 0 HD22 ASN A 60 -11.500 -9.534 -6.783 1.00 3.48 H new ATOM 890 N GLY A 61 -12.295 -4.848 -3.042 1.00 0.12 N ATOM 891 CA GLY A 61 -11.546 -4.890 -1.743 1.00 0.13 C ATOM 892 C GLY A 61 -10.173 -5.584 -1.845 1.00 0.17 C ATOM 893 O GLY A 61 -9.766 -6.259 -0.920 1.00 0.28 O ATOM 0 H GLY A 61 -12.682 -3.936 -3.283 1.00 0.12 H new ATOM 0 HA2 GLY A 61 -11.403 -3.871 -1.382 1.00 0.13 H new ATOM 0 HA3 GLY A 61 -12.152 -5.409 -1.000 1.00 0.13 H new ATOM 897 N THR A 62 -9.438 -5.423 -2.920 1.00 0.13 N ATOM 898 CA THR A 62 -8.082 -6.075 -3.007 1.00 0.15 C ATOM 899 C THR A 62 -7.091 -5.113 -3.676 1.00 0.13 C ATOM 900 O THR A 62 -7.461 -4.306 -4.506 1.00 0.13 O ATOM 901 CB THR A 62 -8.159 -7.375 -3.810 1.00 0.21 C ATOM 902 OG1 THR A 62 -8.759 -7.123 -5.072 1.00 0.26 O ATOM 903 CG2 THR A 62 -8.980 -8.414 -3.042 1.00 0.42 C ATOM 0 H THR A 62 -9.710 -4.875 -3.736 1.00 0.13 H new ATOM 0 HA THR A 62 -7.742 -6.309 -1.998 1.00 0.15 H new ATOM 0 HB THR A 62 -7.151 -7.761 -3.963 1.00 0.21 H new ATOM 0 HG1 THR A 62 -8.805 -7.957 -5.585 1.00 0.26 H new ATOM 0 HG21 THR A 62 -9.031 -9.337 -3.620 1.00 0.42 H new ATOM 0 HG22 THR A 62 -8.507 -8.613 -2.080 1.00 0.42 H new ATOM 0 HG23 THR A 62 -9.988 -8.033 -2.878 1.00 0.42 H new ATOM 911 N ILE A 63 -5.830 -5.185 -3.303 1.00 0.11 N ATOM 912 CA ILE A 63 -4.794 -4.269 -3.893 1.00 0.10 C ATOM 913 C ILE A 63 -3.635 -5.095 -4.447 1.00 0.10 C ATOM 914 O ILE A 63 -3.104 -5.962 -3.783 1.00 0.10 O ATOM 915 CB ILE A 63 -4.243 -3.348 -2.795 1.00 0.10 C ATOM 916 CG1 ILE A 63 -5.407 -2.691 -2.038 1.00 0.10 C ATOM 917 CG2 ILE A 63 -3.326 -2.272 -3.408 1.00 0.11 C ATOM 918 CD1 ILE A 63 -4.873 -1.939 -0.815 1.00 0.12 C ATOM 0 H ILE A 63 -5.472 -5.843 -2.611 1.00 0.11 H new ATOM 0 HA ILE A 63 -5.252 -3.681 -4.689 1.00 0.10 H new ATOM 0 HB ILE A 63 -3.655 -3.942 -2.095 1.00 0.10 H new ATOM 0 HG12 ILE A 63 -5.938 -2.003 -2.696 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -6.124 -3.450 -1.725 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -2.943 -1.627 -2.617 1.00 0.11 H new ATOM 0 HG22 ILE A 63 -2.492 -2.753 -3.920 1.00 0.11 H new ATOM 0 HG23 ILE A 63 -3.893 -1.674 -4.121 1.00 0.11 H new ATOM 0 HD11 ILE A 63 -5.703 -1.475 -0.282 1.00 0.12 H new ATOM 0 HD12 ILE A 63 -4.362 -2.638 -0.153 1.00 0.12 H new ATOM 0 HD13 ILE A 63 -4.174 -1.168 -1.139 1.00 0.12 H new ATOM 930 N ASP A 64 -3.216 -4.800 -5.655 1.00 0.09 N ATOM 931 CA ASP A 64 -2.062 -5.531 -6.262 1.00 0.09 C ATOM 932 C ASP A 64 -0.811 -4.654 -6.105 1.00 0.09 C ATOM 933 O ASP A 64 -0.899 -3.495 -5.749 1.00 0.11 O ATOM 934 CB ASP A 64 -2.343 -5.825 -7.743 1.00 0.11 C ATOM 935 CG ASP A 64 -2.531 -4.510 -8.503 1.00 0.16 C ATOM 936 OD1 ASP A 64 -2.284 -3.470 -7.917 1.00 0.11 O ATOM 937 OD2 ASP A 64 -2.919 -4.567 -9.658 1.00 0.37 O ATOM 0 H ASP A 64 -3.628 -4.080 -6.248 1.00 0.09 H new ATOM 0 HA ASP A 64 -1.908 -6.486 -5.760 1.00 0.09 H new ATOM 0 HB2 ASP A 64 -1.517 -6.391 -8.174 1.00 0.11 H new ATOM 0 HB3 ASP A 64 -3.236 -6.442 -7.838 1.00 0.11 H new ATOM 942 N PHE A 65 0.353 -5.209 -6.314 1.00 0.07 N ATOM 943 CA PHE A 65 1.611 -4.425 -6.116 1.00 0.07 C ATOM 944 C PHE A 65 1.651 -3.103 -6.923 1.00 0.10 C ATOM 945 O PHE A 65 1.949 -2.072 -6.354 1.00 0.12 O ATOM 946 CB PHE A 65 2.839 -5.303 -6.434 1.00 0.06 C ATOM 947 CG PHE A 65 4.125 -4.606 -6.010 1.00 0.05 C ATOM 948 CD1 PHE A 65 4.328 -4.222 -4.670 1.00 1.89 C ATOM 949 CD2 PHE A 65 5.125 -4.353 -6.962 1.00 1.80 C ATOM 950 CE1 PHE A 65 5.521 -3.590 -4.297 1.00 1.87 C ATOM 951 CE2 PHE A 65 6.315 -3.723 -6.583 1.00 1.81 C ATOM 952 CZ PHE A 65 6.514 -3.343 -5.252 1.00 0.04 C ATOM 0 H PHE A 65 0.489 -6.174 -6.614 1.00 0.07 H new ATOM 0 HA PHE A 65 1.635 -4.132 -5.066 1.00 0.07 H new ATOM 0 HB2 PHE A 65 2.751 -6.260 -5.919 1.00 0.06 H new ATOM 0 HB3 PHE A 65 2.871 -5.518 -7.502 1.00 0.06 H new ATOM 0 HD1 PHE A 65 3.564 -4.415 -3.931 1.00 1.89 H new ATOM 0 HD2 PHE A 65 4.975 -4.646 -7.991 1.00 1.80 H new ATOM 0 HE1 PHE A 65 5.675 -3.293 -3.270 1.00 1.87 H new ATOM 0 HE2 PHE A 65 7.081 -3.530 -7.319 1.00 1.81 H new ATOM 0 HZ PHE A 65 7.434 -2.859 -4.961 1.00 0.04 H new ATOM 962 N PRO A 66 1.380 -3.083 -8.215 1.00 0.13 N ATOM 963 CA PRO A 66 1.438 -1.798 -8.997 1.00 0.16 C ATOM 964 C PRO A 66 0.463 -0.738 -8.459 1.00 0.17 C ATOM 965 O PRO A 66 0.804 0.424 -8.364 1.00 0.22 O ATOM 966 CB PRO A 66 1.073 -2.223 -10.435 1.00 0.18 C ATOM 967 CG PRO A 66 0.364 -3.533 -10.288 1.00 0.16 C ATOM 968 CD PRO A 66 0.995 -4.219 -9.078 1.00 0.14 C ATOM 0 HA PRO A 66 2.417 -1.324 -8.930 1.00 0.16 H new ATOM 0 HB2 PRO A 66 0.435 -1.481 -10.915 1.00 0.18 H new ATOM 0 HB3 PRO A 66 1.964 -2.325 -11.054 1.00 0.18 H new ATOM 0 HG2 PRO A 66 -0.705 -3.383 -10.138 1.00 0.16 H new ATOM 0 HG3 PRO A 66 0.478 -4.141 -11.185 1.00 0.16 H new ATOM 0 HD2 PRO A 66 0.291 -4.885 -8.579 1.00 0.14 H new ATOM 0 HD3 PRO A 66 1.858 -4.822 -9.360 1.00 0.14 H new ATOM 976 N GLU A 67 -0.730 -1.116 -8.071 1.00 0.15 N ATOM 977 CA GLU A 67 -1.663 -0.095 -7.510 1.00 0.16 C ATOM 978 C GLU A 67 -1.052 0.407 -6.200 1.00 0.15 C ATOM 979 O GLU A 67 -1.131 1.576 -5.875 1.00 0.17 O ATOM 980 CB GLU A 67 -3.050 -0.699 -7.261 1.00 0.18 C ATOM 981 CG GLU A 67 -3.709 -1.028 -8.601 1.00 0.26 C ATOM 982 CD GLU A 67 -4.985 -1.833 -8.357 1.00 0.34 C ATOM 983 OE1 GLU A 67 -5.121 -2.377 -7.272 1.00 0.17 O ATOM 984 OE2 GLU A 67 -5.805 -1.895 -9.259 1.00 0.60 O ATOM 0 H GLU A 67 -1.092 -2.069 -8.117 1.00 0.15 H new ATOM 0 HA GLU A 67 -1.794 0.727 -8.214 1.00 0.16 H new ATOM 0 HB2 GLU A 67 -2.963 -1.601 -6.655 1.00 0.18 H new ATOM 0 HB3 GLU A 67 -3.669 0.002 -6.701 1.00 0.18 H new ATOM 0 HG2 GLU A 67 -3.943 -0.109 -9.139 1.00 0.26 H new ATOM 0 HG3 GLU A 67 -3.021 -1.597 -9.227 1.00 0.26 H new ATOM 991 N PHE A 68 -0.421 -0.460 -5.455 1.00 0.12 N ATOM 992 CA PHE A 68 0.217 -0.028 -4.181 1.00 0.13 C ATOM 993 C PHE A 68 1.374 0.926 -4.494 1.00 0.13 C ATOM 994 O PHE A 68 1.602 1.899 -3.803 1.00 0.16 O ATOM 995 CB PHE A 68 0.715 -1.271 -3.419 1.00 0.11 C ATOM 996 CG PHE A 68 1.344 -0.867 -2.112 1.00 0.10 C ATOM 997 CD1 PHE A 68 0.547 -0.709 -0.975 1.00 0.09 C ATOM 998 CD2 PHE A 68 2.726 -0.662 -2.036 1.00 0.11 C ATOM 999 CE1 PHE A 68 1.136 -0.343 0.243 1.00 0.09 C ATOM 1000 CE2 PHE A 68 3.311 -0.298 -0.820 1.00 0.11 C ATOM 1001 CZ PHE A 68 2.516 -0.138 0.319 1.00 0.10 C ATOM 0 H PHE A 68 -0.320 -1.451 -5.675 1.00 0.12 H new ATOM 0 HA PHE A 68 -0.503 0.498 -3.554 1.00 0.13 H new ATOM 0 HB2 PHE A 68 -0.117 -1.950 -3.235 1.00 0.11 H new ATOM 0 HB3 PHE A 68 1.440 -1.812 -4.027 1.00 0.11 H new ATOM 0 HD1 PHE A 68 -0.520 -0.868 -1.035 1.00 0.09 H new ATOM 0 HD2 PHE A 68 3.340 -0.785 -2.916 1.00 0.11 H new ATOM 0 HE1 PHE A 68 0.523 -0.219 1.123 1.00 0.09 H new ATOM 0 HE2 PHE A 68 4.378 -0.140 -0.760 1.00 0.11 H new ATOM 0 HZ PHE A 68 2.969 0.144 1.258 1.00 0.10 H new ATOM 1011 N LEU A 69 2.111 0.641 -5.549 1.00 0.11 N ATOM 1012 CA LEU A 69 3.257 1.520 -5.918 1.00 0.12 C ATOM 1013 C LEU A 69 2.732 2.900 -6.344 1.00 0.15 C ATOM 1014 O LEU A 69 3.315 3.917 -6.026 1.00 0.17 O ATOM 1015 CB LEU A 69 4.081 0.893 -7.065 1.00 0.07 C ATOM 1016 CG LEU A 69 5.036 -0.190 -6.533 1.00 0.15 C ATOM 1017 CD1 LEU A 69 5.777 -0.834 -7.720 1.00 0.17 C ATOM 1018 CD2 LEU A 69 6.059 0.422 -5.550 1.00 0.24 C ATOM 0 H LEU A 69 1.963 -0.160 -6.163 1.00 0.11 H new ATOM 0 HA LEU A 69 3.906 1.630 -5.049 1.00 0.12 H new ATOM 0 HB2 LEU A 69 3.409 0.458 -7.804 1.00 0.07 H new ATOM 0 HB3 LEU A 69 4.653 1.670 -7.572 1.00 0.07 H new ATOM 0 HG LEU A 69 4.457 -0.945 -6.001 1.00 0.15 H new ATOM 0 HD11 LEU A 69 6.456 -1.603 -7.351 1.00 0.17 H new ATOM 0 HD12 LEU A 69 5.053 -1.284 -8.399 1.00 0.17 H new ATOM 0 HD13 LEU A 69 6.347 -0.071 -8.251 1.00 0.17 H new ATOM 0 HD21 LEU A 69 6.725 -0.360 -5.185 1.00 0.24 H new ATOM 0 HD22 LEU A 69 6.643 1.187 -6.062 1.00 0.24 H new ATOM 0 HD23 LEU A 69 5.531 0.871 -4.709 1.00 0.24 H new ATOM 1030 N THR A 70 1.639 2.944 -7.069 1.00 0.18 N ATOM 1031 CA THR A 70 1.093 4.257 -7.518 1.00 0.23 C ATOM 1032 C THR A 70 0.607 5.048 -6.295 1.00 0.26 C ATOM 1033 O THR A 70 0.783 6.248 -6.221 1.00 0.26 O ATOM 1034 CB THR A 70 -0.057 4.038 -8.509 1.00 0.22 C ATOM 1035 OG1 THR A 70 0.454 3.459 -9.703 1.00 0.23 O ATOM 1036 CG2 THR A 70 -0.715 5.379 -8.832 1.00 0.22 C ATOM 0 H THR A 70 1.105 2.127 -7.367 1.00 0.18 H new ATOM 0 HA THR A 70 1.875 4.825 -8.022 1.00 0.23 H new ATOM 0 HB THR A 70 -0.797 3.370 -8.068 1.00 0.22 H new ATOM 0 HG1 THR A 70 -0.279 3.316 -10.337 1.00 0.23 H new ATOM 0 HG21 THR A 70 -1.532 5.223 -9.536 1.00 0.22 H new ATOM 0 HG22 THR A 70 -1.105 5.823 -7.916 1.00 0.22 H new ATOM 0 HG23 THR A 70 0.022 6.049 -9.274 1.00 0.22 H new ATOM 1044 N MET A 71 0.018 4.395 -5.323 1.00 0.37 N ATOM 1045 CA MET A 71 -0.445 5.130 -4.106 1.00 0.42 C ATOM 1046 C MET A 71 0.790 5.661 -3.372 1.00 0.36 C ATOM 1047 O MET A 71 0.797 6.765 -2.865 1.00 0.30 O ATOM 1048 CB MET A 71 -1.240 4.199 -3.170 1.00 0.58 C ATOM 1049 CG MET A 71 -2.627 3.852 -3.778 1.00 0.43 C ATOM 1050 SD MET A 71 -3.931 4.160 -2.556 1.00 0.51 S ATOM 1051 CE MET A 71 -3.381 2.947 -1.332 1.00 0.41 C ATOM 0 H MET A 71 -0.161 3.391 -5.320 1.00 0.37 H new ATOM 0 HA MET A 71 -1.101 5.948 -4.404 1.00 0.42 H new ATOM 0 HB2 MET A 71 -0.675 3.283 -2.997 1.00 0.58 H new ATOM 0 HB3 MET A 71 -1.374 4.679 -2.201 1.00 0.58 H new ATOM 0 HG2 MET A 71 -2.803 4.453 -4.670 1.00 0.43 H new ATOM 0 HG3 MET A 71 -2.647 2.807 -4.088 1.00 0.43 H new ATOM 0 HE1 MET A 71 -4.248 2.519 -0.828 1.00 0.41 H new ATOM 0 HE2 MET A 71 -2.823 2.154 -1.831 1.00 0.41 H new ATOM 0 HE3 MET A 71 -2.740 3.435 -0.598 1.00 0.41 H new ATOM 1061 N MET A 72 1.839 4.877 -3.317 1.00 0.39 N ATOM 1062 CA MET A 72 3.079 5.331 -2.621 1.00 0.37 C ATOM 1063 C MET A 72 3.643 6.564 -3.333 1.00 0.30 C ATOM 1064 O MET A 72 4.007 7.548 -2.722 1.00 0.29 O ATOM 1065 CB MET A 72 4.136 4.215 -2.642 1.00 0.44 C ATOM 1066 CG MET A 72 3.785 3.108 -1.630 1.00 0.52 C ATOM 1067 SD MET A 72 5.313 2.330 -1.047 1.00 2.02 S ATOM 1068 CE MET A 72 5.602 3.422 0.368 1.00 0.71 C ATOM 0 H MET A 72 1.888 3.943 -3.724 1.00 0.39 H new ATOM 0 HA MET A 72 2.833 5.577 -1.588 1.00 0.37 H new ATOM 0 HB2 MET A 72 4.203 3.790 -3.644 1.00 0.44 H new ATOM 0 HB3 MET A 72 5.115 4.631 -2.407 1.00 0.44 H new ATOM 0 HG2 MET A 72 3.233 3.529 -0.789 1.00 0.52 H new ATOM 0 HG3 MET A 72 3.139 2.364 -2.096 1.00 0.52 H new ATOM 0 HE1 MET A 72 6.368 2.989 1.012 1.00 0.71 H new ATOM 0 HE2 MET A 72 5.936 4.397 0.013 1.00 0.71 H new ATOM 0 HE3 MET A 72 4.677 3.538 0.933 1.00 0.71 H new ATOM 1078 N ALA A 73 3.735 6.489 -4.632 1.00 0.27 N ATOM 1079 CA ALA A 73 4.296 7.621 -5.421 1.00 0.24 C ATOM 1080 C ALA A 73 3.460 8.896 -5.219 1.00 0.26 C ATOM 1081 O ALA A 73 3.988 9.988 -5.147 1.00 0.24 O ATOM 1082 CB ALA A 73 4.328 7.243 -6.910 1.00 0.24 C ATOM 0 H ALA A 73 3.442 5.684 -5.186 1.00 0.27 H new ATOM 0 HA ALA A 73 5.310 7.820 -5.074 1.00 0.24 H new ATOM 0 HB1 ALA A 73 4.739 8.072 -7.487 1.00 0.24 H new ATOM 0 HB2 ALA A 73 4.952 6.360 -7.048 1.00 0.24 H new ATOM 0 HB3 ALA A 73 3.316 7.029 -7.253 1.00 0.24 H new ATOM 1088 N ARG A 74 2.160 8.769 -5.137 1.00 0.33 N ATOM 1089 CA ARG A 74 1.296 9.973 -4.952 1.00 0.37 C ATOM 1090 C ARG A 74 1.508 10.549 -3.543 1.00 0.34 C ATOM 1091 O ARG A 74 1.446 11.743 -3.325 1.00 0.32 O ATOM 1092 CB ARG A 74 -0.182 9.583 -5.152 1.00 0.47 C ATOM 1093 CG ARG A 74 -0.565 9.670 -6.644 1.00 0.18 C ATOM 1094 CD ARG A 74 -0.972 11.105 -7.000 1.00 0.14 C ATOM 1095 NE ARG A 74 -1.395 11.164 -8.427 1.00 1.36 N ATOM 1096 CZ ARG A 74 -2.067 12.192 -8.864 1.00 1.63 C ATOM 1097 NH1 ARG A 74 -2.363 13.171 -8.051 1.00 2.86 N ATOM 1098 NH2 ARG A 74 -2.442 12.242 -10.113 1.00 1.33 N ATOM 0 H ARG A 74 1.659 7.882 -5.190 1.00 0.33 H new ATOM 0 HA ARG A 74 1.565 10.732 -5.687 1.00 0.37 H new ATOM 0 HB2 ARG A 74 -0.350 8.570 -4.785 1.00 0.47 H new ATOM 0 HB3 ARG A 74 -0.821 10.244 -4.567 1.00 0.47 H new ATOM 0 HG2 ARG A 74 0.277 9.358 -7.262 1.00 0.18 H new ATOM 0 HG3 ARG A 74 -1.387 8.987 -6.857 1.00 0.18 H new ATOM 0 HD2 ARG A 74 -1.787 11.434 -6.355 1.00 0.14 H new ATOM 0 HD3 ARG A 74 -0.136 11.784 -6.829 1.00 0.14 H new ATOM 0 HE ARG A 74 -1.159 10.401 -9.061 1.00 1.36 H new ATOM 0 HH11 ARG A 74 -2.068 13.130 -7.075 1.00 2.86 H new ATOM 0 HH12 ARG A 74 -2.889 13.976 -8.392 1.00 2.86 H new ATOM 0 HH21 ARG A 74 -2.209 11.477 -10.746 1.00 1.33 H new ATOM 0 HH22 ARG A 74 -2.968 13.046 -10.456 1.00 1.33 H new ATOM 1112 N LYS A 75 1.738 9.688 -2.586 1.00 0.35 N ATOM 1113 CA LYS A 75 1.933 10.149 -1.180 1.00 0.35 C ATOM 1114 C LYS A 75 3.330 10.768 -1.012 1.00 0.28 C ATOM 1115 O LYS A 75 3.532 11.635 -0.184 1.00 0.27 O ATOM 1116 CB LYS A 75 1.773 8.944 -0.229 1.00 0.39 C ATOM 1117 CG LYS A 75 0.325 8.842 0.284 1.00 0.47 C ATOM 1118 CD LYS A 75 0.124 9.774 1.484 1.00 1.35 C ATOM 1119 CE LYS A 75 -1.291 9.594 2.037 1.00 1.96 C ATOM 1120 NZ LYS A 75 -1.451 10.416 3.269 1.00 2.75 N ATOM 0 H LYS A 75 1.799 8.679 -2.720 1.00 0.35 H new ATOM 0 HA LYS A 75 1.188 10.908 -0.941 1.00 0.35 H new ATOM 0 HB2 LYS A 75 2.045 8.026 -0.749 1.00 0.39 H new ATOM 0 HB3 LYS A 75 2.456 9.047 0.614 1.00 0.39 H new ATOM 0 HG2 LYS A 75 -0.371 9.107 -0.512 1.00 0.47 H new ATOM 0 HG3 LYS A 75 0.104 7.814 0.571 1.00 0.47 H new ATOM 0 HD2 LYS A 75 0.859 9.552 2.258 1.00 1.35 H new ATOM 0 HD3 LYS A 75 0.280 10.810 1.184 1.00 1.35 H new ATOM 0 HE2 LYS A 75 -2.026 9.893 1.290 1.00 1.96 H new ATOM 0 HE3 LYS A 75 -1.474 8.543 2.262 1.00 1.96 H new ATOM 0 HZ1 LYS A 75 -2.413 10.294 3.645 1.00 2.75 H new ATOM 0 HZ2 LYS A 75 -0.759 10.111 3.982 1.00 2.75 H new ATOM 0 HZ3 LYS A 75 -1.293 11.418 3.041 1.00 2.75 H new ATOM 1134 N MET A 76 4.285 10.352 -1.784 1.00 0.29 N ATOM 1135 CA MET A 76 5.650 10.943 -1.656 1.00 0.29 C ATOM 1136 C MET A 76 5.638 12.386 -2.163 1.00 0.70 C ATOM 1137 O MET A 76 6.221 12.631 -3.207 1.00 1.39 O ATOM 1138 CB MET A 76 6.634 10.117 -2.488 1.00 0.91 C ATOM 1139 CG MET A 76 6.804 8.732 -1.856 1.00 1.10 C ATOM 1140 SD MET A 76 7.952 8.839 -0.461 1.00 1.88 S ATOM 1141 CE MET A 76 9.468 8.512 -1.394 1.00 1.00 C ATOM 0 H MET A 76 4.187 9.631 -2.498 1.00 0.29 H new ATOM 0 HA MET A 76 5.954 10.934 -0.609 1.00 0.29 H new ATOM 0 HB2 MET A 76 6.269 10.019 -3.510 1.00 0.91 H new ATOM 0 HB3 MET A 76 7.597 10.625 -2.541 1.00 0.91 H new ATOM 0 HG2 MET A 76 5.839 8.354 -1.518 1.00 1.10 H new ATOM 0 HG3 MET A 76 7.181 8.027 -2.597 1.00 1.10 H new ATOM 0 HE1 MET A 76 10.323 8.531 -0.718 1.00 1.00 H new ATOM 0 HE2 MET A 76 9.400 7.532 -1.866 1.00 1.00 H new ATOM 0 HE3 MET A 76 9.595 9.276 -2.161 1.00 1.00 H new