USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 661 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 16 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.4!) USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= -0.0103 (180deg=-0.127) USER MOD Single : A 18 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.1!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -106:sc= 0.422 USER MOD Single : A 37 SER OG : rot 180:sc= -0.457 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0807 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 176:sc= -4.4! (180deg=-4.56!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 51 ASN : amide:sc= -2.7 K(o=-2.7,f=-6.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.772 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -154:sc= -2.09! (180deg=-2.34!) USER MOD Single : A 81 MET CE :methyl -121:sc= -0.881 (180deg=-1.05) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 37:sc= 0.635 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.122 -3.065 -2.127 1.00 4.22 N ATOM 2 CA MET A 1 0.880 -2.164 -2.686 1.00 23.45 C ATOM 3 C MET A 1 2.254 -2.438 -2.082 1.00 63.43 C ATOM 4 O MET A 1 2.664 -1.783 -1.124 1.00 34.02 O ATOM 5 CB MET A 1 0.483 -0.708 -2.438 1.00 11.11 C ATOM 6 CG MET A 1 1.227 0.283 -3.318 1.00 53.14 C ATOM 7 SD MET A 1 0.610 1.968 -3.142 1.00 12.21 S ATOM 8 CE MET A 1 2.125 2.845 -2.763 1.00 13.33 C ATOM 0 H1 MET A 1 -1.049 -2.860 -2.552 1.00 4.22 H new ATOM 0 H2 MET A 1 0.143 -4.049 -2.332 1.00 4.22 H new ATOM 0 H3 MET A 1 -0.176 -2.928 -1.097 1.00 4.22 H new ATOM 0 HA MET A 1 0.932 -2.341 -3.760 1.00 23.45 H new ATOM 0 HB2 MET A 1 -0.588 -0.598 -2.607 1.00 11.11 H new ATOM 0 HB3 MET A 1 0.668 -0.463 -1.392 1.00 11.11 H new ATOM 0 HG2 MET A 1 2.288 0.261 -3.067 1.00 53.14 H new ATOM 0 HG3 MET A 1 1.139 -0.025 -4.360 1.00 53.14 H new ATOM 0 HE1 MET A 1 1.908 3.904 -2.626 1.00 13.33 H new ATOM 0 HE2 MET A 1 2.559 2.442 -1.848 1.00 13.33 H new ATOM 0 HE3 MET A 1 2.831 2.723 -3.584 1.00 13.33 H new ATOM 18 N ASP A 2 2.961 -3.410 -2.649 1.00 42.21 N ATOM 19 CA ASP A 2 4.290 -3.770 -2.167 1.00 52.34 C ATOM 20 C ASP A 2 5.371 -3.217 -3.091 1.00 72.21 C ATOM 21 O ASP A 2 5.125 -2.969 -4.272 1.00 0.24 O ATOM 22 CB ASP A 2 4.422 -5.290 -2.059 1.00 51.40 C ATOM 23 CG ASP A 2 3.733 -5.844 -0.828 1.00 21.34 C ATOM 24 OD1 ASP A 2 4.305 -5.725 0.277 1.00 73.44 O ATOM 25 OD2 ASP A 2 2.622 -6.396 -0.968 1.00 21.50 O ATOM 0 H ASP A 2 2.636 -3.962 -3.443 1.00 42.21 H new ATOM 0 HA ASP A 2 4.423 -3.331 -1.178 1.00 52.34 H new ATOM 0 HB2 ASP A 2 3.997 -5.753 -2.949 1.00 51.40 H new ATOM 0 HB3 ASP A 2 5.478 -5.559 -2.033 1.00 51.40 H new ATOM 30 N ASP A 3 6.567 -3.027 -2.546 1.00 11.54 N ATOM 31 CA ASP A 3 7.686 -2.503 -3.320 1.00 60.34 C ATOM 32 C ASP A 3 8.141 -3.514 -4.368 1.00 62.15 C ATOM 33 O ASP A 3 8.712 -3.144 -5.395 1.00 74.01 O ATOM 34 CB ASP A 3 8.852 -2.148 -2.396 1.00 51.15 C ATOM 35 CG ASP A 3 9.353 -3.344 -1.611 1.00 1.33 C ATOM 36 OD1 ASP A 3 8.550 -3.944 -0.866 1.00 52.20 O ATOM 37 OD2 ASP A 3 10.549 -3.680 -1.741 1.00 55.11 O ATOM 0 H ASP A 3 6.787 -3.228 -1.570 1.00 11.54 H new ATOM 0 HA ASP A 3 7.351 -1.601 -3.832 1.00 60.34 H new ATOM 0 HB2 ASP A 3 9.670 -1.738 -2.989 1.00 51.15 H new ATOM 0 HB3 ASP A 3 8.538 -1.368 -1.703 1.00 51.15 H new ATOM 42 N ILE A 4 7.886 -4.790 -4.102 1.00 21.51 N ATOM 43 CA ILE A 4 8.270 -5.854 -5.022 1.00 13.01 C ATOM 44 C ILE A 4 7.448 -5.793 -6.305 1.00 64.33 C ATOM 45 O ILE A 4 7.935 -6.138 -7.383 1.00 34.33 O ATOM 46 CB ILE A 4 8.096 -7.243 -4.380 1.00 65.21 C ATOM 47 CG1 ILE A 4 8.458 -8.341 -5.383 1.00 0.02 C ATOM 48 CG2 ILE A 4 6.670 -7.422 -3.882 1.00 23.43 C ATOM 49 CD1 ILE A 4 9.192 -9.508 -4.762 1.00 25.51 C ATOM 0 H ILE A 4 7.415 -5.113 -3.257 1.00 21.51 H new ATOM 0 HA ILE A 4 9.323 -5.702 -5.260 1.00 13.01 H new ATOM 0 HB ILE A 4 8.770 -7.320 -3.527 1.00 65.21 H new ATOM 0 HG12 ILE A 4 7.546 -8.706 -5.855 1.00 0.02 H new ATOM 0 HG13 ILE A 4 9.076 -7.912 -6.172 1.00 0.02 H new ATOM 0 HG21 ILE A 4 6.563 -8.409 -3.431 1.00 23.43 H new ATOM 0 HG22 ILE A 4 6.445 -6.657 -3.139 1.00 23.43 H new ATOM 0 HG23 ILE A 4 5.978 -7.329 -4.719 1.00 23.43 H new ATOM 0 HD11 ILE A 4 9.416 -10.247 -5.531 1.00 25.51 H new ATOM 0 HD12 ILE A 4 10.122 -9.157 -4.314 1.00 25.51 H new ATOM 0 HD13 ILE A 4 8.568 -9.963 -3.993 1.00 25.51 H new ATOM 61 N TYR A 5 6.202 -5.351 -6.183 1.00 51.00 N ATOM 62 CA TYR A 5 5.312 -5.245 -7.333 1.00 61.32 C ATOM 63 C TYR A 5 5.529 -3.927 -8.071 1.00 21.44 C ATOM 64 O TYR A 5 5.564 -3.888 -9.301 1.00 33.43 O ATOM 65 CB TYR A 5 3.853 -5.359 -6.888 1.00 62.20 C ATOM 66 CG TYR A 5 3.483 -6.731 -6.371 1.00 61.24 C ATOM 67 CD1 TYR A 5 3.928 -7.880 -7.013 1.00 23.31 C ATOM 68 CD2 TYR A 5 2.689 -6.878 -5.241 1.00 32.22 C ATOM 69 CE1 TYR A 5 3.592 -9.136 -6.545 1.00 11.43 C ATOM 70 CE2 TYR A 5 2.349 -8.130 -4.765 1.00 14.44 C ATOM 71 CZ TYR A 5 2.802 -9.255 -5.420 1.00 61.22 C ATOM 72 OH TYR A 5 2.466 -10.504 -4.950 1.00 0.11 O ATOM 0 H TYR A 5 5.785 -5.060 -5.299 1.00 51.00 H new ATOM 0 HA TYR A 5 5.542 -6.064 -8.014 1.00 61.32 H new ATOM 0 HB2 TYR A 5 3.661 -4.622 -6.108 1.00 62.20 H new ATOM 0 HB3 TYR A 5 3.205 -5.110 -7.728 1.00 62.20 H new ATOM 0 HD1 TYR A 5 4.547 -7.790 -7.893 1.00 23.31 H new ATOM 0 HD2 TYR A 5 2.331 -5.999 -4.726 1.00 32.22 H new ATOM 0 HE1 TYR A 5 3.946 -10.019 -7.057 1.00 11.43 H new ATOM 0 HE2 TYR A 5 1.731 -8.226 -3.884 1.00 14.44 H new ATOM 0 HH TYR A 5 1.907 -10.413 -4.150 1.00 0.11 H new ATOM 82 N LYS A 6 5.675 -2.848 -7.309 1.00 65.33 N ATOM 83 CA LYS A 6 5.891 -1.527 -7.887 1.00 63.22 C ATOM 84 C LYS A 6 7.241 -1.456 -8.593 1.00 64.24 C ATOM 85 O LYS A 6 7.419 -0.688 -9.538 1.00 54.30 O ATOM 86 CB LYS A 6 5.816 -0.454 -6.799 1.00 53.53 C ATOM 87 CG LYS A 6 7.105 -0.293 -6.013 1.00 0.04 C ATOM 88 CD LYS A 6 7.993 0.785 -6.612 1.00 23.44 C ATOM 89 CE LYS A 6 8.737 1.557 -5.533 1.00 11.21 C ATOM 90 NZ LYS A 6 9.989 2.172 -6.054 1.00 52.34 N ATOM 0 H LYS A 6 5.648 -2.863 -6.289 1.00 65.33 H new ATOM 0 HA LYS A 6 5.107 -1.347 -8.622 1.00 63.22 H new ATOM 0 HB2 LYS A 6 5.559 0.500 -7.259 1.00 53.53 H new ATOM 0 HB3 LYS A 6 5.009 -0.703 -6.110 1.00 53.53 H new ATOM 0 HG2 LYS A 6 6.872 -0.040 -4.979 1.00 0.04 H new ATOM 0 HG3 LYS A 6 7.643 -1.241 -5.996 1.00 0.04 H new ATOM 0 HD2 LYS A 6 8.710 0.329 -7.295 1.00 23.44 H new ATOM 0 HD3 LYS A 6 7.386 1.473 -7.200 1.00 23.44 H new ATOM 0 HE2 LYS A 6 8.089 2.337 -5.132 1.00 11.21 H new ATOM 0 HE3 LYS A 6 8.978 0.887 -4.708 1.00 11.21 H new ATOM 0 HZ1 LYS A 6 10.467 2.689 -5.288 1.00 52.34 H new ATOM 0 HZ2 LYS A 6 10.619 1.426 -6.414 1.00 52.34 H new ATOM 0 HZ3 LYS A 6 9.758 2.831 -6.825 1.00 52.34 H new ATOM 104 N ALA A 7 8.190 -2.264 -8.130 1.00 12.42 N ATOM 105 CA ALA A 7 9.522 -2.294 -8.720 1.00 24.43 C ATOM 106 C ALA A 7 9.486 -2.878 -10.128 1.00 52.31 C ATOM 107 O ALA A 7 9.881 -2.223 -11.092 1.00 2.51 O ATOM 108 CB ALA A 7 10.471 -3.095 -7.839 1.00 52.33 C ATOM 0 H ALA A 7 8.060 -2.906 -7.348 1.00 12.42 H new ATOM 0 HA ALA A 7 9.885 -1.269 -8.789 1.00 24.43 H new ATOM 0 HB1 ALA A 7 11.463 -3.109 -8.291 1.00 52.33 H new ATOM 0 HB2 ALA A 7 10.529 -2.634 -6.853 1.00 52.33 H new ATOM 0 HB3 ALA A 7 10.102 -4.116 -7.741 1.00 52.33 H new ATOM 114 N ALA A 8 9.010 -4.113 -10.240 1.00 35.43 N ATOM 115 CA ALA A 8 8.920 -4.784 -11.531 1.00 24.12 C ATOM 116 C ALA A 8 8.187 -3.919 -12.550 1.00 11.44 C ATOM 117 O ALA A 8 8.665 -3.716 -13.666 1.00 31.01 O ATOM 118 CB ALA A 8 8.225 -6.129 -11.380 1.00 22.11 C ATOM 0 H ALA A 8 8.680 -4.670 -9.452 1.00 35.43 H new ATOM 0 HA ALA A 8 9.933 -4.950 -11.897 1.00 24.12 H new ATOM 0 HB1 ALA A 8 8.165 -6.619 -12.352 1.00 22.11 H new ATOM 0 HB2 ALA A 8 8.792 -6.756 -10.692 1.00 22.11 H new ATOM 0 HB3 ALA A 8 7.220 -5.977 -10.988 1.00 22.11 H new ATOM 124 N VAL A 9 7.023 -3.410 -12.158 1.00 75.45 N ATOM 125 CA VAL A 9 6.223 -2.566 -13.038 1.00 11.01 C ATOM 126 C VAL A 9 6.963 -1.279 -13.386 1.00 74.21 C ATOM 127 O VAL A 9 6.843 -0.765 -14.498 1.00 23.13 O ATOM 128 CB VAL A 9 4.869 -2.209 -12.395 1.00 64.21 C ATOM 129 CG1 VAL A 9 5.078 -1.379 -11.138 1.00 15.51 C ATOM 130 CG2 VAL A 9 3.985 -1.473 -13.390 1.00 61.01 C ATOM 0 H VAL A 9 6.613 -3.567 -11.237 1.00 75.45 H new ATOM 0 HA VAL A 9 6.045 -3.137 -13.949 1.00 11.01 H new ATOM 0 HB VAL A 9 4.365 -3.133 -12.111 1.00 64.21 H new ATOM 0 HG11 VAL A 9 4.111 -1.136 -10.697 1.00 15.51 H new ATOM 0 HG12 VAL A 9 5.671 -1.947 -10.421 1.00 15.51 H new ATOM 0 HG13 VAL A 9 5.602 -0.458 -11.393 1.00 15.51 H new ATOM 0 HG21 VAL A 9 3.033 -1.229 -12.919 1.00 61.01 H new ATOM 0 HG22 VAL A 9 4.480 -0.555 -13.706 1.00 61.01 H new ATOM 0 HG23 VAL A 9 3.808 -2.108 -14.258 1.00 61.01 H new ATOM 140 N GLU A 10 7.727 -0.765 -12.428 1.00 42.30 N ATOM 141 CA GLU A 10 8.486 0.463 -12.634 1.00 43.13 C ATOM 142 C GLU A 10 9.587 0.255 -13.671 1.00 31.44 C ATOM 143 O GLU A 10 10.080 1.211 -14.267 1.00 43.30 O ATOM 144 CB GLU A 10 9.097 0.939 -11.315 1.00 11.25 C ATOM 145 CG GLU A 10 8.226 1.932 -10.564 1.00 54.30 C ATOM 146 CD GLU A 10 8.889 3.287 -10.405 1.00 73.24 C ATOM 147 OE1 GLU A 10 9.215 3.911 -11.437 1.00 12.44 O ATOM 148 OE2 GLU A 10 9.082 3.722 -9.251 1.00 72.11 O ATOM 0 H GLU A 10 7.837 -1.179 -11.502 1.00 42.30 H new ATOM 0 HA GLU A 10 7.800 1.225 -13.005 1.00 43.13 H new ATOM 0 HB2 GLU A 10 9.281 0.075 -10.677 1.00 11.25 H new ATOM 0 HB3 GLU A 10 10.065 1.398 -11.517 1.00 11.25 H new ATOM 0 HG2 GLU A 10 7.281 2.054 -11.094 1.00 54.30 H new ATOM 0 HG3 GLU A 10 7.989 1.530 -9.579 1.00 54.30 H new ATOM 155 N GLN A 11 9.966 -1.002 -13.878 1.00 30.31 N ATOM 156 CA GLN A 11 11.009 -1.336 -14.841 1.00 32.23 C ATOM 157 C GLN A 11 10.415 -1.579 -16.224 1.00 52.23 C ATOM 158 O GLN A 11 11.139 -1.845 -17.184 1.00 70.35 O ATOM 159 CB GLN A 11 11.780 -2.574 -14.380 1.00 5.02 C ATOM 160 CG GLN A 11 12.197 -2.522 -12.919 1.00 33.33 C ATOM 161 CD GLN A 11 13.632 -2.962 -12.705 1.00 13.33 C ATOM 162 OE1 GLN A 11 14.525 -2.135 -12.521 1.00 45.21 O ATOM 163 NE2 GLN A 11 13.860 -4.270 -12.727 1.00 43.41 N ATOM 0 H GLN A 11 9.567 -1.805 -13.392 1.00 30.31 H new ATOM 0 HA GLN A 11 11.695 -0.491 -14.903 1.00 32.23 H new ATOM 0 HB2 GLN A 11 11.162 -3.457 -14.542 1.00 5.02 H new ATOM 0 HB3 GLN A 11 12.670 -2.689 -14.999 1.00 5.02 H new ATOM 0 HG2 GLN A 11 12.073 -1.505 -12.546 1.00 33.33 H new ATOM 0 HG3 GLN A 11 11.535 -3.159 -12.333 1.00 33.33 H new ATOM 0 HE21 GLN A 11 13.089 -4.920 -12.883 1.00 43.41 H new ATOM 0 HE22 GLN A 11 14.806 -4.625 -12.588 1.00 43.41 H new ATOM 172 N LEU A 12 9.093 -1.485 -16.320 1.00 22.42 N ATOM 173 CA LEU A 12 8.401 -1.695 -17.587 1.00 11.13 C ATOM 174 C LEU A 12 8.713 -0.572 -18.570 1.00 41.52 C ATOM 175 O LEU A 12 9.358 0.416 -18.218 1.00 5.35 O ATOM 176 CB LEU A 12 6.891 -1.782 -17.357 1.00 61.21 C ATOM 177 CG LEU A 12 6.394 -3.032 -16.630 1.00 71.44 C ATOM 178 CD1 LEU A 12 4.921 -2.895 -16.279 1.00 74.10 C ATOM 179 CD2 LEU A 12 6.628 -4.272 -17.481 1.00 72.21 C ATOM 0 H LEU A 12 8.479 -1.265 -15.536 1.00 22.42 H new ATOM 0 HA LEU A 12 8.752 -2.634 -18.014 1.00 11.13 H new ATOM 0 HB2 LEU A 12 6.579 -0.907 -16.787 1.00 61.21 H new ATOM 0 HB3 LEU A 12 6.392 -1.726 -18.325 1.00 61.21 H new ATOM 0 HG LEU A 12 6.959 -3.139 -15.704 1.00 71.44 H new ATOM 0 HD11 LEU A 12 4.585 -3.794 -15.762 1.00 74.10 H new ATOM 0 HD12 LEU A 12 4.780 -2.030 -15.631 1.00 74.10 H new ATOM 0 HD13 LEU A 12 4.340 -2.763 -17.192 1.00 74.10 H new ATOM 0 HD21 LEU A 12 6.268 -5.152 -16.948 1.00 72.21 H new ATOM 0 HD22 LEU A 12 6.090 -4.173 -18.424 1.00 72.21 H new ATOM 0 HD23 LEU A 12 7.694 -4.380 -17.682 1.00 72.21 H new ATOM 191 N THR A 13 8.249 -0.728 -19.806 1.00 51.22 N ATOM 192 CA THR A 13 8.477 0.273 -20.841 1.00 24.04 C ATOM 193 C THR A 13 7.245 1.148 -21.041 1.00 4.24 C ATOM 194 O THR A 13 6.152 0.808 -20.590 1.00 41.01 O ATOM 195 CB THR A 13 8.851 -0.382 -22.184 1.00 30.44 C ATOM 196 OG1 THR A 13 9.185 0.625 -23.144 1.00 44.53 O ATOM 197 CG2 THR A 13 7.703 -1.231 -22.710 1.00 11.53 C ATOM 0 H THR A 13 7.713 -1.539 -20.115 1.00 51.22 H new ATOM 0 HA THR A 13 9.308 0.892 -20.503 1.00 24.04 H new ATOM 0 HB THR A 13 9.714 -1.027 -22.020 1.00 30.44 H new ATOM 0 HG1 THR A 13 9.423 0.200 -23.994 1.00 44.53 H new ATOM 0 HG21 THR A 13 7.990 -1.683 -23.659 1.00 11.53 H new ATOM 0 HG22 THR A 13 7.471 -2.015 -21.990 1.00 11.53 H new ATOM 0 HG23 THR A 13 6.824 -0.603 -22.858 1.00 11.53 H new ATOM 205 N GLU A 14 7.430 2.276 -21.719 1.00 43.23 N ATOM 206 CA GLU A 14 6.332 3.200 -21.978 1.00 61.12 C ATOM 207 C GLU A 14 5.150 2.475 -22.616 1.00 22.05 C ATOM 208 O GLU A 14 3.994 2.822 -22.376 1.00 2.10 O ATOM 209 CB GLU A 14 6.797 4.338 -22.889 1.00 5.23 C ATOM 210 CG GLU A 14 7.963 5.132 -22.323 1.00 52.41 C ATOM 211 CD GLU A 14 8.315 6.337 -23.174 1.00 3.12 C ATOM 212 OE1 GLU A 14 8.125 6.270 -24.406 1.00 1.20 O ATOM 213 OE2 GLU A 14 8.781 7.347 -22.606 1.00 43.42 O ATOM 0 H GLU A 14 8.329 2.572 -22.099 1.00 43.23 H new ATOM 0 HA GLU A 14 6.009 3.617 -21.024 1.00 61.12 H new ATOM 0 HB2 GLU A 14 7.085 3.924 -23.855 1.00 5.23 H new ATOM 0 HB3 GLU A 14 5.961 5.014 -23.068 1.00 5.23 H new ATOM 0 HG2 GLU A 14 7.717 5.464 -21.314 1.00 52.41 H new ATOM 0 HG3 GLU A 14 8.835 4.482 -22.241 1.00 52.41 H new ATOM 220 N GLU A 15 5.450 1.467 -23.429 1.00 23.15 N ATOM 221 CA GLU A 15 4.413 0.694 -24.101 1.00 52.24 C ATOM 222 C GLU A 15 3.511 -0.005 -23.088 1.00 2.32 C ATOM 223 O GLU A 15 2.287 0.029 -23.205 1.00 73.42 O ATOM 224 CB GLU A 15 5.042 -0.339 -25.038 1.00 61.13 C ATOM 225 CG GLU A 15 5.966 0.268 -26.081 1.00 21.42 C ATOM 226 CD GLU A 15 6.522 -0.767 -27.040 1.00 41.32 C ATOM 227 OE1 GLU A 15 6.191 -1.961 -26.882 1.00 1.54 O ATOM 228 OE2 GLU A 15 7.288 -0.383 -27.949 1.00 13.01 O ATOM 0 H GLU A 15 6.402 1.167 -23.638 1.00 23.15 H new ATOM 0 HA GLU A 15 3.805 1.383 -24.687 1.00 52.24 H new ATOM 0 HB2 GLU A 15 5.602 -1.062 -24.445 1.00 61.13 H new ATOM 0 HB3 GLU A 15 4.248 -0.889 -25.544 1.00 61.13 H new ATOM 0 HG2 GLU A 15 5.423 1.026 -26.645 1.00 21.42 H new ATOM 0 HG3 GLU A 15 6.791 0.774 -25.580 1.00 21.42 H new ATOM 235 N GLN A 16 4.127 -0.637 -22.094 1.00 10.21 N ATOM 236 CA GLN A 16 3.380 -1.345 -21.061 1.00 4.33 C ATOM 237 C GLN A 16 2.482 -0.387 -20.286 1.00 13.24 C ATOM 238 O GLN A 16 1.304 -0.668 -20.061 1.00 2.41 O ATOM 239 CB GLN A 16 4.340 -2.051 -20.102 1.00 22.03 C ATOM 240 CG GLN A 16 5.264 -3.045 -20.787 1.00 54.04 C ATOM 241 CD GLN A 16 4.689 -4.448 -20.821 1.00 44.42 C ATOM 242 OE1 GLN A 16 3.690 -4.738 -20.163 1.00 1.21 O ATOM 243 NE2 GLN A 16 5.320 -5.327 -21.591 1.00 34.20 N ATOM 0 H GLN A 16 5.140 -0.673 -21.982 1.00 10.21 H new ATOM 0 HA GLN A 16 2.751 -2.090 -21.548 1.00 4.33 H new ATOM 0 HB2 GLN A 16 4.943 -1.302 -19.588 1.00 22.03 H new ATOM 0 HB3 GLN A 16 3.761 -2.572 -19.340 1.00 22.03 H new ATOM 0 HG2 GLN A 16 5.459 -2.711 -21.806 1.00 54.04 H new ATOM 0 HG3 GLN A 16 6.222 -3.062 -20.268 1.00 54.04 H new ATOM 0 HE21 GLN A 16 6.145 -5.043 -22.119 1.00 34.20 H new ATOM 0 HE22 GLN A 16 4.980 -6.287 -21.654 1.00 34.20 H new ATOM 252 N LYS A 17 3.044 0.746 -19.878 1.00 65.15 N ATOM 253 CA LYS A 17 2.295 1.747 -19.129 1.00 11.01 C ATOM 254 C LYS A 17 1.141 2.298 -19.961 1.00 2.34 C ATOM 255 O LYS A 17 0.082 2.626 -19.429 1.00 14.14 O ATOM 256 CB LYS A 17 3.218 2.889 -18.698 1.00 65.24 C ATOM 257 CG LYS A 17 3.863 2.671 -17.340 1.00 73.13 C ATOM 258 CD LYS A 17 5.157 1.883 -17.457 1.00 11.31 C ATOM 259 CE LYS A 17 5.808 1.677 -16.098 1.00 20.21 C ATOM 260 NZ LYS A 17 6.272 2.961 -15.504 1.00 40.33 N ATOM 0 H LYS A 17 4.018 0.994 -20.054 1.00 65.15 H new ATOM 0 HA LYS A 17 1.883 1.267 -18.241 1.00 11.01 H new ATOM 0 HB2 LYS A 17 4.000 3.015 -19.446 1.00 65.24 H new ATOM 0 HB3 LYS A 17 2.647 3.817 -18.675 1.00 65.24 H new ATOM 0 HG2 LYS A 17 4.064 3.635 -16.873 1.00 73.13 H new ATOM 0 HG3 LYS A 17 3.170 2.139 -16.688 1.00 73.13 H new ATOM 0 HD2 LYS A 17 4.955 0.915 -17.915 1.00 11.31 H new ATOM 0 HD3 LYS A 17 5.847 2.410 -18.116 1.00 11.31 H new ATOM 0 HE2 LYS A 17 5.097 1.201 -15.423 1.00 20.21 H new ATOM 0 HE3 LYS A 17 6.654 0.998 -16.200 1.00 20.21 H new ATOM 0 HZ1 LYS A 17 6.856 2.765 -14.666 1.00 40.33 H new ATOM 0 HZ2 LYS A 17 6.836 3.484 -16.204 1.00 40.33 H new ATOM 0 HZ3 LYS A 17 5.449 3.532 -15.226 1.00 40.33 H new ATOM 274 N ASN A 18 1.355 2.396 -21.269 1.00 13.32 N ATOM 275 CA ASN A 18 0.332 2.907 -22.174 1.00 14.10 C ATOM 276 C ASN A 18 -0.859 1.956 -22.241 1.00 73.32 C ATOM 277 O ASN A 18 -2.012 2.386 -22.220 1.00 3.53 O ATOM 278 CB ASN A 18 0.915 3.111 -23.574 1.00 2.25 C ATOM 279 CG ASN A 18 1.241 4.565 -23.858 1.00 33.22 C ATOM 280 OD1 ASN A 18 0.539 5.470 -23.405 1.00 23.41 O ATOM 281 ND2 ASN A 18 2.309 4.795 -24.612 1.00 2.21 N ATOM 0 H ASN A 18 2.227 2.128 -21.726 1.00 13.32 H new ATOM 0 HA ASN A 18 -0.012 3.866 -21.788 1.00 14.10 H new ATOM 0 HB2 ASN A 18 1.819 2.511 -23.679 1.00 2.25 H new ATOM 0 HB3 ASN A 18 0.204 2.749 -24.317 1.00 2.25 H new ATOM 0 HD21 ASN A 18 2.577 5.753 -24.838 1.00 2.21 H new ATOM 0 HD22 ASN A 18 2.861 4.014 -24.966 1.00 2.21 H new ATOM 288 N GLU A 19 -0.571 0.660 -22.322 1.00 52.41 N ATOM 289 CA GLU A 19 -1.619 -0.351 -22.393 1.00 22.42 C ATOM 290 C GLU A 19 -2.386 -0.433 -21.076 1.00 53.23 C ATOM 291 O GLU A 19 -3.613 -0.536 -21.065 1.00 51.33 O ATOM 292 CB GLU A 19 -1.017 -1.717 -22.730 1.00 75.35 C ATOM 293 CG GLU A 19 -0.782 -1.928 -24.217 1.00 1.13 C ATOM 294 CD GLU A 19 -2.074 -2.074 -24.997 1.00 63.12 C ATOM 295 OE1 GLU A 19 -3.016 -2.703 -24.471 1.00 62.24 O ATOM 296 OE2 GLU A 19 -2.143 -1.560 -26.133 1.00 63.00 O ATOM 0 H GLU A 19 0.378 0.287 -22.340 1.00 52.41 H new ATOM 0 HA GLU A 19 -2.314 -0.063 -23.181 1.00 22.42 H new ATOM 0 HB2 GLU A 19 -0.070 -1.828 -22.202 1.00 75.35 H new ATOM 0 HB3 GLU A 19 -1.681 -2.499 -22.361 1.00 75.35 H new ATOM 0 HG2 GLU A 19 -0.215 -1.086 -24.614 1.00 1.13 H new ATOM 0 HG3 GLU A 19 -0.172 -2.820 -24.362 1.00 1.13 H new ATOM 303 N PHE A 20 -1.655 -0.387 -19.968 1.00 4.51 N ATOM 304 CA PHE A 20 -2.265 -0.456 -18.645 1.00 71.44 C ATOM 305 C PHE A 20 -3.133 0.771 -18.381 1.00 65.22 C ATOM 306 O PHE A 20 -4.140 0.694 -17.678 1.00 31.11 O ATOM 307 CB PHE A 20 -1.185 -0.573 -17.568 1.00 34.44 C ATOM 308 CG PHE A 20 -0.531 -1.925 -17.518 1.00 54.44 C ATOM 309 CD1 PHE A 20 -0.834 -2.890 -18.465 1.00 31.33 C ATOM 310 CD2 PHE A 20 0.386 -2.229 -16.525 1.00 72.24 C ATOM 311 CE1 PHE A 20 -0.234 -4.135 -18.423 1.00 3.34 C ATOM 312 CE2 PHE A 20 0.990 -3.472 -16.479 1.00 14.55 C ATOM 313 CZ PHE A 20 0.679 -4.426 -17.427 1.00 55.24 C ATOM 0 H PHE A 20 -0.639 -0.302 -19.959 1.00 4.51 H new ATOM 0 HA PHE A 20 -2.900 -1.341 -18.611 1.00 71.44 H new ATOM 0 HB2 PHE A 20 -0.422 0.184 -17.747 1.00 34.44 H new ATOM 0 HB3 PHE A 20 -1.628 -0.356 -16.596 1.00 34.44 H new ATOM 0 HD1 PHE A 20 -1.547 -2.667 -19.245 1.00 31.33 H new ATOM 0 HD2 PHE A 20 0.632 -1.488 -15.779 1.00 72.24 H new ATOM 0 HE1 PHE A 20 -0.478 -4.879 -19.167 1.00 3.34 H new ATOM 0 HE2 PHE A 20 1.705 -3.696 -15.701 1.00 14.55 H new ATOM 0 HZ PHE A 20 1.148 -5.398 -17.390 1.00 55.24 H new ATOM 323 N LYS A 21 -2.733 1.903 -18.950 1.00 14.41 N ATOM 324 CA LYS A 21 -3.473 3.148 -18.778 1.00 4.40 C ATOM 325 C LYS A 21 -4.739 3.151 -19.629 1.00 4.43 C ATOM 326 O LYS A 21 -5.811 3.531 -19.160 1.00 54.04 O ATOM 327 CB LYS A 21 -2.592 4.344 -19.150 1.00 74.32 C ATOM 328 CG LYS A 21 -3.306 5.680 -19.046 1.00 52.42 C ATOM 329 CD LYS A 21 -2.529 6.783 -19.745 1.00 0.41 C ATOM 330 CE LYS A 21 -3.240 8.123 -19.632 1.00 43.42 C ATOM 331 NZ LYS A 21 -4.284 8.288 -20.682 1.00 25.45 N ATOM 0 H LYS A 21 -1.901 1.984 -19.534 1.00 14.41 H new ATOM 0 HA LYS A 21 -3.761 3.229 -17.730 1.00 4.40 H new ATOM 0 HB2 LYS A 21 -1.718 4.357 -18.499 1.00 74.32 H new ATOM 0 HB3 LYS A 21 -2.229 4.214 -20.169 1.00 74.32 H new ATOM 0 HG2 LYS A 21 -4.300 5.598 -19.487 1.00 52.42 H new ATOM 0 HG3 LYS A 21 -3.443 5.939 -17.996 1.00 52.42 H new ATOM 0 HD2 LYS A 21 -1.533 6.860 -19.309 1.00 0.41 H new ATOM 0 HD3 LYS A 21 -2.398 6.527 -20.796 1.00 0.41 H new ATOM 0 HE2 LYS A 21 -3.699 8.209 -18.647 1.00 43.42 H new ATOM 0 HE3 LYS A 21 -2.511 8.929 -19.715 1.00 43.42 H new ATOM 0 HZ1 LYS A 21 -4.745 9.214 -20.571 1.00 25.45 H new ATOM 0 HZ2 LYS A 21 -3.843 8.232 -21.622 1.00 25.45 H new ATOM 0 HZ3 LYS A 21 -4.994 7.534 -20.587 1.00 25.45 H new ATOM 345 N ALA A 22 -4.606 2.724 -20.880 1.00 51.43 N ATOM 346 CA ALA A 22 -5.740 2.675 -21.795 1.00 32.34 C ATOM 347 C ALA A 22 -6.723 1.581 -21.391 1.00 13.20 C ATOM 348 O ALA A 22 -7.926 1.822 -21.287 1.00 24.13 O ATOM 349 CB ALA A 22 -5.259 2.454 -23.221 1.00 42.10 C ATOM 0 H ALA A 22 -3.724 2.407 -21.283 1.00 51.43 H new ATOM 0 HA ALA A 22 -6.259 3.632 -21.743 1.00 32.34 H new ATOM 0 HB1 ALA A 22 -6.117 2.420 -23.893 1.00 42.10 H new ATOM 0 HB2 ALA A 22 -4.601 3.272 -23.514 1.00 42.10 H new ATOM 0 HB3 ALA A 22 -4.714 1.512 -23.279 1.00 42.10 H new ATOM 355 N ALA A 23 -6.204 0.379 -21.166 1.00 20.33 N ATOM 356 CA ALA A 23 -7.036 -0.751 -20.772 1.00 72.31 C ATOM 357 C ALA A 23 -7.820 -0.440 -19.502 1.00 2.24 C ATOM 358 O ALA A 23 -8.861 -1.042 -19.239 1.00 30.20 O ATOM 359 CB ALA A 23 -6.180 -1.994 -20.575 1.00 54.15 C ATOM 0 H ALA A 23 -5.211 0.162 -21.250 1.00 20.33 H new ATOM 0 HA ALA A 23 -7.752 -0.939 -21.572 1.00 72.31 H new ATOM 0 HB1 ALA A 23 -6.815 -2.830 -20.281 1.00 54.15 H new ATOM 0 HB2 ALA A 23 -5.670 -2.236 -21.507 1.00 54.15 H new ATOM 0 HB3 ALA A 23 -5.441 -1.807 -19.795 1.00 54.15 H new ATOM 365 N PHE A 24 -7.313 0.504 -18.716 1.00 4.14 N ATOM 366 CA PHE A 24 -7.965 0.894 -17.471 1.00 4.21 C ATOM 367 C PHE A 24 -9.254 1.662 -17.749 1.00 63.35 C ATOM 368 O PHE A 24 -10.209 1.594 -16.975 1.00 44.14 O ATOM 369 CB PHE A 24 -7.021 1.750 -16.623 1.00 14.01 C ATOM 370 CG PHE A 24 -7.660 2.289 -15.375 1.00 11.11 C ATOM 371 CD1 PHE A 24 -7.876 1.467 -14.281 1.00 20.13 C ATOM 372 CD2 PHE A 24 -8.044 3.618 -15.296 1.00 30.03 C ATOM 373 CE1 PHE A 24 -8.464 1.960 -13.132 1.00 12.35 C ATOM 374 CE2 PHE A 24 -8.632 4.117 -14.149 1.00 14.21 C ATOM 375 CZ PHE A 24 -8.842 3.287 -13.065 1.00 42.30 C ATOM 0 H PHE A 24 -6.453 1.013 -18.919 1.00 4.14 H new ATOM 0 HA PHE A 24 -8.215 -0.013 -16.921 1.00 4.21 H new ATOM 0 HB2 PHE A 24 -6.151 1.154 -16.348 1.00 14.01 H new ATOM 0 HB3 PHE A 24 -6.659 2.583 -17.225 1.00 14.01 H new ATOM 0 HD1 PHE A 24 -7.581 0.429 -14.327 1.00 20.13 H new ATOM 0 HD2 PHE A 24 -7.882 4.272 -16.140 1.00 30.03 H new ATOM 0 HE1 PHE A 24 -8.628 1.308 -12.287 1.00 12.35 H new ATOM 0 HE2 PHE A 24 -8.927 5.155 -14.100 1.00 14.21 H new ATOM 0 HZ PHE A 24 -9.301 3.675 -12.167 1.00 42.30 H new ATOM 385 N ASP A 25 -9.273 2.391 -18.860 1.00 5.15 N ATOM 386 CA ASP A 25 -10.444 3.172 -19.242 1.00 24.33 C ATOM 387 C ASP A 25 -11.618 2.259 -19.579 1.00 74.04 C ATOM 388 O ASP A 25 -12.761 2.542 -19.217 1.00 42.13 O ATOM 389 CB ASP A 25 -10.118 4.068 -20.438 1.00 24.34 C ATOM 390 CG ASP A 25 -11.225 5.058 -20.738 1.00 14.22 C ATOM 391 OD1 ASP A 25 -11.573 5.851 -19.837 1.00 42.25 O ATOM 392 OD2 ASP A 25 -11.744 5.041 -21.873 1.00 53.13 O ATOM 0 H ASP A 25 -8.491 2.457 -19.512 1.00 5.15 H new ATOM 0 HA ASP A 25 -10.725 3.798 -18.396 1.00 24.33 H new ATOM 0 HB2 ASP A 25 -9.193 4.610 -20.241 1.00 24.34 H new ATOM 0 HB3 ASP A 25 -9.942 3.447 -21.316 1.00 24.34 H new ATOM 397 N ILE A 26 -11.330 1.165 -20.275 1.00 63.43 N ATOM 398 CA ILE A 26 -12.362 0.211 -20.661 1.00 73.05 C ATOM 399 C ILE A 26 -12.962 -0.475 -19.439 1.00 22.22 C ATOM 400 O ILE A 26 -14.118 -0.898 -19.455 1.00 70.13 O ATOM 401 CB ILE A 26 -11.809 -0.862 -21.618 1.00 43.52 C ATOM 402 CG1 ILE A 26 -11.282 -0.211 -22.899 1.00 54.21 C ATOM 403 CG2 ILE A 26 -12.884 -1.888 -21.942 1.00 41.13 C ATOM 404 CD1 ILE A 26 -9.773 -0.126 -22.958 1.00 33.13 C ATOM 0 H ILE A 26 -10.390 0.917 -20.583 1.00 63.43 H new ATOM 0 HA ILE A 26 -13.138 0.778 -21.174 1.00 73.05 H new ATOM 0 HB ILE A 26 -10.982 -1.375 -21.127 1.00 43.52 H new ATOM 0 HG12 ILE A 26 -11.640 -0.778 -23.758 1.00 54.21 H new ATOM 0 HG13 ILE A 26 -11.698 0.793 -22.984 1.00 54.21 H new ATOM 0 HG21 ILE A 26 -12.478 -2.639 -22.619 1.00 41.13 H new ATOM 0 HG22 ILE A 26 -13.216 -2.370 -21.022 1.00 41.13 H new ATOM 0 HG23 ILE A 26 -13.730 -1.391 -22.417 1.00 41.13 H new ATOM 0 HD11 ILE A 26 -9.471 0.346 -23.893 1.00 33.13 H new ATOM 0 HD12 ILE A 26 -9.409 0.466 -22.119 1.00 33.13 H new ATOM 0 HD13 ILE A 26 -9.350 -1.129 -22.905 1.00 33.13 H new ATOM 416 N PHE A 27 -12.168 -0.581 -18.378 1.00 34.00 N ATOM 417 CA PHE A 27 -12.621 -1.215 -17.145 1.00 63.11 C ATOM 418 C PHE A 27 -13.488 -0.261 -16.329 1.00 43.21 C ATOM 419 O PHE A 27 -14.508 -0.658 -15.766 1.00 60.24 O ATOM 420 CB PHE A 27 -11.421 -1.672 -16.312 1.00 14.43 C ATOM 421 CG PHE A 27 -10.871 -3.004 -16.733 1.00 34.34 C ATOM 422 CD1 PHE A 27 -10.508 -3.234 -18.050 1.00 1.21 C ATOM 423 CD2 PHE A 27 -10.717 -4.027 -15.811 1.00 74.41 C ATOM 424 CE1 PHE A 27 -10.002 -4.460 -18.440 1.00 13.42 C ATOM 425 CE2 PHE A 27 -10.212 -5.255 -16.195 1.00 61.31 C ATOM 426 CZ PHE A 27 -9.853 -5.471 -17.511 1.00 61.12 C ATOM 0 H PHE A 27 -11.208 -0.236 -18.347 1.00 34.00 H new ATOM 0 HA PHE A 27 -13.222 -2.084 -17.412 1.00 63.11 H new ATOM 0 HB2 PHE A 27 -10.632 -0.923 -16.384 1.00 14.43 H new ATOM 0 HB3 PHE A 27 -11.715 -1.724 -15.264 1.00 14.43 H new ATOM 0 HD1 PHE A 27 -10.622 -2.447 -18.780 1.00 1.21 H new ATOM 0 HD2 PHE A 27 -10.995 -3.863 -14.780 1.00 74.41 H new ATOM 0 HE1 PHE A 27 -9.724 -4.627 -19.470 1.00 13.42 H new ATOM 0 HE2 PHE A 27 -10.098 -6.045 -15.467 1.00 61.31 H new ATOM 0 HZ PHE A 27 -9.456 -6.429 -17.813 1.00 61.12 H new ATOM 436 N VAL A 28 -13.074 1.001 -16.269 1.00 64.11 N ATOM 437 CA VAL A 28 -13.812 2.013 -15.523 1.00 5.10 C ATOM 438 C VAL A 28 -14.934 2.608 -16.366 1.00 44.32 C ATOM 439 O VAL A 28 -15.608 3.549 -15.946 1.00 54.44 O ATOM 440 CB VAL A 28 -12.884 3.147 -15.048 1.00 12.51 C ATOM 441 CG1 VAL A 28 -11.759 2.593 -14.187 1.00 74.22 C ATOM 442 CG2 VAL A 28 -12.327 3.914 -16.238 1.00 74.33 C ATOM 0 H VAL A 28 -12.231 1.347 -16.728 1.00 64.11 H new ATOM 0 HA VAL A 28 -14.241 1.516 -14.653 1.00 5.10 H new ATOM 0 HB VAL A 28 -13.467 3.838 -14.440 1.00 12.51 H new ATOM 0 HG11 VAL A 28 -11.114 3.409 -13.861 1.00 74.22 H new ATOM 0 HG12 VAL A 28 -12.181 2.093 -13.315 1.00 74.22 H new ATOM 0 HG13 VAL A 28 -11.175 1.879 -14.767 1.00 74.22 H new ATOM 0 HG21 VAL A 28 -11.674 4.711 -15.884 1.00 74.33 H new ATOM 0 HG22 VAL A 28 -11.759 3.236 -16.875 1.00 74.33 H new ATOM 0 HG23 VAL A 28 -13.149 4.346 -16.810 1.00 74.33 H new ATOM 452 N LEU A 29 -15.129 2.054 -17.557 1.00 64.25 N ATOM 453 CA LEU A 29 -16.170 2.529 -18.461 1.00 54.13 C ATOM 454 C LEU A 29 -17.536 2.498 -17.782 1.00 41.45 C ATOM 455 O LEU A 29 -18.442 3.242 -18.155 1.00 15.13 O ATOM 456 CB LEU A 29 -16.200 1.676 -19.731 1.00 1.03 C ATOM 457 CG LEU A 29 -15.517 2.277 -20.960 1.00 3.25 C ATOM 458 CD1 LEU A 29 -15.593 1.317 -22.136 1.00 62.40 C ATOM 459 CD2 LEU A 29 -16.147 3.615 -21.319 1.00 60.21 C ATOM 0 H LEU A 29 -14.580 1.275 -17.919 1.00 64.25 H new ATOM 0 HA LEU A 29 -15.941 3.560 -18.729 1.00 54.13 H new ATOM 0 HB2 LEU A 29 -15.730 0.717 -19.512 1.00 1.03 H new ATOM 0 HB3 LEU A 29 -17.241 1.471 -19.982 1.00 1.03 H new ATOM 0 HG LEU A 29 -14.466 2.445 -20.723 1.00 3.25 H new ATOM 0 HD11 LEU A 29 -15.102 1.762 -23.001 1.00 62.40 H new ATOM 0 HD12 LEU A 29 -15.095 0.383 -21.876 1.00 62.40 H new ATOM 0 HD13 LEU A 29 -16.637 1.116 -22.375 1.00 62.40 H new ATOM 0 HD21 LEU A 29 -15.649 4.028 -22.196 1.00 60.21 H new ATOM 0 HD22 LEU A 29 -17.205 3.472 -21.537 1.00 60.21 H new ATOM 0 HD23 LEU A 29 -16.039 4.304 -20.482 1.00 60.21 H new ATOM 471 N GLY A 30 -17.675 1.634 -16.782 1.00 63.40 N ATOM 472 CA GLY A 30 -18.932 1.524 -16.065 1.00 62.34 C ATOM 473 C GLY A 30 -19.016 2.479 -14.892 1.00 3.32 C ATOM 474 O GLY A 30 -20.106 2.886 -14.491 1.00 3.13 O ATOM 0 H GLY A 30 -16.939 1.008 -16.455 1.00 63.40 H new ATOM 0 HA2 GLY A 30 -19.756 1.722 -16.750 1.00 62.34 H new ATOM 0 HA3 GLY A 30 -19.054 0.502 -15.707 1.00 62.34 H new ATOM 478 N ALA A 31 -17.862 2.837 -14.339 1.00 4.43 N ATOM 479 CA ALA A 31 -17.809 3.751 -13.204 1.00 51.12 C ATOM 480 C ALA A 31 -18.104 5.183 -13.638 1.00 71.14 C ATOM 481 O ALA A 31 -18.116 5.489 -14.830 1.00 44.21 O ATOM 482 CB ALA A 31 -16.450 3.673 -12.526 1.00 25.32 C ATOM 0 H ALA A 31 -16.951 2.508 -14.658 1.00 4.43 H new ATOM 0 HA ALA A 31 -18.576 3.450 -12.491 1.00 51.12 H new ATOM 0 HB1 ALA A 31 -16.425 4.361 -11.681 1.00 25.32 H new ATOM 0 HB2 ALA A 31 -16.278 2.657 -12.172 1.00 25.32 H new ATOM 0 HB3 ALA A 31 -15.672 3.946 -13.239 1.00 25.32 H new ATOM 488 N GLU A 32 -18.343 6.055 -12.664 1.00 24.23 N ATOM 489 CA GLU A 32 -18.639 7.454 -12.947 1.00 51.11 C ATOM 490 C GLU A 32 -17.456 8.346 -12.582 1.00 21.25 C ATOM 491 O GLU A 32 -17.277 9.423 -13.151 1.00 71.51 O ATOM 492 CB GLU A 32 -19.885 7.900 -12.179 1.00 3.44 C ATOM 493 CG GLU A 32 -21.127 7.092 -12.512 1.00 15.21 C ATOM 494 CD GLU A 32 -22.243 7.296 -11.505 1.00 72.03 C ATOM 495 OE1 GLU A 32 -22.998 8.280 -11.647 1.00 13.32 O ATOM 496 OE2 GLU A 32 -22.361 6.470 -10.576 1.00 1.01 O ATOM 0 H GLU A 32 -18.337 5.817 -11.672 1.00 24.23 H new ATOM 0 HA GLU A 32 -18.827 7.550 -14.016 1.00 51.11 H new ATOM 0 HB2 GLU A 32 -19.689 7.824 -11.110 1.00 3.44 H new ATOM 0 HB3 GLU A 32 -20.077 8.951 -12.394 1.00 3.44 H new ATOM 0 HG2 GLU A 32 -21.482 7.371 -13.504 1.00 15.21 H new ATOM 0 HG3 GLU A 32 -20.868 6.034 -12.552 1.00 15.21 H new ATOM 503 N ASP A 33 -16.652 7.890 -11.628 1.00 22.24 N ATOM 504 CA ASP A 33 -15.485 8.645 -11.185 1.00 72.13 C ATOM 505 C ASP A 33 -14.220 8.144 -11.876 1.00 12.53 C ATOM 506 O ASP A 33 -13.283 8.908 -12.106 1.00 73.31 O ATOM 507 CB ASP A 33 -15.328 8.540 -9.667 1.00 74.45 C ATOM 508 CG ASP A 33 -16.485 9.173 -8.921 1.00 15.44 C ATOM 509 OD1 ASP A 33 -16.544 10.419 -8.865 1.00 41.42 O ATOM 510 OD2 ASP A 33 -17.332 8.423 -8.391 1.00 11.43 O ATOM 0 H ASP A 33 -16.787 7.001 -11.146 1.00 22.24 H new ATOM 0 HA ASP A 33 -15.635 9.690 -11.455 1.00 72.13 H new ATOM 0 HB2 ASP A 33 -15.248 7.490 -9.385 1.00 74.45 H new ATOM 0 HB3 ASP A 33 -14.398 9.023 -9.366 1.00 74.45 H new ATOM 515 N GLY A 34 -14.201 6.856 -12.203 1.00 24.24 N ATOM 516 CA GLY A 34 -13.046 6.275 -12.862 1.00 44.30 C ATOM 517 C GLY A 34 -12.364 5.219 -12.015 1.00 34.12 C ATOM 518 O GLY A 34 -11.152 5.271 -11.802 1.00 74.20 O ATOM 0 H GLY A 34 -14.965 6.204 -12.023 1.00 24.24 H new ATOM 0 HA2 GLY A 34 -13.356 5.832 -13.808 1.00 44.30 H new ATOM 0 HA3 GLY A 34 -12.332 7.064 -13.098 1.00 44.30 H new ATOM 522 N CYS A 35 -13.144 4.259 -11.529 1.00 50.40 N ATOM 523 CA CYS A 35 -12.609 3.187 -10.698 1.00 21.03 C ATOM 524 C CYS A 35 -13.316 1.868 -10.990 1.00 35.21 C ATOM 525 O CYS A 35 -14.273 1.824 -11.764 1.00 71.40 O ATOM 526 CB CYS A 35 -12.754 3.541 -9.217 1.00 32.51 C ATOM 527 SG CYS A 35 -11.911 5.066 -8.736 1.00 24.32 S ATOM 0 H CYS A 35 -14.149 4.202 -11.696 1.00 50.40 H new ATOM 0 HA CYS A 35 -11.551 3.071 -10.934 1.00 21.03 H new ATOM 0 HB2 CYS A 35 -13.814 3.634 -8.979 1.00 32.51 H new ATOM 0 HB3 CYS A 35 -12.363 2.718 -8.618 1.00 32.51 H new ATOM 0 HG CYS A 35 -10.840 4.775 -8.060 1.00 24.32 H new ATOM 533 N ILE A 36 -12.839 0.796 -10.367 1.00 62.32 N ATOM 534 CA ILE A 36 -13.426 -0.524 -10.561 1.00 64.42 C ATOM 535 C ILE A 36 -13.740 -1.188 -9.225 1.00 12.03 C ATOM 536 O ILE A 36 -12.839 -1.494 -8.445 1.00 23.34 O ATOM 537 CB ILE A 36 -12.490 -1.443 -11.370 1.00 15.21 C ATOM 538 CG1 ILE A 36 -12.178 -0.818 -12.731 1.00 52.12 C ATOM 539 CG2 ILE A 36 -13.119 -2.818 -11.544 1.00 4.43 C ATOM 540 CD1 ILE A 36 -10.697 -0.676 -13.006 1.00 35.33 C ATOM 0 H ILE A 36 -12.048 0.816 -9.724 1.00 62.32 H new ATOM 0 HA ILE A 36 -14.351 -0.379 -11.118 1.00 64.42 H new ATOM 0 HB ILE A 36 -11.555 -1.559 -10.822 1.00 15.21 H new ATOM 0 HG12 ILE A 36 -12.628 -1.429 -13.514 1.00 52.12 H new ATOM 0 HG13 ILE A 36 -12.645 0.165 -12.786 1.00 52.12 H new ATOM 0 HG21 ILE A 36 -12.446 -3.456 -12.117 1.00 4.43 H new ATOM 0 HG22 ILE A 36 -13.296 -3.264 -10.565 1.00 4.43 H new ATOM 0 HG23 ILE A 36 -14.066 -2.720 -12.074 1.00 4.43 H new ATOM 0 HD11 ILE A 36 -10.551 -0.226 -13.988 1.00 35.33 H new ATOM 0 HD12 ILE A 36 -10.245 -0.040 -12.245 1.00 35.33 H new ATOM 0 HD13 ILE A 36 -10.227 -1.659 -12.984 1.00 35.33 H new ATOM 552 N SER A 37 -15.026 -1.409 -8.968 1.00 4.20 N ATOM 553 CA SER A 37 -15.460 -2.035 -7.725 1.00 12.33 C ATOM 554 C SER A 37 -15.511 -3.553 -7.870 1.00 12.44 C ATOM 555 O SER A 37 -15.690 -4.078 -8.969 1.00 23.21 O ATOM 556 CB SER A 37 -16.835 -1.504 -7.315 1.00 52.51 C ATOM 557 OG SER A 37 -17.111 -1.797 -5.957 1.00 34.34 O ATOM 0 H SER A 37 -15.785 -1.164 -9.604 1.00 4.20 H new ATOM 0 HA SER A 37 -14.736 -1.786 -6.949 1.00 12.33 H new ATOM 0 HB2 SER A 37 -16.874 -0.426 -7.473 1.00 52.51 H new ATOM 0 HB3 SER A 37 -17.603 -1.947 -7.949 1.00 52.51 H new ATOM 0 HG SER A 37 -17.995 -1.446 -5.720 1.00 34.34 H new ATOM 563 N THR A 38 -15.353 -4.253 -6.751 1.00 30.32 N ATOM 564 CA THR A 38 -15.380 -5.710 -6.751 1.00 64.44 C ATOM 565 C THR A 38 -16.682 -6.236 -7.343 1.00 71.43 C ATOM 566 O THR A 38 -16.746 -7.368 -7.823 1.00 62.35 O ATOM 567 CB THR A 38 -15.210 -6.276 -5.329 1.00 12.13 C ATOM 568 OG1 THR A 38 -15.485 -7.681 -5.324 1.00 65.32 O ATOM 569 CG2 THR A 38 -16.138 -5.570 -4.352 1.00 12.13 C ATOM 0 H THR A 38 -15.205 -3.834 -5.833 1.00 30.32 H new ATOM 0 HA THR A 38 -14.544 -6.041 -7.367 1.00 64.44 H new ATOM 0 HB THR A 38 -14.180 -6.107 -5.016 1.00 12.13 H new ATOM 0 HG1 THR A 38 -15.373 -8.033 -4.416 1.00 65.32 H new ATOM 0 HG21 THR A 38 -16.001 -5.986 -3.354 1.00 12.13 H new ATOM 0 HG22 THR A 38 -15.907 -4.505 -4.336 1.00 12.13 H new ATOM 0 HG23 THR A 38 -17.172 -5.712 -4.665 1.00 12.13 H new ATOM 577 N LYS A 39 -17.720 -5.408 -7.307 1.00 12.21 N ATOM 578 CA LYS A 39 -19.022 -5.788 -7.842 1.00 13.23 C ATOM 579 C LYS A 39 -18.969 -5.921 -9.360 1.00 40.33 C ATOM 580 O LYS A 39 -19.306 -6.967 -9.912 1.00 74.34 O ATOM 581 CB LYS A 39 -20.080 -4.755 -7.446 1.00 72.13 C ATOM 582 CG LYS A 39 -21.489 -5.320 -7.384 1.00 64.30 C ATOM 583 CD LYS A 39 -22.152 -5.317 -8.751 1.00 63.22 C ATOM 584 CE LYS A 39 -23.610 -5.739 -8.664 1.00 73.41 C ATOM 585 NZ LYS A 39 -24.123 -6.235 -9.971 1.00 72.04 N ATOM 0 H LYS A 39 -17.685 -4.468 -6.912 1.00 12.21 H new ATOM 0 HA LYS A 39 -19.292 -6.756 -7.420 1.00 13.23 H new ATOM 0 HB2 LYS A 39 -19.822 -4.338 -6.473 1.00 72.13 H new ATOM 0 HB3 LYS A 39 -20.058 -3.933 -8.161 1.00 72.13 H new ATOM 0 HG2 LYS A 39 -21.457 -6.338 -6.997 1.00 64.30 H new ATOM 0 HG3 LYS A 39 -22.087 -4.733 -6.687 1.00 64.30 H new ATOM 0 HD2 LYS A 39 -22.086 -4.320 -9.186 1.00 63.22 H new ATOM 0 HD3 LYS A 39 -21.616 -5.992 -9.418 1.00 63.22 H new ATOM 0 HE2 LYS A 39 -23.718 -6.520 -7.912 1.00 73.41 H new ATOM 0 HE3 LYS A 39 -24.214 -4.893 -8.334 1.00 73.41 H new ATOM 0 HZ1 LYS A 39 -25.120 -6.513 -9.870 1.00 72.04 H new ATOM 0 HZ2 LYS A 39 -24.044 -5.481 -10.683 1.00 72.04 H new ATOM 0 HZ3 LYS A 39 -23.564 -7.058 -10.274 1.00 72.04 H new ATOM 599 N GLU A 40 -18.542 -4.854 -10.029 1.00 2.13 N ATOM 600 CA GLU A 40 -18.444 -4.853 -11.484 1.00 32.54 C ATOM 601 C GLU A 40 -17.228 -5.650 -11.948 1.00 31.05 C ATOM 602 O GLU A 40 -17.222 -6.215 -13.042 1.00 53.11 O ATOM 603 CB GLU A 40 -18.360 -3.420 -12.011 1.00 3.52 C ATOM 604 CG GLU A 40 -19.350 -2.471 -11.356 1.00 41.01 C ATOM 605 CD GLU A 40 -20.784 -2.947 -11.481 1.00 30.41 C ATOM 606 OE1 GLU A 40 -21.068 -3.735 -12.408 1.00 13.03 O ATOM 607 OE2 GLU A 40 -21.622 -2.533 -10.653 1.00 3.01 O ATOM 0 H GLU A 40 -18.259 -3.980 -9.587 1.00 2.13 H new ATOM 0 HA GLU A 40 -19.341 -5.327 -11.883 1.00 32.54 H new ATOM 0 HB2 GLU A 40 -17.350 -3.043 -11.854 1.00 3.52 H new ATOM 0 HB3 GLU A 40 -18.534 -3.427 -13.087 1.00 3.52 H new ATOM 0 HG2 GLU A 40 -19.098 -2.361 -10.301 1.00 41.01 H new ATOM 0 HG3 GLU A 40 -19.258 -1.485 -11.811 1.00 41.01 H new ATOM 614 N LEU A 41 -16.199 -5.690 -11.108 1.00 35.31 N ATOM 615 CA LEU A 41 -14.976 -6.417 -11.431 1.00 14.02 C ATOM 616 C LEU A 41 -15.260 -7.903 -11.622 1.00 34.43 C ATOM 617 O LEU A 41 -14.585 -8.580 -12.396 1.00 33.41 O ATOM 618 CB LEU A 41 -13.937 -6.222 -10.325 1.00 73.51 C ATOM 619 CG LEU A 41 -12.608 -6.954 -10.517 1.00 33.02 C ATOM 620 CD1 LEU A 41 -12.145 -6.850 -11.962 1.00 13.03 C ATOM 621 CD2 LEU A 41 -11.552 -6.396 -9.575 1.00 4.03 C ATOM 0 H LEU A 41 -16.187 -5.228 -10.199 1.00 35.31 H new ATOM 0 HA LEU A 41 -14.582 -6.019 -12.366 1.00 14.02 H new ATOM 0 HB2 LEU A 41 -13.731 -5.156 -10.231 1.00 73.51 H new ATOM 0 HB3 LEU A 41 -14.375 -6.547 -9.381 1.00 73.51 H new ATOM 0 HG LEU A 41 -12.757 -8.007 -10.280 1.00 33.02 H new ATOM 0 HD11 LEU A 41 -11.198 -7.377 -12.079 1.00 13.03 H new ATOM 0 HD12 LEU A 41 -12.893 -7.298 -12.617 1.00 13.03 H new ATOM 0 HD13 LEU A 41 -12.012 -5.801 -12.227 1.00 13.03 H new ATOM 0 HD21 LEU A 41 -10.613 -6.928 -9.725 1.00 4.03 H new ATOM 0 HD22 LEU A 41 -11.405 -5.336 -9.780 1.00 4.03 H new ATOM 0 HD23 LEU A 41 -11.881 -6.524 -8.544 1.00 4.03 H new ATOM 633 N GLY A 42 -16.266 -8.405 -10.911 1.00 54.32 N ATOM 634 CA GLY A 42 -16.624 -9.807 -11.018 1.00 64.22 C ATOM 635 C GLY A 42 -17.120 -10.175 -12.402 1.00 61.14 C ATOM 636 O GLY A 42 -17.019 -11.329 -12.820 1.00 55.13 O ATOM 0 H GLY A 42 -16.839 -7.865 -10.263 1.00 54.32 H new ATOM 0 HA2 GLY A 42 -15.757 -10.420 -10.771 1.00 64.22 H new ATOM 0 HA3 GLY A 42 -17.397 -10.038 -10.285 1.00 64.22 H new ATOM 640 N LYS A 43 -17.659 -9.193 -13.116 1.00 41.34 N ATOM 641 CA LYS A 43 -18.174 -9.418 -14.462 1.00 2.41 C ATOM 642 C LYS A 43 -17.036 -9.678 -15.443 1.00 62.25 C ATOM 643 O LYS A 43 -17.056 -10.659 -16.187 1.00 32.31 O ATOM 644 CB LYS A 43 -18.994 -8.211 -14.924 1.00 73.44 C ATOM 645 CG LYS A 43 -20.494 -8.446 -14.889 1.00 74.51 C ATOM 646 CD LYS A 43 -21.233 -7.474 -15.793 1.00 42.42 C ATOM 647 CE LYS A 43 -22.707 -7.386 -15.431 1.00 14.52 C ATOM 648 NZ LYS A 43 -22.952 -6.407 -14.335 1.00 62.12 N ATOM 0 H LYS A 43 -17.751 -8.233 -12.785 1.00 41.34 H new ATOM 0 HA LYS A 43 -18.816 -10.298 -14.436 1.00 2.41 H new ATOM 0 HB2 LYS A 43 -18.754 -7.356 -14.292 1.00 73.44 H new ATOM 0 HB3 LYS A 43 -18.699 -7.949 -15.940 1.00 73.44 H new ATOM 0 HG2 LYS A 43 -20.710 -9.468 -15.199 1.00 74.51 H new ATOM 0 HG3 LYS A 43 -20.856 -8.340 -13.866 1.00 74.51 H new ATOM 0 HD2 LYS A 43 -20.779 -6.486 -15.715 1.00 42.42 H new ATOM 0 HD3 LYS A 43 -21.131 -7.791 -16.831 1.00 42.42 H new ATOM 0 HE2 LYS A 43 -23.280 -7.096 -16.312 1.00 14.52 H new ATOM 0 HE3 LYS A 43 -23.065 -8.369 -15.126 1.00 14.52 H new ATOM 0 HZ1 LYS A 43 -23.969 -6.376 -14.118 1.00 62.12 H new ATOM 0 HZ2 LYS A 43 -22.425 -6.697 -13.486 1.00 62.12 H new ATOM 0 HZ3 LYS A 43 -22.634 -5.463 -14.635 1.00 62.12 H new ATOM 662 N VAL A 44 -16.043 -8.794 -15.440 1.00 21.32 N ATOM 663 CA VAL A 44 -14.895 -8.931 -16.328 1.00 42.51 C ATOM 664 C VAL A 44 -14.242 -10.300 -16.176 1.00 40.23 C ATOM 665 O VAL A 44 -13.615 -10.806 -17.107 1.00 35.34 O ATOM 666 CB VAL A 44 -13.842 -7.839 -16.056 1.00 74.23 C ATOM 667 CG1 VAL A 44 -12.825 -8.321 -15.033 1.00 72.12 C ATOM 668 CG2 VAL A 44 -13.156 -7.428 -17.350 1.00 2.21 C ATOM 0 H VAL A 44 -16.011 -7.975 -14.832 1.00 21.32 H new ATOM 0 HA VAL A 44 -15.268 -8.821 -17.346 1.00 42.51 H new ATOM 0 HB VAL A 44 -14.347 -6.965 -15.646 1.00 74.23 H new ATOM 0 HG11 VAL A 44 -12.090 -7.537 -14.854 1.00 72.12 H new ATOM 0 HG12 VAL A 44 -13.334 -8.562 -14.100 1.00 72.12 H new ATOM 0 HG13 VAL A 44 -12.322 -9.211 -15.412 1.00 72.12 H new ATOM 0 HG21 VAL A 44 -12.415 -6.656 -17.140 1.00 2.21 H new ATOM 0 HG22 VAL A 44 -12.662 -8.294 -17.791 1.00 2.21 H new ATOM 0 HG23 VAL A 44 -13.898 -7.039 -18.047 1.00 2.21 H new ATOM 678 N MET A 45 -14.394 -10.894 -14.997 1.00 63.24 N ATOM 679 CA MET A 45 -13.820 -12.207 -14.724 1.00 41.33 C ATOM 680 C MET A 45 -14.395 -13.259 -15.667 1.00 54.43 C ATOM 681 O MET A 45 -13.681 -14.147 -16.131 1.00 64.13 O ATOM 682 CB MET A 45 -14.082 -12.609 -13.272 1.00 22.33 C ATOM 683 CG MET A 45 -13.501 -11.637 -12.258 1.00 34.04 C ATOM 684 SD MET A 45 -11.960 -12.228 -11.532 1.00 33.13 S ATOM 685 CE MET A 45 -11.047 -12.687 -13.003 1.00 35.43 C ATOM 0 H MET A 45 -14.909 -10.488 -14.216 1.00 63.24 H new ATOM 0 HA MET A 45 -12.744 -12.147 -14.889 1.00 41.33 H new ATOM 0 HB2 MET A 45 -15.158 -12.687 -13.114 1.00 22.33 H new ATOM 0 HB3 MET A 45 -13.662 -13.599 -13.096 1.00 22.33 H new ATOM 0 HG2 MET A 45 -13.325 -10.676 -12.741 1.00 34.04 H new ATOM 0 HG3 MET A 45 -14.230 -11.467 -11.465 1.00 34.04 H new ATOM 0 HE1 MET A 45 -10.043 -13.006 -12.723 1.00 35.43 H new ATOM 0 HE2 MET A 45 -11.560 -13.505 -13.509 1.00 35.43 H new ATOM 0 HE3 MET A 45 -10.982 -11.830 -13.673 1.00 35.43 H new ATOM 695 N ARG A 46 -15.690 -13.152 -15.946 1.00 54.20 N ATOM 696 CA ARG A 46 -16.361 -14.095 -16.832 1.00 74.04 C ATOM 697 C ARG A 46 -15.721 -14.089 -18.217 1.00 70.34 C ATOM 698 O ARG A 46 -15.513 -15.142 -18.820 1.00 53.12 O ATOM 699 CB ARG A 46 -17.848 -13.753 -16.945 1.00 12.22 C ATOM 700 CG ARG A 46 -18.556 -13.666 -15.603 1.00 12.43 C ATOM 701 CD ARG A 46 -18.931 -15.043 -15.080 1.00 30.51 C ATOM 702 NE ARG A 46 -20.213 -15.034 -14.381 1.00 53.40 N ATOM 703 CZ ARG A 46 -20.939 -16.124 -14.161 1.00 61.31 C ATOM 704 NH1 ARG A 46 -20.510 -17.306 -14.583 1.00 12.11 N ATOM 705 NH2 ARG A 46 -22.096 -16.034 -13.517 1.00 62.55 N ATOM 0 H ARG A 46 -16.295 -12.422 -15.571 1.00 54.20 H new ATOM 0 HA ARG A 46 -16.256 -15.093 -16.406 1.00 74.04 H new ATOM 0 HB2 ARG A 46 -17.955 -12.801 -17.465 1.00 12.22 H new ATOM 0 HB3 ARG A 46 -18.340 -14.508 -17.558 1.00 12.22 H new ATOM 0 HG2 ARG A 46 -17.910 -13.165 -14.882 1.00 12.43 H new ATOM 0 HG3 ARG A 46 -19.454 -13.057 -15.703 1.00 12.43 H new ATOM 0 HD2 ARG A 46 -18.977 -15.746 -15.912 1.00 30.51 H new ATOM 0 HD3 ARG A 46 -18.153 -15.398 -14.405 1.00 30.51 H new ATOM 0 HE ARG A 46 -20.571 -14.141 -14.043 1.00 53.40 H new ATOM 0 HH11 ARG A 46 -19.621 -17.379 -15.078 1.00 12.11 H new ATOM 0 HH12 ARG A 46 -21.069 -18.142 -14.413 1.00 12.11 H new ATOM 0 HH21 ARG A 46 -22.429 -15.127 -13.190 1.00 62.55 H new ATOM 0 HH22 ARG A 46 -22.653 -16.872 -13.349 1.00 62.55 H new ATOM 719 N MET A 47 -15.411 -12.897 -18.716 1.00 13.35 N ATOM 720 CA MET A 47 -14.794 -12.755 -20.029 1.00 51.51 C ATOM 721 C MET A 47 -13.389 -13.348 -20.037 1.00 3.44 C ATOM 722 O MET A 47 -12.932 -13.874 -21.052 1.00 24.41 O ATOM 723 CB MET A 47 -14.740 -11.280 -20.434 1.00 72.10 C ATOM 724 CG MET A 47 -16.085 -10.577 -20.349 1.00 12.04 C ATOM 725 SD MET A 47 -17.278 -11.212 -21.543 1.00 1.34 S ATOM 726 CE MET A 47 -18.758 -11.284 -20.537 1.00 12.12 C ATOM 0 H MET A 47 -15.577 -12.015 -18.231 1.00 13.35 H new ATOM 0 HA MET A 47 -15.403 -13.300 -20.750 1.00 51.51 H new ATOM 0 HB2 MET A 47 -14.027 -10.762 -19.793 1.00 72.10 H new ATOM 0 HB3 MET A 47 -14.364 -11.205 -21.454 1.00 72.10 H new ATOM 0 HG2 MET A 47 -16.488 -10.692 -19.343 1.00 12.04 H new ATOM 0 HG3 MET A 47 -15.944 -9.509 -20.515 1.00 12.04 H new ATOM 0 HE1 MET A 47 -19.587 -11.659 -21.136 1.00 12.12 H new ATOM 0 HE2 MET A 47 -18.591 -11.951 -19.691 1.00 12.12 H new ATOM 0 HE3 MET A 47 -18.998 -10.286 -20.170 1.00 12.12 H new ATOM 736 N LEU A 48 -12.708 -13.258 -18.899 1.00 61.44 N ATOM 737 CA LEU A 48 -11.354 -13.786 -18.775 1.00 64.31 C ATOM 738 C LEU A 48 -11.357 -15.311 -18.819 1.00 13.13 C ATOM 739 O LEU A 48 -10.362 -15.934 -19.185 1.00 22.24 O ATOM 740 CB LEU A 48 -10.715 -13.303 -17.472 1.00 25.51 C ATOM 741 CG LEU A 48 -10.440 -11.802 -17.375 1.00 30.43 C ATOM 742 CD1 LEU A 48 -9.723 -11.474 -16.074 1.00 52.13 C ATOM 743 CD2 LEU A 48 -9.624 -11.331 -18.570 1.00 21.05 C ATOM 0 H LEU A 48 -13.071 -12.825 -18.050 1.00 61.44 H new ATOM 0 HA LEU A 48 -10.769 -13.418 -19.618 1.00 64.31 H new ATOM 0 HB2 LEU A 48 -11.365 -13.587 -16.645 1.00 25.51 H new ATOM 0 HB3 LEU A 48 -9.773 -13.834 -17.334 1.00 25.51 H new ATOM 0 HG LEU A 48 -11.394 -11.276 -17.382 1.00 30.43 H new ATOM 0 HD11 LEU A 48 -9.536 -10.401 -16.022 1.00 52.13 H new ATOM 0 HD12 LEU A 48 -10.344 -11.775 -15.230 1.00 52.13 H new ATOM 0 HD13 LEU A 48 -8.775 -12.010 -16.036 1.00 52.13 H new ATOM 0 HD21 LEU A 48 -9.438 -10.260 -18.484 1.00 21.05 H new ATOM 0 HD22 LEU A 48 -8.673 -11.864 -18.594 1.00 21.05 H new ATOM 0 HD23 LEU A 48 -10.176 -11.531 -19.489 1.00 21.05 H new ATOM 755 N GLY A 49 -12.486 -15.906 -18.444 1.00 50.03 N ATOM 756 CA GLY A 49 -12.599 -17.353 -18.450 1.00 10.22 C ATOM 757 C GLY A 49 -12.761 -17.927 -17.056 1.00 43.03 C ATOM 758 O GLY A 49 -12.643 -19.136 -16.860 1.00 33.14 O ATOM 0 H GLY A 49 -13.324 -15.412 -18.136 1.00 50.03 H new ATOM 0 HA2 GLY A 49 -13.453 -17.645 -19.062 1.00 10.22 H new ATOM 0 HA3 GLY A 49 -11.712 -17.782 -18.915 1.00 10.22 H new ATOM 762 N GLN A 50 -13.029 -17.058 -16.087 1.00 52.23 N ATOM 763 CA GLN A 50 -13.205 -17.486 -14.705 1.00 23.14 C ATOM 764 C GLN A 50 -14.449 -16.852 -14.092 1.00 72.11 C ATOM 765 O GLN A 50 -14.894 -15.790 -14.526 1.00 22.24 O ATOM 766 CB GLN A 50 -11.972 -17.122 -13.875 1.00 62.45 C ATOM 767 CG GLN A 50 -10.726 -17.901 -14.264 1.00 64.15 C ATOM 768 CD GLN A 50 -9.487 -17.423 -13.534 1.00 5.53 C ATOM 769 OE1 GLN A 50 -8.446 -17.180 -14.146 1.00 1.35 O ATOM 770 NE2 GLN A 50 -9.592 -17.284 -12.217 1.00 42.03 N ATOM 0 H GLN A 50 -13.129 -16.054 -16.234 1.00 52.23 H new ATOM 0 HA GLN A 50 -13.332 -18.569 -14.701 1.00 23.14 H new ATOM 0 HB2 GLN A 50 -11.773 -16.056 -13.984 1.00 62.45 H new ATOM 0 HB3 GLN A 50 -12.188 -17.300 -12.822 1.00 62.45 H new ATOM 0 HG2 GLN A 50 -10.883 -18.959 -14.052 1.00 64.15 H new ATOM 0 HG3 GLN A 50 -10.567 -17.812 -15.339 1.00 64.15 H new ATOM 0 HE21 GLN A 50 -10.474 -17.497 -11.750 1.00 42.03 H new ATOM 0 HE22 GLN A 50 -8.791 -16.965 -11.672 1.00 42.03 H new ATOM 779 N ASN A 51 -15.007 -17.511 -13.082 1.00 21.43 N ATOM 780 CA ASN A 51 -16.201 -17.012 -12.410 1.00 33.31 C ATOM 781 C ASN A 51 -16.094 -17.200 -10.900 1.00 13.44 C ATOM 782 O ASN A 51 -16.820 -17.989 -10.294 1.00 0.50 O ATOM 783 CB ASN A 51 -17.446 -17.730 -12.937 1.00 43.52 C ATOM 784 CG ASN A 51 -17.346 -18.048 -14.416 1.00 70.25 C ATOM 785 OD1 ASN A 51 -16.992 -17.190 -15.225 1.00 64.32 O ATOM 786 ND2 ASN A 51 -17.660 -19.287 -14.777 1.00 24.30 N ATOM 0 H ASN A 51 -14.651 -18.392 -12.711 1.00 21.43 H new ATOM 0 HA ASN A 51 -16.287 -15.946 -12.621 1.00 33.31 H new ATOM 0 HB2 ASN A 51 -17.593 -18.654 -12.378 1.00 43.52 H new ATOM 0 HB3 ASN A 51 -18.323 -17.108 -12.760 1.00 43.52 H new ATOM 0 HD21 ASN A 51 -17.613 -19.560 -15.759 1.00 24.30 H new ATOM 0 HD22 ASN A 51 -17.948 -19.966 -14.072 1.00 24.30 H new ATOM 793 N PRO A 52 -15.168 -16.457 -10.275 1.00 70.04 N ATOM 794 CA PRO A 52 -14.944 -16.523 -8.828 1.00 55.51 C ATOM 795 C PRO A 52 -16.101 -15.923 -8.035 1.00 42.12 C ATOM 796 O PRO A 52 -16.976 -15.262 -8.596 1.00 4.10 O ATOM 797 CB PRO A 52 -13.673 -15.695 -8.628 1.00 4.32 C ATOM 798 CG PRO A 52 -13.647 -14.754 -9.783 1.00 62.40 C ATOM 799 CD PRO A 52 -14.268 -15.496 -10.934 1.00 41.24 C ATOM 0 HA PRO A 52 -14.860 -17.551 -8.475 1.00 55.51 H new ATOM 0 HB2 PRO A 52 -13.696 -15.157 -7.680 1.00 4.32 H new ATOM 0 HB3 PRO A 52 -12.786 -16.329 -8.614 1.00 4.32 H new ATOM 0 HG2 PRO A 52 -14.204 -13.845 -9.558 1.00 62.40 H new ATOM 0 HG3 PRO A 52 -12.626 -14.452 -10.018 1.00 62.40 H new ATOM 0 HD2 PRO A 52 -14.813 -14.825 -11.597 1.00 41.24 H new ATOM 0 HD3 PRO A 52 -13.515 -16.001 -11.540 1.00 41.24 H new ATOM 807 N THR A 53 -16.099 -16.157 -6.727 1.00 34.15 N ATOM 808 CA THR A 53 -17.149 -15.641 -5.857 1.00 4.14 C ATOM 809 C THR A 53 -16.998 -14.139 -5.645 1.00 41.32 C ATOM 810 O THR A 53 -15.927 -13.564 -5.842 1.00 61.10 O ATOM 811 CB THR A 53 -17.139 -16.344 -4.486 1.00 62.22 C ATOM 812 OG1 THR A 53 -15.805 -16.740 -4.148 1.00 62.13 O ATOM 813 CG2 THR A 53 -18.048 -17.564 -4.498 1.00 3.15 C ATOM 0 H THR A 53 -15.382 -16.701 -6.246 1.00 34.15 H new ATOM 0 HA THR A 53 -18.098 -15.842 -6.354 1.00 4.14 H new ATOM 0 HB THR A 53 -17.509 -15.642 -3.739 1.00 62.22 H new ATOM 0 HG1 THR A 53 -15.807 -17.184 -3.275 1.00 62.13 H new ATOM 0 HG21 THR A 53 -18.025 -18.044 -3.520 1.00 3.15 H new ATOM 0 HG22 THR A 53 -19.068 -17.255 -4.727 1.00 3.15 H new ATOM 0 HG23 THR A 53 -17.703 -18.267 -5.256 1.00 3.15 H new ATOM 821 N PRO A 54 -18.095 -13.485 -5.234 1.00 63.30 N ATOM 822 CA PRO A 54 -18.109 -12.041 -4.986 1.00 2.45 C ATOM 823 C PRO A 54 -17.298 -11.657 -3.752 1.00 53.54 C ATOM 824 O PRO A 54 -16.484 -10.736 -3.797 1.00 5.52 O ATOM 825 CB PRO A 54 -19.592 -11.733 -4.768 1.00 14.24 C ATOM 826 CG PRO A 54 -20.180 -13.016 -4.291 1.00 64.44 C ATOM 827 CD PRO A 54 -19.405 -14.106 -4.979 1.00 73.54 C ATOM 0 HA PRO A 54 -17.660 -11.482 -5.807 1.00 2.45 H new ATOM 0 HB2 PRO A 54 -19.727 -10.939 -4.034 1.00 14.24 H new ATOM 0 HB3 PRO A 54 -20.067 -11.399 -5.691 1.00 14.24 H new ATOM 0 HG2 PRO A 54 -20.099 -13.104 -3.208 1.00 64.44 H new ATOM 0 HG3 PRO A 54 -21.240 -13.075 -4.537 1.00 64.44 H new ATOM 0 HD2 PRO A 54 -19.314 -14.992 -4.351 1.00 73.54 H new ATOM 0 HD3 PRO A 54 -19.888 -14.420 -5.905 1.00 73.54 H new ATOM 835 N GLU A 55 -17.528 -12.369 -2.654 1.00 5.14 N ATOM 836 CA GLU A 55 -16.818 -12.101 -1.408 1.00 43.24 C ATOM 837 C GLU A 55 -15.323 -12.366 -1.566 1.00 52.31 C ATOM 838 O GLU A 55 -14.495 -11.682 -0.966 1.00 0.12 O ATOM 839 CB GLU A 55 -17.383 -12.963 -0.277 1.00 40.45 C ATOM 840 CG GLU A 55 -18.779 -12.554 0.160 1.00 55.43 C ATOM 841 CD GLU A 55 -18.916 -11.055 0.349 1.00 31.31 C ATOM 842 OE1 GLU A 55 -18.610 -10.566 1.457 1.00 73.44 O ATOM 843 OE2 GLU A 55 -19.329 -10.372 -0.611 1.00 42.23 O ATOM 0 H GLU A 55 -18.199 -13.135 -2.601 1.00 5.14 H new ATOM 0 HA GLU A 55 -16.959 -11.049 -1.158 1.00 43.24 H new ATOM 0 HB2 GLU A 55 -17.403 -14.004 -0.600 1.00 40.45 H new ATOM 0 HB3 GLU A 55 -16.712 -12.908 0.580 1.00 40.45 H new ATOM 0 HG2 GLU A 55 -19.501 -12.890 -0.584 1.00 55.43 H new ATOM 0 HG3 GLU A 55 -19.025 -13.058 1.094 1.00 55.43 H new ATOM 850 N GLU A 56 -14.987 -13.364 -2.378 1.00 14.33 N ATOM 851 CA GLU A 56 -13.593 -13.720 -2.613 1.00 52.11 C ATOM 852 C GLU A 56 -12.862 -12.601 -3.349 1.00 55.52 C ATOM 853 O GLU A 56 -11.683 -12.347 -3.103 1.00 4.32 O ATOM 854 CB GLU A 56 -13.504 -15.018 -3.419 1.00 12.25 C ATOM 855 CG GLU A 56 -12.090 -15.558 -3.549 1.00 2.42 C ATOM 856 CD GLU A 56 -11.624 -16.281 -2.300 1.00 74.53 C ATOM 857 OE1 GLU A 56 -12.405 -16.351 -1.328 1.00 42.41 O ATOM 858 OE2 GLU A 56 -10.479 -16.779 -2.296 1.00 61.22 O ATOM 0 H GLU A 56 -15.661 -13.939 -2.883 1.00 14.33 H new ATOM 0 HA GLU A 56 -13.115 -13.868 -1.645 1.00 52.11 H new ATOM 0 HB2 GLU A 56 -14.130 -15.774 -2.945 1.00 12.25 H new ATOM 0 HB3 GLU A 56 -13.911 -14.846 -4.415 1.00 12.25 H new ATOM 0 HG2 GLU A 56 -12.042 -16.240 -4.398 1.00 2.42 H new ATOM 0 HG3 GLU A 56 -11.409 -14.734 -3.763 1.00 2.42 H new ATOM 865 N LEU A 57 -13.571 -11.935 -4.254 1.00 53.40 N ATOM 866 CA LEU A 57 -12.991 -10.842 -5.028 1.00 33.23 C ATOM 867 C LEU A 57 -12.457 -9.748 -4.109 1.00 30.10 C ATOM 868 O LEU A 57 -11.287 -9.374 -4.189 1.00 73.33 O ATOM 869 CB LEU A 57 -14.034 -10.258 -5.983 1.00 24.02 C ATOM 870 CG LEU A 57 -14.267 -11.035 -7.279 1.00 24.32 C ATOM 871 CD1 LEU A 57 -15.707 -10.882 -7.742 1.00 11.14 C ATOM 872 CD2 LEU A 57 -13.304 -10.568 -8.361 1.00 72.42 C ATOM 0 H LEU A 57 -14.548 -12.132 -4.470 1.00 53.40 H new ATOM 0 HA LEU A 57 -12.159 -11.241 -5.608 1.00 33.23 H new ATOM 0 HB2 LEU A 57 -14.983 -10.184 -5.452 1.00 24.02 H new ATOM 0 HB3 LEU A 57 -13.733 -9.243 -6.241 1.00 24.02 H new ATOM 0 HG LEU A 57 -14.080 -12.091 -7.085 1.00 24.32 H new ATOM 0 HD11 LEU A 57 -15.854 -11.442 -8.666 1.00 11.14 H new ATOM 0 HD12 LEU A 57 -16.379 -11.266 -6.974 1.00 11.14 H new ATOM 0 HD13 LEU A 57 -15.922 -9.828 -7.918 1.00 11.14 H new ATOM 0 HD21 LEU A 57 -13.484 -11.132 -9.276 1.00 72.42 H new ATOM 0 HD22 LEU A 57 -13.459 -9.506 -8.552 1.00 72.42 H new ATOM 0 HD23 LEU A 57 -12.278 -10.731 -8.030 1.00 72.42 H new ATOM 884 N GLN A 58 -13.322 -9.241 -3.236 1.00 64.10 N ATOM 885 CA GLN A 58 -12.935 -8.191 -2.301 1.00 53.11 C ATOM 886 C GLN A 58 -11.765 -8.640 -1.431 1.00 55.45 C ATOM 887 O GLN A 58 -11.011 -7.815 -0.917 1.00 12.13 O ATOM 888 CB GLN A 58 -14.123 -7.803 -1.418 1.00 43.45 C ATOM 889 CG GLN A 58 -13.738 -6.943 -0.225 1.00 54.43 C ATOM 890 CD GLN A 58 -14.784 -5.895 0.100 1.00 53.52 C ATOM 891 OE1 GLN A 58 -15.801 -6.190 0.728 1.00 12.33 O ATOM 892 NE2 GLN A 58 -14.540 -4.661 -0.328 1.00 23.35 N ATOM 0 H GLN A 58 -14.294 -9.540 -3.157 1.00 64.10 H new ATOM 0 HA GLN A 58 -12.621 -7.322 -2.879 1.00 53.11 H new ATOM 0 HB2 GLN A 58 -14.854 -7.266 -2.022 1.00 43.45 H new ATOM 0 HB3 GLN A 58 -14.610 -8.710 -1.060 1.00 43.45 H new ATOM 0 HG2 GLN A 58 -13.587 -7.582 0.645 1.00 54.43 H new ATOM 0 HG3 GLN A 58 -12.787 -6.451 -0.428 1.00 54.43 H new ATOM 0 HE21 GLN A 58 -13.684 -4.460 -0.845 1.00 23.35 H new ATOM 0 HE22 GLN A 58 -15.209 -3.914 -0.139 1.00 23.35 H new ATOM 901 N GLU A 59 -11.622 -9.952 -1.272 1.00 42.42 N ATOM 902 CA GLU A 59 -10.544 -10.509 -0.463 1.00 50.34 C ATOM 903 C GLU A 59 -9.182 -10.100 -1.016 1.00 63.24 C ATOM 904 O GLU A 59 -8.350 -9.545 -0.299 1.00 53.31 O ATOM 905 CB GLU A 59 -10.650 -12.034 -0.414 1.00 21.42 C ATOM 906 CG GLU A 59 -9.963 -12.653 0.792 1.00 33.31 C ATOM 907 CD GLU A 59 -8.457 -12.720 0.635 1.00 64.31 C ATOM 908 OE1 GLU A 59 -7.990 -13.036 -0.480 1.00 55.41 O ATOM 909 OE2 GLU A 59 -7.744 -12.458 1.626 1.00 41.20 O ATOM 0 H GLU A 59 -12.238 -10.648 -1.692 1.00 42.42 H new ATOM 0 HA GLU A 59 -10.640 -10.113 0.548 1.00 50.34 H new ATOM 0 HB2 GLU A 59 -11.703 -12.317 -0.407 1.00 21.42 H new ATOM 0 HB3 GLU A 59 -10.215 -12.450 -1.323 1.00 21.42 H new ATOM 0 HG2 GLU A 59 -10.206 -12.072 1.682 1.00 33.31 H new ATOM 0 HG3 GLU A 59 -10.353 -13.658 0.951 1.00 33.31 H new ATOM 916 N MET A 60 -8.961 -10.380 -2.297 1.00 32.44 N ATOM 917 CA MET A 60 -7.700 -10.042 -2.946 1.00 53.25 C ATOM 918 C MET A 60 -7.552 -8.531 -3.092 1.00 13.53 C ATOM 919 O MET A 60 -6.439 -8.013 -3.184 1.00 2.25 O ATOM 920 CB MET A 60 -7.615 -10.709 -4.321 1.00 1.34 C ATOM 921 CG MET A 60 -8.380 -9.967 -5.405 1.00 33.34 C ATOM 922 SD MET A 60 -9.174 -11.081 -6.580 1.00 13.14 S ATOM 923 CE MET A 60 -8.240 -10.727 -8.066 1.00 52.42 C ATOM 0 H MET A 60 -9.639 -10.840 -2.905 1.00 32.44 H new ATOM 0 HA MET A 60 -6.887 -10.411 -2.320 1.00 53.25 H new ATOM 0 HB2 MET A 60 -6.568 -10.786 -4.614 1.00 1.34 H new ATOM 0 HB3 MET A 60 -8.001 -11.726 -4.247 1.00 1.34 H new ATOM 0 HG2 MET A 60 -9.137 -9.334 -4.942 1.00 33.34 H new ATOM 0 HG3 MET A 60 -7.697 -9.307 -5.940 1.00 33.34 H new ATOM 0 HE1 MET A 60 -8.614 -11.341 -8.886 1.00 52.42 H new ATOM 0 HE2 MET A 60 -8.350 -9.673 -8.322 1.00 52.42 H new ATOM 0 HE3 MET A 60 -7.187 -10.951 -7.896 1.00 52.42 H new ATOM 933 N ILE A 61 -8.681 -7.829 -3.112 1.00 63.32 N ATOM 934 CA ILE A 61 -8.675 -6.378 -3.246 1.00 12.25 C ATOM 935 C ILE A 61 -8.324 -5.706 -1.923 1.00 3.43 C ATOM 936 O ILE A 61 -7.865 -4.563 -1.898 1.00 21.43 O ATOM 937 CB ILE A 61 -10.039 -5.852 -3.729 1.00 55.32 C ATOM 938 CG1 ILE A 61 -10.354 -6.395 -5.125 1.00 14.44 C ATOM 939 CG2 ILE A 61 -10.050 -4.330 -3.732 1.00 23.40 C ATOM 940 CD1 ILE A 61 -11.685 -5.925 -5.670 1.00 2.52 C ATOM 0 H ILE A 61 -9.611 -8.242 -3.037 1.00 63.32 H new ATOM 0 HA ILE A 61 -7.916 -6.133 -3.989 1.00 12.25 H new ATOM 0 HB ILE A 61 -10.810 -6.200 -3.041 1.00 55.32 H new ATOM 0 HG12 ILE A 61 -9.563 -6.093 -5.811 1.00 14.44 H new ATOM 0 HG13 ILE A 61 -10.348 -7.484 -5.092 1.00 14.44 H new ATOM 0 HG21 ILE A 61 -11.021 -3.974 -4.076 1.00 23.40 H new ATOM 0 HG22 ILE A 61 -9.866 -3.963 -2.722 1.00 23.40 H new ATOM 0 HG23 ILE A 61 -9.271 -3.962 -4.400 1.00 23.40 H new ATOM 0 HD11 ILE A 61 -11.842 -6.349 -6.662 1.00 2.52 H new ATOM 0 HD12 ILE A 61 -12.486 -6.250 -5.006 1.00 2.52 H new ATOM 0 HD13 ILE A 61 -11.688 -4.837 -5.736 1.00 2.52 H new ATOM 952 N ASP A 62 -8.540 -6.422 -0.825 1.00 73.34 N ATOM 953 CA ASP A 62 -8.244 -5.897 0.502 1.00 4.31 C ATOM 954 C ASP A 62 -6.745 -5.671 0.675 1.00 62.31 C ATOM 955 O ASP A 62 -6.315 -4.607 1.117 1.00 10.43 O ATOM 956 CB ASP A 62 -8.755 -6.854 1.579 1.00 34.33 C ATOM 957 CG ASP A 62 -8.454 -6.363 2.981 1.00 24.24 C ATOM 958 OD1 ASP A 62 -8.389 -5.131 3.178 1.00 70.40 O ATOM 959 OD2 ASP A 62 -8.283 -7.210 3.882 1.00 22.55 O ATOM 0 H ASP A 62 -8.920 -7.369 -0.828 1.00 73.34 H new ATOM 0 HA ASP A 62 -8.753 -4.939 0.608 1.00 4.31 H new ATOM 0 HB2 ASP A 62 -9.831 -6.982 1.466 1.00 34.33 H new ATOM 0 HB3 ASP A 62 -8.300 -7.834 1.435 1.00 34.33 H new ATOM 964 N GLU A 63 -5.955 -6.681 0.324 1.00 71.53 N ATOM 965 CA GLU A 63 -4.504 -6.593 0.442 1.00 35.11 C ATOM 966 C GLU A 63 -3.931 -5.639 -0.602 1.00 25.05 C ATOM 967 O GLU A 63 -2.838 -5.099 -0.431 1.00 4.33 O ATOM 968 CB GLU A 63 -3.872 -7.978 0.286 1.00 54.34 C ATOM 969 CG GLU A 63 -2.960 -8.364 1.438 1.00 73.23 C ATOM 970 CD GLU A 63 -2.470 -9.796 1.339 1.00 41.43 C ATOM 971 OE1 GLU A 63 -2.208 -10.255 0.207 1.00 23.34 O ATOM 972 OE2 GLU A 63 -2.349 -10.456 2.391 1.00 5.04 O ATOM 0 H GLU A 63 -6.295 -7.569 -0.044 1.00 71.53 H new ATOM 0 HA GLU A 63 -4.268 -6.204 1.433 1.00 35.11 H new ATOM 0 HB2 GLU A 63 -4.664 -8.721 0.196 1.00 54.34 H new ATOM 0 HB3 GLU A 63 -3.302 -8.005 -0.643 1.00 54.34 H new ATOM 0 HG2 GLU A 63 -2.103 -7.691 1.459 1.00 73.23 H new ATOM 0 HG3 GLU A 63 -3.493 -8.231 2.379 1.00 73.23 H new ATOM 979 N VAL A 64 -4.676 -5.437 -1.684 1.00 22.24 N ATOM 980 CA VAL A 64 -4.243 -4.549 -2.755 1.00 45.34 C ATOM 981 C VAL A 64 -4.532 -3.092 -2.412 1.00 5.30 C ATOM 982 O VAL A 64 -3.655 -2.233 -2.515 1.00 21.43 O ATOM 983 CB VAL A 64 -4.933 -4.898 -4.087 1.00 51.52 C ATOM 984 CG1 VAL A 64 -4.588 -3.869 -5.153 1.00 50.13 C ATOM 985 CG2 VAL A 64 -4.543 -6.297 -4.539 1.00 10.23 C ATOM 0 H VAL A 64 -5.583 -5.877 -1.842 1.00 22.24 H new ATOM 0 HA VAL A 64 -3.167 -4.687 -2.865 1.00 45.34 H new ATOM 0 HB VAL A 64 -6.012 -4.879 -3.933 1.00 51.52 H new ATOM 0 HG11 VAL A 64 -5.084 -4.132 -6.087 1.00 50.13 H new ATOM 0 HG12 VAL A 64 -4.923 -2.883 -4.829 1.00 50.13 H new ATOM 0 HG13 VAL A 64 -3.509 -3.853 -5.308 1.00 50.13 H new ATOM 0 HG21 VAL A 64 -5.040 -6.527 -5.482 1.00 10.23 H new ATOM 0 HG22 VAL A 64 -3.463 -6.347 -4.677 1.00 10.23 H new ATOM 0 HG23 VAL A 64 -4.846 -7.021 -3.783 1.00 10.23 H new ATOM 995 N ASP A 65 -5.766 -2.820 -2.003 1.00 41.34 N ATOM 996 CA ASP A 65 -6.171 -1.466 -1.643 1.00 30.13 C ATOM 997 C ASP A 65 -5.392 -0.971 -0.428 1.00 45.15 C ATOM 998 O ASP A 65 -5.654 -1.385 0.700 1.00 14.21 O ATOM 999 CB ASP A 65 -7.672 -1.420 -1.354 1.00 53.00 C ATOM 1000 CG ASP A 65 -8.256 -0.034 -1.546 1.00 35.23 C ATOM 1001 OD1 ASP A 65 -7.498 0.951 -1.428 1.00 51.32 O ATOM 1002 OD2 ASP A 65 -9.472 0.065 -1.814 1.00 62.12 O ATOM 0 H ASP A 65 -6.503 -3.519 -1.912 1.00 41.34 H new ATOM 0 HA ASP A 65 -5.950 -0.811 -2.486 1.00 30.13 H new ATOM 0 HB2 ASP A 65 -8.187 -2.122 -2.010 1.00 53.00 H new ATOM 0 HB3 ASP A 65 -7.852 -1.749 -0.330 1.00 53.00 H new ATOM 1007 N GLU A 66 -4.431 -0.084 -0.669 1.00 54.44 N ATOM 1008 CA GLU A 66 -3.613 0.466 0.405 1.00 62.11 C ATOM 1009 C GLU A 66 -4.455 1.321 1.347 1.00 2.24 C ATOM 1010 O GLU A 66 -4.253 1.308 2.562 1.00 74.41 O ATOM 1011 CB GLU A 66 -2.467 1.300 -0.172 1.00 53.22 C ATOM 1012 CG GLU A 66 -2.932 2.427 -1.080 1.00 30.32 C ATOM 1013 CD GLU A 66 -3.135 3.731 -0.334 1.00 4.14 C ATOM 1014 OE1 GLU A 66 -3.036 3.725 0.911 1.00 20.21 O ATOM 1015 OE2 GLU A 66 -3.392 4.759 -0.995 1.00 63.34 O ATOM 0 H GLU A 66 -4.200 0.268 -1.598 1.00 54.44 H new ATOM 0 HA GLU A 66 -3.197 -0.366 0.972 1.00 62.11 H new ATOM 0 HB2 GLU A 66 -1.887 1.722 0.649 1.00 53.22 H new ATOM 0 HB3 GLU A 66 -1.799 0.646 -0.732 1.00 53.22 H new ATOM 0 HG2 GLU A 66 -2.198 2.576 -1.872 1.00 30.32 H new ATOM 0 HG3 GLU A 66 -3.867 2.139 -1.561 1.00 30.32 H new ATOM 1022 N ASP A 67 -5.398 2.064 0.779 1.00 44.42 N ATOM 1023 CA ASP A 67 -6.271 2.926 1.567 1.00 11.10 C ATOM 1024 C ASP A 67 -7.579 2.215 1.901 1.00 63.12 C ATOM 1025 O ASP A 67 -8.389 2.716 2.679 1.00 4.24 O ATOM 1026 CB ASP A 67 -6.560 4.224 0.811 1.00 74.32 C ATOM 1027 CG ASP A 67 -7.705 4.078 -0.172 1.00 74.11 C ATOM 1028 OD1 ASP A 67 -7.475 3.543 -1.277 1.00 43.53 O ATOM 1029 OD2 ASP A 67 -8.832 4.497 0.164 1.00 53.40 O ATOM 0 H ASP A 67 -5.578 2.087 -0.225 1.00 44.42 H new ATOM 0 HA ASP A 67 -5.759 3.164 2.499 1.00 11.10 H new ATOM 0 HB2 ASP A 67 -6.797 5.012 1.526 1.00 74.32 H new ATOM 0 HB3 ASP A 67 -5.663 4.537 0.276 1.00 74.32 H new ATOM 1034 N GLY A 68 -7.778 1.043 1.305 1.00 53.12 N ATOM 1035 CA GLY A 68 -8.990 0.283 1.551 1.00 64.34 C ATOM 1036 C GLY A 68 -10.245 1.100 1.318 1.00 3.43 C ATOM 1037 O GLY A 68 -11.147 1.117 2.155 1.00 20.54 O ATOM 0 H GLY A 68 -7.122 0.607 0.657 1.00 53.12 H new ATOM 0 HA2 GLY A 68 -9.004 -0.592 0.901 1.00 64.34 H new ATOM 0 HA3 GLY A 68 -8.984 -0.082 2.578 1.00 64.34 H new ATOM 1041 N SER A 69 -10.302 1.783 0.179 1.00 72.40 N ATOM 1042 CA SER A 69 -11.454 2.611 -0.159 1.00 3.25 C ATOM 1043 C SER A 69 -12.662 1.747 -0.504 1.00 35.23 C ATOM 1044 O SER A 69 -13.795 2.227 -0.536 1.00 4.15 O ATOM 1045 CB SER A 69 -11.119 3.532 -1.333 1.00 50.42 C ATOM 1046 OG SER A 69 -10.017 3.036 -2.073 1.00 20.11 O ATOM 0 H SER A 69 -9.564 1.779 -0.525 1.00 72.40 H new ATOM 0 HA SER A 69 -11.701 3.219 0.711 1.00 3.25 H new ATOM 0 HB2 SER A 69 -11.987 3.625 -1.986 1.00 50.42 H new ATOM 0 HB3 SER A 69 -10.891 4.531 -0.962 1.00 50.42 H new ATOM 1052 N GLY A 70 -12.412 0.467 -0.762 1.00 74.42 N ATOM 1053 CA GLY A 70 -13.489 -0.446 -1.102 1.00 2.50 C ATOM 1054 C GLY A 70 -13.529 -0.769 -2.582 1.00 51.13 C ATOM 1055 O GLY A 70 -14.412 -1.493 -3.044 1.00 41.33 O ATOM 0 H GLY A 70 -11.483 0.046 -0.742 1.00 74.42 H new ATOM 0 HA2 GLY A 70 -13.371 -1.369 -0.535 1.00 2.50 H new ATOM 0 HA3 GLY A 70 -14.441 -0.007 -0.803 1.00 2.50 H new ATOM 1059 N THR A 71 -12.571 -0.230 -3.331 1.00 33.24 N ATOM 1060 CA THR A 71 -12.502 -0.463 -4.768 1.00 13.23 C ATOM 1061 C THR A 71 -11.066 -0.372 -5.271 1.00 54.41 C ATOM 1062 O THR A 71 -10.152 -0.048 -4.514 1.00 4.35 O ATOM 1063 CB THR A 71 -13.371 0.546 -5.542 1.00 41.24 C ATOM 1064 OG1 THR A 71 -13.066 1.880 -5.121 1.00 12.33 O ATOM 1065 CG2 THR A 71 -14.850 0.266 -5.325 1.00 72.41 C ATOM 0 H THR A 71 -11.832 0.371 -2.965 1.00 33.24 H new ATOM 0 HA THR A 71 -12.882 -1.469 -4.945 1.00 13.23 H new ATOM 0 HB THR A 71 -13.150 0.441 -6.604 1.00 41.24 H new ATOM 0 HG1 THR A 71 -13.622 2.515 -5.619 1.00 12.33 H new ATOM 0 HG21 THR A 71 -15.443 0.992 -5.882 1.00 72.41 H new ATOM 0 HG22 THR A 71 -15.085 -0.739 -5.674 1.00 72.41 H new ATOM 0 HG23 THR A 71 -15.083 0.345 -4.263 1.00 72.41 H new ATOM 1073 N VAL A 72 -10.875 -0.659 -6.555 1.00 2.51 N ATOM 1074 CA VAL A 72 -9.549 -0.607 -7.160 1.00 74.12 C ATOM 1075 C VAL A 72 -9.368 0.667 -7.977 1.00 44.05 C ATOM 1076 O VAL A 72 -10.162 0.963 -8.870 1.00 15.13 O ATOM 1077 CB VAL A 72 -9.299 -1.826 -8.068 1.00 32.12 C ATOM 1078 CG1 VAL A 72 -8.283 -1.488 -9.148 1.00 25.44 C ATOM 1079 CG2 VAL A 72 -8.837 -3.018 -7.243 1.00 52.10 C ATOM 0 H VAL A 72 -11.621 -0.930 -7.196 1.00 2.51 H new ATOM 0 HA VAL A 72 -8.827 -0.617 -6.343 1.00 74.12 H new ATOM 0 HB VAL A 72 -10.236 -2.093 -8.556 1.00 32.12 H new ATOM 0 HG11 VAL A 72 -8.119 -2.361 -9.780 1.00 25.44 H new ATOM 0 HG12 VAL A 72 -8.659 -0.665 -9.756 1.00 25.44 H new ATOM 0 HG13 VAL A 72 -7.342 -1.195 -8.683 1.00 25.44 H new ATOM 0 HG21 VAL A 72 -8.665 -3.871 -7.900 1.00 52.10 H new ATOM 0 HG22 VAL A 72 -7.911 -2.766 -6.726 1.00 52.10 H new ATOM 0 HG23 VAL A 72 -9.603 -3.273 -6.511 1.00 52.10 H new ATOM 1089 N ASP A 73 -8.316 1.417 -7.667 1.00 52.21 N ATOM 1090 CA ASP A 73 -8.028 2.660 -8.374 1.00 32.12 C ATOM 1091 C ASP A 73 -6.996 2.433 -9.474 1.00 72.30 C ATOM 1092 O ASP A 73 -6.557 1.306 -9.704 1.00 64.12 O ATOM 1093 CB ASP A 73 -7.524 3.723 -7.396 1.00 71.41 C ATOM 1094 CG ASP A 73 -8.168 5.075 -7.629 1.00 45.41 C ATOM 1095 OD1 ASP A 73 -9.279 5.301 -7.107 1.00 73.25 O ATOM 1096 OD2 ASP A 73 -7.560 5.908 -8.334 1.00 3.52 O ATOM 0 H ASP A 73 -7.649 1.186 -6.931 1.00 52.21 H new ATOM 0 HA ASP A 73 -8.952 3.010 -8.834 1.00 32.12 H new ATOM 0 HB2 ASP A 73 -7.726 3.399 -6.375 1.00 71.41 H new ATOM 0 HB3 ASP A 73 -6.442 3.818 -7.492 1.00 71.41 H new ATOM 1101 N PHE A 74 -6.614 3.510 -10.152 1.00 13.13 N ATOM 1102 CA PHE A 74 -5.635 3.428 -11.230 1.00 14.25 C ATOM 1103 C PHE A 74 -4.325 2.828 -10.729 1.00 61.45 C ATOM 1104 O PHE A 74 -3.746 1.951 -11.372 1.00 34.12 O ATOM 1105 CB PHE A 74 -5.380 4.816 -11.822 1.00 34.31 C ATOM 1106 CG PHE A 74 -5.224 4.810 -13.316 1.00 4.23 C ATOM 1107 CD1 PHE A 74 -4.622 3.740 -13.958 1.00 40.13 C ATOM 1108 CD2 PHE A 74 -5.678 5.875 -14.077 1.00 72.43 C ATOM 1109 CE1 PHE A 74 -4.476 3.733 -15.333 1.00 22.14 C ATOM 1110 CE2 PHE A 74 -5.535 5.873 -15.452 1.00 71.21 C ATOM 1111 CZ PHE A 74 -4.934 4.800 -16.081 1.00 21.15 C ATOM 0 H PHE A 74 -6.967 4.450 -9.974 1.00 13.13 H new ATOM 0 HA PHE A 74 -6.039 2.778 -12.006 1.00 14.25 H new ATOM 0 HB2 PHE A 74 -6.206 5.474 -11.553 1.00 34.31 H new ATOM 0 HB3 PHE A 74 -4.480 5.235 -11.372 1.00 34.31 H new ATOM 0 HD1 PHE A 74 -4.263 2.902 -13.378 1.00 40.13 H new ATOM 0 HD2 PHE A 74 -6.149 6.716 -13.590 1.00 72.43 H new ATOM 0 HE1 PHE A 74 -4.004 2.894 -15.822 1.00 22.14 H new ATOM 0 HE2 PHE A 74 -5.893 6.710 -16.034 1.00 71.21 H new ATOM 0 HZ PHE A 74 -4.822 4.795 -17.155 1.00 21.15 H new ATOM 1121 N ASP A 75 -3.862 3.306 -9.580 1.00 15.32 N ATOM 1122 CA ASP A 75 -2.621 2.817 -8.992 1.00 44.22 C ATOM 1123 C ASP A 75 -2.724 1.331 -8.662 1.00 42.42 C ATOM 1124 O ASP A 75 -1.951 0.519 -9.169 1.00 22.15 O ATOM 1125 CB ASP A 75 -2.282 3.611 -7.729 1.00 60.52 C ATOM 1126 CG ASP A 75 -0.952 3.201 -7.127 1.00 51.04 C ATOM 1127 OD1 ASP A 75 -0.861 2.072 -6.601 1.00 70.24 O ATOM 1128 OD2 ASP A 75 -0.002 4.009 -7.183 1.00 51.32 O ATOM 0 H ASP A 75 -4.328 4.033 -9.037 1.00 15.32 H new ATOM 0 HA ASP A 75 -1.823 2.954 -9.722 1.00 44.22 H new ATOM 0 HB2 ASP A 75 -2.257 4.674 -7.968 1.00 60.52 H new ATOM 0 HB3 ASP A 75 -3.071 3.468 -6.991 1.00 60.52 H new ATOM 1133 N GLU A 76 -3.683 0.985 -7.809 1.00 70.15 N ATOM 1134 CA GLU A 76 -3.885 -0.403 -7.411 1.00 31.20 C ATOM 1135 C GLU A 76 -4.120 -1.291 -8.630 1.00 41.50 C ATOM 1136 O GLU A 76 -3.689 -2.443 -8.664 1.00 63.10 O ATOM 1137 CB GLU A 76 -5.071 -0.514 -6.450 1.00 43.31 C ATOM 1138 CG GLU A 76 -4.768 -0.008 -5.050 1.00 14.43 C ATOM 1139 CD GLU A 76 -5.938 0.734 -4.432 1.00 51.13 C ATOM 1140 OE1 GLU A 76 -7.074 0.220 -4.511 1.00 42.55 O ATOM 1141 OE2 GLU A 76 -5.718 1.827 -3.871 1.00 13.35 O ATOM 0 H GLU A 76 -4.331 1.646 -7.381 1.00 70.15 H new ATOM 0 HA GLU A 76 -2.982 -0.743 -6.904 1.00 31.20 H new ATOM 0 HB2 GLU A 76 -5.911 0.048 -6.857 1.00 43.31 H new ATOM 0 HB3 GLU A 76 -5.384 -1.556 -6.391 1.00 43.31 H new ATOM 0 HG2 GLU A 76 -4.500 -0.851 -4.413 1.00 14.43 H new ATOM 0 HG3 GLU A 76 -3.902 0.653 -5.086 1.00 14.43 H new ATOM 1148 N TRP A 77 -4.806 -0.745 -9.628 1.00 32.24 N ATOM 1149 CA TRP A 77 -5.099 -1.487 -10.849 1.00 33.03 C ATOM 1150 C TRP A 77 -3.826 -1.751 -11.644 1.00 63.40 C ATOM 1151 O TRP A 77 -3.722 -2.753 -12.353 1.00 65.05 O ATOM 1152 CB TRP A 77 -6.102 -0.717 -11.709 1.00 52.04 C ATOM 1153 CG TRP A 77 -6.591 -1.496 -12.892 1.00 72.45 C ATOM 1154 CD1 TRP A 77 -7.776 -2.167 -12.999 1.00 54.53 C ATOM 1155 CD2 TRP A 77 -5.906 -1.688 -14.135 1.00 55.52 C ATOM 1156 NE1 TRP A 77 -7.870 -2.763 -14.234 1.00 4.12 N ATOM 1157 CE2 TRP A 77 -6.736 -2.483 -14.950 1.00 22.33 C ATOM 1158 CE3 TRP A 77 -4.675 -1.262 -14.640 1.00 62.31 C ATOM 1159 CZ2 TRP A 77 -6.370 -2.862 -16.239 1.00 14.32 C ATOM 1160 CZ3 TRP A 77 -4.314 -1.639 -15.920 1.00 25.04 C ATOM 1161 CH2 TRP A 77 -5.159 -2.431 -16.708 1.00 21.44 C ATOM 0 H TRP A 77 -5.169 0.208 -9.616 1.00 32.24 H new ATOM 0 HA TRP A 77 -5.534 -2.446 -10.567 1.00 33.03 H new ATOM 0 HB2 TRP A 77 -6.955 -0.432 -11.093 1.00 52.04 H new ATOM 0 HB3 TRP A 77 -5.638 0.206 -12.057 1.00 52.04 H new ATOM 0 HD1 TRP A 77 -8.529 -2.221 -12.226 1.00 54.53 H new ATOM 0 HE1 TRP A 77 -8.656 -3.323 -14.564 1.00 4.12 H new ATOM 0 HE3 TRP A 77 -4.017 -0.649 -14.041 1.00 62.31 H new ATOM 0 HZ2 TRP A 77 -7.019 -3.475 -16.847 1.00 14.32 H new ATOM 0 HZ3 TRP A 77 -3.364 -1.317 -16.320 1.00 25.04 H new ATOM 0 HH2 TRP A 77 -4.849 -2.707 -17.705 1.00 21.44 H new ATOM 1172 N LEU A 78 -2.859 -0.849 -11.522 1.00 1.42 N ATOM 1173 CA LEU A 78 -1.591 -0.985 -12.230 1.00 23.13 C ATOM 1174 C LEU A 78 -0.757 -2.119 -11.641 1.00 14.34 C ATOM 1175 O LEU A 78 -0.240 -2.966 -12.369 1.00 4.24 O ATOM 1176 CB LEU A 78 -0.805 0.326 -12.167 1.00 14.20 C ATOM 1177 CG LEU A 78 -0.821 1.179 -13.436 1.00 44.01 C ATOM 1178 CD1 LEU A 78 0.181 0.647 -14.449 1.00 70.40 C ATOM 1179 CD2 LEU A 78 -2.219 1.218 -14.036 1.00 3.14 C ATOM 0 H LEU A 78 -2.929 -0.015 -10.939 1.00 1.42 H new ATOM 0 HA LEU A 78 -1.809 -1.221 -13.272 1.00 23.13 H new ATOM 0 HB2 LEU A 78 -1.200 0.924 -11.346 1.00 14.20 H new ATOM 0 HB3 LEU A 78 0.231 0.094 -11.922 1.00 14.20 H new ATOM 0 HG LEU A 78 -0.533 2.196 -13.170 1.00 44.01 H new ATOM 0 HD11 LEU A 78 0.156 1.266 -15.346 1.00 70.40 H new ATOM 0 HD12 LEU A 78 1.182 0.672 -14.018 1.00 70.40 H new ATOM 0 HD13 LEU A 78 -0.076 -0.380 -14.710 1.00 70.40 H new ATOM 0 HD21 LEU A 78 -2.211 1.830 -14.938 1.00 3.14 H new ATOM 0 HD22 LEU A 78 -2.536 0.206 -14.287 1.00 3.14 H new ATOM 0 HD23 LEU A 78 -2.913 1.647 -13.313 1.00 3.14 H new ATOM 1191 N VAL A 79 -0.634 -2.130 -10.317 1.00 42.41 N ATOM 1192 CA VAL A 79 0.134 -3.161 -9.629 1.00 53.04 C ATOM 1193 C VAL A 79 -0.520 -4.529 -9.787 1.00 63.34 C ATOM 1194 O VAL A 79 0.155 -5.558 -9.753 1.00 72.03 O ATOM 1195 CB VAL A 79 0.281 -2.845 -8.129 1.00 53.42 C ATOM 1196 CG1 VAL A 79 1.066 -1.557 -7.929 1.00 61.43 C ATOM 1197 CG2 VAL A 79 -1.086 -2.753 -7.468 1.00 32.11 C ATOM 0 H VAL A 79 -1.056 -1.436 -9.700 1.00 42.41 H new ATOM 0 HA VAL A 79 1.123 -3.178 -10.087 1.00 53.04 H new ATOM 0 HB VAL A 79 0.834 -3.657 -7.657 1.00 53.42 H new ATOM 0 HG11 VAL A 79 1.160 -1.350 -6.863 1.00 61.43 H new ATOM 0 HG12 VAL A 79 2.059 -1.664 -8.366 1.00 61.43 H new ATOM 0 HG13 VAL A 79 0.543 -0.733 -8.414 1.00 61.43 H new ATOM 0 HG21 VAL A 79 -0.963 -2.529 -6.408 1.00 32.11 H new ATOM 0 HG22 VAL A 79 -1.666 -1.961 -7.941 1.00 32.11 H new ATOM 0 HG23 VAL A 79 -1.609 -3.703 -7.580 1.00 32.11 H new ATOM 1207 N MET A 80 -1.837 -4.533 -9.961 1.00 34.32 N ATOM 1208 CA MET A 80 -2.582 -5.776 -10.126 1.00 33.00 C ATOM 1209 C MET A 80 -1.973 -6.632 -11.232 1.00 54.01 C ATOM 1210 O MET A 80 -1.751 -7.829 -11.052 1.00 0.22 O ATOM 1211 CB MET A 80 -4.049 -5.478 -10.444 1.00 63.24 C ATOM 1212 CG MET A 80 -4.935 -5.401 -9.212 1.00 3.54 C ATOM 1213 SD MET A 80 -6.657 -5.799 -9.568 1.00 23.34 S ATOM 1214 CE MET A 80 -6.893 -4.928 -11.114 1.00 53.34 C ATOM 0 H MET A 80 -2.411 -3.690 -9.991 1.00 34.32 H new ATOM 0 HA MET A 80 -2.527 -6.331 -9.190 1.00 33.00 H new ATOM 0 HB2 MET A 80 -4.110 -4.534 -10.985 1.00 63.24 H new ATOM 0 HB3 MET A 80 -4.432 -6.252 -11.109 1.00 63.24 H new ATOM 0 HG2 MET A 80 -4.557 -6.087 -8.454 1.00 3.54 H new ATOM 0 HG3 MET A 80 -4.878 -4.397 -8.790 1.00 3.54 H new ATOM 0 HE1 MET A 80 -7.947 -4.679 -11.234 1.00 53.34 H new ATOM 0 HE2 MET A 80 -6.302 -4.012 -11.110 1.00 53.34 H new ATOM 0 HE3 MET A 80 -6.574 -5.562 -11.941 1.00 53.34 H new ATOM 1224 N MET A 81 -1.707 -6.010 -12.376 1.00 64.51 N ATOM 1225 CA MET A 81 -1.122 -6.716 -13.511 1.00 35.44 C ATOM 1226 C MET A 81 0.293 -7.186 -13.189 1.00 12.32 C ATOM 1227 O MET A 81 0.646 -8.338 -13.437 1.00 41.13 O ATOM 1228 CB MET A 81 -1.104 -5.814 -14.746 1.00 15.12 C ATOM 1229 CG MET A 81 -1.549 -6.517 -16.018 1.00 43.44 C ATOM 1230 SD MET A 81 -3.290 -6.982 -15.983 1.00 54.11 S ATOM 1231 CE MET A 81 -4.072 -5.384 -16.194 1.00 30.23 C ATOM 0 H MET A 81 -1.887 -5.020 -12.542 1.00 64.51 H new ATOM 0 HA MET A 81 -1.738 -7.591 -13.719 1.00 35.44 H new ATOM 0 HB2 MET A 81 -1.753 -4.956 -14.569 1.00 15.12 H new ATOM 0 HB3 MET A 81 -0.095 -5.427 -14.888 1.00 15.12 H new ATOM 0 HG2 MET A 81 -1.369 -5.863 -16.872 1.00 43.44 H new ATOM 0 HG3 MET A 81 -0.942 -7.410 -16.166 1.00 43.44 H new ATOM 0 HE1 MET A 81 -4.719 -5.180 -15.341 1.00 30.23 H new ATOM 0 HE2 MET A 81 -3.307 -4.611 -16.263 1.00 30.23 H new ATOM 0 HE3 MET A 81 -4.667 -5.388 -17.107 1.00 30.23 H new ATOM 1241 N ALA A 82 1.098 -6.285 -12.635 1.00 64.30 N ATOM 1242 CA ALA A 82 2.474 -6.608 -12.278 1.00 22.41 C ATOM 1243 C ALA A 82 2.528 -7.782 -11.306 1.00 11.24 C ATOM 1244 O ALA A 82 3.397 -8.648 -11.411 1.00 15.14 O ATOM 1245 CB ALA A 82 3.163 -5.392 -11.678 1.00 45.44 C ATOM 0 H ALA A 82 0.821 -5.326 -12.424 1.00 64.30 H new ATOM 0 HA ALA A 82 3.000 -6.898 -13.187 1.00 22.41 H new ATOM 0 HB1 ALA A 82 4.190 -5.648 -11.416 1.00 45.44 H new ATOM 0 HB2 ALA A 82 3.166 -4.580 -12.405 1.00 45.44 H new ATOM 0 HB3 ALA A 82 2.628 -5.076 -10.782 1.00 45.44 H new ATOM 1251 N ARG A 83 1.595 -7.804 -10.359 1.00 51.54 N ATOM 1252 CA ARG A 83 1.538 -8.870 -9.367 1.00 52.00 C ATOM 1253 C ARG A 83 1.184 -10.203 -10.021 1.00 3.42 C ATOM 1254 O ARG A 83 1.511 -11.268 -9.497 1.00 35.44 O ATOM 1255 CB ARG A 83 0.512 -8.533 -8.284 1.00 34.14 C ATOM 1256 CG ARG A 83 0.220 -9.689 -7.340 1.00 41.34 C ATOM 1257 CD ARG A 83 -1.117 -10.341 -7.655 1.00 12.22 C ATOM 1258 NE ARG A 83 -1.225 -11.676 -7.073 1.00 73.14 N ATOM 1259 CZ ARG A 83 -1.449 -11.900 -5.783 1.00 64.02 C ATOM 1260 NH1 ARG A 83 -1.587 -10.882 -4.945 1.00 33.43 N ATOM 1261 NH2 ARG A 83 -1.534 -13.144 -5.330 1.00 32.04 N ATOM 0 H ARG A 83 0.868 -7.095 -10.258 1.00 51.54 H new ATOM 0 HA ARG A 83 2.523 -8.960 -8.909 1.00 52.00 H new ATOM 0 HB2 ARG A 83 0.874 -7.684 -7.704 1.00 34.14 H new ATOM 0 HB3 ARG A 83 -0.417 -8.221 -8.760 1.00 34.14 H new ATOM 0 HG2 ARG A 83 1.015 -10.431 -7.415 1.00 41.34 H new ATOM 0 HG3 ARG A 83 0.217 -9.328 -6.311 1.00 41.34 H new ATOM 0 HD2 ARG A 83 -1.924 -9.714 -7.276 1.00 12.22 H new ATOM 0 HD3 ARG A 83 -1.243 -10.405 -8.736 1.00 12.22 H new ATOM 0 HE ARG A 83 -1.123 -12.481 -7.691 1.00 73.14 H new ATOM 0 HH11 ARG A 83 -1.521 -9.925 -5.290 1.00 33.43 H new ATOM 0 HH12 ARG A 83 -1.759 -11.056 -3.955 1.00 33.43 H new ATOM 0 HH21 ARG A 83 -1.427 -13.929 -5.972 1.00 32.04 H new ATOM 0 HH22 ARG A 83 -1.706 -13.315 -4.339 1.00 32.04 H new ATOM 1275 N CYS A 84 0.516 -10.134 -11.167 1.00 32.54 N ATOM 1276 CA CYS A 84 0.116 -11.336 -11.891 1.00 45.34 C ATOM 1277 C CYS A 84 1.333 -12.049 -12.473 1.00 34.43 C ATOM 1278 O CYS A 84 1.251 -13.210 -12.873 1.00 74.12 O ATOM 1279 CB CYS A 84 -0.864 -10.979 -13.010 1.00 22.31 C ATOM 1280 SG CYS A 84 -1.843 -12.377 -13.607 1.00 22.44 S ATOM 0 H CYS A 84 0.240 -9.260 -11.615 1.00 32.54 H new ATOM 0 HA CYS A 84 -0.375 -12.008 -11.188 1.00 45.34 H new ATOM 0 HB2 CYS A 84 -1.540 -10.202 -12.652 1.00 22.31 H new ATOM 0 HB3 CYS A 84 -0.306 -10.556 -13.846 1.00 22.31 H new ATOM 0 HG CYS A 84 -2.643 -11.975 -14.550 1.00 22.44 H new ATOM 1286 N MET A 85 2.460 -11.346 -12.517 1.00 74.40 N ATOM 1287 CA MET A 85 3.693 -11.913 -13.050 1.00 71.13 C ATOM 1288 C MET A 85 4.353 -12.835 -12.030 1.00 60.21 C ATOM 1289 O MET A 85 4.631 -14.000 -12.318 1.00 52.44 O ATOM 1290 CB MET A 85 4.661 -10.798 -13.449 1.00 3.12 C ATOM 1291 CG MET A 85 4.196 -9.989 -14.649 1.00 11.25 C ATOM 1292 SD MET A 85 5.493 -8.930 -15.317 1.00 53.35 S ATOM 1293 CE MET A 85 5.999 -9.878 -16.750 1.00 22.21 C ATOM 0 H MET A 85 2.545 -10.383 -12.190 1.00 74.40 H new ATOM 0 HA MET A 85 3.442 -12.499 -13.934 1.00 71.13 H new ATOM 0 HB2 MET A 85 4.799 -10.127 -12.601 1.00 3.12 H new ATOM 0 HB3 MET A 85 5.634 -11.236 -13.671 1.00 3.12 H new ATOM 0 HG2 MET A 85 3.850 -10.668 -15.428 1.00 11.25 H new ATOM 0 HG3 MET A 85 3.343 -9.374 -14.360 1.00 11.25 H new ATOM 0 HE1 MET A 85 6.799 -9.351 -17.271 1.00 22.21 H new ATOM 0 HE2 MET A 85 6.357 -10.857 -16.431 1.00 22.21 H new ATOM 0 HE3 MET A 85 5.150 -10.003 -17.422 1.00 22.21 H new ATOM 1303 N LYS A 86 4.602 -12.308 -10.836 1.00 43.54 N ATOM 1304 CA LYS A 86 5.229 -13.083 -9.772 1.00 50.23 C ATOM 1305 C LYS A 86 4.221 -14.022 -9.118 1.00 23.41 C ATOM 1306 O LYS A 86 4.079 -14.041 -7.895 1.00 62.21 O ATOM 1307 CB LYS A 86 5.830 -12.149 -8.719 1.00 63.24 C ATOM 1308 CG LYS A 86 7.104 -12.684 -8.089 1.00 5.11 C ATOM 1309 CD LYS A 86 8.341 -12.155 -8.796 1.00 60.11 C ATOM 1310 CE LYS A 86 9.421 -11.753 -7.804 1.00 25.12 C ATOM 1311 NZ LYS A 86 10.784 -11.856 -8.396 1.00 1.42 N ATOM 0 H LYS A 86 4.379 -11.346 -10.581 1.00 43.54 H new ATOM 0 HA LYS A 86 6.025 -13.683 -10.213 1.00 50.23 H new ATOM 0 HB2 LYS A 86 6.040 -11.183 -9.179 1.00 63.24 H new ATOM 0 HB3 LYS A 86 5.092 -11.975 -7.936 1.00 63.24 H new ATOM 0 HG2 LYS A 86 7.137 -12.402 -7.037 1.00 5.11 H new ATOM 0 HG3 LYS A 86 7.100 -13.773 -8.127 1.00 5.11 H new ATOM 0 HD2 LYS A 86 8.730 -12.918 -9.470 1.00 60.11 H new ATOM 0 HD3 LYS A 86 8.071 -11.296 -9.410 1.00 60.11 H new ATOM 0 HE2 LYS A 86 9.246 -10.730 -7.471 1.00 25.12 H new ATOM 0 HE3 LYS A 86 9.359 -12.390 -6.922 1.00 25.12 H new ATOM 0 HZ1 LYS A 86 11.492 -11.574 -7.689 1.00 1.42 H new ATOM 0 HZ2 LYS A 86 10.961 -12.838 -8.691 1.00 1.42 H new ATOM 0 HZ3 LYS A 86 10.852 -11.229 -9.223 1.00 1.42 H new ATOM 1325 N ASP A 87 3.526 -14.801 -9.939 1.00 74.10 N ATOM 1326 CA ASP A 87 2.533 -15.745 -9.439 1.00 72.35 C ATOM 1327 C ASP A 87 3.207 -16.972 -8.832 1.00 54.22 C ATOM 1328 O ASP A 87 3.271 -18.030 -9.458 1.00 25.24 O ATOM 1329 CB ASP A 87 1.590 -16.171 -10.566 1.00 65.23 C ATOM 1330 CG ASP A 87 0.620 -17.252 -10.132 1.00 60.01 C ATOM 1331 OD1 ASP A 87 0.135 -17.188 -8.983 1.00 0.41 O ATOM 1332 OD2 ASP A 87 0.345 -18.162 -10.942 1.00 11.23 O ATOM 0 H ASP A 87 3.632 -14.798 -10.954 1.00 74.10 H new ATOM 0 HA ASP A 87 1.955 -15.248 -8.660 1.00 72.35 H new ATOM 0 HB2 ASP A 87 1.030 -15.303 -10.915 1.00 65.23 H new ATOM 0 HB3 ASP A 87 2.177 -16.532 -11.410 1.00 65.23 H new ATOM 1337 N ASP A 88 3.708 -16.821 -7.611 1.00 75.31 N ATOM 1338 CA ASP A 88 4.377 -17.916 -6.919 1.00 31.51 C ATOM 1339 C ASP A 88 5.604 -18.382 -7.697 1.00 12.11 C ATOM 1340 O ASP A 88 5.928 -19.569 -7.712 1.00 21.33 O ATOM 1341 CB ASP A 88 3.412 -19.086 -6.717 1.00 0.23 C ATOM 1342 CG ASP A 88 3.858 -20.019 -5.608 1.00 55.00 C ATOM 1343 OD1 ASP A 88 4.853 -19.697 -4.925 1.00 72.33 O ATOM 1344 OD2 ASP A 88 3.210 -21.071 -5.422 1.00 45.44 O ATOM 0 H ASP A 88 3.663 -15.951 -7.080 1.00 75.31 H new ATOM 0 HA ASP A 88 4.703 -17.551 -5.945 1.00 31.51 H new ATOM 0 HB2 ASP A 88 2.420 -18.699 -6.485 1.00 0.23 H new ATOM 0 HB3 ASP A 88 3.326 -19.647 -7.647 1.00 0.23 H new ATOM 1349 N SER A 89 6.281 -17.439 -8.343 1.00 43.53 N ATOM 1350 CA SER A 89 7.470 -17.753 -9.128 1.00 12.53 C ATOM 1351 C SER A 89 8.714 -17.774 -8.245 1.00 13.44 C ATOM 1352 O SER A 89 9.183 -16.712 -7.838 1.00 13.32 O ATOM 1353 CB SER A 89 7.647 -16.733 -10.254 1.00 43.41 C ATOM 1354 OG SER A 89 7.795 -15.422 -9.737 1.00 11.34 O ATOM 0 H SER A 89 6.027 -16.451 -8.339 1.00 43.53 H new ATOM 0 HA SER A 89 7.337 -18.744 -9.562 1.00 12.53 H new ATOM 0 HB2 SER A 89 8.522 -16.993 -10.850 1.00 43.41 H new ATOM 0 HB3 SER A 89 6.785 -16.769 -10.920 1.00 43.41 H new ATOM 0 HG SER A 89 8.323 -15.453 -8.912 1.00 11.34 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -8.424 1.697 -3.162 1.00 14.14 CA