USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 460 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 55 THR OG1 : rot -81:sc= 0.595 USER MOD Set 1.2: A 57 SER OG : rot -94:sc= 1.15 USER MOD Set 2.1: A 2 GLN :FLIP amide:sc= -2.6! C(o=-2.9!,f=-2.3!) USER MOD Set 2.2: A 14 THR OG1 : rot -137:sc= 0.269 USER MOD Set 3.1: A 7 THR OG1 : rot 170:sc= -0.443 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= -2.25! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.839 F(o=-3.8!,f=-0.84) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -11.9! C(o=-12!,f=-19!) USER MOD Single : A 33 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0158) USER MOD Single : A 40 GLN : amide:sc= -6.49! C(o=-6.5!,f=-7.1!) USER MOD Single : A 41 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 150:sc= -0.0271 USER MOD Single : A 60 ASN :FLIP amide:sc= 0.761 F(o=-0.007,f=0.76) USER MOD Single : A 62 GLN : amide:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 70:sc= 1.32 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0791 USER MOD Single : A 68 HIS : no HD1:sc= -0.0205 X(o=-0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 16 N GLN A 2 0.001 -5.727 10.777 1.00 0.00 N ATOM 17 CA GLN A 2 0.635 -4.447 10.509 1.00 0.00 C ATOM 18 C GLN A 2 1.783 -4.622 9.512 1.00 0.00 C ATOM 19 O GLN A 2 2.605 -5.525 9.658 1.00 0.00 O ATOM 20 CB GLN A 2 1.127 -3.798 11.804 1.00 0.00 C ATOM 21 CG GLN A 2 0.698 -2.332 11.879 1.00 0.00 C ATOM 22 CD GLN A 2 0.727 -1.824 13.323 1.00 0.00 C ATOM 23 OE1 GLN A 2 1.950 -1.743 13.842 1.00 0.00 O flip ATOM 24 NE2 GLN A 2 -0.291 -1.527 13.925 1.00 0.00 N flip ATOM 0 HA GLN A 2 -0.106 -3.781 10.066 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.730 -4.341 12.661 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.213 -3.866 11.859 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.360 -1.724 11.263 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.307 -2.222 11.471 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.198 -1.613 13.467 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.235 -1.193 14.887 1.00 0.00 H new ATOM 31 N ILE A 3 1.803 -3.741 8.523 1.00 0.00 N ATOM 32 CA ILE A 3 2.837 -3.786 7.503 1.00 0.00 C ATOM 33 C ILE A 3 3.430 -2.387 7.321 1.00 0.00 C ATOM 34 O ILE A 3 3.162 -1.488 8.116 1.00 0.00 O ATOM 35 CB ILE A 3 2.288 -4.394 6.210 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.071 -3.612 5.710 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.979 -5.881 6.390 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.767 -3.946 4.248 1.00 0.00 C ATOM 0 H ILE A 3 1.120 -2.992 8.406 1.00 0.00 H new ATOM 0 HA ILE A 3 3.651 -4.440 7.815 1.00 0.00 H new ATOM 0 HB ILE A 3 3.058 -4.317 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.204 -3.847 6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.255 -2.542 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.590 -6.288 5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.891 -6.411 6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.235 -6.005 7.177 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.102 -3.377 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.626 -3.687 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.560 -5.012 4.154 1.00 0.00 H new ATOM 49 N PHE A 4 4.226 -2.249 6.271 1.00 0.00 N ATOM 50 CA PHE A 4 4.859 -0.974 5.975 1.00 0.00 C ATOM 51 C PHE A 4 4.808 -0.672 4.477 1.00 0.00 C ATOM 52 O PHE A 4 4.799 -1.587 3.655 1.00 0.00 O ATOM 53 CB PHE A 4 6.321 -1.089 6.412 1.00 0.00 C ATOM 54 CG PHE A 4 6.506 -1.613 7.838 1.00 0.00 C ATOM 55 CD1 PHE A 4 6.123 -0.851 8.897 1.00 0.00 C ATOM 56 CD2 PHE A 4 7.052 -2.841 8.046 1.00 0.00 C ATOM 57 CE1 PHE A 4 6.295 -1.337 10.220 1.00 0.00 C ATOM 58 CE2 PHE A 4 7.223 -3.327 9.369 1.00 0.00 C ATOM 59 CZ PHE A 4 6.840 -2.565 10.428 1.00 0.00 C ATOM 0 H PHE A 4 4.447 -2.998 5.615 1.00 0.00 H new ATOM 0 HA PHE A 4 4.341 -0.170 6.498 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.845 -1.751 5.722 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.791 -0.109 6.332 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.688 0.124 8.732 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.356 -3.447 7.205 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.993 -0.731 11.061 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.657 -4.302 9.534 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.969 -2.935 11.434 1.00 0.00 H new ATOM 68 N VAL A 5 4.777 0.616 4.167 1.00 0.00 N ATOM 69 CA VAL A 5 4.728 1.051 2.781 1.00 0.00 C ATOM 70 C VAL A 5 5.863 2.044 2.522 1.00 0.00 C ATOM 71 O VAL A 5 6.262 2.784 3.421 1.00 0.00 O ATOM 72 CB VAL A 5 3.347 1.625 2.461 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.105 2.930 3.223 1.00 0.00 C ATOM 74 CG2 VAL A 5 3.172 1.830 0.955 1.00 0.00 C ATOM 0 H VAL A 5 4.785 1.372 4.851 1.00 0.00 H new ATOM 0 HA VAL A 5 4.877 0.205 2.110 1.00 0.00 H new ATOM 0 HB VAL A 5 2.601 0.901 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.116 3.317 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.165 2.742 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.861 3.662 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.181 2.239 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.930 2.523 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.279 0.874 0.443 1.00 0.00 H new ATOM 84 N LYS A 6 6.351 2.029 1.291 1.00 0.00 N ATOM 85 CA LYS A 6 7.431 2.919 0.902 1.00 0.00 C ATOM 86 C LYS A 6 6.874 4.033 0.014 1.00 0.00 C ATOM 87 O LYS A 6 5.676 4.310 0.036 1.00 0.00 O ATOM 88 CB LYS A 6 8.570 2.129 0.255 1.00 0.00 C ATOM 89 CG LYS A 6 9.908 2.446 0.928 1.00 0.00 C ATOM 90 CD LYS A 6 11.079 1.934 0.087 1.00 0.00 C ATOM 91 CE LYS A 6 12.390 2.005 0.872 1.00 0.00 C ATOM 92 NZ LYS A 6 13.230 0.821 0.586 1.00 0.00 N ATOM 0 H LYS A 6 6.018 1.414 0.549 1.00 0.00 H new ATOM 0 HA LYS A 6 7.864 3.398 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.365 1.061 0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.627 2.369 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.001 3.523 1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.939 1.989 1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.889 0.905 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.164 2.527 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.930 2.914 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.179 2.059 1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.116 0.885 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.719 -0.042 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.447 0.787 -0.431 1.00 0.00 H new ATOM 102 N THR A 7 7.771 4.644 -0.747 1.00 0.00 N ATOM 103 CA THR A 7 7.384 5.721 -1.642 1.00 0.00 C ATOM 104 C THR A 7 8.624 6.406 -2.220 1.00 0.00 C ATOM 105 O THR A 7 9.745 6.118 -1.807 1.00 0.00 O ATOM 106 CB THR A 7 6.470 6.674 -0.867 1.00 0.00 C ATOM 107 OG1 THR A 7 6.826 7.966 -1.350 1.00 0.00 O ATOM 108 CG2 THR A 7 6.809 6.727 0.624 1.00 0.00 C ATOM 0 H THR A 7 8.764 4.413 -0.762 1.00 0.00 H new ATOM 0 HA THR A 7 6.830 5.342 -2.501 1.00 0.00 H new ATOM 0 HB THR A 7 5.433 6.364 -0.993 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.179 8.626 -1.025 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.131 7.417 1.127 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.701 5.733 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.836 7.069 0.752 1.00 0.00 H new ATOM 116 N LEU A 8 8.379 7.300 -3.167 1.00 0.00 N ATOM 117 CA LEU A 8 9.463 8.027 -3.807 1.00 0.00 C ATOM 118 C LEU A 8 10.262 8.783 -2.743 1.00 0.00 C ATOM 119 O LEU A 8 11.393 9.199 -2.990 1.00 0.00 O ATOM 120 CB LEU A 8 8.921 8.924 -4.922 1.00 0.00 C ATOM 121 CG LEU A 8 9.418 10.371 -4.919 1.00 0.00 C ATOM 122 CD1 LEU A 8 10.906 10.440 -5.265 1.00 0.00 C ATOM 123 CD2 LEU A 8 8.572 11.243 -5.850 1.00 0.00 C ATOM 0 H LEU A 8 7.447 7.537 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 8 10.152 7.335 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.179 8.474 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.833 8.934 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 8 9.303 10.770 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.234 11.479 -5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.477 9.873 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.069 10.017 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.946 12.267 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.633 10.855 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.534 11.229 -5.518 1.00 0.00 H new ATOM 134 N THR A 9 9.641 8.938 -1.583 1.00 0.00 N ATOM 135 CA THR A 9 10.280 9.636 -0.480 1.00 0.00 C ATOM 136 C THR A 9 11.249 8.705 0.252 1.00 0.00 C ATOM 137 O THR A 9 12.414 9.047 0.451 1.00 0.00 O ATOM 138 CB THR A 9 9.182 10.201 0.423 1.00 0.00 C ATOM 139 OG1 THR A 9 8.510 9.045 0.916 1.00 0.00 O ATOM 140 CG2 THR A 9 8.106 10.950 -0.364 1.00 0.00 C ATOM 0 H THR A 9 8.702 8.592 -1.383 1.00 0.00 H new ATOM 0 HA THR A 9 10.886 10.468 -0.838 1.00 0.00 H new ATOM 0 HB THR A 9 9.626 10.871 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.782 9.319 1.512 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.351 11.331 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.561 11.783 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.638 10.271 -1.077 1.00 0.00 H new ATOM 148 N GLY A 10 10.732 7.546 0.632 1.00 0.00 N ATOM 149 CA GLY A 10 11.537 6.562 1.336 1.00 0.00 C ATOM 150 C GLY A 10 11.199 6.546 2.828 1.00 0.00 C ATOM 151 O GLY A 10 12.032 6.897 3.661 1.00 0.00 O ATOM 0 H GLY A 10 9.765 7.266 0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.365 5.574 0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.595 6.788 1.201 1.00 0.00 H new ATOM 155 N LYS A 11 9.974 6.133 3.120 1.00 0.00 N ATOM 156 CA LYS A 11 9.515 6.066 4.498 1.00 0.00 C ATOM 157 C LYS A 11 8.661 4.811 4.685 1.00 0.00 C ATOM 158 O LYS A 11 8.163 4.244 3.714 1.00 0.00 O ATOM 159 CB LYS A 11 8.800 7.361 4.888 1.00 0.00 C ATOM 160 CG LYS A 11 7.921 7.151 6.123 1.00 0.00 C ATOM 161 CD LYS A 11 7.146 8.424 6.467 1.00 0.00 C ATOM 162 CE LYS A 11 8.084 9.513 6.989 1.00 0.00 C ATOM 163 NZ LYS A 11 7.468 10.226 8.130 1.00 0.00 N ATOM 0 H LYS A 11 9.285 5.841 2.426 1.00 0.00 H new ATOM 0 HA LYS A 11 10.362 5.980 5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.535 8.140 5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.187 7.707 4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.223 6.334 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.542 6.859 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.621 8.785 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.388 8.201 7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.030 9.068 7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.310 10.220 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.119 10.962 8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.577 10.667 7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.275 9.551 8.897 1.00 0.00 H new ATOM 173 N THR A 12 8.520 4.413 5.941 1.00 0.00 N ATOM 174 CA THR A 12 7.734 3.235 6.269 1.00 0.00 C ATOM 175 C THR A 12 6.665 3.579 7.307 1.00 0.00 C ATOM 176 O THR A 12 6.985 3.980 8.425 1.00 0.00 O ATOM 177 CB THR A 12 8.697 2.138 6.729 1.00 0.00 C ATOM 178 OG1 THR A 12 8.820 1.286 5.594 1.00 0.00 O ATOM 179 CG2 THR A 12 8.088 1.238 7.806 1.00 0.00 C ATOM 0 H THR A 12 8.937 4.885 6.744 1.00 0.00 H new ATOM 0 HA THR A 12 7.190 2.867 5.399 1.00 0.00 H new ATOM 0 HB THR A 12 9.610 2.594 7.111 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.429 0.547 5.804 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.812 0.477 8.097 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.824 1.839 8.676 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.193 0.756 7.414 1.00 0.00 H new ATOM 187 N ILE A 13 5.415 3.411 6.900 1.00 0.00 N ATOM 188 CA ILE A 13 4.295 3.698 7.782 1.00 0.00 C ATOM 189 C ILE A 13 3.574 2.393 8.125 1.00 0.00 C ATOM 190 O ILE A 13 3.427 1.519 7.273 1.00 0.00 O ATOM 191 CB ILE A 13 3.385 4.760 7.162 1.00 0.00 C ATOM 192 CG1 ILE A 13 3.046 4.412 5.711 1.00 0.00 C ATOM 193 CG2 ILE A 13 4.003 6.153 7.288 1.00 0.00 C ATOM 194 CD1 ILE A 13 3.749 5.363 4.740 1.00 0.00 C ATOM 0 H ILE A 13 5.153 3.080 5.972 1.00 0.00 H new ATOM 0 HA ILE A 13 4.648 4.123 8.722 1.00 0.00 H new ATOM 0 HB ILE A 13 2.447 4.773 7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.345 3.385 5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.968 4.467 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.336 6.889 6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.151 6.392 8.341 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.964 6.173 6.773 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.491 5.093 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.429 6.386 4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.828 5.288 4.874 1.00 0.00 H new ATOM 205 N THR A 14 3.143 2.304 9.375 1.00 0.00 N ATOM 206 CA THR A 14 2.440 1.121 9.841 1.00 0.00 C ATOM 207 C THR A 14 0.981 1.152 9.384 1.00 0.00 C ATOM 208 O THR A 14 0.173 1.908 9.922 1.00 0.00 O ATOM 209 CB THR A 14 2.599 1.046 11.361 1.00 0.00 C ATOM 210 OG1 THR A 14 3.308 -0.171 11.577 1.00 0.00 O ATOM 211 CG2 THR A 14 1.264 0.831 12.079 1.00 0.00 C ATOM 0 H THR A 14 3.267 3.032 10.079 1.00 0.00 H new ATOM 0 HA THR A 14 2.863 0.214 9.409 1.00 0.00 H new ATOM 0 HB THR A 14 3.063 1.963 11.723 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.909 -0.653 12.331 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.433 0.785 13.155 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.592 1.658 11.852 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.816 -0.104 11.742 1.00 0.00 H new ATOM 219 N LEU A 15 0.687 0.322 8.394 1.00 0.00 N ATOM 220 CA LEU A 15 -0.661 0.245 7.857 1.00 0.00 C ATOM 221 C LEU A 15 -1.457 -0.803 8.637 1.00 0.00 C ATOM 222 O LEU A 15 -0.884 -1.588 9.391 1.00 0.00 O ATOM 223 CB LEU A 15 -0.623 -0.009 6.348 1.00 0.00 C ATOM 224 CG LEU A 15 -0.833 1.216 5.456 1.00 0.00 C ATOM 225 CD1 LEU A 15 -2.309 1.381 5.089 1.00 0.00 C ATOM 226 CD2 LEU A 15 -0.262 2.475 6.111 1.00 0.00 C ATOM 0 H LEU A 15 1.359 -0.303 7.950 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.177 1.197 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.340 -0.454 6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.388 -0.746 6.104 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.286 1.059 4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.430 2.259 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.652 0.496 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.898 1.506 5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.424 3.331 5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.761 2.647 7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.807 2.345 6.279 1.00 0.00 H new ATOM 237 N GLU A 16 -2.765 -0.783 8.429 1.00 0.00 N ATOM 238 CA GLU A 16 -3.645 -1.720 9.103 1.00 0.00 C ATOM 239 C GLU A 16 -4.529 -2.445 8.086 1.00 0.00 C ATOM 240 O GLU A 16 -5.622 -1.979 7.765 1.00 0.00 O ATOM 241 CB GLU A 16 -4.495 -1.013 10.162 1.00 0.00 C ATOM 242 CG GLU A 16 -3.960 -1.290 11.569 1.00 0.00 C ATOM 243 CD GLU A 16 -5.006 -0.943 12.630 1.00 0.00 C ATOM 244 OE1 GLU A 16 -6.019 -1.673 12.687 1.00 0.00 O ATOM 245 OE2 GLU A 16 -4.768 0.042 13.361 1.00 0.00 O ATOM 0 H GLU A 16 -3.237 -0.131 7.802 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.030 -2.460 9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.497 0.061 9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.529 -1.351 10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.682 -2.340 11.656 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.056 -0.706 11.740 1.00 0.00 H new ATOM 250 N VAL A 17 -4.025 -3.572 7.607 1.00 0.00 N ATOM 251 CA VAL A 17 -4.755 -4.365 6.633 1.00 0.00 C ATOM 252 C VAL A 17 -4.755 -5.831 7.072 1.00 0.00 C ATOM 253 O VAL A 17 -4.167 -6.177 8.095 1.00 0.00 O ATOM 254 CB VAL A 17 -4.159 -4.159 5.239 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.525 -2.780 4.684 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.642 -4.359 5.256 1.00 0.00 C ATOM 0 H VAL A 17 -3.119 -3.955 7.876 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.795 -4.042 6.579 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.588 -4.911 4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.089 -2.659 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.609 -2.691 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.138 -2.006 5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.244 -4.207 4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.188 -3.641 5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.412 -5.371 5.588 1.00 0.00 H new ATOM 266 N GLU A 18 -5.424 -6.653 6.277 1.00 0.00 N ATOM 267 CA GLU A 18 -5.510 -8.073 6.571 1.00 0.00 C ATOM 268 C GLU A 18 -4.857 -8.888 5.451 1.00 0.00 C ATOM 269 O GLU A 18 -4.663 -8.384 4.345 1.00 0.00 O ATOM 270 CB GLU A 18 -6.962 -8.502 6.785 1.00 0.00 C ATOM 271 CG GLU A 18 -7.272 -8.664 8.275 1.00 0.00 C ATOM 272 CD GLU A 18 -8.670 -8.135 8.605 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.073 -7.151 7.949 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.302 -8.728 9.506 1.00 0.00 O ATOM 0 H GLU A 18 -5.912 -6.363 5.429 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.969 -8.265 7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.632 -7.761 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.147 -9.443 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.202 -9.716 8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.528 -8.129 8.865 1.00 0.00 H new ATOM 279 N PRO A 19 -4.528 -10.164 5.786 1.00 0.00 N ATOM 280 CA PRO A 19 -3.902 -11.052 4.822 1.00 0.00 C ATOM 281 C PRO A 19 -4.918 -11.547 3.791 1.00 0.00 C ATOM 282 O PRO A 19 -4.542 -12.000 2.711 1.00 0.00 O ATOM 283 CB PRO A 19 -3.303 -12.175 5.652 1.00 0.00 C ATOM 284 CG PRO A 19 -4.010 -12.121 6.997 1.00 0.00 C ATOM 285 CD PRO A 19 -4.743 -10.793 7.086 1.00 0.00 C ATOM 0 HA PRO A 19 -3.131 -10.556 4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.454 -13.141 5.170 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.228 -12.043 5.770 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.710 -12.951 7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.290 -12.215 7.810 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.805 -10.939 7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.349 -10.177 7.894 1.00 0.00 H new ATOM 290 N SER A 20 -6.186 -11.445 4.161 1.00 0.00 N ATOM 291 CA SER A 20 -7.260 -11.876 3.282 1.00 0.00 C ATOM 292 C SER A 20 -7.902 -10.663 2.605 1.00 0.00 C ATOM 293 O SER A 20 -8.979 -10.772 2.021 1.00 0.00 O ATOM 294 CB SER A 20 -8.314 -12.674 4.051 1.00 0.00 C ATOM 295 OG SER A 20 -7.740 -13.759 4.775 1.00 0.00 O ATOM 0 H SER A 20 -6.494 -11.070 5.058 1.00 0.00 H new ATOM 0 HA SER A 20 -6.836 -12.528 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.836 -12.013 4.743 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.059 -13.057 3.353 1.00 0.00 H new ATOM 0 HG SER A 20 -8.445 -14.242 5.254 1.00 0.00 H new ATOM 300 N ASP A 21 -7.213 -9.536 2.705 1.00 0.00 N ATOM 301 CA ASP A 21 -7.702 -8.304 2.110 1.00 0.00 C ATOM 302 C ASP A 21 -7.158 -8.181 0.685 1.00 0.00 C ATOM 303 O ASP A 21 -6.031 -8.586 0.410 1.00 0.00 O ATOM 304 CB ASP A 21 -7.231 -7.084 2.903 1.00 0.00 C ATOM 305 CG ASP A 21 -8.004 -6.814 4.195 1.00 0.00 C ATOM 306 OD1 ASP A 21 -8.962 -7.575 4.453 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.622 -5.853 4.896 1.00 0.00 O ATOM 0 H ASP A 21 -6.320 -9.450 3.189 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.792 -8.337 2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.177 -7.214 3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.303 -6.204 2.264 1.00 0.00 H new ATOM 311 N THR A 22 -7.987 -7.619 -0.183 1.00 0.00 N ATOM 312 CA THR A 22 -7.603 -7.436 -1.573 1.00 0.00 C ATOM 313 C THR A 22 -6.694 -6.214 -1.719 1.00 0.00 C ATOM 314 O THR A 22 -6.755 -5.290 -0.909 1.00 0.00 O ATOM 315 CB THR A 22 -8.882 -7.346 -2.408 1.00 0.00 C ATOM 316 OG1 THR A 22 -8.413 -7.197 -3.745 1.00 0.00 O ATOM 317 CG2 THR A 22 -9.666 -6.059 -2.142 1.00 0.00 C ATOM 0 H THR A 22 -8.922 -7.285 0.049 1.00 0.00 H new ATOM 0 HA THR A 22 -7.019 -8.281 -1.937 1.00 0.00 H new ATOM 0 HB THR A 22 -9.516 -8.207 -2.195 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.178 -7.133 -4.355 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.564 -6.046 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.949 -6.016 -1.090 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.045 -5.197 -2.386 1.00 0.00 H new ATOM 325 N ILE A 23 -5.873 -6.250 -2.757 1.00 0.00 N ATOM 326 CA ILE A 23 -4.952 -5.157 -3.021 1.00 0.00 C ATOM 327 C ILE A 23 -5.731 -3.841 -3.075 1.00 0.00 C ATOM 328 O ILE A 23 -5.426 -2.905 -2.337 1.00 0.00 O ATOM 329 CB ILE A 23 -4.132 -5.438 -4.282 1.00 0.00 C ATOM 330 CG1 ILE A 23 -3.390 -6.771 -4.168 1.00 0.00 C ATOM 331 CG2 ILE A 23 -3.184 -4.278 -4.590 1.00 0.00 C ATOM 332 CD1 ILE A 23 -2.767 -6.934 -2.779 1.00 0.00 C ATOM 0 H ILE A 23 -5.826 -7.019 -3.426 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.227 -5.067 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.819 -5.523 -5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.080 -7.593 -4.360 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.611 -6.824 -4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.613 -4.504 -5.491 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.762 -3.367 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.500 -4.135 -3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.245 -7.890 -2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.060 -6.124 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.551 -6.905 -2.023 1.00 0.00 H new ATOM 343 N GLU A 24 -6.721 -3.812 -3.954 1.00 0.00 N ATOM 344 CA GLU A 24 -7.547 -2.626 -4.113 1.00 0.00 C ATOM 345 C GLU A 24 -7.901 -2.040 -2.746 1.00 0.00 C ATOM 346 O GLU A 24 -8.014 -0.824 -2.598 1.00 0.00 O ATOM 347 CB GLU A 24 -8.808 -2.941 -4.919 1.00 0.00 C ATOM 348 CG GLU A 24 -9.737 -1.727 -4.979 1.00 0.00 C ATOM 349 CD GLU A 24 -10.547 -1.720 -6.277 1.00 0.00 C ATOM 350 OE1 GLU A 24 -9.903 -1.681 -7.348 1.00 0.00 O ATOM 351 OE2 GLU A 24 -11.792 -1.754 -6.170 1.00 0.00 O ATOM 0 H GLU A 24 -6.971 -4.590 -4.564 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.978 -1.881 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.532 -3.243 -5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.332 -3.783 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.413 -1.740 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.150 -0.811 -4.908 1.00 0.00 H new ATOM 356 N ASN A 25 -8.069 -2.931 -1.780 1.00 0.00 N ATOM 357 CA ASN A 25 -8.409 -2.517 -0.429 1.00 0.00 C ATOM 358 C ASN A 25 -7.151 -2.003 0.274 1.00 0.00 C ATOM 359 O ASN A 25 -7.105 -0.854 0.711 1.00 0.00 O ATOM 360 CB ASN A 25 -8.960 -3.689 0.385 1.00 0.00 C ATOM 361 CG ASN A 25 -9.291 -3.256 1.814 1.00 0.00 C ATOM 362 OD1 ASN A 25 -8.222 -3.077 2.586 1.00 0.00 O flip ATOM 363 ND2 ASN A 25 -10.440 -3.096 2.192 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.976 -3.939 -1.906 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.168 -1.737 -0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.856 -4.082 -0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.229 -4.497 0.406 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.215 -3.251 1.547 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.625 -2.808 3.153 1.00 0.00 H new ATOM 369 N VAL A 26 -6.161 -2.880 0.360 1.00 0.00 N ATOM 370 CA VAL A 26 -4.905 -2.530 1.004 1.00 0.00 C ATOM 371 C VAL A 26 -4.328 -1.279 0.338 1.00 0.00 C ATOM 372 O VAL A 26 -3.743 -0.430 1.008 1.00 0.00 O ATOM 373 CB VAL A 26 -3.948 -3.723 0.966 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.787 -3.525 1.943 1.00 0.00 C ATOM 375 CG2 VAL A 26 -4.689 -5.030 1.253 1.00 0.00 C ATOM 0 H VAL A 26 -6.203 -3.832 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.067 -2.294 2.056 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.533 -3.788 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.121 -4.387 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.234 -2.625 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.177 -3.422 2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.986 -5.862 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.145 -4.980 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.465 -5.181 0.502 1.00 0.00 H new ATOM 385 N LYS A 27 -4.513 -1.206 -0.972 1.00 0.00 N ATOM 386 CA LYS A 27 -4.017 -0.072 -1.735 1.00 0.00 C ATOM 387 C LYS A 27 -4.960 1.117 -1.542 1.00 0.00 C ATOM 388 O LYS A 27 -4.658 2.228 -1.977 1.00 0.00 O ATOM 389 CB LYS A 27 -3.811 -0.463 -3.200 1.00 0.00 C ATOM 390 CG LYS A 27 -4.169 0.696 -4.132 1.00 0.00 C ATOM 391 CD LYS A 27 -3.838 0.354 -5.586 1.00 0.00 C ATOM 392 CE LYS A 27 -4.798 -0.705 -6.132 1.00 0.00 C ATOM 393 NZ LYS A 27 -5.962 -0.062 -6.783 1.00 0.00 N ATOM 0 H LYS A 27 -4.999 -1.913 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.037 0.235 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.773 -0.755 -3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.427 -1.330 -3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.231 0.925 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.623 1.590 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.898 1.254 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.813 -0.010 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.278 -1.341 -6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.137 -1.350 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.604 -0.794 -7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.467 0.526 -6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.634 0.535 -7.569 1.00 0.00 H new ATOM 403 N ALA A 28 -6.081 0.844 -0.891 1.00 0.00 N ATOM 404 CA ALA A 28 -7.068 1.879 -0.635 1.00 0.00 C ATOM 405 C ALA A 28 -6.810 2.496 0.740 1.00 0.00 C ATOM 406 O ALA A 28 -6.839 3.716 0.893 1.00 0.00 O ATOM 407 CB ALA A 28 -8.473 1.284 -0.754 1.00 0.00 C ATOM 0 H ALA A 28 -6.328 -0.079 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.988 2.677 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.214 2.060 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.616 0.886 -1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.591 0.481 -0.026 1.00 0.00 H new ATOM 413 N LYS A 29 -6.565 1.625 1.707 1.00 0.00 N ATOM 414 CA LYS A 29 -6.302 2.069 3.065 1.00 0.00 C ATOM 415 C LYS A 29 -5.428 3.324 3.028 1.00 0.00 C ATOM 416 O LYS A 29 -5.852 4.394 3.461 1.00 0.00 O ATOM 417 CB LYS A 29 -5.706 0.930 3.896 1.00 0.00 C ATOM 418 CG LYS A 29 -6.563 -0.334 3.788 1.00 0.00 C ATOM 419 CD LYS A 29 -8.036 -0.022 4.062 1.00 0.00 C ATOM 420 CE LYS A 29 -8.242 0.427 5.509 1.00 0.00 C ATOM 421 NZ LYS A 29 -9.677 0.672 5.778 1.00 0.00 N ATOM 0 H LYS A 29 -6.543 0.614 1.577 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.233 2.343 3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.693 0.717 3.554 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.633 1.236 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.458 -0.765 2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.207 -1.081 4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.378 0.759 3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.642 -0.906 3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.864 -0.336 6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.670 1.335 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.798 0.976 6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.028 1.416 5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.215 -0.203 5.617 1.00 0.00 H new ATOM 431 N ILE A 30 -4.223 3.152 2.504 1.00 0.00 N ATOM 432 CA ILE A 30 -3.286 4.257 2.403 1.00 0.00 C ATOM 433 C ILE A 30 -4.014 5.490 1.866 1.00 0.00 C ATOM 434 O ILE A 30 -3.982 6.553 2.483 1.00 0.00 O ATOM 435 CB ILE A 30 -2.067 3.852 1.571 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.493 3.155 0.277 1.00 0.00 C ATOM 437 CG2 ILE A 30 -1.103 2.993 2.394 1.00 0.00 C ATOM 438 CD1 ILE A 30 -1.584 1.964 -0.028 1.00 0.00 C ATOM 0 H ILE A 30 -3.874 2.263 2.145 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.899 4.519 3.388 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.531 4.758 1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.525 2.816 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.460 3.864 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.245 2.718 1.780 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.762 3.558 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.614 2.090 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.908 1.486 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.556 2.310 -0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.639 1.246 0.790 1.00 0.00 H new ATOM 449 N GLN A 31 -4.654 5.307 0.720 1.00 0.00 N ATOM 450 CA GLN A 31 -5.390 6.392 0.093 1.00 0.00 C ATOM 451 C GLN A 31 -6.289 7.086 1.117 1.00 0.00 C ATOM 452 O GLN A 31 -6.608 8.266 0.971 1.00 0.00 O ATOM 453 CB GLN A 31 -6.205 5.884 -1.099 1.00 0.00 C ATOM 454 CG GLN A 31 -5.299 5.239 -2.149 1.00 0.00 C ATOM 455 CD GLN A 31 -4.153 6.177 -2.534 1.00 0.00 C ATOM 456 OE1 GLN A 31 -4.179 6.845 -3.555 1.00 0.00 O ATOM 457 NE2 GLN A 31 -3.148 6.190 -1.662 1.00 0.00 N ATOM 0 H GLN A 31 -4.678 4.424 0.210 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.673 7.122 -0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.944 5.159 -0.756 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.755 6.712 -1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.894 4.304 -1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.883 4.990 -3.035 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.190 5.606 -0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.336 6.784 -1.829 1.00 0.00 H new ATOM 464 N ASP A 32 -6.674 6.325 2.130 1.00 0.00 N ATOM 465 CA ASP A 32 -7.531 6.852 3.179 1.00 0.00 C ATOM 466 C ASP A 32 -6.663 7.409 4.309 1.00 0.00 C ATOM 467 O ASP A 32 -7.061 8.347 4.999 1.00 0.00 O ATOM 468 CB ASP A 32 -8.424 5.756 3.765 1.00 0.00 C ATOM 469 CG ASP A 32 -9.921 6.072 3.762 1.00 0.00 C ATOM 470 OD1 ASP A 32 -10.342 6.817 2.852 1.00 0.00 O ATOM 471 OD2 ASP A 32 -10.610 5.560 4.671 1.00 0.00 O ATOM 0 H ASP A 32 -6.408 5.347 2.247 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.156 7.631 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.261 4.836 3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.111 5.563 4.791 1.00 0.00 H new ATOM 475 N LYS A 33 -5.493 6.807 4.465 1.00 0.00 N ATOM 476 CA LYS A 33 -4.566 7.230 5.501 1.00 0.00 C ATOM 477 C LYS A 33 -4.186 8.694 5.270 1.00 0.00 C ATOM 478 O LYS A 33 -3.978 9.442 6.224 1.00 0.00 O ATOM 479 CB LYS A 33 -3.364 6.285 5.562 1.00 0.00 C ATOM 480 CG LYS A 33 -3.751 4.947 6.194 1.00 0.00 C ATOM 481 CD LYS A 33 -3.233 4.849 7.631 1.00 0.00 C ATOM 482 CE LYS A 33 -4.350 4.430 8.589 1.00 0.00 C ATOM 483 NZ LYS A 33 -5.099 5.616 9.063 1.00 0.00 N ATOM 0 H LYS A 33 -5.166 6.030 3.891 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.037 7.173 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.977 6.118 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.563 6.746 6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.835 4.837 6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.344 4.129 5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.418 4.127 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.825 5.811 7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.029 3.741 8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.926 3.896 9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.438 5.448 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.474 6.447 9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.911 5.787 8.436 1.00 0.00 H new ATOM 493 N GLU A 34 -4.105 9.059 3.999 1.00 0.00 N ATOM 494 CA GLU A 34 -3.753 10.420 3.631 1.00 0.00 C ATOM 495 C GLU A 34 -4.968 11.143 3.046 1.00 0.00 C ATOM 496 O GLU A 34 -5.507 12.059 3.664 1.00 0.00 O ATOM 497 CB GLU A 34 -2.579 10.437 2.650 1.00 0.00 C ATOM 498 CG GLU A 34 -2.475 9.109 1.898 1.00 0.00 C ATOM 499 CD GLU A 34 -1.873 8.020 2.789 1.00 0.00 C ATOM 500 OE1 GLU A 34 -1.689 8.308 3.992 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.609 6.924 2.248 1.00 0.00 O ATOM 0 H GLU A 34 -4.277 8.435 3.210 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.439 10.949 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.706 11.253 1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.652 10.627 3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.464 8.801 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.859 9.238 1.008 1.00 0.00 H new ATOM 506 N GLY A 35 -5.364 10.702 1.861 1.00 0.00 N ATOM 507 CA GLY A 35 -6.505 11.295 1.185 1.00 0.00 C ATOM 508 C GLY A 35 -6.216 11.496 -0.304 1.00 0.00 C ATOM 509 O GLY A 35 -6.609 12.508 -0.884 1.00 0.00 O ATOM 0 H GLY A 35 -4.915 9.941 1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.378 10.654 1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.747 12.253 1.645 1.00 0.00 H new ATOM 513 N ILE A 36 -5.534 10.518 -0.879 1.00 0.00 N ATOM 514 CA ILE A 36 -5.188 10.575 -2.290 1.00 0.00 C ATOM 515 C ILE A 36 -5.709 9.319 -2.990 1.00 0.00 C ATOM 516 O ILE A 36 -5.680 8.229 -2.420 1.00 0.00 O ATOM 517 CB ILE A 36 -3.685 10.798 -2.464 1.00 0.00 C ATOM 518 CG1 ILE A 36 -3.239 10.445 -3.885 1.00 0.00 C ATOM 519 CG2 ILE A 36 -2.890 10.031 -1.406 1.00 0.00 C ATOM 520 CD1 ILE A 36 -1.749 10.099 -3.922 1.00 0.00 C ATOM 0 H ILE A 36 -5.211 9.681 -0.394 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.671 11.428 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.478 11.858 -2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.821 9.601 -4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.438 11.284 -4.551 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.824 10.207 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.181 10.374 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.097 8.965 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.458 9.852 -4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.168 10.954 -3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.558 9.244 -3.273 1.00 0.00 H new ATOM 531 N PRO A 37 -6.185 9.517 -4.248 1.00 0.00 N ATOM 532 CA PRO A 37 -6.711 8.412 -5.032 1.00 0.00 C ATOM 533 C PRO A 37 -5.581 7.528 -5.562 1.00 0.00 C ATOM 534 O PRO A 37 -4.536 8.031 -5.974 1.00 0.00 O ATOM 535 CB PRO A 37 -7.523 9.066 -6.139 1.00 0.00 C ATOM 536 CG PRO A 37 -7.043 10.507 -6.211 1.00 0.00 C ATOM 537 CD PRO A 37 -6.236 10.793 -4.956 1.00 0.00 C ATOM 0 HA PRO A 37 -7.334 7.739 -4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.370 8.555 -7.090 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.590 9.020 -5.920 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.433 10.662 -7.101 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.891 11.188 -6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.236 11.150 -5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.709 11.564 -4.348 1.00 0.00 H new ATOM 542 N PRO A 38 -5.834 6.192 -5.534 1.00 0.00 N ATOM 543 CA PRO A 38 -4.850 5.233 -6.006 1.00 0.00 C ATOM 544 C PRO A 38 -4.784 5.224 -7.535 1.00 0.00 C ATOM 545 O PRO A 38 -3.778 4.817 -8.113 1.00 0.00 O ATOM 546 CB PRO A 38 -5.287 3.900 -5.422 1.00 0.00 C ATOM 547 CG PRO A 38 -6.746 4.074 -5.033 1.00 0.00 C ATOM 548 CD PRO A 38 -7.060 5.561 -5.053 1.00 0.00 C ATOM 0 HA PRO A 38 -3.837 5.478 -5.687 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.170 3.097 -6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.681 3.635 -4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.393 3.538 -5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.929 3.659 -4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.902 5.779 -5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.328 5.923 -4.060 1.00 0.00 H new ATOM 553 N ASP A 39 -5.869 5.677 -8.145 1.00 0.00 N ATOM 554 CA ASP A 39 -5.947 5.726 -9.595 1.00 0.00 C ATOM 555 C ASP A 39 -4.605 6.200 -10.158 1.00 0.00 C ATOM 556 O ASP A 39 -4.222 5.817 -11.263 1.00 0.00 O ATOM 557 CB ASP A 39 -7.026 6.708 -10.056 1.00 0.00 C ATOM 558 CG ASP A 39 -7.278 6.730 -11.565 1.00 0.00 C ATOM 559 OD1 ASP A 39 -6.538 6.014 -12.275 1.00 0.00 O ATOM 560 OD2 ASP A 39 -8.205 7.462 -11.974 1.00 0.00 O ATOM 0 H ASP A 39 -6.702 6.014 -7.661 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.192 4.726 -9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.960 6.462 -9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.744 7.711 -9.735 1.00 0.00 H new ATOM 564 N GLN A 40 -3.929 7.025 -9.373 1.00 0.00 N ATOM 565 CA GLN A 40 -2.638 7.555 -9.779 1.00 0.00 C ATOM 566 C GLN A 40 -1.510 6.672 -9.242 1.00 0.00 C ATOM 567 O GLN A 40 -0.813 6.011 -10.011 1.00 0.00 O ATOM 568 CB GLN A 40 -2.470 9.003 -9.317 1.00 0.00 C ATOM 569 CG GLN A 40 -3.414 9.935 -10.079 1.00 0.00 C ATOM 570 CD GLN A 40 -4.866 9.477 -9.940 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.546 9.176 -10.908 1.00 0.00 O ATOM 572 NE2 GLN A 40 -5.305 9.441 -8.684 1.00 0.00 N ATOM 0 H GLN A 40 -4.251 7.340 -8.458 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.590 7.549 -10.868 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.669 9.073 -8.248 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.438 9.320 -9.470 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.312 10.952 -9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.136 9.958 -11.133 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.684 9.706 -7.919 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.262 9.149 -8.486 1.00 0.00 H new ATOM 579 N GLN A 41 -1.363 6.691 -7.925 1.00 0.00 N ATOM 580 CA GLN A 41 -0.330 5.900 -7.276 1.00 0.00 C ATOM 581 C GLN A 41 -0.521 4.415 -7.591 1.00 0.00 C ATOM 582 O GLN A 41 -1.483 4.038 -8.259 1.00 0.00 O ATOM 583 CB GLN A 41 -0.323 6.144 -5.765 1.00 0.00 C ATOM 584 CG GLN A 41 -0.132 7.629 -5.450 1.00 0.00 C ATOM 585 CD GLN A 41 1.307 8.068 -5.730 1.00 0.00 C ATOM 586 OE1 GLN A 41 2.220 7.824 -4.958 1.00 0.00 O ATOM 587 NE2 GLN A 41 1.459 8.728 -6.875 1.00 0.00 N ATOM 0 H GLN A 41 -1.941 7.241 -7.290 1.00 0.00 H new ATOM 0 HA GLN A 41 0.639 6.212 -7.667 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.260 5.795 -5.332 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.477 5.565 -5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.821 8.223 -6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.377 7.817 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.653 8.899 -7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.382 9.063 -7.152 1.00 0.00 H new ATOM 594 N ARG A 42 0.410 3.613 -7.096 1.00 0.00 N ATOM 595 CA ARG A 42 0.356 2.179 -7.315 1.00 0.00 C ATOM 596 C ARG A 42 1.168 1.446 -6.246 1.00 0.00 C ATOM 597 O ARG A 42 2.159 1.976 -5.743 1.00 0.00 O ATOM 598 CB ARG A 42 0.899 1.813 -8.698 1.00 0.00 C ATOM 599 CG ARG A 42 2.220 2.534 -8.976 1.00 0.00 C ATOM 600 CD ARG A 42 3.222 1.599 -9.657 1.00 0.00 C ATOM 601 NE ARG A 42 3.693 2.199 -10.925 1.00 0.00 N ATOM 602 CZ ARG A 42 4.204 1.495 -11.945 1.00 0.00 C ATOM 603 NH1 ARG A 42 4.314 0.163 -11.851 1.00 0.00 N ATOM 604 NH2 ARG A 42 4.606 2.124 -13.058 1.00 0.00 N ATOM 0 H ARG A 42 1.207 3.930 -6.543 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.689 1.874 -7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.049 0.735 -8.760 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.168 2.078 -9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.038 3.402 -9.610 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.640 2.904 -8.041 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.069 1.416 -8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.756 0.633 -9.853 1.00 0.00 H new ATOM 0 HE ARG A 42 3.625 3.211 -11.029 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.009 -0.315 -11.003 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.703 -0.373 -12.627 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.523 3.138 -13.129 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.995 1.589 -13.834 1.00 0.00 H new ATOM 615 N LEU A 43 0.720 0.241 -5.930 1.00 0.00 N ATOM 616 CA LEU A 43 1.393 -0.570 -4.929 1.00 0.00 C ATOM 617 C LEU A 43 2.386 -1.506 -5.620 1.00 0.00 C ATOM 618 O LEU A 43 2.130 -1.980 -6.726 1.00 0.00 O ATOM 619 CB LEU A 43 0.371 -1.295 -4.051 1.00 0.00 C ATOM 620 CG LEU A 43 -0.052 -0.569 -2.774 1.00 0.00 C ATOM 621 CD1 LEU A 43 1.007 -0.721 -1.680 1.00 0.00 C ATOM 622 CD2 LEU A 43 -0.375 0.899 -3.059 1.00 0.00 C ATOM 0 H LEU A 43 -0.102 -0.194 -6.349 1.00 0.00 H new ATOM 0 HA LEU A 43 1.969 0.061 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.520 -1.486 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.783 -2.265 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.966 -1.034 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.681 -0.195 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.145 -1.778 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.950 -0.298 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.673 1.392 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.507 1.393 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.190 0.959 -3.781 1.00 0.00 H new ATOM 633 N ILE A 44 3.497 -1.745 -4.940 1.00 0.00 N ATOM 634 CA ILE A 44 4.530 -2.616 -5.475 1.00 0.00 C ATOM 635 C ILE A 44 5.080 -3.497 -4.352 1.00 0.00 C ATOM 636 O ILE A 44 5.380 -3.007 -3.263 1.00 0.00 O ATOM 637 CB ILE A 44 5.602 -1.796 -6.196 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.968 -0.740 -7.102 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.565 -2.706 -6.960 1.00 0.00 C ATOM 640 CD1 ILE A 44 4.573 -1.343 -8.453 1.00 0.00 C ATOM 0 H ILE A 44 3.705 -1.351 -4.023 1.00 0.00 H new ATOM 0 HA ILE A 44 4.113 -3.284 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 44 6.188 -1.264 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.088 -0.320 -6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.669 0.080 -7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.317 -2.099 -7.464 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.055 -3.385 -6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.010 -3.284 -7.700 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.124 -0.571 -9.079 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.459 -1.741 -8.947 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.854 -2.147 -8.296 1.00 0.00 H new ATOM 651 N PHE A 45 5.197 -4.781 -4.653 1.00 0.00 N ATOM 652 CA PHE A 45 5.706 -5.736 -3.683 1.00 0.00 C ATOM 653 C PHE A 45 6.516 -6.838 -4.369 1.00 0.00 C ATOM 654 O PHE A 45 5.978 -7.596 -5.175 1.00 0.00 O ATOM 655 CB PHE A 45 4.494 -6.363 -2.994 1.00 0.00 C ATOM 656 CG PHE A 45 4.848 -7.278 -1.820 1.00 0.00 C ATOM 657 CD1 PHE A 45 5.499 -6.774 -0.737 1.00 0.00 C ATOM 658 CD2 PHE A 45 4.514 -8.596 -1.859 1.00 0.00 C ATOM 659 CE1 PHE A 45 5.828 -7.623 0.352 1.00 0.00 C ATOM 660 CE2 PHE A 45 4.845 -9.445 -0.770 1.00 0.00 C ATOM 661 CZ PHE A 45 5.494 -8.940 0.313 1.00 0.00 C ATOM 0 H PHE A 45 4.948 -5.184 -5.556 1.00 0.00 H new ATOM 0 HA PHE A 45 6.361 -5.231 -2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.841 -5.567 -2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.927 -6.935 -3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.766 -5.728 -0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.997 -8.997 -2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.344 -7.222 1.212 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.581 -10.492 -0.802 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.744 -9.585 1.142 1.00 0.00 H new ATOM 670 N ALA A 46 7.794 -6.891 -4.024 1.00 0.00 N ATOM 671 CA ALA A 46 8.682 -7.889 -4.598 1.00 0.00 C ATOM 672 C ALA A 46 9.227 -7.373 -5.931 1.00 0.00 C ATOM 673 O ALA A 46 10.429 -7.442 -6.182 1.00 0.00 O ATOM 674 CB ALA A 46 7.932 -9.215 -4.747 1.00 0.00 C ATOM 0 H ALA A 46 8.236 -6.260 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 46 9.533 -8.069 -3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.598 -9.963 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.591 -9.552 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.072 -9.075 -5.402 1.00 0.00 H new ATOM 680 N GLY A 47 8.317 -6.870 -6.751 1.00 0.00 N ATOM 681 CA GLY A 47 8.692 -6.343 -8.052 1.00 0.00 C ATOM 682 C GLY A 47 7.609 -6.633 -9.094 1.00 0.00 C ATOM 683 O GLY A 47 7.908 -7.092 -10.195 1.00 0.00 O ATOM 0 H GLY A 47 7.321 -6.816 -6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.854 -5.267 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.636 -6.787 -8.370 1.00 0.00 H new ATOM 687 N LYS A 48 6.372 -6.353 -8.709 1.00 0.00 N ATOM 688 CA LYS A 48 5.243 -6.578 -9.595 1.00 0.00 C ATOM 689 C LYS A 48 4.189 -5.495 -9.357 1.00 0.00 C ATOM 690 O LYS A 48 4.222 -4.806 -8.338 1.00 0.00 O ATOM 691 CB LYS A 48 4.709 -8.003 -9.432 1.00 0.00 C ATOM 692 CG LYS A 48 4.015 -8.176 -8.079 1.00 0.00 C ATOM 693 CD LYS A 48 4.499 -9.445 -7.374 1.00 0.00 C ATOM 694 CE LYS A 48 3.427 -10.535 -7.411 1.00 0.00 C ATOM 695 NZ LYS A 48 4.044 -11.874 -7.289 1.00 0.00 N ATOM 0 H LYS A 48 6.127 -5.972 -7.795 1.00 0.00 H new ATOM 0 HA LYS A 48 5.554 -6.496 -10.636 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.008 -8.227 -10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.530 -8.715 -9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.214 -7.308 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.936 -8.225 -8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.408 -9.808 -7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.754 -9.216 -6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.715 -10.381 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.866 -10.470 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.302 -12.602 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.705 -12.025 -8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.559 -11.938 -6.388 1.00 0.00 H new ATOM 705 N GLN A 49 3.280 -5.378 -10.313 1.00 0.00 N ATOM 706 CA GLN A 49 2.218 -4.391 -10.220 1.00 0.00 C ATOM 707 C GLN A 49 1.108 -4.891 -9.293 1.00 0.00 C ATOM 708 O GLN A 49 0.171 -5.551 -9.741 1.00 0.00 O ATOM 709 CB GLN A 49 1.664 -4.049 -11.604 1.00 0.00 C ATOM 710 CG GLN A 49 0.383 -3.220 -11.493 1.00 0.00 C ATOM 711 CD GLN A 49 -0.226 -2.963 -12.873 1.00 0.00 C ATOM 712 OE1 GLN A 49 -1.082 -3.692 -13.348 1.00 0.00 O ATOM 713 NE2 GLN A 49 0.261 -1.889 -13.487 1.00 0.00 N ATOM 0 H GLN A 49 3.257 -5.951 -11.157 1.00 0.00 H new ATOM 0 HA GLN A 49 2.634 -3.477 -9.796 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.412 -3.495 -12.172 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.461 -4.967 -12.155 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.339 -3.742 -10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.602 -2.270 -11.006 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.977 -1.322 -13.032 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.081 -1.632 -14.413 1.00 0.00 H new ATOM 720 N LEU A 50 1.249 -4.558 -8.019 1.00 0.00 N ATOM 721 CA LEU A 50 0.270 -4.965 -7.025 1.00 0.00 C ATOM 722 C LEU A 50 -1.107 -4.430 -7.424 1.00 0.00 C ATOM 723 O LEU A 50 -1.386 -3.243 -7.260 1.00 0.00 O ATOM 724 CB LEU A 50 0.717 -4.535 -5.626 1.00 0.00 C ATOM 725 CG LEU A 50 1.784 -5.408 -4.965 1.00 0.00 C ATOM 726 CD1 LEU A 50 1.468 -5.636 -3.485 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.961 -6.726 -5.722 1.00 0.00 C ATOM 0 H LEU A 50 2.027 -4.010 -7.651 1.00 0.00 H new ATOM 0 HA LEU A 50 0.191 -6.052 -6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.096 -3.515 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.159 -4.513 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 50 2.735 -4.878 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.243 -6.260 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.433 -4.677 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.503 -6.134 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.726 -7.328 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.018 -7.272 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.266 -6.518 -6.748 1.00 0.00 H new ATOM 738 N GLU A 51 -1.930 -5.330 -7.938 1.00 0.00 N ATOM 739 CA GLU A 51 -3.271 -4.964 -8.361 1.00 0.00 C ATOM 740 C GLU A 51 -4.310 -5.807 -7.620 1.00 0.00 C ATOM 741 O GLU A 51 -3.967 -6.796 -6.975 1.00 0.00 O ATOM 742 CB GLU A 51 -3.426 -5.108 -9.876 1.00 0.00 C ATOM 743 CG GLU A 51 -4.712 -4.434 -10.362 1.00 0.00 C ATOM 744 CD GLU A 51 -4.868 -3.043 -9.745 1.00 0.00 C ATOM 745 OE1 GLU A 51 -3.862 -2.301 -9.756 1.00 0.00 O ATOM 746 OE2 GLU A 51 -5.990 -2.753 -9.277 1.00 0.00 O ATOM 0 H GLU A 51 -1.694 -6.313 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.437 -3.916 -8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.566 -4.663 -10.377 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.441 -6.164 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.697 -4.354 -11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.572 -5.051 -10.100 1.00 0.00 H new ATOM 751 N ASP A 52 -5.560 -5.385 -7.737 1.00 0.00 N ATOM 752 CA ASP A 52 -6.653 -6.088 -7.086 1.00 0.00 C ATOM 753 C ASP A 52 -6.418 -7.596 -7.194 1.00 0.00 C ATOM 754 O ASP A 52 -6.817 -8.355 -6.312 1.00 0.00 O ATOM 755 CB ASP A 52 -7.991 -5.769 -7.755 1.00 0.00 C ATOM 756 CG ASP A 52 -8.103 -6.203 -9.217 1.00 0.00 C ATOM 757 OD1 ASP A 52 -8.380 -7.403 -9.433 1.00 0.00 O ATOM 758 OD2 ASP A 52 -7.908 -5.327 -10.087 1.00 0.00 O ATOM 0 H ASP A 52 -5.841 -4.564 -8.273 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.687 -5.768 -6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.788 -6.250 -7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.162 -4.694 -7.697 1.00 0.00 H new ATOM 762 N GLY A 53 -5.771 -7.986 -8.283 1.00 0.00 N ATOM 763 CA GLY A 53 -5.480 -9.388 -8.518 1.00 0.00 C ATOM 764 C GLY A 53 -6.057 -10.264 -7.404 1.00 0.00 C ATOM 765 O GLY A 53 -7.137 -10.832 -7.551 1.00 0.00 O ATOM 0 H GLY A 53 -5.440 -7.354 -9.012 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.897 -9.693 -9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.401 -9.534 -8.578 1.00 0.00 H new ATOM 769 N ARG A 54 -5.309 -10.345 -6.313 1.00 0.00 N ATOM 770 CA ARG A 54 -5.733 -11.140 -5.173 1.00 0.00 C ATOM 771 C ARG A 54 -5.528 -10.358 -3.873 1.00 0.00 C ATOM 772 O ARG A 54 -5.589 -9.130 -3.868 1.00 0.00 O ATOM 773 CB ARG A 54 -4.952 -12.455 -5.097 1.00 0.00 C ATOM 774 CG ARG A 54 -4.745 -13.050 -6.492 1.00 0.00 C ATOM 775 CD ARG A 54 -6.038 -13.679 -7.016 1.00 0.00 C ATOM 776 NE ARG A 54 -6.265 -14.988 -6.362 1.00 0.00 N ATOM 777 CZ ARG A 54 -7.305 -15.790 -6.628 1.00 0.00 C ATOM 778 NH1 ARG A 54 -8.220 -15.422 -7.535 1.00 0.00 N ATOM 779 NH2 ARG A 54 -7.430 -16.959 -5.986 1.00 0.00 N ATOM 0 H ARG A 54 -4.412 -9.873 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.792 -11.365 -5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.985 -12.281 -4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.490 -13.166 -4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.411 -12.271 -7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.958 -13.803 -6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.880 -13.015 -6.821 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.977 -13.809 -8.097 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.587 -15.299 -5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.125 -14.531 -8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.012 -16.033 -7.737 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.734 -17.238 -5.295 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.222 -17.570 -6.188 1.00 0.00 H new ATOM 790 N THR A 55 -5.289 -11.102 -2.804 1.00 0.00 N ATOM 791 CA THR A 55 -5.075 -10.494 -1.502 1.00 0.00 C ATOM 792 C THR A 55 -3.579 -10.404 -1.195 1.00 0.00 C ATOM 793 O THR A 55 -2.747 -10.664 -2.063 1.00 0.00 O ATOM 794 CB THR A 55 -5.859 -11.304 -0.467 1.00 0.00 C ATOM 795 OG1 THR A 55 -5.101 -12.500 -0.314 1.00 0.00 O ATOM 796 CG2 THR A 55 -7.210 -11.785 -1.001 1.00 0.00 C ATOM 0 H THR A 55 -5.239 -12.121 -2.813 1.00 0.00 H new ATOM 0 HA THR A 55 -5.442 -9.468 -1.480 1.00 0.00 H new ATOM 0 HB THR A 55 -6.016 -10.697 0.425 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.310 -13.116 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.725 -12.354 -0.227 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.817 -10.925 -1.283 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.052 -12.419 -1.873 1.00 0.00 H new ATOM 804 N LEU A 56 -3.283 -10.033 0.041 1.00 0.00 N ATOM 805 CA LEU A 56 -1.901 -9.904 0.474 1.00 0.00 C ATOM 806 C LEU A 56 -1.285 -11.297 0.620 1.00 0.00 C ATOM 807 O LEU A 56 -0.156 -11.529 0.192 1.00 0.00 O ATOM 808 CB LEU A 56 -1.814 -9.056 1.744 1.00 0.00 C ATOM 809 CG LEU A 56 -2.712 -7.818 1.788 1.00 0.00 C ATOM 810 CD1 LEU A 56 -2.472 -7.012 3.066 1.00 0.00 C ATOM 811 CD2 LEU A 56 -2.533 -6.966 0.530 1.00 0.00 C ATOM 0 H LEU A 56 -3.976 -9.817 0.758 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.315 -9.373 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.060 -9.689 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.780 -8.735 1.872 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.750 -8.149 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.123 -6.138 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.691 -7.633 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.431 -6.690 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.183 -6.092 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.495 -6.642 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.794 -7.556 -0.349 1.00 0.00 H new ATOM 822 N SER A 57 -2.055 -12.189 1.227 1.00 0.00 N ATOM 823 CA SER A 57 -1.600 -13.553 1.435 1.00 0.00 C ATOM 824 C SER A 57 -1.348 -14.232 0.087 1.00 0.00 C ATOM 825 O SER A 57 -0.321 -14.881 -0.102 1.00 0.00 O ATOM 826 CB SER A 57 -2.615 -14.354 2.252 1.00 0.00 C ATOM 827 OG SER A 57 -3.935 -14.235 1.727 1.00 0.00 O ATOM 0 H SER A 57 -2.991 -11.993 1.581 1.00 0.00 H new ATOM 0 HA SER A 57 -0.667 -13.520 1.998 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.323 -15.404 2.264 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.603 -14.008 3.285 1.00 0.00 H new ATOM 0 HG SER A 57 -4.409 -13.516 2.195 1.00 0.00 H new ATOM 832 N ASP A 58 -2.304 -14.059 -0.814 1.00 0.00 N ATOM 833 CA ASP A 58 -2.199 -14.648 -2.138 1.00 0.00 C ATOM 834 C ASP A 58 -0.949 -14.107 -2.834 1.00 0.00 C ATOM 835 O ASP A 58 -0.414 -14.744 -3.741 1.00 0.00 O ATOM 836 CB ASP A 58 -3.413 -14.288 -2.999 1.00 0.00 C ATOM 837 CG ASP A 58 -4.680 -15.089 -2.698 1.00 0.00 C ATOM 838 OD1 ASP A 58 -4.571 -16.334 -2.669 1.00 0.00 O ATOM 839 OD2 ASP A 58 -5.730 -14.440 -2.504 1.00 0.00 O ATOM 0 H ASP A 58 -3.155 -13.520 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.147 -15.731 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.631 -13.228 -2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.151 -14.431 -4.047 1.00 0.00 H new ATOM 843 N TYR A 59 -0.518 -12.939 -2.383 1.00 0.00 N ATOM 844 CA TYR A 59 0.660 -12.306 -2.951 1.00 0.00 C ATOM 845 C TYR A 59 1.904 -12.614 -2.116 1.00 0.00 C ATOM 846 O TYR A 59 3.009 -12.202 -2.466 1.00 0.00 O ATOM 847 CB TYR A 59 0.392 -10.800 -2.908 1.00 0.00 C ATOM 848 CG TYR A 59 -0.487 -10.292 -4.054 1.00 0.00 C ATOM 849 CD1 TYR A 59 -1.457 -11.111 -4.594 1.00 0.00 C ATOM 850 CD2 TYR A 59 -0.309 -9.014 -4.545 1.00 0.00 C ATOM 851 CE1 TYR A 59 -2.284 -10.632 -5.672 1.00 0.00 C ATOM 852 CE2 TYR A 59 -1.135 -8.536 -5.623 1.00 0.00 C ATOM 853 CZ TYR A 59 -2.082 -9.369 -6.133 1.00 0.00 C ATOM 854 OH TYR A 59 -2.862 -8.916 -7.151 1.00 0.00 O ATOM 0 H TYR A 59 -0.963 -12.414 -1.630 1.00 0.00 H new ATOM 0 HA TYR A 59 0.841 -12.670 -3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.086 -10.553 -1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.345 -10.271 -2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.596 -12.110 -4.209 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.450 -8.373 -4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.047 -11.262 -6.104 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.006 -7.539 -6.018 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.972 -7.945 -7.072 1.00 0.00 H new ATOM 863 N ASN A 60 1.683 -13.335 -1.027 1.00 0.00 N ATOM 864 CA ASN A 60 2.773 -13.703 -0.139 1.00 0.00 C ATOM 865 C ASN A 60 3.172 -12.488 0.703 1.00 0.00 C ATOM 866 O ASN A 60 4.273 -12.441 1.248 1.00 0.00 O ATOM 867 CB ASN A 60 4.002 -14.152 -0.932 1.00 0.00 C ATOM 868 CG ASN A 60 4.795 -15.210 -0.161 1.00 0.00 C ATOM 869 OD1 ASN A 60 4.751 -16.423 -0.707 1.00 0.00 O flip ATOM 870 ND2 ASN A 60 5.406 -14.944 0.860 1.00 0.00 N flip ATOM 0 H ASN A 60 0.765 -13.674 -0.739 1.00 0.00 H new ATOM 0 HA ASN A 60 2.431 -14.523 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.690 -14.556 -1.895 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.640 -13.293 -1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.398 -13.992 1.225 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.925 -15.674 1.349 1.00 0.00 H new ATOM 876 N ILE A 61 2.254 -11.536 0.782 1.00 0.00 N ATOM 877 CA ILE A 61 2.496 -10.325 1.547 1.00 0.00 C ATOM 878 C ILE A 61 2.285 -10.617 3.034 1.00 0.00 C ATOM 879 O ILE A 61 1.180 -10.456 3.551 1.00 0.00 O ATOM 880 CB ILE A 61 1.636 -9.176 1.017 1.00 0.00 C ATOM 881 CG1 ILE A 61 2.160 -8.675 -0.330 1.00 0.00 C ATOM 882 CG2 ILE A 61 1.534 -8.048 2.047 1.00 0.00 C ATOM 883 CD1 ILE A 61 1.068 -7.929 -1.101 1.00 0.00 C ATOM 0 H ILE A 61 1.341 -11.579 0.329 1.00 0.00 H new ATOM 0 HA ILE A 61 3.529 -9.999 1.429 1.00 0.00 H new ATOM 0 HB ILE A 61 0.627 -9.553 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.012 -8.015 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.517 -9.518 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.918 -7.244 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.081 -8.430 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.531 -7.666 2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.467 -7.584 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.227 -8.599 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.731 -7.072 -0.517 1.00 0.00 H new ATOM 894 N GLN A 62 3.361 -11.040 3.680 1.00 0.00 N ATOM 895 CA GLN A 62 3.308 -11.356 5.097 1.00 0.00 C ATOM 896 C GLN A 62 3.370 -10.073 5.930 1.00 0.00 C ATOM 897 O GLN A 62 3.627 -8.994 5.396 1.00 0.00 O ATOM 898 CB GLN A 62 4.432 -12.318 5.488 1.00 0.00 C ATOM 899 CG GLN A 62 5.781 -11.599 5.524 1.00 0.00 C ATOM 900 CD GLN A 62 6.936 -12.602 5.573 1.00 0.00 C ATOM 901 OE1 GLN A 62 7.686 -12.677 6.532 1.00 0.00 O ATOM 902 NE2 GLN A 62 7.035 -13.366 4.489 1.00 0.00 N ATOM 0 H GLN A 62 4.276 -11.171 3.248 1.00 0.00 H new ATOM 0 HA GLN A 62 2.361 -11.854 5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.221 -12.752 6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.474 -13.142 4.776 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.883 -10.965 4.643 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.825 -10.945 6.395 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.373 -13.251 3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.773 -14.067 4.425 1.00 0.00 H new ATOM 909 N LYS A 63 3.131 -10.233 7.223 1.00 0.00 N ATOM 910 CA LYS A 63 3.157 -9.100 8.133 1.00 0.00 C ATOM 911 C LYS A 63 4.499 -8.378 8.004 1.00 0.00 C ATOM 912 O LYS A 63 5.453 -8.926 7.454 1.00 0.00 O ATOM 913 CB LYS A 63 2.837 -9.553 9.560 1.00 0.00 C ATOM 914 CG LYS A 63 1.364 -9.943 9.694 1.00 0.00 C ATOM 915 CD LYS A 63 0.766 -9.388 10.987 1.00 0.00 C ATOM 916 CE LYS A 63 1.140 -10.262 12.185 1.00 0.00 C ATOM 917 NZ LYS A 63 0.228 -11.422 12.287 1.00 0.00 N ATOM 0 H LYS A 63 2.919 -11.129 7.662 1.00 0.00 H new ATOM 0 HA LYS A 63 2.382 -8.381 7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.467 -10.402 9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.070 -8.751 10.261 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.805 -9.564 8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.269 -11.029 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.123 -8.371 11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.319 -9.335 10.896 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.168 -10.609 12.082 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.092 -9.673 13.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.497 -12.004 13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.749 -11.086 12.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.294 -11.993 11.420 1.00 0.00 H new ATOM 927 N GLU A 64 4.531 -7.158 8.521 1.00 0.00 N ATOM 928 CA GLU A 64 5.740 -6.354 8.469 1.00 0.00 C ATOM 929 C GLU A 64 6.304 -6.333 7.046 1.00 0.00 C ATOM 930 O GLU A 64 7.512 -6.456 6.851 1.00 0.00 O ATOM 931 CB GLU A 64 6.784 -6.870 9.463 1.00 0.00 C ATOM 932 CG GLU A 64 6.267 -6.770 10.900 1.00 0.00 C ATOM 933 CD GLU A 64 6.349 -5.331 11.413 1.00 0.00 C ATOM 934 OE1 GLU A 64 5.364 -4.594 11.197 1.00 0.00 O ATOM 935 OE2 GLU A 64 7.396 -5.001 12.011 1.00 0.00 O ATOM 0 H GLU A 64 3.738 -6.707 8.978 1.00 0.00 H new ATOM 0 HA GLU A 64 5.486 -5.333 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.030 -7.906 9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.704 -6.294 9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.235 -7.117 10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.851 -7.424 11.547 1.00 0.00 H new ATOM 940 N SER A 65 5.401 -6.176 6.089 1.00 0.00 N ATOM 941 CA SER A 65 5.792 -6.135 4.691 1.00 0.00 C ATOM 942 C SER A 65 6.167 -4.707 4.292 1.00 0.00 C ATOM 943 O SER A 65 5.848 -3.756 5.005 1.00 0.00 O ATOM 944 CB SER A 65 4.673 -6.662 3.790 1.00 0.00 C ATOM 945 OG SER A 65 4.888 -8.017 3.407 1.00 0.00 O ATOM 0 H SER A 65 4.400 -6.076 6.255 1.00 0.00 H new ATOM 0 HA SER A 65 6.661 -6.780 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.719 -6.580 4.311 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.603 -6.040 2.898 1.00 0.00 H new ATOM 0 HG SER A 65 4.765 -8.600 4.185 1.00 0.00 H new ATOM 950 N THR A 66 6.839 -4.600 3.155 1.00 0.00 N ATOM 951 CA THR A 66 7.260 -3.303 2.654 1.00 0.00 C ATOM 952 C THR A 66 6.913 -3.167 1.170 1.00 0.00 C ATOM 953 O THR A 66 7.516 -3.827 0.325 1.00 0.00 O ATOM 954 CB THR A 66 8.754 -3.146 2.945 1.00 0.00 C ATOM 955 OG1 THR A 66 8.872 -3.457 4.331 1.00 0.00 O ATOM 956 CG2 THR A 66 9.220 -1.692 2.848 1.00 0.00 C ATOM 0 H THR A 66 7.102 -5.390 2.567 1.00 0.00 H new ATOM 0 HA THR A 66 6.729 -2.494 3.156 1.00 0.00 H new ATOM 0 HB THR A 66 9.326 -3.757 2.247 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.810 -3.382 4.604 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.287 -1.637 3.063 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.033 -1.316 1.842 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.672 -1.086 3.569 1.00 0.00 H new ATOM 964 N LEU A 67 5.942 -2.307 0.899 1.00 0.00 N ATOM 965 CA LEU A 67 5.508 -2.076 -0.468 1.00 0.00 C ATOM 966 C LEU A 67 6.219 -0.840 -1.023 1.00 0.00 C ATOM 967 O LEU A 67 6.509 0.098 -0.282 1.00 0.00 O ATOM 968 CB LEU A 67 3.982 -1.990 -0.538 1.00 0.00 C ATOM 969 CG LEU A 67 3.215 -3.163 0.078 1.00 0.00 C ATOM 970 CD1 LEU A 67 3.805 -4.500 -0.375 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.164 -3.044 1.601 1.00 0.00 C ATOM 0 H LEU A 67 5.444 -1.762 1.603 1.00 0.00 H new ATOM 0 HA LEU A 67 5.787 -2.917 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.666 -1.073 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.691 -1.901 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 67 2.186 -3.127 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.243 -5.317 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.746 -4.575 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.848 -4.562 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.614 -3.889 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.178 -3.042 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.664 -2.116 1.877 1.00 0.00 H new ATOM 982 N HIS A 68 6.480 -0.879 -2.321 1.00 0.00 N ATOM 983 CA HIS A 68 7.151 0.227 -2.983 1.00 0.00 C ATOM 984 C HIS A 68 6.124 1.076 -3.733 1.00 0.00 C ATOM 985 O HIS A 68 5.419 0.576 -4.607 1.00 0.00 O ATOM 986 CB HIS A 68 8.273 -0.284 -3.890 1.00 0.00 C ATOM 987 CG HIS A 68 9.476 -0.808 -3.142 1.00 0.00 C ATOM 988 ND1 HIS A 68 10.674 -0.118 -3.073 1.00 0.00 N ATOM 989 CD2 HIS A 68 9.653 -1.960 -2.433 1.00 0.00 C ATOM 990 CE1 HIS A 68 11.527 -0.833 -2.352 1.00 0.00 C ATOM 991 NE2 HIS A 68 10.892 -1.973 -1.957 1.00 0.00 N ATOM 0 H HIS A 68 6.239 -1.659 -2.932 1.00 0.00 H new ATOM 0 HA HIS A 68 7.626 0.867 -2.239 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.880 -1.077 -4.526 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.591 0.524 -4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.911 -2.731 -2.284 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.546 -0.560 -2.119 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.302 -2.714 -1.389 1.00 0.00 H new ATOM 998 N LEU A 69 6.073 2.347 -3.364 1.00 0.00 N ATOM 999 CA LEU A 69 5.143 3.272 -3.991 1.00 0.00 C ATOM 1000 C LEU A 69 5.778 3.845 -5.260 1.00 0.00 C ATOM 1001 O LEU A 69 6.699 3.251 -5.820 1.00 0.00 O ATOM 1002 CB LEU A 69 4.695 4.341 -2.992 1.00 0.00 C ATOM 1003 CG LEU A 69 3.192 4.406 -2.710 1.00 0.00 C ATOM 1004 CD1 LEU A 69 2.874 5.492 -1.680 1.00 0.00 C ATOM 1005 CD2 LEU A 69 2.399 4.594 -4.005 1.00 0.00 C ATOM 0 H LEU A 69 6.660 2.759 -2.639 1.00 0.00 H new ATOM 0 HA LEU A 69 4.235 2.751 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.215 4.170 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.018 5.314 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 69 2.884 3.453 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.800 5.517 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.395 5.273 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.200 6.460 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.334 4.637 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.704 5.523 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.593 3.756 -4.675 1.00 0.00 H new