USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 25 ASN : amide:sc= 0.209 K(o=0.0082,f=-4) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -176:sc= -0.201 (180deg=-0.554) USER MOD Set 2.1: A 7 THR OG1 : rot 120:sc= 1.72 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.923 USER MOD Single : A 1 MET CE :methyl 155:sc=-0.00558 (180deg=-0.582) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.28 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.25) 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 14 THR OG1 : rot -63:sc= 0.001 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 27 LYS NZ :NH3+ -122:sc= 1.23 (180deg=-0.778!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -138:sc= 0.57 (180deg=-0.182) USER MOD Single : A 40 GLN : amide:sc= -0.075 X(o=-0.075,f=-0.066) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0865) USER MOD Single : A 49 GLN : amide:sc= -0.0125 K(o=-0.012,f=-0.54) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.283 USER MOD Single : A 60 ASN : amide:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0026 X(o=-0.0026,f=-0.016) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 83:sc= 0.637 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.573 43.835 -12.221 1.00 0.00 N ATOM 2 CA MET A 1 -5.038 44.621 -11.014 1.00 0.00 C ATOM 3 C MET A 1 -3.877 45.029 -10.139 1.00 0.00 C ATOM 4 O MET A 1 -2.824 44.420 -10.218 1.00 0.00 O ATOM 5 CB MET A 1 -6.157 43.800 -10.280 1.00 0.00 C ATOM 6 CG MET A 1 -5.800 42.918 -9.054 1.00 0.00 C ATOM 7 SD MET A 1 -5.028 41.342 -9.557 1.00 0.00 S ATOM 8 CE MET A 1 -5.035 40.592 -7.862 1.00 0.00 C ATOM 0 H1 MET A 1 -5.399 43.498 -12.755 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.992 44.446 -12.830 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.008 43.020 -11.908 1.00 0.00 H new ATOM 0 HA MET A 1 -5.484 45.568 -11.320 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.919 44.509 -9.957 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.620 43.150 -11.022 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.120 43.463 -8.399 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.702 42.714 -8.478 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.033 39.505 -7.945 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.148 40.916 -7.317 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.928 40.914 -7.326 1.00 0.00 H new ATOM 18 N GLN A 2 -4.071 45.997 -9.209 1.00 0.00 N ATOM 19 CA GLN A 2 -3.018 46.384 -8.267 1.00 0.00 C ATOM 20 C GLN A 2 -3.228 45.778 -6.889 1.00 0.00 C ATOM 21 O GLN A 2 -4.350 45.696 -6.425 1.00 0.00 O ATOM 22 CB GLN A 2 -2.920 47.972 -8.206 1.00 0.00 C ATOM 23 CG GLN A 2 -4.190 48.601 -7.592 1.00 0.00 C ATOM 24 CD GLN A 2 -4.048 50.165 -7.610 1.00 0.00 C ATOM 25 OE1 GLN A 2 -2.944 50.771 -7.483 1.00 0.00 O ATOM 26 NE2 GLN A 2 -5.175 50.810 -7.832 1.00 0.00 N ATOM 0 H GLN A 2 -4.943 46.514 -9.100 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.070 45.985 -8.627 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.050 48.260 -7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.769 48.366 -9.211 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.071 48.297 -8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.329 48.248 -6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.048 50.292 -7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.174 51.827 -7.906 1.00 0.00 H new ATOM 35 N ILE A 3 -2.141 45.289 -6.256 1.00 0.00 N ATOM 36 CA ILE A 3 -2.171 44.985 -4.826 1.00 0.00 C ATOM 37 C ILE A 3 -1.061 45.778 -4.114 1.00 0.00 C ATOM 38 O ILE A 3 -0.307 46.506 -4.732 1.00 0.00 O ATOM 39 CB ILE A 3 -2.080 43.470 -4.546 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.629 43.002 -4.866 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.203 42.728 -5.303 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.447 41.436 -4.717 1.00 0.00 C ATOM 0 H ILE A 3 -1.248 45.101 -6.712 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.135 45.296 -4.424 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.254 43.230 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.371 43.299 -5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.068 43.510 -4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.133 41.659 -5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.173 43.098 -4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.097 42.903 -6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.582 41.165 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.676 41.139 -3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.122 40.924 -5.403 1.00 0.00 H new ATOM 54 N PHE A 4 -1.057 45.741 -2.763 1.00 0.00 N ATOM 55 CA PHE A 4 -0.054 46.455 -1.984 1.00 0.00 C ATOM 56 C PHE A 4 0.737 45.425 -1.225 1.00 0.00 C ATOM 57 O PHE A 4 0.287 44.319 -1.000 1.00 0.00 O ATOM 58 CB PHE A 4 -0.713 47.506 -1.049 1.00 0.00 C ATOM 59 CG PHE A 4 -1.768 48.325 -1.813 1.00 0.00 C ATOM 60 CD1 PHE A 4 -3.052 48.465 -1.299 1.00 0.00 C ATOM 61 CD2 PHE A 4 -1.478 48.858 -3.066 1.00 0.00 C ATOM 62 CE1 PHE A 4 -4.059 49.171 -1.984 1.00 0.00 C ATOM 63 CE2 PHE A 4 -2.438 49.629 -3.722 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.709 49.828 -3.186 1.00 0.00 C ATOM 0 H PHE A 4 -1.737 45.225 -2.205 1.00 0.00 H new ATOM 0 HA PHE A 4 0.613 47.021 -2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.179 47.005 -0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.050 48.172 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.284 48.018 -0.344 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.518 48.676 -3.526 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.069 49.210 -1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.190 50.083 -4.670 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.417 50.475 -3.682 1.00 0.00 H new ATOM 74 N VAL A 5 2.002 45.745 -0.928 1.00 0.00 N ATOM 75 CA VAL A 5 2.745 44.979 0.042 1.00 0.00 C ATOM 76 C VAL A 5 3.238 45.911 1.136 1.00 0.00 C ATOM 77 O VAL A 5 3.710 47.041 0.894 1.00 0.00 O ATOM 78 CB VAL A 5 3.875 44.097 -0.578 1.00 0.00 C ATOM 79 CG1 VAL A 5 5.204 43.992 0.192 1.00 0.00 C ATOM 80 CG2 VAL A 5 3.308 42.674 -0.785 1.00 0.00 C ATOM 0 H VAL A 5 2.515 46.521 -1.347 1.00 0.00 H new ATOM 0 HA VAL A 5 2.071 44.245 0.484 1.00 0.00 H new ATOM 0 HB VAL A 5 4.149 44.609 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.892 43.349 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.642 44.984 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.020 43.568 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.078 42.035 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.994 42.264 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.452 42.718 -1.458 1.00 0.00 H new ATOM 90 N LYS A 6 3.092 45.416 2.396 1.00 0.00 N ATOM 91 CA LYS A 6 3.790 46.053 3.524 1.00 0.00 C ATOM 92 C LYS A 6 5.114 45.361 3.796 1.00 0.00 C ATOM 93 O LYS A 6 5.106 44.154 3.887 1.00 0.00 O ATOM 94 CB LYS A 6 2.905 45.974 4.753 1.00 0.00 C ATOM 95 CG LYS A 6 3.521 46.543 6.048 1.00 0.00 C ATOM 96 CD LYS A 6 3.748 48.055 6.003 1.00 0.00 C ATOM 97 CE LYS A 6 2.568 48.998 5.833 1.00 0.00 C ATOM 98 NZ LYS A 6 1.729 49.057 7.019 1.00 0.00 N ATOM 0 H LYS A 6 2.518 44.609 2.641 1.00 0.00 H new ATOM 0 HA LYS A 6 3.996 47.095 3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.977 46.508 4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.641 44.930 4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.866 46.307 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.473 46.046 6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.255 48.334 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.442 48.254 5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.936 49.998 5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.968 48.675 4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.939 49.713 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.355 48.109 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.293 49.391 7.827 1.00 0.00 H new ATOM 112 N THR A 7 6.263 46.088 3.824 1.00 0.00 N ATOM 113 CA THR A 7 7.613 45.456 4.058 1.00 0.00 C ATOM 114 C THR A 7 7.951 45.492 5.565 1.00 0.00 C ATOM 115 O THR A 7 7.294 46.169 6.374 1.00 0.00 O ATOM 116 CB THR A 7 8.683 46.184 3.244 1.00 0.00 C ATOM 117 OG1 THR A 7 8.648 47.567 3.543 1.00 0.00 O ATOM 118 CG2 THR A 7 8.480 45.950 1.694 1.00 0.00 C ATOM 0 H THR A 7 6.294 47.099 3.691 1.00 0.00 H new ATOM 0 HA THR A 7 7.586 44.416 3.732 1.00 0.00 H new ATOM 0 HB THR A 7 9.659 45.780 3.515 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.514 47.845 3.907 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.256 46.480 1.141 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.543 44.884 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.501 46.325 1.395 1.00 0.00 H new ATOM 126 N LEU A 8 9.027 44.768 5.950 1.00 0.00 N ATOM 127 CA LEU A 8 9.560 44.677 7.374 1.00 0.00 C ATOM 128 C LEU A 8 10.004 46.046 7.876 1.00 0.00 C ATOM 129 O LEU A 8 9.846 46.384 9.047 1.00 0.00 O ATOM 130 CB LEU A 8 10.775 43.727 7.569 1.00 0.00 C ATOM 131 CG LEU A 8 10.313 42.204 7.500 1.00 0.00 C ATOM 132 CD1 LEU A 8 11.594 41.422 7.579 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.419 41.861 8.743 1.00 0.00 C ATOM 0 H LEU A 8 9.573 44.215 5.289 1.00 0.00 H new ATOM 0 HA LEU A 8 8.717 44.273 7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.522 43.921 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.248 43.926 8.531 1.00 0.00 H new ATOM 0 HG LEU A 8 9.734 41.985 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.372 40.356 7.538 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.237 41.691 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.103 41.651 8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.106 40.818 8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.990 42.022 9.657 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.539 42.504 8.747 1.00 0.00 H new ATOM 145 N THR A 9 10.627 46.758 6.954 1.00 0.00 N ATOM 146 CA THR A 9 11.129 48.107 7.106 1.00 0.00 C ATOM 147 C THR A 9 10.028 49.138 7.213 1.00 0.00 C ATOM 148 O THR A 9 10.280 50.287 7.486 1.00 0.00 O ATOM 149 CB THR A 9 11.895 48.386 5.805 1.00 0.00 C ATOM 150 OG1 THR A 9 11.199 48.098 4.596 1.00 0.00 O ATOM 151 CG2 THR A 9 13.142 47.476 5.733 1.00 0.00 C ATOM 0 H THR A 9 10.806 46.384 6.022 1.00 0.00 H new ATOM 0 HA THR A 9 11.724 48.178 8.017 1.00 0.00 H new ATOM 0 HB THR A 9 12.094 49.456 5.858 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.772 48.311 3.830 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.685 47.675 4.809 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.790 47.679 6.586 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.832 46.431 5.754 1.00 0.00 H new ATOM 159 N GLY A 10 8.758 48.759 6.985 1.00 0.00 N ATOM 160 CA GLY A 10 7.607 49.616 7.095 1.00 0.00 C ATOM 161 C GLY A 10 7.281 50.485 5.844 1.00 0.00 C ATOM 162 O GLY A 10 6.562 51.507 6.012 1.00 0.00 O ATOM 0 H GLY A 10 8.516 47.807 6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.738 48.997 7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.754 50.281 7.946 1.00 0.00 H new ATOM 166 N LYS A 11 7.666 50.037 4.595 1.00 0.00 N ATOM 167 CA LYS A 11 7.268 50.725 3.370 1.00 0.00 C ATOM 168 C LYS A 11 6.009 50.010 2.759 1.00 0.00 C ATOM 169 O LYS A 11 5.930 48.790 2.674 1.00 0.00 O ATOM 170 CB LYS A 11 8.474 50.828 2.346 1.00 0.00 C ATOM 171 CG LYS A 11 9.809 51.557 2.849 1.00 0.00 C ATOM 172 CD LYS A 11 9.615 52.992 3.453 1.00 0.00 C ATOM 173 CE LYS A 11 11.024 53.438 3.991 1.00 0.00 C ATOM 174 NZ LYS A 11 10.832 54.527 4.967 1.00 0.00 N ATOM 0 H LYS A 11 8.244 49.211 4.442 1.00 0.00 H new ATOM 0 HA LYS A 11 6.991 51.753 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.739 49.817 2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.118 51.352 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.283 50.927 3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.501 51.627 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.250 53.686 2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.878 52.980 4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.534 52.596 4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.654 53.775 3.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.756 54.833 5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.360 55.329 4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.244 54.188 5.755 1.00 0.00 H new ATOM 188 N THR A 12 4.993 50.820 2.381 1.00 0.00 N ATOM 189 CA THR A 12 3.846 50.310 1.589 1.00 0.00 C ATOM 190 C THR A 12 4.164 50.499 0.126 1.00 0.00 C ATOM 191 O THR A 12 4.261 51.619 -0.393 1.00 0.00 O ATOM 192 CB THR A 12 2.507 51.040 1.848 1.00 0.00 C ATOM 193 OG1 THR A 12 2.173 50.934 3.222 1.00 0.00 O ATOM 194 CG2 THR A 12 1.332 50.361 1.019 1.00 0.00 C ATOM 0 H THR A 12 4.942 51.813 2.606 1.00 0.00 H new ATOM 0 HA THR A 12 3.716 49.269 1.886 1.00 0.00 H new ATOM 0 HB THR A 12 2.623 52.081 1.548 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.326 51.397 3.389 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.398 50.888 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.562 50.411 -0.045 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.230 49.318 1.320 1.00 0.00 H new ATOM 202 N ILE A 13 4.384 49.332 -0.516 1.00 0.00 N ATOM 203 CA ILE A 13 4.829 49.227 -1.884 1.00 0.00 C ATOM 204 C ILE A 13 3.705 48.699 -2.809 1.00 0.00 C ATOM 205 O ILE A 13 2.839 47.889 -2.380 1.00 0.00 O ATOM 206 CB ILE A 13 6.146 48.456 -2.090 1.00 0.00 C ATOM 207 CG1 ILE A 13 6.031 47.022 -1.564 1.00 0.00 C ATOM 208 CG2 ILE A 13 7.336 49.234 -1.396 1.00 0.00 C ATOM 209 CD1 ILE A 13 7.314 46.085 -1.918 1.00 0.00 C ATOM 0 H ILE A 13 4.248 48.426 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 13 5.067 50.250 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 13 6.354 48.390 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.903 47.051 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.133 46.564 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.266 48.685 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.427 50.227 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.136 49.327 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.158 45.086 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.432 46.023 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.213 46.518 -1.479 1.00 0.00 H new ATOM 221 N THR A 14 3.736 49.125 -4.126 1.00 0.00 N ATOM 222 CA THR A 14 2.579 48.900 -4.985 1.00 0.00 C ATOM 223 C THR A 14 2.947 48.038 -6.208 1.00 0.00 C ATOM 224 O THR A 14 3.848 48.331 -6.964 1.00 0.00 O ATOM 225 CB THR A 14 1.899 50.179 -5.506 1.00 0.00 C ATOM 226 OG1 THR A 14 1.308 50.885 -4.425 1.00 0.00 O ATOM 227 CG2 THR A 14 0.672 49.814 -6.393 1.00 0.00 C ATOM 0 H THR A 14 4.523 49.600 -4.569 1.00 0.00 H new ATOM 0 HA THR A 14 1.870 48.389 -4.333 1.00 0.00 H new ATOM 0 HB THR A 14 2.662 50.748 -6.037 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.610 50.332 -4.016 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.200 50.727 -6.755 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.002 49.215 -7.242 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.046 49.244 -5.804 1.00 0.00 H new ATOM 235 N LEU A 15 2.215 46.909 -6.286 1.00 0.00 N ATOM 236 CA LEU A 15 2.581 45.774 -7.109 1.00 0.00 C ATOM 237 C LEU A 15 1.418 45.600 -8.112 1.00 0.00 C ATOM 238 O LEU A 15 0.268 45.407 -7.730 1.00 0.00 O ATOM 239 CB LEU A 15 2.801 44.460 -6.250 1.00 0.00 C ATOM 240 CG LEU A 15 3.791 44.705 -5.086 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.928 43.330 -4.347 1.00 0.00 C ATOM 242 CD2 LEU A 15 5.165 45.242 -5.597 1.00 0.00 C ATOM 0 H LEU A 15 1.347 46.773 -5.768 1.00 0.00 H new ATOM 0 HA LEU A 15 3.531 45.947 -7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.845 44.120 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.180 43.664 -6.891 1.00 0.00 H new ATOM 0 HG LEU A 15 3.425 45.476 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.617 43.434 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.952 43.017 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.310 42.581 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.832 45.401 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.610 44.515 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.014 46.185 -6.122 1.00 0.00 H new ATOM 254 N GLU A 16 1.748 45.501 -9.378 1.00 0.00 N ATOM 255 CA GLU A 16 0.731 45.321 -10.433 1.00 0.00 C ATOM 256 C GLU A 16 0.842 43.895 -10.961 1.00 0.00 C ATOM 257 O GLU A 16 1.908 43.437 -11.284 1.00 0.00 O ATOM 258 CB GLU A 16 0.995 46.321 -11.553 1.00 0.00 C ATOM 259 CG GLU A 16 1.069 47.794 -11.025 1.00 0.00 C ATOM 260 CD GLU A 16 0.971 48.745 -12.247 1.00 0.00 C ATOM 261 OE1 GLU A 16 -0.107 49.306 -12.509 1.00 0.00 O ATOM 262 OE2 GLU A 16 1.987 48.881 -12.929 1.00 0.00 O ATOM 0 H GLU A 16 2.708 45.540 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.272 45.490 -10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.931 46.068 -12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.205 46.244 -12.300 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.257 47.989 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.002 47.960 -10.487 1.00 0.00 H new ATOM 269 N VAL A 17 -0.277 43.208 -10.970 1.00 0.00 N ATOM 270 CA VAL A 17 -0.348 41.694 -11.050 1.00 0.00 C ATOM 271 C VAL A 17 -1.693 41.283 -11.679 1.00 0.00 C ATOM 272 O VAL A 17 -2.562 42.128 -11.832 1.00 0.00 O ATOM 273 CB VAL A 17 -0.238 40.967 -9.679 1.00 0.00 C ATOM 274 CG1 VAL A 17 1.107 41.320 -8.987 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.451 41.246 -8.730 1.00 0.00 C ATOM 0 H VAL A 17 -1.195 43.651 -10.923 1.00 0.00 H new ATOM 0 HA VAL A 17 0.512 41.394 -11.649 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.263 39.898 -9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.170 40.804 -8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.936 41.008 -9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.161 42.396 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.310 40.709 -7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.518 42.315 -8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.371 40.908 -9.207 1.00 0.00 H new ATOM 285 N GLU A 18 -1.821 40.013 -12.116 1.00 0.00 N ATOM 286 CA GLU A 18 -3.050 39.449 -12.656 1.00 0.00 C ATOM 287 C GLU A 18 -3.418 38.405 -11.613 1.00 0.00 C ATOM 288 O GLU A 18 -2.532 37.889 -10.906 1.00 0.00 O ATOM 289 CB GLU A 18 -2.762 38.730 -14.036 1.00 0.00 C ATOM 290 CG GLU A 18 -2.603 39.704 -15.209 1.00 0.00 C ATOM 291 CD GLU A 18 -2.247 38.910 -16.496 1.00 0.00 C ATOM 292 OE1 GLU A 18 -3.154 38.614 -17.299 1.00 0.00 O ATOM 293 OE2 GLU A 18 -1.113 38.481 -16.540 1.00 0.00 O ATOM 0 H GLU A 18 -1.049 39.346 -12.098 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.825 40.194 -12.838 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.855 38.133 -13.944 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.577 38.040 -14.255 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.526 40.264 -15.358 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.821 40.431 -14.989 1.00 0.00 H new ATOM 300 N PRO A 19 -4.658 38.059 -11.429 1.00 0.00 N ATOM 301 CA PRO A 19 -4.991 37.092 -10.342 1.00 0.00 C ATOM 302 C PRO A 19 -4.769 35.652 -10.732 1.00 0.00 C ATOM 303 O PRO A 19 -5.036 34.733 -9.953 1.00 0.00 O ATOM 304 CB PRO A 19 -6.471 37.403 -10.067 1.00 0.00 C ATOM 305 CG PRO A 19 -7.001 37.800 -11.474 1.00 0.00 C ATOM 306 CD PRO A 19 -5.846 38.712 -11.966 1.00 0.00 C ATOM 0 HA PRO A 19 -4.350 37.205 -9.468 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.999 36.539 -9.664 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.588 38.212 -9.346 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.150 36.935 -12.120 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.953 38.328 -11.424 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.816 38.773 -13.054 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.950 39.731 -11.593 1.00 0.00 H new ATOM 314 N SER A 20 -4.332 35.401 -11.978 1.00 0.00 N ATOM 315 CA SER A 20 -3.945 34.055 -12.402 1.00 0.00 C ATOM 316 C SER A 20 -2.450 33.826 -12.137 1.00 0.00 C ATOM 317 O SER A 20 -1.997 32.678 -12.125 1.00 0.00 O ATOM 318 CB SER A 20 -4.402 33.764 -13.872 1.00 0.00 C ATOM 319 OG SER A 20 -4.156 34.921 -14.659 1.00 0.00 O ATOM 0 H SER A 20 -4.240 36.113 -12.703 1.00 0.00 H new ATOM 0 HA SER A 20 -4.473 33.315 -11.800 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.859 32.909 -14.275 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.461 33.508 -13.896 1.00 0.00 H new ATOM 0 HG SER A 20 -4.436 34.754 -15.583 1.00 0.00 H new ATOM 325 N ASP A 21 -1.678 34.922 -11.916 1.00 0.00 N ATOM 326 CA ASP A 21 -0.279 34.828 -11.530 1.00 0.00 C ATOM 327 C ASP A 21 -0.103 33.989 -10.284 1.00 0.00 C ATOM 328 O ASP A 21 -0.899 34.111 -9.346 1.00 0.00 O ATOM 329 CB ASP A 21 0.198 36.239 -11.188 1.00 0.00 C ATOM 330 CG ASP A 21 0.197 37.126 -12.487 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.028 36.622 -13.618 1.00 0.00 O ATOM 332 OD2 ASP A 21 0.490 38.297 -12.351 1.00 0.00 O ATOM 0 H ASP A 21 -2.021 35.879 -12.004 1.00 0.00 H new ATOM 0 HA ASP A 21 0.279 34.375 -12.349 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.453 36.681 -10.433 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.201 36.202 -10.762 1.00 0.00 H new ATOM 337 N THR A 22 0.964 33.121 -10.211 1.00 0.00 N ATOM 338 CA THR A 22 1.268 32.384 -9.002 1.00 0.00 C ATOM 339 C THR A 22 1.965 33.263 -7.972 1.00 0.00 C ATOM 340 O THR A 22 2.646 34.226 -8.359 1.00 0.00 O ATOM 341 CB THR A 22 2.227 31.207 -9.238 1.00 0.00 C ATOM 342 OG1 THR A 22 3.462 31.570 -9.897 1.00 0.00 O ATOM 343 CG2 THR A 22 1.603 30.098 -10.131 1.00 0.00 C ATOM 0 H THR A 22 1.602 32.939 -10.986 1.00 0.00 H new ATOM 0 HA THR A 22 0.298 32.028 -8.655 1.00 0.00 H new ATOM 0 HB THR A 22 2.425 30.856 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.019 30.772 -10.010 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.323 29.291 -10.265 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.705 29.707 -9.652 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.342 30.517 -11.103 1.00 0.00 H new ATOM 351 N ILE A 23 1.980 32.827 -6.685 1.00 0.00 N ATOM 352 CA ILE A 23 2.696 33.536 -5.653 1.00 0.00 C ATOM 353 C ILE A 23 4.235 33.496 -5.855 1.00 0.00 C ATOM 354 O ILE A 23 4.943 34.450 -5.546 1.00 0.00 O ATOM 355 CB ILE A 23 2.233 33.039 -4.256 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.680 33.213 -4.197 1.00 0.00 C ATOM 357 CG2 ILE A 23 2.952 33.815 -3.148 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.102 34.610 -4.548 1.00 0.00 C ATOM 0 H ILE A 23 1.498 31.988 -6.363 1.00 0.00 H new ATOM 0 HA ILE A 23 2.447 34.595 -5.721 1.00 0.00 H new ATOM 0 HB ILE A 23 2.485 31.990 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.234 32.485 -4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.351 32.956 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.617 33.455 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.028 33.666 -3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.724 34.877 -3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.985 34.585 -4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.501 35.353 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.383 34.874 -5.568 1.00 0.00 H new ATOM 370 N GLU A 24 4.769 32.379 -6.337 1.00 0.00 N ATOM 371 CA GLU A 24 6.157 32.296 -6.798 1.00 0.00 C ATOM 372 C GLU A 24 6.548 33.292 -7.932 1.00 0.00 C ATOM 373 O GLU A 24 7.677 33.866 -7.846 1.00 0.00 O ATOM 374 CB GLU A 24 6.387 30.811 -7.249 1.00 0.00 C ATOM 375 CG GLU A 24 7.796 30.603 -7.846 1.00 0.00 C ATOM 376 CD GLU A 24 7.932 29.185 -8.525 1.00 0.00 C ATOM 377 OE1 GLU A 24 7.192 28.870 -9.478 1.00 0.00 O ATOM 378 OE2 GLU A 24 8.796 28.434 -8.098 1.00 0.00 O ATOM 0 H GLU A 24 4.254 31.503 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 24 6.805 32.592 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.253 30.147 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.635 30.535 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.999 31.381 -8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.544 30.705 -7.060 1.00 0.00 H new ATOM 385 N ASN A 25 5.633 33.609 -8.912 1.00 0.00 N ATOM 386 CA ASN A 25 5.836 34.676 -9.894 1.00 0.00 C ATOM 387 C ASN A 25 5.760 36.035 -9.188 1.00 0.00 C ATOM 388 O ASN A 25 6.534 36.928 -9.473 1.00 0.00 O ATOM 389 CB ASN A 25 4.736 34.469 -10.971 1.00 0.00 C ATOM 390 CG ASN A 25 4.723 35.459 -12.109 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.121 36.549 -11.980 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.342 35.147 -13.207 1.00 0.00 N ATOM 0 H ASN A 25 4.745 33.119 -9.022 1.00 0.00 H new ATOM 0 HA ASN A 25 6.815 34.649 -10.372 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.849 33.469 -11.389 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.764 34.500 -10.478 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.346 35.797 -13.993 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.824 34.252 -13.284 1.00 0.00 H new ATOM 399 N VAL A 26 4.901 36.053 -8.161 1.00 0.00 N ATOM 400 CA VAL A 26 4.673 37.269 -7.339 1.00 0.00 C ATOM 401 C VAL A 26 5.988 37.673 -6.629 1.00 0.00 C ATOM 402 O VAL A 26 6.309 38.845 -6.661 1.00 0.00 O ATOM 403 CB VAL A 26 3.411 37.251 -6.427 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.409 38.390 -5.349 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.162 37.478 -7.372 1.00 0.00 C ATOM 0 H VAL A 26 4.349 35.245 -7.872 1.00 0.00 H new ATOM 0 HA VAL A 26 4.403 38.069 -8.029 1.00 0.00 H new ATOM 0 HB VAL A 26 3.389 36.301 -5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.503 38.320 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.281 38.282 -4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.442 39.360 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.249 37.473 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.259 38.438 -7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.116 36.679 -8.112 1.00 0.00 H new ATOM 415 N LYS A 27 6.792 36.730 -6.051 1.00 0.00 N ATOM 416 CA LYS A 27 8.115 37.032 -5.442 1.00 0.00 C ATOM 417 C LYS A 27 9.152 37.504 -6.474 1.00 0.00 C ATOM 418 O LYS A 27 9.963 38.362 -6.120 1.00 0.00 O ATOM 419 CB LYS A 27 8.734 35.768 -4.706 1.00 0.00 C ATOM 420 CG LYS A 27 7.789 35.269 -3.609 1.00 0.00 C ATOM 421 CD LYS A 27 8.302 34.015 -2.884 1.00 0.00 C ATOM 422 CE LYS A 27 7.512 33.947 -1.561 1.00 0.00 C ATOM 423 NZ LYS A 27 7.958 32.666 -0.975 1.00 0.00 N ATOM 0 H LYS A 27 6.537 35.744 -5.997 1.00 0.00 H new ATOM 0 HA LYS A 27 7.913 37.831 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.915 34.972 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.699 36.029 -4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.639 36.065 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.816 35.052 -4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.138 33.120 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.374 34.081 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.741 34.791 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.436 33.960 -1.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.134 32.051 -0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.620 32.198 -1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.434 32.846 -0.068 1.00 0.00 H new ATOM 437 N ALA A 28 9.027 37.045 -7.740 1.00 0.00 N ATOM 438 CA ALA A 28 9.848 37.563 -8.868 1.00 0.00 C ATOM 439 C ALA A 28 9.482 39.036 -9.241 1.00 0.00 C ATOM 440 O ALA A 28 10.326 39.846 -9.638 1.00 0.00 O ATOM 441 CB ALA A 28 9.779 36.601 -10.136 1.00 0.00 C ATOM 0 H ALA A 28 8.366 36.317 -8.010 1.00 0.00 H new ATOM 0 HA ALA A 28 10.882 37.575 -8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.391 37.013 -10.939 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.153 35.614 -9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.746 36.517 -10.474 1.00 0.00 H new ATOM 447 N LYS A 29 8.155 39.407 -9.211 1.00 0.00 N ATOM 448 CA LYS A 29 7.690 40.814 -9.406 1.00 0.00 C ATOM 449 C LYS A 29 8.198 41.763 -8.303 1.00 0.00 C ATOM 450 O LYS A 29 8.454 42.937 -8.561 1.00 0.00 O ATOM 451 CB LYS A 29 6.101 40.902 -9.523 1.00 0.00 C ATOM 452 CG LYS A 29 5.593 40.819 -11.013 1.00 0.00 C ATOM 453 CD LYS A 29 5.789 39.420 -11.603 1.00 0.00 C ATOM 454 CE LYS A 29 5.097 39.296 -13.001 1.00 0.00 C ATOM 455 NZ LYS A 29 3.619 39.316 -12.727 1.00 0.00 N ATOM 0 H LYS A 29 7.396 38.745 -9.053 1.00 0.00 H new ATOM 0 HA LYS A 29 8.124 41.144 -10.350 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.653 40.093 -8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.760 41.837 -9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.537 41.085 -11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.129 41.548 -11.621 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.854 39.209 -11.701 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.378 38.674 -10.923 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.385 40.119 -13.655 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.390 38.373 -13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.099 39.168 -13.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.380 38.558 -12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.354 40.235 -12.320 1.00 0.00 H new ATOM 469 N ILE A 30 8.342 41.273 -7.099 1.00 0.00 N ATOM 470 CA ILE A 30 8.922 42.088 -5.987 1.00 0.00 C ATOM 471 C ILE A 30 10.426 42.359 -6.220 1.00 0.00 C ATOM 472 O ILE A 30 10.890 43.458 -5.945 1.00 0.00 O ATOM 473 CB ILE A 30 8.583 41.438 -4.612 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.048 41.495 -4.390 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.289 42.230 -3.448 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.514 40.876 -3.075 1.00 0.00 C ATOM 0 H ILE A 30 8.077 40.324 -6.834 1.00 0.00 H new ATOM 0 HA ILE A 30 8.461 43.075 -5.972 1.00 0.00 H new ATOM 0 HB ILE A 30 8.932 40.405 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.737 42.539 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.564 40.990 -5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.045 41.767 -2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.369 42.209 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.943 43.264 -3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.429 40.979 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.780 39.820 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.956 41.393 -2.224 1.00 0.00 H new ATOM 488 N GLN A 31 11.162 41.373 -6.807 1.00 0.00 N ATOM 489 CA GLN A 31 12.565 41.585 -7.316 1.00 0.00 C ATOM 490 C GLN A 31 12.614 42.645 -8.400 1.00 0.00 C ATOM 491 O GLN A 31 13.448 43.527 -8.277 1.00 0.00 O ATOM 492 CB GLN A 31 13.245 40.264 -7.786 1.00 0.00 C ATOM 493 CG GLN A 31 14.737 40.430 -8.350 1.00 0.00 C ATOM 494 CD GLN A 31 15.699 39.246 -8.105 1.00 0.00 C ATOM 495 OE1 GLN A 31 15.704 38.306 -8.919 1.00 0.00 O ATOM 496 NE2 GLN A 31 16.628 39.269 -7.175 1.00 0.00 N ATOM 0 H GLN A 31 10.816 40.423 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 31 13.144 41.948 -6.466 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.265 39.566 -6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.628 39.812 -8.563 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.679 40.606 -9.424 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.174 41.323 -7.904 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.649 40.028 -6.494 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.328 38.528 -7.135 1.00 0.00 H new ATOM 505 N ASP A 32 11.694 42.657 -9.385 1.00 0.00 N ATOM 506 CA ASP A 32 11.569 43.784 -10.326 1.00 0.00 C ATOM 507 C ASP A 32 11.348 45.058 -9.562 1.00 0.00 C ATOM 508 O ASP A 32 12.046 46.036 -9.827 1.00 0.00 O ATOM 509 CB ASP A 32 10.334 43.681 -11.266 1.00 0.00 C ATOM 510 CG ASP A 32 10.511 42.584 -12.333 1.00 0.00 C ATOM 511 OD1 ASP A 32 11.567 42.003 -12.478 1.00 0.00 O ATOM 512 OD2 ASP A 32 9.546 42.297 -12.993 1.00 0.00 O ATOM 0 H ASP A 32 11.029 41.901 -9.548 1.00 0.00 H new ATOM 0 HA ASP A 32 12.489 43.765 -10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.444 43.470 -10.673 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.170 44.641 -11.756 1.00 0.00 H new ATOM 517 N LYS A 33 10.405 45.108 -8.619 1.00 0.00 N ATOM 518 CA LYS A 33 10.073 46.400 -8.027 1.00 0.00 C ATOM 519 C LYS A 33 10.962 46.857 -6.896 1.00 0.00 C ATOM 520 O LYS A 33 11.335 48.035 -6.895 1.00 0.00 O ATOM 521 CB LYS A 33 8.560 46.447 -7.690 1.00 0.00 C ATOM 522 CG LYS A 33 7.626 46.889 -8.826 1.00 0.00 C ATOM 523 CD LYS A 33 7.680 48.414 -8.935 1.00 0.00 C ATOM 524 CE LYS A 33 6.522 49.035 -9.851 1.00 0.00 C ATOM 525 NZ LYS A 33 5.219 49.188 -9.154 1.00 0.00 N ATOM 0 H LYS A 33 9.881 44.309 -8.263 1.00 0.00 H new ATOM 0 HA LYS A 33 10.289 47.149 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.252 45.455 -7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.418 47.123 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.931 46.431 -9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.606 46.560 -8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.610 48.844 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.648 48.706 -9.341 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.844 50.010 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.383 48.398 -10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.449 48.896 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.209 48.592 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.085 50.183 -8.883 1.00 0.00 H new ATOM 539 N GLU A 34 11.425 45.964 -5.988 1.00 0.00 N ATOM 540 CA GLU A 34 12.199 46.368 -4.836 1.00 0.00 C ATOM 541 C GLU A 34 13.614 45.708 -4.655 1.00 0.00 C ATOM 542 O GLU A 34 14.273 45.862 -3.600 1.00 0.00 O ATOM 543 CB GLU A 34 11.340 46.139 -3.558 1.00 0.00 C ATOM 544 CG GLU A 34 10.316 47.295 -3.376 1.00 0.00 C ATOM 545 CD GLU A 34 10.922 48.733 -3.423 1.00 0.00 C ATOM 546 OE1 GLU A 34 11.758 49.017 -2.547 1.00 0.00 O ATOM 547 OE2 GLU A 34 10.423 49.540 -4.256 1.00 0.00 O ATOM 0 H GLU A 34 11.264 44.959 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 34 12.431 47.419 -5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.814 45.187 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.988 46.078 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.557 47.212 -4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.809 47.163 -2.420 1.00 0.00 H new ATOM 554 N GLY A 35 14.028 45.000 -5.713 1.00 0.00 N ATOM 555 CA GLY A 35 15.352 44.375 -5.807 1.00 0.00 C ATOM 556 C GLY A 35 15.601 43.283 -4.795 1.00 0.00 C ATOM 557 O GLY A 35 16.754 42.985 -4.504 1.00 0.00 O ATOM 0 H GLY A 35 13.447 44.844 -6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.474 43.961 -6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.113 45.146 -5.686 1.00 0.00 H new ATOM 561 N ILE A 36 14.545 42.625 -4.246 1.00 0.00 N ATOM 562 CA ILE A 36 14.747 41.691 -3.176 1.00 0.00 C ATOM 563 C ILE A 36 14.942 40.295 -3.740 1.00 0.00 C ATOM 564 O ILE A 36 14.154 39.882 -4.491 1.00 0.00 O ATOM 565 CB ILE A 36 13.524 41.757 -2.197 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.478 43.188 -1.603 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.802 40.719 -1.033 1.00 0.00 C ATOM 568 CD1 ILE A 36 12.098 43.396 -0.852 1.00 0.00 C ATOM 0 H ILE A 36 13.575 42.740 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 36 15.646 41.948 -2.616 1.00 0.00 H new ATOM 0 HB ILE A 36 12.584 41.528 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.308 43.335 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.589 43.928 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.972 40.733 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.903 39.719 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.723 40.990 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.060 44.401 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.277 43.266 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.006 42.664 -0.050 1.00 0.00 H new ATOM 580 N PRO A 37 15.953 39.554 -3.372 1.00 0.00 N ATOM 581 CA PRO A 37 16.034 38.059 -3.671 1.00 0.00 C ATOM 582 C PRO A 37 14.813 37.122 -3.294 1.00 0.00 C ATOM 583 O PRO A 37 14.406 37.167 -2.174 1.00 0.00 O ATOM 584 CB PRO A 37 17.339 37.631 -2.941 1.00 0.00 C ATOM 585 CG PRO A 37 17.455 38.625 -1.841 1.00 0.00 C ATOM 586 CD PRO A 37 17.130 39.939 -2.565 1.00 0.00 C ATOM 0 HA PRO A 37 16.016 37.924 -4.752 1.00 0.00 H new ATOM 0 HB2 PRO A 37 17.271 36.613 -2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.202 37.664 -3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 37 16.755 38.421 -1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.454 38.636 -1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 37 16.902 40.745 -1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.958 40.280 -3.186 1.00 0.00 H new ATOM 594 N PRO A 38 14.211 36.395 -4.227 1.00 0.00 N ATOM 595 CA PRO A 38 12.922 35.614 -3.924 1.00 0.00 C ATOM 596 C PRO A 38 12.996 34.503 -2.908 1.00 0.00 C ATOM 597 O PRO A 38 12.040 34.326 -2.152 1.00 0.00 O ATOM 598 CB PRO A 38 12.529 35.021 -5.324 1.00 0.00 C ATOM 599 CG PRO A 38 13.034 36.101 -6.267 1.00 0.00 C ATOM 600 CD PRO A 38 14.312 36.641 -5.674 1.00 0.00 C ATOM 0 HA PRO A 38 12.208 36.294 -3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.006 34.059 -5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.454 34.867 -5.416 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.213 35.692 -7.261 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.294 36.894 -6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.183 36.140 -6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.423 37.705 -5.884 1.00 0.00 H new ATOM 608 N ASP A 39 14.149 33.752 -2.843 1.00 0.00 N ATOM 609 CA ASP A 39 14.530 32.891 -1.694 1.00 0.00 C ATOM 610 C ASP A 39 14.262 33.498 -0.302 1.00 0.00 C ATOM 611 O ASP A 39 13.824 32.779 0.643 1.00 0.00 O ATOM 612 CB ASP A 39 16.061 32.379 -1.705 1.00 0.00 C ATOM 613 CG ASP A 39 16.380 31.372 -2.851 1.00 0.00 C ATOM 614 OD1 ASP A 39 17.561 31.117 -3.095 1.00 0.00 O ATOM 615 OD2 ASP A 39 15.424 30.833 -3.401 1.00 0.00 O ATOM 0 H ASP A 39 14.835 33.736 -3.598 1.00 0.00 H new ATOM 0 HA ASP A 39 13.862 32.045 -1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.722 33.241 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.283 31.908 -0.748 1.00 0.00 H new ATOM 620 N GLN A 40 14.505 34.819 -0.034 1.00 0.00 N ATOM 621 CA GLN A 40 14.350 35.373 1.300 1.00 0.00 C ATOM 622 C GLN A 40 12.845 35.607 1.706 1.00 0.00 C ATOM 623 O GLN A 40 12.555 35.945 2.872 1.00 0.00 O ATOM 624 CB GLN A 40 15.105 36.793 1.416 1.00 0.00 C ATOM 625 CG GLN A 40 16.643 36.726 1.117 1.00 0.00 C ATOM 626 CD GLN A 40 17.340 35.589 1.902 1.00 0.00 C ATOM 627 OE1 GLN A 40 18.044 34.711 1.335 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.140 35.589 3.149 1.00 0.00 N ATOM 0 H GLN A 40 14.806 35.495 -0.736 1.00 0.00 H new ATOM 0 HA GLN A 40 14.784 34.633 1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.642 37.496 0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.958 37.190 2.421 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.798 36.576 0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.104 37.679 1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.564 36.316 3.573 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.554 34.862 3.732 1.00 0.00 H new ATOM 637 N GLN A 41 11.908 35.553 0.671 1.00 0.00 N ATOM 638 CA GLN A 41 10.620 36.161 0.756 1.00 0.00 C ATOM 639 C GLN A 41 9.547 35.260 1.452 1.00 0.00 C ATOM 640 O GLN A 41 9.314 34.094 1.137 1.00 0.00 O ATOM 641 CB GLN A 41 10.167 36.722 -0.645 1.00 0.00 C ATOM 642 CG GLN A 41 11.035 37.978 -1.129 1.00 0.00 C ATOM 643 CD GLN A 41 10.477 38.678 -2.380 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.300 39.070 -2.406 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.284 39.070 -3.364 1.00 0.00 N ATOM 0 H GLN A 41 12.080 35.076 -0.214 1.00 0.00 H new ATOM 0 HA GLN A 41 10.714 37.017 1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.241 35.929 -1.389 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.118 37.012 -0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.093 38.701 -0.316 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.053 37.646 -1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.258 38.768 -3.376 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.928 39.673 -4.106 1.00 0.00 H new ATOM 654 N ARG A 42 8.925 35.756 2.507 1.00 0.00 N ATOM 655 CA ARG A 42 7.787 35.040 3.187 1.00 0.00 C ATOM 656 C ARG A 42 6.610 35.934 3.061 1.00 0.00 C ATOM 657 O ARG A 42 6.588 37.004 3.668 1.00 0.00 O ATOM 658 CB ARG A 42 7.965 34.865 4.727 1.00 0.00 C ATOM 659 CG ARG A 42 9.298 34.177 5.018 1.00 0.00 C ATOM 660 CD ARG A 42 9.537 34.012 6.588 1.00 0.00 C ATOM 661 NE ARG A 42 8.926 32.751 6.944 1.00 0.00 N ATOM 662 CZ ARG A 42 8.012 32.502 7.884 1.00 0.00 C ATOM 663 NH1 ARG A 42 7.780 33.348 8.865 1.00 0.00 N ATOM 664 NH2 ARG A 42 7.806 31.258 8.181 1.00 0.00 N ATOM 0 H ARG A 42 9.167 36.650 2.934 1.00 0.00 H new ATOM 0 HA ARG A 42 7.710 34.055 2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.932 35.837 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.144 34.274 5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.315 33.197 4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.112 34.758 4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.601 34.013 6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.087 34.836 7.142 1.00 0.00 H new ATOM 0 HE ARG A 42 9.235 31.943 6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.305 34.221 8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.075 33.131 9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.332 30.526 7.703 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.118 31.011 8.893 1.00 0.00 H new ATOM 678 N LEU A 43 5.672 35.565 2.226 1.00 0.00 N ATOM 679 CA LEU A 43 4.539 36.467 1.962 1.00 0.00 C ATOM 680 C LEU A 43 3.427 36.051 2.875 1.00 0.00 C ATOM 681 O LEU A 43 2.913 34.972 2.794 1.00 0.00 O ATOM 682 CB LEU A 43 4.118 36.401 0.452 1.00 0.00 C ATOM 683 CG LEU A 43 4.954 37.334 -0.452 1.00 0.00 C ATOM 684 CD1 LEU A 43 4.516 37.201 -1.976 1.00 0.00 C ATOM 685 CD2 LEU A 43 4.720 38.898 -0.107 1.00 0.00 C ATOM 0 H LEU A 43 5.652 34.678 1.723 1.00 0.00 H new ATOM 0 HA LEU A 43 4.808 37.506 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.219 35.375 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.065 36.667 0.363 1.00 0.00 H new ATOM 0 HG LEU A 43 5.988 37.034 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.122 37.869 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.662 36.173 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.464 37.469 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.330 39.512 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.668 39.148 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.004 39.089 0.928 1.00 0.00 H new ATOM 697 N ILE A 44 2.988 36.975 3.744 1.00 0.00 N ATOM 698 CA ILE A 44 2.038 36.672 4.781 1.00 0.00 C ATOM 699 C ILE A 44 0.738 37.439 4.367 1.00 0.00 C ATOM 700 O ILE A 44 0.779 38.598 4.014 1.00 0.00 O ATOM 701 CB ILE A 44 2.560 37.050 6.206 1.00 0.00 C ATOM 702 CG1 ILE A 44 3.977 36.485 6.667 1.00 0.00 C ATOM 703 CG2 ILE A 44 1.497 36.639 7.258 1.00 0.00 C ATOM 704 CD1 ILE A 44 4.156 34.974 6.277 1.00 0.00 C ATOM 0 H ILE A 44 3.293 37.948 3.732 1.00 0.00 H new ATOM 0 HA ILE A 44 1.852 35.601 4.865 1.00 0.00 H new ATOM 0 HB ILE A 44 2.722 38.126 6.136 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.770 37.075 6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.079 36.597 7.746 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.852 36.899 8.255 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.564 37.165 7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.327 35.564 7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.134 34.626 6.608 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.378 34.380 6.756 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.080 34.866 5.195 1.00 0.00 H new ATOM 716 N PHE A 45 -0.368 36.697 4.252 1.00 0.00 N ATOM 717 CA PHE A 45 -1.628 37.263 3.985 1.00 0.00 C ATOM 718 C PHE A 45 -2.478 36.742 5.129 1.00 0.00 C ATOM 719 O PHE A 45 -2.552 35.530 5.367 1.00 0.00 O ATOM 720 CB PHE A 45 -2.139 36.758 2.599 1.00 0.00 C ATOM 721 CG PHE A 45 -3.494 37.253 2.270 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.577 36.328 1.991 1.00 0.00 C ATOM 723 CD2 PHE A 45 -3.773 38.610 2.081 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.845 36.780 1.627 1.00 0.00 C ATOM 725 CE2 PHE A 45 -5.047 39.018 1.700 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.085 38.108 1.448 1.00 0.00 C ATOM 0 H PHE A 45 -0.379 35.682 4.348 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.636 38.351 3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.443 37.076 1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.145 35.668 2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.397 35.266 2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.996 39.345 2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.645 36.069 1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.245 40.074 1.594 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.054 38.454 1.119 1.00 0.00 H new ATOM 736 N ALA A 46 -3.265 37.646 5.709 1.00 0.00 N ATOM 737 CA ALA A 46 -4.281 37.318 6.677 1.00 0.00 C ATOM 738 C ALA A 46 -3.736 36.631 7.942 1.00 0.00 C ATOM 739 O ALA A 46 -4.430 35.770 8.524 1.00 0.00 O ATOM 740 CB ALA A 46 -5.445 36.608 5.959 1.00 0.00 C ATOM 0 H ALA A 46 -3.204 38.644 5.507 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.690 38.234 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.219 36.355 6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.861 37.269 5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.079 35.696 5.486 1.00 0.00 H new ATOM 746 N GLY A 47 -2.499 36.926 8.334 1.00 0.00 N ATOM 747 CA GLY A 47 -1.892 36.211 9.489 1.00 0.00 C ATOM 748 C GLY A 47 -1.232 34.906 9.176 1.00 0.00 C ATOM 749 O GLY A 47 -0.762 34.233 10.078 1.00 0.00 O ATOM 0 H GLY A 47 -1.902 37.628 7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.155 36.867 9.951 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.670 36.034 10.231 1.00 0.00 H new ATOM 753 N LYS A 48 -1.099 34.561 7.908 1.00 0.00 N ATOM 754 CA LYS A 48 -0.616 33.252 7.458 1.00 0.00 C ATOM 755 C LYS A 48 0.167 33.323 6.102 1.00 0.00 C ATOM 756 O LYS A 48 -0.048 34.114 5.172 1.00 0.00 O ATOM 757 CB LYS A 48 -1.738 32.199 7.568 1.00 0.00 C ATOM 758 CG LYS A 48 -3.062 32.490 6.747 1.00 0.00 C ATOM 759 CD LYS A 48 -2.970 32.092 5.231 1.00 0.00 C ATOM 760 CE LYS A 48 -4.123 32.662 4.389 1.00 0.00 C ATOM 761 NZ LYS A 48 -5.459 32.361 5.017 1.00 0.00 N ATOM 0 H LYS A 48 -1.327 35.192 7.139 1.00 0.00 H new ATOM 0 HA LYS A 48 0.160 32.896 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.338 31.239 7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.005 32.093 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.889 31.948 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.298 33.552 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.022 32.445 4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.968 31.005 5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.002 33.740 4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.087 32.239 3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.220 32.636 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.527 31.343 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.554 32.896 5.904 1.00 0.00 H new ATOM 775 N GLN A 49 1.249 32.540 5.998 1.00 0.00 N ATOM 776 CA GLN A 49 2.037 32.407 4.785 1.00 0.00 C ATOM 777 C GLN A 49 1.192 31.704 3.669 1.00 0.00 C ATOM 778 O GLN A 49 0.250 30.938 3.879 1.00 0.00 O ATOM 779 CB GLN A 49 3.295 31.594 5.135 1.00 0.00 C ATOM 780 CG GLN A 49 4.410 31.642 4.042 1.00 0.00 C ATOM 781 CD GLN A 49 5.796 31.263 4.556 1.00 0.00 C ATOM 782 OE1 GLN A 49 6.853 31.823 4.151 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.946 30.437 5.520 1.00 0.00 N ATOM 0 H GLN A 49 1.600 31.976 6.772 1.00 0.00 H new ATOM 0 HA GLN A 49 2.328 33.384 4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.705 31.966 6.074 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.009 30.556 5.301 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.138 30.968 3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.451 32.647 3.623 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.137 29.946 5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.874 30.269 5.908 1.00 0.00 H new ATOM 792 N LEU A 50 1.521 32.040 2.435 1.00 0.00 N ATOM 793 CA LEU A 50 0.793 31.507 1.213 1.00 0.00 C ATOM 794 C LEU A 50 1.614 30.355 0.684 1.00 0.00 C ATOM 795 O LEU A 50 2.828 30.423 0.634 1.00 0.00 O ATOM 796 CB LEU A 50 0.765 32.623 0.130 1.00 0.00 C ATOM 797 CG LEU A 50 -0.065 33.802 0.588 1.00 0.00 C ATOM 798 CD1 LEU A 50 0.062 34.995 -0.436 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.584 33.382 0.570 1.00 0.00 C ATOM 0 H LEU A 50 2.284 32.679 2.213 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.223 31.198 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.782 32.951 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.356 32.224 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 50 0.279 34.100 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.541 35.835 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.105 35.303 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.290 34.673 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.197 34.221 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.871 33.097 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.736 32.537 1.242 1.00 0.00 H new ATOM 811 N GLU A 51 0.945 29.275 0.206 1.00 0.00 N ATOM 812 CA GLU A 51 1.664 28.233 -0.559 1.00 0.00 C ATOM 813 C GLU A 51 2.095 28.794 -1.921 1.00 0.00 C ATOM 814 O GLU A 51 1.300 29.378 -2.670 1.00 0.00 O ATOM 815 CB GLU A 51 0.716 27.003 -0.656 1.00 0.00 C ATOM 816 CG GLU A 51 0.683 26.081 0.599 1.00 0.00 C ATOM 817 CD GLU A 51 -0.289 24.930 0.368 1.00 0.00 C ATOM 818 OE1 GLU A 51 -0.450 24.521 -0.782 1.00 0.00 O ATOM 819 OE2 GLU A 51 -0.858 24.507 1.385 1.00 0.00 O ATOM 0 H GLU A 51 -0.053 29.108 0.331 1.00 0.00 H new ATOM 0 HA GLU A 51 2.585 27.917 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.295 27.360 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.013 26.404 -1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.681 25.692 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.380 26.654 1.475 1.00 0.00 H new ATOM 826 N ASP A 52 3.435 28.731 -2.191 1.00 0.00 N ATOM 827 CA ASP A 52 4.026 29.512 -3.283 1.00 0.00 C ATOM 828 C ASP A 52 3.490 29.222 -4.707 1.00 0.00 C ATOM 829 O ASP A 52 3.178 30.128 -5.498 1.00 0.00 O ATOM 830 CB ASP A 52 5.584 29.282 -3.240 1.00 0.00 C ATOM 831 CG ASP A 52 6.383 30.268 -2.383 1.00 0.00 C ATOM 832 OD1 ASP A 52 5.814 31.255 -1.924 1.00 0.00 O ATOM 833 OD2 ASP A 52 7.607 30.067 -2.237 1.00 0.00 O ATOM 0 H ASP A 52 4.098 28.157 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 52 3.739 30.548 -3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.773 28.274 -2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.966 29.325 -4.260 1.00 0.00 H new ATOM 838 N GLY A 53 3.344 27.961 -5.054 1.00 0.00 N ATOM 839 CA GLY A 53 2.867 27.450 -6.367 1.00 0.00 C ATOM 840 C GLY A 53 1.425 27.705 -6.698 1.00 0.00 C ATOM 841 O GLY A 53 1.049 27.555 -7.868 1.00 0.00 O ATOM 0 H GLY A 53 3.562 27.204 -4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.481 27.894 -7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.040 26.374 -6.398 1.00 0.00 H new ATOM 845 N ARG A 54 0.655 28.222 -5.737 1.00 0.00 N ATOM 846 CA ARG A 54 -0.721 28.459 -5.960 1.00 0.00 C ATOM 847 C ARG A 54 -0.824 29.900 -6.501 1.00 0.00 C ATOM 848 O ARG A 54 0.188 30.584 -6.593 1.00 0.00 O ATOM 849 CB ARG A 54 -1.510 28.287 -4.596 1.00 0.00 C ATOM 850 CG ARG A 54 -1.212 27.044 -3.777 1.00 0.00 C ATOM 851 CD ARG A 54 -1.432 25.672 -4.458 1.00 0.00 C ATOM 852 NE ARG A 54 -1.191 24.590 -3.416 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.360 23.348 -3.669 1.00 0.00 C ATOM 854 NH1 ARG A 54 -1.740 22.897 -4.828 1.00 0.00 N ATOM 855 NH2 ARG A 54 -1.334 22.414 -2.705 1.00 0.00 N ATOM 0 H ARG A 54 0.987 28.475 -4.806 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.157 27.758 -6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.305 29.159 -3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.577 28.298 -4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.173 27.096 -3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.829 27.077 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.445 25.601 -4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.750 25.550 -5.300 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.884 24.865 -2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.920 23.546 -5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.858 21.894 -4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.176 22.687 -1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.473 21.432 -2.943 1.00 0.00 H new ATOM 869 N THR A 55 -2.016 30.322 -6.931 1.00 0.00 N ATOM 870 CA THR A 55 -2.307 31.674 -7.453 1.00 0.00 C ATOM 871 C THR A 55 -3.063 32.535 -6.462 1.00 0.00 C ATOM 872 O THR A 55 -3.531 32.058 -5.426 1.00 0.00 O ATOM 873 CB THR A 55 -3.169 31.631 -8.731 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.465 31.064 -8.538 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.535 30.697 -9.747 1.00 0.00 C ATOM 0 H THR A 55 -2.837 29.717 -6.928 1.00 0.00 H new ATOM 0 HA THR A 55 -1.325 32.101 -7.657 1.00 0.00 H new ATOM 0 HB THR A 55 -3.242 32.673 -9.043 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.955 31.071 -9.387 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.148 30.670 -10.648 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.537 31.056 -9.998 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.465 29.694 -9.325 1.00 0.00 H new ATOM 883 N LEU A 56 -3.067 33.850 -6.745 1.00 0.00 N ATOM 884 CA LEU A 56 -3.831 34.880 -5.999 1.00 0.00 C ATOM 885 C LEU A 56 -5.354 34.574 -6.027 1.00 0.00 C ATOM 886 O LEU A 56 -6.075 34.705 -5.046 1.00 0.00 O ATOM 887 CB LEU A 56 -3.563 36.241 -6.714 1.00 0.00 C ATOM 888 CG LEU A 56 -2.124 36.813 -6.555 1.00 0.00 C ATOM 889 CD1 LEU A 56 -1.924 37.928 -7.635 1.00 0.00 C ATOM 890 CD2 LEU A 56 -1.933 37.360 -5.127 1.00 0.00 C ATOM 0 H LEU A 56 -2.527 34.241 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.518 34.900 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.771 36.119 -7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.271 36.977 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.376 36.035 -6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.921 38.346 -7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.050 37.499 -8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.661 38.717 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.924 37.759 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.658 38.153 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.082 36.556 -4.406 1.00 0.00 H new ATOM 902 N SER A 57 -5.855 34.023 -7.134 1.00 0.00 N ATOM 903 CA SER A 57 -7.304 33.639 -7.300 1.00 0.00 C ATOM 904 C SER A 57 -7.659 32.487 -6.381 1.00 0.00 C ATOM 905 O SER A 57 -8.819 32.436 -5.957 1.00 0.00 O ATOM 906 CB SER A 57 -7.630 33.372 -8.813 1.00 0.00 C ATOM 907 OG SER A 57 -8.853 32.632 -9.133 1.00 0.00 O ATOM 0 H SER A 57 -5.286 33.820 -7.956 1.00 0.00 H new ATOM 0 HA SER A 57 -7.942 34.469 -6.996 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.681 34.336 -9.319 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.789 32.830 -9.245 1.00 0.00 H new ATOM 0 HG SER A 57 -8.934 32.538 -10.105 1.00 0.00 H new ATOM 913 N ASP A 58 -6.717 31.581 -6.127 1.00 0.00 N ATOM 914 CA ASP A 58 -7.008 30.459 -5.225 1.00 0.00 C ATOM 915 C ASP A 58 -7.260 30.880 -3.788 1.00 0.00 C ATOM 916 O ASP A 58 -8.109 30.293 -3.103 1.00 0.00 O ATOM 917 CB ASP A 58 -5.768 29.523 -5.260 1.00 0.00 C ATOM 918 CG ASP A 58 -5.486 28.787 -6.603 1.00 0.00 C ATOM 919 OD1 ASP A 58 -4.257 28.657 -6.932 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.471 28.302 -7.194 1.00 0.00 O ATOM 0 H ASP A 58 -5.774 31.594 -6.516 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.923 29.975 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.888 30.114 -5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.886 28.772 -4.479 1.00 0.00 H new ATOM 925 N TYR A 59 -6.677 31.985 -3.305 1.00 0.00 N ATOM 926 CA TYR A 59 -7.067 32.605 -2.031 1.00 0.00 C ATOM 927 C TYR A 59 -8.003 33.799 -2.236 1.00 0.00 C ATOM 928 O TYR A 59 -8.192 34.527 -1.269 1.00 0.00 O ATOM 929 CB TYR A 59 -5.775 33.103 -1.374 1.00 0.00 C ATOM 930 CG TYR A 59 -4.916 31.953 -0.938 1.00 0.00 C ATOM 931 CD1 TYR A 59 -3.935 31.425 -1.783 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.957 31.468 0.354 1.00 0.00 C ATOM 933 CE1 TYR A 59 -3.036 30.473 -1.357 1.00 0.00 C ATOM 934 CE2 TYR A 59 -4.028 30.497 0.801 1.00 0.00 C ATOM 935 CZ TYR A 59 -3.061 29.948 -0.074 1.00 0.00 C ATOM 936 OH TYR A 59 -2.149 28.947 0.324 1.00 0.00 O ATOM 0 H TYR A 59 -5.922 32.474 -3.786 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.598 31.875 -1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.223 33.728 -2.076 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.017 33.727 -0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.881 31.775 -2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.710 31.835 1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.284 30.122 -2.048 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.058 30.169 1.830 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.318 28.704 1.258 1.00 0.00 H new ATOM 946 N ASN A 60 -8.497 33.990 -3.450 1.00 0.00 N ATOM 947 CA ASN A 60 -9.555 35.037 -3.719 1.00 0.00 C ATOM 948 C ASN A 60 -9.034 36.467 -3.584 1.00 0.00 C ATOM 949 O ASN A 60 -9.697 37.370 -3.080 1.00 0.00 O ATOM 950 CB ASN A 60 -10.856 34.789 -2.931 1.00 0.00 C ATOM 951 CG ASN A 60 -11.290 33.341 -3.201 1.00 0.00 C ATOM 952 OD1 ASN A 60 -11.069 32.432 -2.354 1.00 0.00 O ATOM 953 ND2 ASN A 60 -11.636 33.079 -4.429 1.00 0.00 N ATOM 0 H ASN A 60 -8.209 33.460 -4.273 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.820 34.925 -4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.695 34.949 -1.865 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.633 35.487 -3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.737 32.111 -4.735 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.806 33.842 -5.085 1.00 0.00 H new ATOM 960 N ILE A 61 -7.760 36.648 -3.883 1.00 0.00 N ATOM 961 CA ILE A 61 -7.076 37.925 -3.682 1.00 0.00 C ATOM 962 C ILE A 61 -7.375 38.807 -4.877 1.00 0.00 C ATOM 963 O ILE A 61 -6.803 38.607 -5.930 1.00 0.00 O ATOM 964 CB ILE A 61 -5.560 37.782 -3.483 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.313 36.896 -2.195 1.00 0.00 C ATOM 966 CG2 ILE A 61 -4.892 39.168 -3.262 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.801 36.438 -2.040 1.00 0.00 C ATOM 0 H ILE A 61 -7.165 35.917 -4.273 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.449 38.370 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.128 37.324 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.609 37.460 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.952 36.014 -2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.819 39.037 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.071 39.801 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.317 39.640 -2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.694 35.834 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.509 35.848 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.160 37.317 -1.966 1.00 0.00 H new ATOM 979 N GLN A 62 -8.205 39.804 -4.637 1.00 0.00 N ATOM 980 CA GLN A 62 -8.578 40.794 -5.641 1.00 0.00 C ATOM 981 C GLN A 62 -8.065 42.206 -5.234 1.00 0.00 C ATOM 982 O GLN A 62 -7.479 42.450 -4.194 1.00 0.00 O ATOM 983 CB GLN A 62 -10.119 40.800 -5.927 1.00 0.00 C ATOM 984 CG GLN A 62 -10.793 39.453 -6.408 1.00 0.00 C ATOM 985 CD GLN A 62 -10.102 38.768 -7.594 1.00 0.00 C ATOM 986 OE1 GLN A 62 -9.655 39.437 -8.552 1.00 0.00 O ATOM 987 NE2 GLN A 62 -10.061 37.444 -7.624 1.00 0.00 N ATOM 0 H GLN A 62 -8.647 39.955 -3.730 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.093 40.511 -6.576 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.626 41.120 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.315 41.559 -6.684 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.817 38.757 -5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.828 39.660 -6.680 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.427 36.905 -6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.663 36.964 -8.431 1.00 0.00 H new ATOM 996 N LYS A 63 -8.126 43.095 -6.268 1.00 0.00 N ATOM 997 CA LYS A 63 -7.586 44.470 -6.255 1.00 0.00 C ATOM 998 C LYS A 63 -7.656 45.149 -4.914 1.00 0.00 C ATOM 999 O LYS A 63 -8.567 44.981 -4.146 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.158 45.512 -7.256 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.746 45.599 -7.376 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.030 46.932 -8.165 1.00 0.00 C ATOM 1003 CE LYS A 63 -11.514 47.127 -8.673 1.00 0.00 C ATOM 1004 NZ LYS A 63 -11.658 48.451 -9.409 1.00 0.00 N ATOM 0 H LYS A 63 -8.568 42.858 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.571 44.221 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.785 46.496 -6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.754 45.291 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.148 44.735 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.215 45.617 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.772 47.774 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.363 46.972 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.789 46.305 -9.334 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.201 47.098 -7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.639 48.562 -9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.416 49.233 -8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.017 48.464 -10.228 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.572 45.835 -4.662 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.342 46.710 -3.514 1.00 0.00 C ATOM 1020 C GLU A 64 -6.148 46.093 -2.116 1.00 0.00 C ATOM 1021 O GLU A 64 -6.172 46.780 -1.071 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.396 47.817 -3.498 1.00 0.00 C ATOM 1023 CG GLU A 64 -7.343 48.601 -4.854 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.278 49.843 -4.834 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.513 50.363 -5.930 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -8.712 50.272 -3.772 1.00 0.00 O ATOM 0 H GLU A 64 -5.766 45.804 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.338 47.093 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.388 47.389 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.215 48.496 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.319 48.919 -5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.634 47.939 -5.669 1.00 0.00 H new ATOM 1033 N SER A 65 -5.971 44.752 -2.151 1.00 0.00 N ATOM 1034 CA SER A 65 -5.527 43.956 -0.968 1.00 0.00 C ATOM 1035 C SER A 65 -4.098 44.305 -0.532 1.00 0.00 C ATOM 1036 O SER A 65 -3.314 44.731 -1.358 1.00 0.00 O ATOM 1037 CB SER A 65 -5.445 42.420 -1.207 1.00 0.00 C ATOM 1038 OG SER A 65 -6.773 41.951 -1.385 1.00 0.00 O ATOM 0 H SER A 65 -6.128 44.190 -2.988 1.00 0.00 H new ATOM 0 HA SER A 65 -6.291 44.208 -0.232 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.838 42.199 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.972 41.924 -0.360 1.00 0.00 H new ATOM 0 HG SER A 65 -7.051 42.100 -2.313 1.00 0.00 H new ATOM 1044 N THR A 66 -3.781 44.170 0.764 1.00 0.00 N ATOM 1045 CA THR A 66 -2.458 44.485 1.303 1.00 0.00 C ATOM 1046 C THR A 66 -1.858 43.190 1.801 1.00 0.00 C ATOM 1047 O THR A 66 -2.401 42.541 2.690 1.00 0.00 O ATOM 1048 CB THR A 66 -2.522 45.478 2.480 1.00 0.00 C ATOM 1049 OG1 THR A 66 -3.004 46.760 1.990 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.052 45.662 3.059 1.00 0.00 C ATOM 0 H THR A 66 -4.441 43.838 1.467 1.00 0.00 H new ATOM 0 HA THR A 66 -1.862 44.949 0.517 1.00 0.00 H new ATOM 0 HB THR A 66 -3.191 45.106 3.256 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.049 47.398 2.733 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.075 46.362 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.673 44.699 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.399 46.051 2.277 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.786 42.766 1.138 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.082 41.591 1.624 1.00 0.00 C ATOM 1060 C LEU A 67 1.073 42.110 2.497 1.00 0.00 C ATOM 1061 O LEU A 67 1.583 43.214 2.359 1.00 0.00 O ATOM 1062 CB LEU A 67 0.425 40.571 0.559 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.753 39.636 0.028 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -1.930 40.387 -0.641 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -0.154 38.669 -0.984 1.00 0.00 C ATOM 0 H LEU A 67 -0.401 43.198 0.298 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.806 40.990 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.867 41.110 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.212 39.954 0.992 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.177 39.138 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.681 39.668 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.376 41.076 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.563 40.946 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.936 38.013 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.285 39.231 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.618 38.069 -0.502 1.00 0.00 H new ATOM 1077 N HIS A 68 1.575 41.253 3.395 1.00 0.00 N ATOM 1078 CA HIS A 68 2.777 41.571 4.184 1.00 0.00 C ATOM 1079 C HIS A 68 3.924 40.733 3.601 1.00 0.00 C ATOM 1080 O HIS A 68 3.807 39.547 3.274 1.00 0.00 O ATOM 1081 CB HIS A 68 2.641 41.271 5.699 1.00 0.00 C ATOM 1082 CG HIS A 68 1.831 42.302 6.448 1.00 0.00 C ATOM 1083 ND1 HIS A 68 0.541 42.653 6.074 1.00 0.00 N ATOM 1084 CD2 HIS A 68 2.147 43.208 7.479 1.00 0.00 C ATOM 1085 CE1 HIS A 68 0.168 43.687 6.825 1.00 0.00 C ATOM 1086 NE2 HIS A 68 1.114 44.047 7.688 1.00 0.00 N ATOM 0 H HIS A 68 1.171 40.338 3.594 1.00 0.00 H new ATOM 0 HA HIS A 68 2.953 42.644 4.115 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.177 40.293 5.827 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.636 41.212 6.140 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.080 43.227 8.022 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.791 44.177 6.743 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.067 44.804 8.370 1.00 0.00 H new ATOM 1094 N LEU A 69 5.053 41.410 3.342 1.00 0.00 N ATOM 1095 CA LEU A 69 6.254 40.705 2.919 1.00 0.00 C ATOM 1096 C LEU A 69 7.128 40.732 4.176 1.00 0.00 C ATOM 1097 O LEU A 69 7.710 41.733 4.614 1.00 0.00 O ATOM 1098 CB LEU A 69 6.998 41.400 1.815 1.00 0.00 C ATOM 1099 CG LEU A 69 8.457 40.769 1.555 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.378 39.293 1.032 1.00 0.00 C ATOM 1101 CD2 LEU A 69 9.137 41.669 0.541 1.00 0.00 C ATOM 0 H LEU A 69 5.152 42.422 3.418 1.00 0.00 H new ATOM 0 HA LEU A 69 6.007 39.716 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.413 41.343 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.102 42.457 2.062 1.00 0.00 H new ATOM 0 HG LEU A 69 9.020 40.721 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.386 38.910 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.867 38.673 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.826 39.269 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.135 41.287 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.551 41.690 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.214 42.679 0.945 1.00 0.00 H new ATOM 1113 N VAL A 70 7.264 39.547 4.760 1.00 0.00 N ATOM 1114 CA VAL A 70 8.133 39.282 5.857 1.00 0.00 C ATOM 1115 C VAL A 70 9.396 38.592 5.229 1.00 0.00 C ATOM 1116 O VAL A 70 9.320 37.812 4.294 1.00 0.00 O ATOM 1117 CB VAL A 70 7.334 38.393 6.852 1.00 0.00 C ATOM 1118 CG1 VAL A 70 8.249 37.864 8.026 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.209 39.323 7.471 1.00 0.00 C ATOM 0 H VAL A 70 6.743 38.724 4.456 1.00 0.00 H new ATOM 0 HA VAL A 70 8.471 40.154 6.417 1.00 0.00 H new ATOM 0 HB VAL A 70 6.930 37.525 6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.655 37.247 8.700 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.064 37.269 7.613 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.660 38.710 8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.613 38.750 8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.674 40.165 7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.565 39.695 6.674 1.00 0.00 H new ATOM 1129 N LEU A 71 10.588 38.880 5.793 1.00 0.00 N ATOM 1130 CA LEU A 71 11.846 38.320 5.331 1.00 0.00 C ATOM 1131 C LEU A 71 12.541 37.255 6.235 1.00 0.00 C ATOM 1132 O LEU A 71 12.619 37.367 7.451 1.00 0.00 O ATOM 1133 CB LEU A 71 12.856 39.416 5.028 1.00 0.00 C ATOM 1134 CG LEU A 71 12.340 40.585 4.120 1.00 0.00 C ATOM 1135 CD1 LEU A 71 13.428 41.696 3.971 1.00 0.00 C ATOM 1136 CD2 LEU A 71 11.922 40.032 2.719 1.00 0.00 C ATOM 0 H LEU A 71 10.690 39.513 6.586 1.00 0.00 H new ATOM 0 HA LEU A 71 11.535 37.778 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.200 39.839 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.723 38.963 4.547 1.00 0.00 H new ATOM 0 HG LEU A 71 11.467 41.032 4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.046 42.496 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.674 42.098 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.323 41.270 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.565 40.852 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.782 39.562 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.127 39.296 2.841 1.00 0.00 H new ATOM 1148 N ARG A 72 13.039 36.232 5.502 1.00 0.00 N ATOM 1149 CA ARG A 72 13.729 35.076 6.092 1.00 0.00 C ATOM 1150 C ARG A 72 15.110 35.312 6.776 1.00 0.00 C ATOM 1151 O ARG A 72 16.108 35.833 6.268 1.00 0.00 O ATOM 1152 CB ARG A 72 13.977 33.975 5.030 1.00 0.00 C ATOM 1153 CG ARG A 72 12.663 33.242 4.808 1.00 0.00 C ATOM 1154 CD ARG A 72 12.970 32.039 3.873 1.00 0.00 C ATOM 1155 NE ARG A 72 11.700 31.288 3.719 1.00 0.00 N ATOM 1156 CZ ARG A 72 11.008 31.166 2.604 1.00 0.00 C ATOM 1157 NH1 ARG A 72 11.303 31.616 1.372 1.00 0.00 N ATOM 1158 NH2 ARG A 72 9.764 30.867 2.716 1.00 0.00 N ATOM 0 H ARG A 72 12.970 36.191 4.485 1.00 0.00 H new ATOM 0 HA ARG A 72 13.028 34.800 6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.331 34.416 4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.748 33.283 5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.247 32.899 5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.923 33.903 4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.336 32.383 2.906 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.746 31.404 4.300 1.00 0.00 H new ATOM 0 HE ARG A 72 11.330 30.825 4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.168 32.131 1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.661 31.442 0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.352 30.735 3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.188 30.762 1.881 1.00 0.00 H new ATOM 1172 N LEU A 73 15.131 34.888 8.032 1.00 0.00 N ATOM 1173 CA LEU A 73 16.292 34.627 8.899 1.00 0.00 C ATOM 1174 C LEU A 73 16.468 33.111 9.017 1.00 0.00 C ATOM 1175 O LEU A 73 17.559 32.675 9.361 1.00 0.00 O ATOM 1176 CB LEU A 73 15.944 35.160 10.347 1.00 0.00 C ATOM 1177 CG LEU A 73 15.526 36.647 10.422 1.00 0.00 C ATOM 1178 CD1 LEU A 73 14.875 37.011 11.810 1.00 0.00 C ATOM 1179 CD2 LEU A 73 16.786 37.541 10.108 1.00 0.00 C ATOM 0 H LEU A 73 14.258 34.698 8.524 1.00 0.00 H new ATOM 0 HA LEU A 73 17.186 35.103 8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 73 15.137 34.552 10.756 1.00 0.00 H new ATOM 0 HB3 LEU A 73 16.812 35.011 10.989 1.00 0.00 H new ATOM 0 HG LEU A 73 14.754 36.839 9.677 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.597 38.065 11.816 1.00 0.00 H new ATOM 0 HD12 LEU A 73 13.986 36.401 11.966 1.00 0.00 H new ATOM 0 HD13 LEU A 73 15.591 36.820 12.609 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.507 38.593 10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.568 37.338 10.840 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.156 37.310 9.109 1.00 0.00 H new ATOM 1191 N ARG A 74 15.381 32.362 8.710 1.00 0.00 N ATOM 1192 CA ARG A 74 15.361 30.885 8.715 1.00 0.00 C ATOM 1193 C ARG A 74 14.556 30.370 7.456 1.00 0.00 C ATOM 1194 O ARG A 74 13.781 31.095 6.878 1.00 0.00 O ATOM 1195 CB ARG A 74 14.731 30.237 10.033 1.00 0.00 C ATOM 1196 CG ARG A 74 15.256 30.729 11.426 1.00 0.00 C ATOM 1197 CD ARG A 74 16.726 30.210 11.820 1.00 0.00 C ATOM 1198 NE ARG A 74 17.191 30.838 13.064 1.00 0.00 N ATOM 1199 CZ ARG A 74 17.812 32.018 13.098 1.00 0.00 C ATOM 1200 NH1 ARG A 74 18.017 32.879 12.149 1.00 0.00 N ATOM 1201 NH2 ARG A 74 18.492 32.247 14.202 1.00 0.00 N ATOM 0 H ARG A 74 14.485 32.774 8.450 1.00 0.00 H new ATOM 0 HA ARG A 74 16.404 30.570 8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.655 30.406 10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 74 14.886 29.159 9.981 1.00 0.00 H new ATOM 0 HG2 ARG A 74 15.258 31.819 11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.555 30.407 12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 74 16.713 29.127 11.938 1.00 0.00 H new ATOM 0 HD3 ARG A 74 17.423 30.434 11.013 1.00 0.00 H new ATOM 0 HE ARG A 74 17.031 30.348 13.944 1.00 0.00 H new ATOM 0 HH11 ARG A 74 17.678 32.689 11.206 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.517 33.746 12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.512 31.547 14.943 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.999 33.125 14.316 1.00 0.00 H new ATOM 1215 N GLY A 75 14.770 29.115 7.009 1.00 0.00 N ATOM 1216 CA GLY A 75 13.965 28.398 6.010 1.00 0.00 C ATOM 1217 C GLY A 75 12.466 28.403 6.282 1.00 0.00 C ATOM 1218 O GLY A 75 12.049 28.443 7.446 1.00 0.00 O ATOM 0 H GLY A 75 15.547 28.551 7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.145 28.842 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.308 27.365 5.959 1.00 0.00 H new ATOM 1222 N GLY A 76 11.689 28.348 5.190 1.00 0.00 N ATOM 1223 CA GLY A 76 10.269 28.160 5.236 1.00 0.00 C ATOM 1224 C GLY A 76 9.479 29.240 6.036 1.00 0.00 C ATOM 1225 O GLY A 76 9.848 30.423 5.923 1.00 0.00 O ATOM 1226 OXT GLY A 76 8.531 28.896 6.755 1.00 0.00 O ATOM 0 H GLY A 76 12.057 28.437 4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.889 28.138 4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.062 27.184 5.674 1.00 0.00 H new TER 1230 GLY A 76