USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 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: C 80 MET CE :methyl 138:sc=-0.00742 (180deg=-0.00588) USER MOD Set 1.2: C 81 MET CE :methyl -161:sc= -0.117 (180deg=-0.142) USER MOD Set 1.3: I 121 MET CE :methyl 152:sc= -0.113 (180deg=-1.31) USER MOD Single : C 1 MET CE :methyl -149:sc= -0.318 (180deg=-1.5!) USER MOD Single : C 1 MET N :NH3+ -142:sc= -0.0112 (180deg=-0.773) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 167:sc= -0.0645 (180deg=-0.279) USER MOD Single : C 11 GLN : amide:sc= -10.9! C(o=-11!,f=-15!) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0 USER MOD Single : C 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -83:sc= -0.135 USER MOD Single : C 37 SER OG : rot -67:sc= 1.06 USER MOD Single : C 38 THR OG1 : rot -78:sc= -0.26 USER MOD Single : C 39 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.194) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 173:sc= -1.71 (180deg=-1.9) USER MOD Single : C 47 MET CE :methyl -141:sc= 0 (180deg=-0.0619) USER MOD Single : C 50 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.13) USER MOD Single : C 51 ASN : amide:sc= -3.16! C(o=-3.2!,f=-4.8!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.638 USER MOD Single : C 58 GLN : amide:sc= -0.0133 K(o=-0.013,f=-1.5!) USER MOD Single : C 60 MET CE :methyl -155:sc= -0.264 (180deg=-1.52!) USER MOD Single : C 69 SER OG : rot 180:sc= -0.362 USER MOD Single : C 71 THR OG1 : rot 81:sc= -7.87! USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl -155:sc= -0.12 (180deg=-1.22) USER MOD Single : C 86 LYS NZ :NH3+ -122:sc= -1.08 (180deg=-2.99!) USER MOD Single : C 89 SER OG : rot 41:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 57.187 -13.868 22.106 1.00 0.00 N ATOM 2 CA MET C 1 56.660 -13.037 20.987 1.00 0.00 C ATOM 3 C MET C 1 56.632 -13.869 19.709 1.00 0.00 C ATOM 4 O MET C 1 56.922 -15.065 19.729 1.00 0.00 O ATOM 5 CB MET C 1 57.559 -11.814 20.795 1.00 0.00 C ATOM 6 CG MET C 1 57.645 -11.032 22.106 1.00 0.00 C ATOM 7 SD MET C 1 55.993 -10.464 22.579 1.00 0.00 S ATOM 8 CE MET C 1 55.726 -9.352 21.177 1.00 0.00 C ATOM 0 H1 MET C 1 56.668 -13.644 22.979 1.00 0.00 H new ATOM 0 H2 MET C 1 57.064 -14.875 21.878 1.00 0.00 H new ATOM 0 H3 MET C 1 58.198 -13.665 22.243 1.00 0.00 H new ATOM 0 HA MET C 1 55.649 -12.704 21.220 1.00 0.00 H new ATOM 0 HB2 MET C 1 58.554 -12.127 20.480 1.00 0.00 H new ATOM 0 HB3 MET C 1 57.161 -11.177 20.005 1.00 0.00 H new ATOM 0 HG2 MET C 1 58.063 -11.662 22.891 1.00 0.00 H new ATOM 0 HG3 MET C 1 58.315 -10.180 21.990 1.00 0.00 H new ATOM 0 HE1 MET C 1 55.094 -8.520 21.488 1.00 0.00 H new ATOM 0 HE2 MET C 1 56.685 -8.969 20.829 1.00 0.00 H new ATOM 0 HE3 MET C 1 55.238 -9.896 20.369 1.00 0.00 H new ATOM 20 N ASP C 2 56.281 -13.228 18.599 1.00 0.00 N ATOM 21 CA ASP C 2 56.218 -13.919 17.316 1.00 0.00 C ATOM 22 C ASP C 2 56.626 -12.983 16.183 1.00 0.00 C ATOM 23 O ASP C 2 57.221 -11.931 16.417 1.00 0.00 O ATOM 24 CB ASP C 2 54.799 -14.434 17.069 1.00 0.00 C ATOM 25 CG ASP C 2 54.420 -15.451 18.140 1.00 0.00 C ATOM 26 OD1 ASP C 2 55.310 -16.128 18.628 1.00 0.00 O ATOM 27 OD2 ASP C 2 53.245 -15.539 18.457 1.00 0.00 O ATOM 0 H ASP C 2 56.037 -12.238 18.561 1.00 0.00 H new ATOM 0 HA ASP C 2 56.910 -14.761 17.344 1.00 0.00 H new ATOM 0 HB2 ASP C 2 54.094 -13.602 17.080 1.00 0.00 H new ATOM 0 HB3 ASP C 2 54.736 -14.892 16.082 1.00 0.00 H new ATOM 32 N ASP C 3 56.303 -13.374 14.954 1.00 0.00 N ATOM 33 CA ASP C 3 56.641 -12.561 13.791 1.00 0.00 C ATOM 34 C ASP C 3 55.383 -12.190 13.013 1.00 0.00 C ATOM 35 O ASP C 3 54.964 -12.914 12.110 1.00 0.00 O ATOM 36 CB ASP C 3 57.600 -13.328 12.880 1.00 0.00 C ATOM 37 CG ASP C 3 56.897 -14.545 12.289 1.00 0.00 C ATOM 38 OD1 ASP C 3 55.806 -14.852 12.741 1.00 0.00 O ATOM 39 OD2 ASP C 3 57.459 -15.152 11.392 1.00 0.00 O ATOM 0 H ASP C 3 55.812 -14.242 14.739 1.00 0.00 H new ATOM 0 HA ASP C 3 57.123 -11.646 14.137 1.00 0.00 H new ATOM 0 HB2 ASP C 3 57.953 -12.677 12.080 1.00 0.00 H new ATOM 0 HB3 ASP C 3 58.477 -13.643 13.445 1.00 0.00 H new ATOM 44 N ILE C 4 54.785 -11.058 13.369 1.00 0.00 N ATOM 45 CA ILE C 4 53.575 -10.600 12.696 1.00 0.00 C ATOM 46 C ILE C 4 53.917 -9.958 11.356 1.00 0.00 C ATOM 47 O ILE C 4 53.039 -9.725 10.525 1.00 0.00 O ATOM 48 CB ILE C 4 52.839 -9.589 13.576 1.00 0.00 C ATOM 49 CG1 ILE C 4 52.450 -10.253 14.899 1.00 0.00 C ATOM 50 CG2 ILE C 4 51.577 -9.109 12.857 1.00 0.00 C ATOM 51 CD1 ILE C 4 51.933 -9.191 15.871 1.00 0.00 C ATOM 0 H ILE C 4 55.115 -10.445 14.114 1.00 0.00 H new ATOM 0 HA ILE C 4 52.932 -11.462 12.519 1.00 0.00 H new ATOM 0 HB ILE C 4 53.490 -8.738 13.773 1.00 0.00 H new ATOM 0 HG12 ILE C 4 51.683 -11.008 14.727 1.00 0.00 H new ATOM 0 HG13 ILE C 4 53.311 -10.765 15.328 1.00 0.00 H new ATOM 0 HG21 ILE C 4 51.053 -8.388 13.485 1.00 0.00 H new ATOM 0 HG22 ILE C 4 51.853 -8.636 11.914 1.00 0.00 H new ATOM 0 HG23 ILE C 4 50.925 -9.960 12.659 1.00 0.00 H new ATOM 0 HD11 ILE C 4 51.656 -9.664 16.813 1.00 0.00 H new ATOM 0 HD12 ILE C 4 52.714 -8.452 16.052 1.00 0.00 H new ATOM 0 HD13 ILE C 4 51.060 -8.699 15.442 1.00 0.00 H new ATOM 63 N TYR C 5 55.200 -9.673 11.152 1.00 0.00 N ATOM 64 CA TYR C 5 55.647 -9.057 9.908 1.00 0.00 C ATOM 65 C TYR C 5 56.221 -10.109 8.965 1.00 0.00 C ATOM 66 O TYR C 5 55.841 -10.183 7.797 1.00 0.00 O ATOM 67 CB TYR C 5 56.711 -7.998 10.203 1.00 0.00 C ATOM 68 CG TYR C 5 57.162 -8.123 11.638 1.00 0.00 C ATOM 69 CD1 TYR C 5 56.282 -7.805 12.679 1.00 0.00 C ATOM 70 CD2 TYR C 5 58.461 -8.559 11.928 1.00 0.00 C ATOM 71 CE1 TYR C 5 56.701 -7.921 14.010 1.00 0.00 C ATOM 72 CE2 TYR C 5 58.880 -8.675 13.259 1.00 0.00 C ATOM 73 CZ TYR C 5 58.000 -8.356 14.300 1.00 0.00 C ATOM 74 OH TYR C 5 58.413 -8.471 15.612 1.00 0.00 O ATOM 0 H TYR C 5 55.943 -9.857 11.826 1.00 0.00 H new ATOM 0 HA TYR C 5 54.789 -8.586 9.429 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.560 -8.124 9.532 1.00 0.00 H new ATOM 0 HB3 TYR C 5 56.307 -7.002 10.023 1.00 0.00 H new ATOM 0 HD1 TYR C 5 55.280 -7.470 12.456 1.00 0.00 H new ATOM 0 HD2 TYR C 5 59.140 -8.806 11.125 1.00 0.00 H new ATOM 0 HE1 TYR C 5 56.022 -7.675 14.813 1.00 0.00 H new ATOM 0 HE2 TYR C 5 59.882 -9.011 13.483 1.00 0.00 H new ATOM 0 HH TYR C 5 59.341 -8.786 15.637 1.00 0.00 H new ATOM 84 N LYS C 6 57.138 -10.921 9.481 1.00 0.00 N ATOM 85 CA LYS C 6 57.758 -11.967 8.675 1.00 0.00 C ATOM 86 C LYS C 6 56.712 -12.970 8.202 1.00 0.00 C ATOM 87 O LYS C 6 56.876 -13.610 7.163 1.00 0.00 O ATOM 88 CB LYS C 6 58.829 -12.691 9.493 1.00 0.00 C ATOM 89 CG LYS C 6 59.661 -11.666 10.267 1.00 0.00 C ATOM 90 CD LYS C 6 60.460 -10.809 9.284 1.00 0.00 C ATOM 91 CE LYS C 6 61.571 -10.072 10.035 1.00 0.00 C ATOM 92 NZ LYS C 6 61.727 -8.701 9.472 1.00 0.00 N ATOM 0 H LYS C 6 57.466 -10.876 10.446 1.00 0.00 H new ATOM 0 HA LYS C 6 58.219 -11.502 7.803 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.361 -13.392 10.184 1.00 0.00 H new ATOM 0 HB3 LYS C 6 59.472 -13.274 8.834 1.00 0.00 H new ATOM 0 HG2 LYS C 6 59.009 -11.034 10.870 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.337 -12.175 10.954 1.00 0.00 H new ATOM 0 HD2 LYS C 6 60.889 -11.437 8.503 1.00 0.00 H new ATOM 0 HD3 LYS C 6 59.802 -10.093 8.792 1.00 0.00 H new ATOM 0 HE2 LYS C 6 61.331 -10.015 11.097 1.00 0.00 H new ATOM 0 HE3 LYS C 6 62.509 -10.621 9.949 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 62.315 -8.128 10.110 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 62.183 -8.759 8.539 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 60.791 -8.258 9.373 1.00 0.00 H new ATOM 106 N ALA C 7 55.636 -13.103 8.971 1.00 0.00 N ATOM 107 CA ALA C 7 54.568 -14.032 8.620 1.00 0.00 C ATOM 108 C ALA C 7 53.716 -13.467 7.489 1.00 0.00 C ATOM 109 O ALA C 7 53.390 -14.170 6.533 1.00 0.00 O ATOM 110 CB ALA C 7 53.687 -14.300 9.842 1.00 0.00 C ATOM 0 H ALA C 7 55.481 -12.583 9.835 1.00 0.00 H new ATOM 0 HA ALA C 7 55.019 -14.966 8.286 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.892 -14.995 9.572 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.292 -14.733 10.639 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.249 -13.363 10.187 1.00 0.00 H new ATOM 116 N ALA C 8 53.358 -12.192 7.605 1.00 0.00 N ATOM 117 CA ALA C 8 52.543 -11.542 6.585 1.00 0.00 C ATOM 118 C ALA C 8 53.229 -11.614 5.225 1.00 0.00 C ATOM 119 O ALA C 8 52.623 -12.022 4.234 1.00 0.00 O ATOM 120 CB ALA C 8 52.304 -10.079 6.962 1.00 0.00 C ATOM 0 H ALA C 8 53.617 -11.593 8.389 1.00 0.00 H new ATOM 0 HA ALA C 8 51.587 -12.062 6.524 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.695 -9.601 6.195 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.786 -10.030 7.920 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.261 -9.562 7.040 1.00 0.00 H new ATOM 126 N VAL C 9 54.496 -11.215 5.185 1.00 0.00 N ATOM 127 CA VAL C 9 55.255 -11.239 3.940 1.00 0.00 C ATOM 128 C VAL C 9 55.047 -12.562 3.211 1.00 0.00 C ATOM 129 O VAL C 9 54.626 -12.586 2.054 1.00 0.00 O ATOM 130 CB VAL C 9 56.743 -11.043 4.232 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.945 -9.742 5.010 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.256 -12.219 5.066 1.00 0.00 C ATOM 0 H VAL C 9 55.016 -10.874 5.994 1.00 0.00 H new ATOM 0 HA VAL C 9 54.900 -10.428 3.304 1.00 0.00 H new ATOM 0 HB VAL C 9 57.294 -10.993 3.293 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.006 -9.603 5.218 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.578 -8.903 4.418 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.395 -9.791 5.950 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.317 -12.081 5.275 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.704 -12.267 6.005 1.00 0.00 H new ATOM 0 HG23 VAL C 9 57.113 -13.147 4.513 1.00 0.00 H new ATOM 142 N GLU C 10 55.345 -13.662 3.895 1.00 0.00 N ATOM 143 CA GLU C 10 55.186 -14.985 3.302 1.00 0.00 C ATOM 144 C GLU C 10 53.734 -15.223 2.903 1.00 0.00 C ATOM 145 O GLU C 10 53.452 -15.960 1.958 1.00 0.00 O ATOM 146 CB GLU C 10 55.627 -16.060 4.297 1.00 0.00 C ATOM 147 CG GLU C 10 55.677 -17.418 3.594 1.00 0.00 C ATOM 148 CD GLU C 10 56.818 -17.439 2.582 1.00 0.00 C ATOM 149 OE1 GLU C 10 57.752 -16.673 2.756 1.00 0.00 O ATOM 150 OE2 GLU C 10 56.741 -18.221 1.649 1.00 0.00 O ATOM 0 H GLU C 10 55.695 -13.664 4.853 1.00 0.00 H new ATOM 0 HA GLU C 10 55.809 -15.039 2.409 1.00 0.00 H new ATOM 0 HB2 GLU C 10 56.608 -15.813 4.704 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.934 -16.099 5.137 1.00 0.00 H new ATOM 0 HG2 GLU C 10 55.816 -18.212 4.328 1.00 0.00 H new ATOM 0 HG3 GLU C 10 54.730 -17.611 3.091 1.00 0.00 H new ATOM 157 N GLN C 11 52.815 -14.595 3.630 1.00 0.00 N ATOM 158 CA GLN C 11 51.393 -14.746 3.342 1.00 0.00 C ATOM 159 C GLN C 11 50.911 -13.629 2.422 1.00 0.00 C ATOM 160 O GLN C 11 49.852 -13.043 2.644 1.00 0.00 O ATOM 161 CB GLN C 11 50.592 -14.719 4.645 1.00 0.00 C ATOM 162 CG GLN C 11 50.715 -16.071 5.349 1.00 0.00 C ATOM 163 CD GLN C 11 52.153 -16.572 5.268 1.00 0.00 C ATOM 164 OE1 GLN C 11 52.579 -17.074 4.228 1.00 0.00 O ATOM 165 NE2 GLN C 11 52.932 -16.464 6.310 1.00 0.00 N ATOM 0 H GLN C 11 53.027 -13.981 4.417 1.00 0.00 H new ATOM 0 HA GLN C 11 51.241 -15.703 2.842 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.960 -13.925 5.294 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.545 -14.500 4.436 1.00 0.00 H new ATOM 0 HG2 GLN C 11 50.412 -15.976 6.392 1.00 0.00 H new ATOM 0 HG3 GLN C 11 50.043 -16.794 4.886 1.00 0.00 H new ATOM 0 HE21 GLN C 11 52.577 -16.048 7.171 1.00 0.00 H new ATOM 0 HE22 GLN C 11 53.895 -16.796 6.263 1.00 0.00 H new ATOM 174 N LEU C 12 51.696 -13.340 1.390 1.00 0.00 N ATOM 175 CA LEU C 12 51.339 -12.291 0.442 1.00 0.00 C ATOM 176 C LEU C 12 50.946 -12.895 -0.903 1.00 0.00 C ATOM 177 O LEU C 12 51.568 -13.847 -1.372 1.00 0.00 O ATOM 178 CB LEU C 12 52.520 -11.338 0.249 1.00 0.00 C ATOM 179 CG LEU C 12 53.721 -12.115 -0.294 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.579 -12.282 -1.808 1.00 0.00 C ATOM 181 CD2 LEU C 12 55.007 -11.345 0.014 1.00 0.00 C ATOM 0 H LEU C 12 52.577 -13.813 1.189 1.00 0.00 H new ATOM 0 HA LEU C 12 50.488 -11.740 0.843 1.00 0.00 H new ATOM 0 HB2 LEU C 12 52.248 -10.540 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.778 -10.865 1.197 1.00 0.00 H new ATOM 0 HG LEU C 12 53.762 -13.097 0.178 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.435 -12.836 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU C 12 52.663 -12.829 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU C 12 53.538 -11.300 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU C 12 55.863 -11.898 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU C 12 54.965 -10.364 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU C 12 55.110 -11.225 1.092 1.00 0.00 H new ATOM 193 N THR C 13 49.909 -12.334 -1.517 1.00 0.00 N ATOM 194 CA THR C 13 49.441 -12.826 -2.808 1.00 0.00 C ATOM 195 C THR C 13 49.974 -11.953 -3.939 1.00 0.00 C ATOM 196 O THR C 13 50.381 -10.812 -3.717 1.00 0.00 O ATOM 197 CB THR C 13 47.911 -12.831 -2.842 1.00 0.00 C ATOM 198 OG1 THR C 13 47.417 -13.560 -1.726 1.00 0.00 O ATOM 199 CG2 THR C 13 47.430 -13.487 -4.137 1.00 0.00 C ATOM 0 H THR C 13 49.380 -11.545 -1.145 1.00 0.00 H new ATOM 0 HA THR C 13 49.810 -13.842 -2.944 1.00 0.00 H new ATOM 0 HB THR C 13 47.542 -11.806 -2.799 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.437 -13.563 -1.745 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.340 -13.490 -4.160 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.810 -12.927 -4.991 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.797 -14.512 -4.184 1.00 0.00 H new ATOM 207 N GLU C 14 49.969 -12.496 -5.152 1.00 0.00 N ATOM 208 CA GLU C 14 50.455 -11.757 -6.311 1.00 0.00 C ATOM 209 C GLU C 14 49.780 -10.392 -6.398 1.00 0.00 C ATOM 210 O GLU C 14 50.286 -9.478 -7.049 1.00 0.00 O ATOM 211 CB GLU C 14 50.176 -12.549 -7.590 1.00 0.00 C ATOM 212 CG GLU C 14 50.822 -11.840 -8.782 1.00 0.00 C ATOM 213 CD GLU C 14 50.437 -12.543 -10.079 1.00 0.00 C ATOM 214 OE1 GLU C 14 49.670 -13.490 -10.011 1.00 0.00 O ATOM 215 OE2 GLU C 14 50.914 -12.125 -11.121 1.00 0.00 O ATOM 0 H GLU C 14 49.636 -13.438 -5.357 1.00 0.00 H new ATOM 0 HA GLU C 14 51.530 -11.612 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.571 -13.561 -7.497 1.00 0.00 H new ATOM 0 HB3 GLU C 14 49.101 -12.640 -7.747 1.00 0.00 H new ATOM 0 HG2 GLU C 14 50.501 -10.799 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU C 14 51.906 -11.836 -8.669 1.00 0.00 H new ATOM 222 N GLU C 15 48.633 -10.261 -5.738 1.00 0.00 N ATOM 223 CA GLU C 15 47.897 -9.003 -5.748 1.00 0.00 C ATOM 224 C GLU C 15 48.668 -7.924 -4.994 1.00 0.00 C ATOM 225 O GLU C 15 48.713 -6.769 -5.418 1.00 0.00 O ATOM 226 CB GLU C 15 46.524 -9.196 -5.101 1.00 0.00 C ATOM 227 CG GLU C 15 45.699 -7.918 -5.261 1.00 0.00 C ATOM 228 CD GLU C 15 44.364 -8.065 -4.540 1.00 0.00 C ATOM 229 OE1 GLU C 15 44.146 -9.108 -3.946 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.578 -7.133 -4.592 1.00 0.00 O ATOM 0 H GLU C 15 48.196 -11.005 -5.194 1.00 0.00 H new ATOM 0 HA GLU C 15 47.770 -8.687 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.007 -10.036 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.639 -9.437 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.248 -7.068 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU C 15 45.530 -7.714 -6.318 1.00 0.00 H new ATOM 237 N GLN C 16 49.274 -8.309 -3.876 1.00 0.00 N ATOM 238 CA GLN C 16 50.042 -7.366 -3.071 1.00 0.00 C ATOM 239 C GLN C 16 51.454 -7.213 -3.626 1.00 0.00 C ATOM 240 O GLN C 16 51.878 -6.111 -3.978 1.00 0.00 O ATOM 241 CB GLN C 16 50.111 -7.851 -1.622 1.00 0.00 C ATOM 242 CG GLN C 16 48.698 -7.935 -1.043 1.00 0.00 C ATOM 243 CD GLN C 16 48.758 -8.352 0.423 1.00 0.00 C ATOM 244 OE1 GLN C 16 49.056 -7.531 1.290 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.492 -9.586 0.752 1.00 0.00 N ATOM 0 H GLN C 16 49.249 -9.260 -3.509 1.00 0.00 H new ATOM 0 HA GLN C 16 49.543 -6.397 -3.106 1.00 0.00 H new ATOM 0 HB2 GLN C 16 50.592 -8.828 -1.577 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.719 -7.169 -1.028 1.00 0.00 H new ATOM 0 HG2 GLN C 16 48.201 -6.969 -1.135 1.00 0.00 H new ATOM 0 HG3 GLN C 16 48.106 -8.654 -1.610 1.00 0.00 H new ATOM 0 HE21 GLN C 16 48.245 -10.264 0.031 1.00 0.00 H new ATOM 0 HE22 GLN C 16 48.531 -9.873 1.730 1.00 0.00 H new ATOM 254 N LYS C 17 52.178 -8.325 -3.703 1.00 0.00 N ATOM 255 CA LYS C 17 53.543 -8.302 -4.217 1.00 0.00 C ATOM 256 C LYS C 17 53.632 -7.424 -5.461 1.00 0.00 C ATOM 257 O LYS C 17 54.501 -6.557 -5.560 1.00 0.00 O ATOM 258 CB LYS C 17 53.995 -9.723 -4.560 1.00 0.00 C ATOM 259 CG LYS C 17 55.510 -9.739 -4.772 1.00 0.00 C ATOM 260 CD LYS C 17 55.947 -11.133 -5.227 1.00 0.00 C ATOM 261 CE LYS C 17 57.475 -11.206 -5.257 1.00 0.00 C ATOM 262 NZ LYS C 17 57.899 -12.549 -5.743 1.00 0.00 N ATOM 0 H LYS C 17 51.846 -9.247 -3.419 1.00 0.00 H new ATOM 0 HA LYS C 17 54.195 -7.889 -3.447 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.722 -10.407 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.487 -10.070 -5.460 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.791 -8.996 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS C 17 56.020 -9.470 -3.847 1.00 0.00 H new ATOM 0 HD2 LYS C 17 55.550 -11.889 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS C 17 55.543 -11.347 -6.216 1.00 0.00 H new ATOM 0 HE2 LYS C 17 57.874 -10.429 -5.909 1.00 0.00 H new ATOM 0 HE3 LYS C 17 57.878 -11.024 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 58.938 -12.599 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 57.530 -13.282 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 57.526 -12.705 -6.701 1.00 0.00 H new ATOM 276 N ASN C 18 52.729 -7.654 -6.408 1.00 0.00 N ATOM 277 CA ASN C 18 52.715 -6.878 -7.643 1.00 0.00 C ATOM 278 C ASN C 18 52.813 -5.386 -7.339 1.00 0.00 C ATOM 279 O ASN C 18 53.364 -4.617 -8.126 1.00 0.00 O ATOM 280 CB ASN C 18 51.430 -7.158 -8.423 1.00 0.00 C ATOM 281 CG ASN C 18 51.480 -6.462 -9.778 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.319 -6.792 -10.616 1.00 0.00 O ATOM 283 ND2 ASN C 18 50.626 -5.513 -10.046 1.00 0.00 N ATOM 0 H ASN C 18 52.002 -8.366 -6.345 1.00 0.00 H new ATOM 0 HA ASN C 18 53.575 -7.173 -8.244 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.305 -8.232 -8.561 1.00 0.00 H new ATOM 0 HB3 ASN C 18 50.567 -6.807 -7.857 1.00 0.00 H new ATOM 0 HD21 ASN C 18 50.653 -5.043 -10.951 1.00 0.00 H new ATOM 0 HD22 ASN C 18 49.931 -5.241 -9.351 1.00 0.00 H new ATOM 290 N GLU C 19 52.275 -4.984 -6.192 1.00 0.00 N ATOM 291 CA GLU C 19 52.307 -3.582 -5.794 1.00 0.00 C ATOM 292 C GLU C 19 53.674 -3.217 -5.224 1.00 0.00 C ATOM 293 O GLU C 19 54.295 -2.243 -5.649 1.00 0.00 O ATOM 294 CB GLU C 19 51.226 -3.311 -4.746 1.00 0.00 C ATOM 295 CG GLU C 19 49.853 -3.656 -5.326 1.00 0.00 C ATOM 296 CD GLU C 19 48.756 -3.242 -4.352 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.090 -2.865 -3.240 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.598 -3.309 -4.731 1.00 0.00 O ATOM 0 H GLU C 19 51.815 -5.605 -5.526 1.00 0.00 H new ATOM 0 HA GLU C 19 52.119 -2.970 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU C 19 51.414 -3.905 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.252 -2.264 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.714 -3.148 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.791 -4.726 -5.523 1.00 0.00 H new ATOM 305 N PHE C 20 54.137 -4.006 -4.260 1.00 0.00 N ATOM 306 CA PHE C 20 55.433 -3.756 -3.639 1.00 0.00 C ATOM 307 C PHE C 20 56.533 -3.713 -4.694 1.00 0.00 C ATOM 308 O PHE C 20 57.353 -2.795 -4.712 1.00 0.00 O ATOM 309 CB PHE C 20 55.743 -4.854 -2.619 1.00 0.00 C ATOM 310 CG PHE C 20 54.547 -5.061 -1.722 1.00 0.00 C ATOM 311 CD1 PHE C 20 53.690 -3.991 -1.439 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.294 -6.324 -1.173 1.00 0.00 C ATOM 313 CE1 PHE C 20 52.581 -4.183 -0.607 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.184 -6.516 -0.341 1.00 0.00 C ATOM 315 CZ PHE C 20 52.328 -5.446 -0.058 1.00 0.00 C ATOM 0 H PHE C 20 53.639 -4.818 -3.894 1.00 0.00 H new ATOM 0 HA PHE C 20 55.393 -2.791 -3.133 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.990 -5.783 -3.133 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.613 -4.577 -2.024 1.00 0.00 H new ATOM 0 HD1 PHE C 20 53.885 -3.017 -1.863 1.00 0.00 H new ATOM 0 HD2 PHE C 20 54.955 -7.150 -1.391 1.00 0.00 H new ATOM 0 HE1 PHE C 20 51.920 -3.357 -0.388 1.00 0.00 H new ATOM 0 HE2 PHE C 20 52.989 -7.490 0.082 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.472 -5.594 0.584 1.00 0.00 H new ATOM 325 N LYS C 21 56.546 -4.712 -5.570 1.00 0.00 N ATOM 326 CA LYS C 21 57.551 -4.778 -6.625 1.00 0.00 C ATOM 327 C LYS C 21 57.672 -3.433 -7.335 1.00 0.00 C ATOM 328 O LYS C 21 58.744 -3.070 -7.820 1.00 0.00 O ATOM 329 CB LYS C 21 57.175 -5.860 -7.638 1.00 0.00 C ATOM 330 CG LYS C 21 58.344 -6.090 -8.598 1.00 0.00 C ATOM 331 CD LYS C 21 57.966 -7.168 -9.615 1.00 0.00 C ATOM 332 CE LYS C 21 59.179 -7.495 -10.489 1.00 0.00 C ATOM 333 NZ LYS C 21 58.776 -8.448 -11.561 1.00 0.00 N ATOM 0 H LYS C 21 55.877 -5.482 -5.571 1.00 0.00 H new ATOM 0 HA LYS C 21 58.511 -5.024 -6.171 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.928 -6.787 -7.121 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.287 -5.559 -8.195 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.594 -5.162 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS C 21 59.230 -6.395 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS C 21 57.624 -8.065 -9.099 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.140 -6.823 -10.236 1.00 0.00 H new ATOM 0 HE2 LYS C 21 59.579 -6.582 -10.931 1.00 0.00 H new ATOM 0 HE3 LYS C 21 59.972 -7.929 -9.881 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 59.600 -8.671 -12.155 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 58.414 -9.322 -11.130 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 58.033 -8.017 -12.147 1.00 0.00 H new ATOM 347 N ALA C 22 56.566 -2.699 -7.394 1.00 0.00 N ATOM 348 CA ALA C 22 56.560 -1.396 -8.048 1.00 0.00 C ATOM 349 C ALA C 22 57.577 -0.464 -7.397 1.00 0.00 C ATOM 350 O ALA C 22 58.574 -0.089 -8.014 1.00 0.00 O ATOM 351 CB ALA C 22 55.165 -0.773 -7.960 1.00 0.00 C ATOM 0 H ALA C 22 55.669 -2.981 -7.000 1.00 0.00 H new ATOM 0 HA ALA C 22 56.830 -1.536 -9.095 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.169 0.200 -8.451 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.444 -1.425 -8.453 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.887 -0.650 -6.913 1.00 0.00 H new ATOM 357 N ALA C 23 57.317 -0.094 -6.147 1.00 0.00 N ATOM 358 CA ALA C 23 58.218 0.795 -5.422 1.00 0.00 C ATOM 359 C ALA C 23 59.637 0.236 -5.419 1.00 0.00 C ATOM 360 O ALA C 23 60.588 0.928 -5.780 1.00 0.00 O ATOM 361 CB ALA C 23 57.732 0.968 -3.982 1.00 0.00 C ATOM 0 H ALA C 23 56.497 -0.393 -5.619 1.00 0.00 H new ATOM 0 HA ALA C 23 58.224 1.763 -5.923 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.410 1.633 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.730 1.397 -3.985 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.710 -0.003 -3.486 1.00 0.00 H new ATOM 367 N PHE C 24 59.771 -1.022 -5.009 1.00 0.00 N ATOM 368 CA PHE C 24 61.079 -1.664 -4.964 1.00 0.00 C ATOM 369 C PHE C 24 61.911 -1.275 -6.181 1.00 0.00 C ATOM 370 O PHE C 24 63.113 -1.034 -6.073 1.00 0.00 O ATOM 371 CB PHE C 24 60.913 -3.184 -4.921 1.00 0.00 C ATOM 372 CG PHE C 24 62.273 -3.838 -4.853 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.924 -3.972 -3.621 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.882 -4.310 -6.022 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.184 -4.577 -3.557 1.00 0.00 C ATOM 376 CE2 PHE C 24 64.142 -4.916 -5.958 1.00 0.00 C ATOM 377 CZ PHE C 24 64.794 -5.050 -4.726 1.00 0.00 C ATOM 0 H PHE C 24 58.996 -1.612 -4.706 1.00 0.00 H new ATOM 0 HA PHE C 24 61.596 -1.329 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.316 -3.471 -4.055 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.377 -3.527 -5.806 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.453 -3.608 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.380 -4.207 -6.973 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.686 -4.679 -2.606 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.612 -5.281 -6.860 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.766 -5.518 -4.677 1.00 0.00 H new ATOM 387 N ASP C 25 61.263 -1.216 -7.340 1.00 0.00 N ATOM 388 CA ASP C 25 61.954 -0.855 -8.573 1.00 0.00 C ATOM 389 C ASP C 25 62.371 0.612 -8.544 1.00 0.00 C ATOM 390 O ASP C 25 63.554 0.933 -8.659 1.00 0.00 O ATOM 391 CB ASP C 25 61.041 -1.105 -9.775 1.00 0.00 C ATOM 392 CG ASP C 25 60.743 -2.595 -9.903 1.00 0.00 C ATOM 393 OD1 ASP C 25 61.437 -3.374 -9.270 1.00 0.00 O ATOM 394 OD2 ASP C 25 59.826 -2.935 -10.632 1.00 0.00 O ATOM 0 H ASP C 25 60.268 -1.412 -7.451 1.00 0.00 H new ATOM 0 HA ASP C 25 62.848 -1.473 -8.661 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.111 -0.549 -9.658 1.00 0.00 H new ATOM 0 HB3 ASP C 25 61.517 -0.741 -10.686 1.00 0.00 H new ATOM 399 N ILE C 26 61.392 1.497 -8.390 1.00 0.00 N ATOM 400 CA ILE C 26 61.670 2.928 -8.347 1.00 0.00 C ATOM 401 C ILE C 26 62.586 3.262 -7.174 1.00 0.00 C ATOM 402 O ILE C 26 63.303 4.262 -7.199 1.00 0.00 O ATOM 403 CB ILE C 26 60.363 3.710 -8.214 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.455 3.390 -9.404 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.664 5.210 -8.194 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.050 3.932 -9.135 1.00 0.00 C ATOM 0 H ILE C 26 60.407 1.252 -8.294 1.00 0.00 H new ATOM 0 HA ILE C 26 62.169 3.209 -9.274 1.00 0.00 H new ATOM 0 HB ILE C 26 59.864 3.427 -7.287 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.860 3.834 -10.313 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.416 2.313 -9.566 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.732 5.767 -8.099 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.312 5.440 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.163 5.493 -9.121 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.404 3.704 -9.983 1.00 0.00 H new ATOM 0 HD12 ILE C 26 57.647 3.467 -8.236 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.097 5.012 -8.995 1.00 0.00 H new ATOM 418 N PHE C 27 62.557 2.418 -6.148 1.00 0.00 N ATOM 419 CA PHE C 27 63.390 2.633 -4.970 1.00 0.00 C ATOM 420 C PHE C 27 64.856 2.362 -5.293 1.00 0.00 C ATOM 421 O PHE C 27 65.753 2.950 -4.689 1.00 0.00 O ATOM 422 CB PHE C 27 62.936 1.713 -3.835 1.00 0.00 C ATOM 423 CG PHE C 27 61.969 2.453 -2.943 1.00 0.00 C ATOM 424 CD1 PHE C 27 60.926 3.198 -3.507 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.114 2.395 -1.552 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.029 3.884 -2.680 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.217 3.081 -0.725 1.00 0.00 C ATOM 428 CZ PHE C 27 60.174 3.826 -1.289 1.00 0.00 C ATOM 0 H PHE C 27 61.970 1.585 -6.108 1.00 0.00 H new ATOM 0 HA PHE C 27 63.285 3.672 -4.659 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.461 0.821 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.798 1.379 -3.257 1.00 0.00 H new ATOM 0 HD1 PHE C 27 60.814 3.243 -4.580 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.918 1.821 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.225 4.458 -3.115 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.329 3.036 0.348 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.482 4.356 -0.651 1.00 0.00 H new ATOM 438 N VAL C 28 65.091 1.469 -6.249 1.00 0.00 N ATOM 439 CA VAL C 28 66.452 1.128 -6.644 1.00 0.00 C ATOM 440 C VAL C 28 66.727 1.586 -8.073 1.00 0.00 C ATOM 441 O VAL C 28 67.465 0.935 -8.812 1.00 0.00 O ATOM 442 CB VAL C 28 66.663 -0.383 -6.541 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.526 -1.014 -7.928 1.00 0.00 C ATOM 444 CG2 VAL C 28 68.062 -0.666 -5.990 1.00 0.00 C ATOM 0 H VAL C 28 64.362 0.972 -6.761 1.00 0.00 H new ATOM 0 HA VAL C 28 67.143 1.638 -5.972 1.00 0.00 H new ATOM 0 HB VAL C 28 65.915 -0.809 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.676 -2.091 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL C 28 65.530 -0.813 -8.322 1.00 0.00 H new ATOM 0 HG13 VAL C 28 67.274 -0.588 -8.597 1.00 0.00 H new ATOM 0 HG21 VAL C 28 68.213 -1.743 -5.916 1.00 0.00 H new ATOM 0 HG22 VAL C 28 68.810 -0.240 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL C 28 68.161 -0.217 -5.002 1.00 0.00 H new ATOM 454 N LEU C 29 66.128 2.709 -8.454 1.00 0.00 N ATOM 455 CA LEU C 29 66.315 3.245 -9.797 1.00 0.00 C ATOM 456 C LEU C 29 67.702 3.865 -9.938 1.00 0.00 C ATOM 457 O LEU C 29 67.885 5.060 -9.705 1.00 0.00 O ATOM 458 CB LEU C 29 65.249 4.302 -10.091 1.00 0.00 C ATOM 459 CG LEU C 29 65.269 4.647 -11.581 1.00 0.00 C ATOM 460 CD1 LEU C 29 64.365 3.675 -12.342 1.00 0.00 C ATOM 461 CD2 LEU C 29 64.760 6.076 -11.779 1.00 0.00 C ATOM 0 H LEU C 29 65.513 3.262 -7.857 1.00 0.00 H new ATOM 0 HA LEU C 29 66.221 2.427 -10.511 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.265 3.930 -9.806 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.436 5.197 -9.497 1.00 0.00 H new ATOM 0 HG LEU C 29 66.288 4.567 -11.959 1.00 0.00 H new ATOM 0 HD11 LEU C 29 64.379 3.921 -13.404 1.00 0.00 H new ATOM 0 HD12 LEU C 29 64.725 2.656 -12.200 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.346 3.755 -11.965 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.774 6.323 -12.840 1.00 0.00 H new ATOM 0 HD22 LEU C 29 63.741 6.155 -11.401 1.00 0.00 H new ATOM 0 HD23 LEU C 29 65.403 6.770 -11.237 1.00 0.00 H new ATOM 473 N GLY C 30 68.675 3.046 -10.322 1.00 0.00 N ATOM 474 CA GLY C 30 70.042 3.525 -10.491 1.00 0.00 C ATOM 475 C GLY C 30 70.997 2.789 -9.558 1.00 0.00 C ATOM 476 O GLY C 30 72.178 3.126 -9.471 1.00 0.00 O ATOM 0 H GLY C 30 68.544 2.054 -10.521 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.356 3.383 -11.525 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.084 4.595 -10.290 1.00 0.00 H new ATOM 480 N ALA C 31 70.478 1.782 -8.862 1.00 0.00 N ATOM 481 CA ALA C 31 71.295 1.005 -7.937 1.00 0.00 C ATOM 482 C ALA C 31 72.347 0.202 -8.696 1.00 0.00 C ATOM 483 O ALA C 31 72.336 0.153 -9.926 1.00 0.00 O ATOM 484 CB ALA C 31 70.409 0.054 -7.130 1.00 0.00 C ATOM 0 H ALA C 31 69.503 1.487 -8.920 1.00 0.00 H new ATOM 0 HA ALA C 31 71.799 1.694 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.027 -0.523 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.677 0.631 -6.565 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.891 -0.624 -7.808 1.00 0.00 H new ATOM 490 N GLU C 32 73.253 -0.426 -7.955 1.00 0.00 N ATOM 491 CA GLU C 32 74.308 -1.224 -8.569 1.00 0.00 C ATOM 492 C GLU C 32 73.931 -2.702 -8.567 1.00 0.00 C ATOM 493 O GLU C 32 74.067 -3.389 -9.580 1.00 0.00 O ATOM 494 CB GLU C 32 75.621 -1.029 -7.809 1.00 0.00 C ATOM 495 CG GLU C 32 76.069 0.429 -7.928 1.00 0.00 C ATOM 496 CD GLU C 32 77.447 0.604 -7.300 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.921 -0.338 -6.686 1.00 0.00 O ATOM 498 OE2 GLU C 32 78.009 1.678 -7.441 1.00 0.00 O ATOM 0 H GLU C 32 73.279 -0.399 -6.936 1.00 0.00 H new ATOM 0 HA GLU C 32 74.434 -0.894 -9.600 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.489 -1.295 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.388 -1.690 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU C 32 76.098 0.725 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU C 32 75.349 1.081 -7.433 1.00 0.00 H new ATOM 505 N ASP C 33 73.458 -3.185 -7.423 1.00 0.00 N ATOM 506 CA ASP C 33 73.064 -4.584 -7.301 1.00 0.00 C ATOM 507 C ASP C 33 71.545 -4.712 -7.266 1.00 0.00 C ATOM 508 O ASP C 33 70.969 -5.574 -7.931 1.00 0.00 O ATOM 509 CB ASP C 33 73.658 -5.184 -6.025 1.00 0.00 C ATOM 510 CG ASP C 33 73.375 -6.681 -5.972 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.134 -7.429 -6.566 1.00 0.00 O ATOM 512 OD2 ASP C 33 72.403 -7.059 -5.338 1.00 0.00 O ATOM 0 H ASP C 33 73.339 -2.634 -6.573 1.00 0.00 H new ATOM 0 HA ASP C 33 73.443 -5.126 -8.168 1.00 0.00 H new ATOM 0 HB2 ASP C 33 74.733 -5.008 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.231 -4.694 -5.150 1.00 0.00 H new ATOM 517 N GLY C 34 70.901 -3.850 -6.486 1.00 0.00 N ATOM 518 CA GLY C 34 69.447 -3.876 -6.373 1.00 0.00 C ATOM 519 C GLY C 34 69.008 -3.618 -4.936 1.00 0.00 C ATOM 520 O GLY C 34 68.178 -4.344 -4.390 1.00 0.00 O ATOM 0 H GLY C 34 71.358 -3.130 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.014 -3.122 -7.031 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.070 -4.843 -6.705 1.00 0.00 H new ATOM 524 N CYS C 35 69.572 -2.579 -4.327 1.00 0.00 N ATOM 525 CA CYS C 35 69.230 -2.234 -2.952 1.00 0.00 C ATOM 526 C CYS C 35 68.907 -0.748 -2.836 1.00 0.00 C ATOM 527 O CYS C 35 68.774 -0.052 -3.843 1.00 0.00 O ATOM 528 CB CYS C 35 70.396 -2.579 -2.023 1.00 0.00 C ATOM 529 SG CYS C 35 71.131 -4.152 -2.535 1.00 0.00 S ATOM 0 H CYS C 35 70.263 -1.966 -4.760 1.00 0.00 H new ATOM 0 HA CYS C 35 68.350 -2.808 -2.661 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.146 -1.788 -2.054 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.046 -2.647 -0.993 1.00 0.00 H new ATOM 0 HG CYS C 35 70.449 -5.135 -2.027 1.00 0.00 H new ATOM 535 N ILE C 36 68.783 -0.269 -1.603 1.00 0.00 N ATOM 536 CA ILE C 36 68.475 1.137 -1.368 1.00 0.00 C ATOM 537 C ILE C 36 69.506 1.762 -0.433 1.00 0.00 C ATOM 538 O ILE C 36 70.147 1.066 0.354 1.00 0.00 O ATOM 539 CB ILE C 36 67.081 1.271 -0.755 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.026 0.948 -1.816 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.877 2.702 -0.255 1.00 0.00 C ATOM 542 CD1 ILE C 36 65.125 -0.182 -1.314 1.00 0.00 C ATOM 0 H ILE C 36 68.890 -0.828 -0.757 1.00 0.00 H new ATOM 0 HA ILE C 36 68.503 1.660 -2.324 1.00 0.00 H new ATOM 0 HB ILE C 36 66.984 0.578 0.080 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.429 1.834 -2.032 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.510 0.655 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.883 2.797 0.182 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.629 2.934 0.500 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.974 3.396 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.374 -0.412 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.728 -1.069 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.630 0.129 -0.394 1.00 0.00 H new ATOM 554 N SER C 37 69.660 3.079 -0.526 1.00 0.00 N ATOM 555 CA SER C 37 70.616 3.788 0.317 1.00 0.00 C ATOM 556 C SER C 37 70.268 5.271 0.391 1.00 0.00 C ATOM 557 O SER C 37 71.154 6.126 0.398 1.00 0.00 O ATOM 558 CB SER C 37 72.029 3.620 -0.241 1.00 0.00 C ATOM 559 OG SER C 37 72.911 4.503 0.439 1.00 0.00 O ATOM 0 H SER C 37 69.139 3.673 -1.171 1.00 0.00 H new ATOM 0 HA SER C 37 70.570 3.366 1.321 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.361 2.589 -0.117 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.038 3.831 -1.310 1.00 0.00 H new ATOM 0 HG SER C 37 72.682 5.430 0.217 1.00 0.00 H new ATOM 565 N THR C 38 68.974 5.569 0.445 1.00 0.00 N ATOM 566 CA THR C 38 68.521 6.953 0.518 1.00 0.00 C ATOM 567 C THR C 38 68.707 7.649 -0.826 1.00 0.00 C ATOM 568 O THR C 38 67.757 8.190 -1.393 1.00 0.00 O ATOM 569 CB THR C 38 69.307 7.704 1.596 1.00 0.00 C ATOM 570 OG1 THR C 38 70.498 8.231 1.030 1.00 0.00 O ATOM 571 CG2 THR C 38 69.660 6.745 2.734 1.00 0.00 C ATOM 0 H THR C 38 68.225 4.876 0.440 1.00 0.00 H new ATOM 0 HA THR C 38 67.461 6.956 0.773 1.00 0.00 H new ATOM 0 HB THR C 38 68.699 8.520 1.988 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.162 7.516 0.941 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.220 7.281 3.501 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.745 6.342 3.168 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.268 5.928 2.346 1.00 0.00 H new ATOM 579 N LYS C 39 69.936 7.631 -1.332 1.00 0.00 N ATOM 580 CA LYS C 39 70.234 8.264 -2.611 1.00 0.00 C ATOM 581 C LYS C 39 69.132 7.971 -3.624 1.00 0.00 C ATOM 582 O LYS C 39 68.746 8.841 -4.405 1.00 0.00 O ATOM 583 CB LYS C 39 71.573 7.753 -3.148 1.00 0.00 C ATOM 584 CG LYS C 39 71.958 8.544 -4.399 1.00 0.00 C ATOM 585 CD LYS C 39 72.712 9.811 -3.990 1.00 0.00 C ATOM 586 CE LYS C 39 73.279 10.492 -5.237 1.00 0.00 C ATOM 587 NZ LYS C 39 72.158 10.973 -6.094 1.00 0.00 N ATOM 0 H LYS C 39 70.736 7.188 -0.880 1.00 0.00 H new ATOM 0 HA LYS C 39 70.292 9.341 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS C 39 72.346 7.858 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.501 6.691 -3.384 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.581 7.932 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS C 39 71.065 8.807 -4.965 1.00 0.00 H new ATOM 0 HD2 LYS C 39 72.043 10.491 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.519 9.561 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS C 39 73.916 11.329 -4.950 1.00 0.00 H new ATOM 0 HE3 LYS C 39 73.903 9.793 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 72.533 11.593 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 71.680 10.159 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 71.479 11.503 -5.512 1.00 0.00 H new ATOM 601 N GLU C 40 68.631 6.740 -3.606 1.00 0.00 N ATOM 602 CA GLU C 40 67.573 6.343 -4.528 1.00 0.00 C ATOM 603 C GLU C 40 66.203 6.535 -3.886 1.00 0.00 C ATOM 604 O GLU C 40 65.260 6.988 -4.536 1.00 0.00 O ATOM 605 CB GLU C 40 67.751 4.877 -4.927 1.00 0.00 C ATOM 606 CG GLU C 40 69.164 4.664 -5.474 1.00 0.00 C ATOM 607 CD GLU C 40 69.351 5.462 -6.760 1.00 0.00 C ATOM 608 OE1 GLU C 40 68.353 5.794 -7.378 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.489 5.729 -7.108 1.00 0.00 O ATOM 0 H GLU C 40 68.938 6.005 -2.968 1.00 0.00 H new ATOM 0 HA GLU C 40 67.636 6.971 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.582 4.232 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.013 4.602 -5.680 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.900 4.975 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.333 3.604 -5.666 1.00 0.00 H new ATOM 616 N LEU C 41 66.100 6.187 -2.608 1.00 0.00 N ATOM 617 CA LEU C 41 64.839 6.326 -1.888 1.00 0.00 C ATOM 618 C LEU C 41 64.353 7.771 -1.931 1.00 0.00 C ATOM 619 O LEU C 41 63.277 8.059 -2.454 1.00 0.00 O ATOM 620 CB LEU C 41 65.018 5.889 -0.432 1.00 0.00 C ATOM 621 CG LEU C 41 63.900 4.918 -0.050 1.00 0.00 C ATOM 622 CD1 LEU C 41 64.121 4.423 1.381 1.00 0.00 C ATOM 623 CD2 LEU C 41 62.551 5.636 -0.137 1.00 0.00 C ATOM 0 H LEU C 41 66.868 5.809 -2.053 1.00 0.00 H new ATOM 0 HA LEU C 41 64.096 5.691 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.989 5.412 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU C 41 64.999 6.759 0.225 1.00 0.00 H new ATOM 0 HG LEU C 41 63.906 4.069 -0.734 1.00 0.00 H new ATOM 0 HD11 LEU C 41 63.324 3.731 1.654 1.00 0.00 H new ATOM 0 HD12 LEU C 41 65.082 3.913 1.445 1.00 0.00 H new ATOM 0 HD13 LEU C 41 64.114 5.272 2.065 1.00 0.00 H new ATOM 0 HD21 LEU C 41 61.753 4.945 0.135 1.00 0.00 H new ATOM 0 HD22 LEU C 41 62.546 6.484 0.547 1.00 0.00 H new ATOM 0 HD23 LEU C 41 62.393 5.991 -1.155 1.00 0.00 H new ATOM 635 N GLY C 42 65.154 8.676 -1.378 1.00 0.00 N ATOM 636 CA GLY C 42 64.795 10.089 -1.359 1.00 0.00 C ATOM 637 C GLY C 42 64.255 10.533 -2.714 1.00 0.00 C ATOM 638 O GLY C 42 63.290 11.292 -2.790 1.00 0.00 O ATOM 0 H GLY C 42 66.049 8.458 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.045 10.267 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.668 10.686 -1.098 1.00 0.00 H new ATOM 642 N LYS C 43 64.885 10.053 -3.782 1.00 0.00 N ATOM 643 CA LYS C 43 64.458 10.408 -5.131 1.00 0.00 C ATOM 644 C LYS C 43 62.941 10.318 -5.254 1.00 0.00 C ATOM 645 O LYS C 43 62.311 11.151 -5.906 1.00 0.00 O ATOM 646 CB LYS C 43 65.111 9.470 -6.148 1.00 0.00 C ATOM 647 CG LYS C 43 64.901 10.022 -7.560 1.00 0.00 C ATOM 648 CD LYS C 43 65.493 9.050 -8.582 1.00 0.00 C ATOM 649 CE LYS C 43 65.316 9.619 -9.991 1.00 0.00 C ATOM 650 NZ LYS C 43 63.942 9.312 -10.481 1.00 0.00 N ATOM 0 H LYS C 43 65.686 9.423 -3.741 1.00 0.00 H new ATOM 0 HA LYS C 43 64.767 11.434 -5.332 1.00 0.00 H new ATOM 0 HB2 LYS C 43 66.176 9.374 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.679 8.472 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS C 43 63.837 10.164 -7.752 1.00 0.00 H new ATOM 0 HG3 LYS C 43 65.375 10.999 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS C 43 66.551 8.887 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS C 43 65.000 8.081 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS C 43 65.478 10.697 -9.983 1.00 0.00 H new ATOM 0 HE3 LYS C 43 66.058 9.190 -10.664 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 63.821 9.698 -11.439 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 63.804 8.281 -10.503 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 63.242 9.742 -9.843 1.00 0.00 H new ATOM 664 N VAL C 44 62.360 9.302 -4.624 1.00 0.00 N ATOM 665 CA VAL C 44 60.915 9.113 -4.671 1.00 0.00 C ATOM 666 C VAL C 44 60.214 10.109 -3.754 1.00 0.00 C ATOM 667 O VAL C 44 59.115 10.576 -4.053 1.00 0.00 O ATOM 668 CB VAL C 44 60.560 7.687 -4.244 1.00 0.00 C ATOM 669 CG1 VAL C 44 61.684 6.736 -4.658 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.386 7.640 -2.725 1.00 0.00 C ATOM 0 H VAL C 44 62.863 8.602 -4.079 1.00 0.00 H new ATOM 0 HA VAL C 44 60.579 9.280 -5.695 1.00 0.00 H new ATOM 0 HB VAL C 44 59.631 7.383 -4.727 1.00 0.00 H new ATOM 0 HG11 VAL C 44 61.432 5.720 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL C 44 61.810 6.770 -5.740 1.00 0.00 H new ATOM 0 HG13 VAL C 44 62.613 7.039 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.133 6.625 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL C 44 61.315 7.943 -2.243 1.00 0.00 H new ATOM 0 HG23 VAL C 44 59.586 8.318 -2.429 1.00 0.00 H new ATOM 680 N MET C 45 60.857 10.431 -2.636 1.00 0.00 N ATOM 681 CA MET C 45 60.285 11.374 -1.681 1.00 0.00 C ATOM 682 C MET C 45 59.826 12.643 -2.392 1.00 0.00 C ATOM 683 O MET C 45 58.646 12.994 -2.357 1.00 0.00 O ATOM 684 CB MET C 45 61.321 11.730 -0.614 1.00 0.00 C ATOM 685 CG MET C 45 61.365 10.626 0.444 1.00 0.00 C ATOM 686 SD MET C 45 61.745 9.044 -0.351 1.00 0.00 S ATOM 687 CE MET C 45 60.356 8.108 0.334 1.00 0.00 C ATOM 0 H MET C 45 61.768 10.056 -2.370 1.00 0.00 H new ATOM 0 HA MET C 45 59.423 10.905 -1.207 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.303 11.849 -1.071 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.068 12.683 -0.150 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.119 10.858 1.196 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.408 10.565 0.961 1.00 0.00 H new ATOM 0 HE1 MET C 45 60.320 7.121 -0.126 1.00 0.00 H new ATOM 0 HE2 MET C 45 60.485 8.002 1.411 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.425 8.637 0.130 1.00 0.00 H new ATOM 697 N ARG C 46 60.765 13.329 -3.035 1.00 0.00 N ATOM 698 CA ARG C 46 60.446 14.559 -3.750 1.00 0.00 C ATOM 699 C ARG C 46 59.119 14.419 -4.490 1.00 0.00 C ATOM 700 O ARG C 46 58.346 15.373 -4.584 1.00 0.00 O ATOM 701 CB ARG C 46 61.557 14.886 -4.748 1.00 0.00 C ATOM 702 CG ARG C 46 61.403 14.008 -5.991 1.00 0.00 C ATOM 703 CD ARG C 46 62.709 14.015 -6.787 1.00 0.00 C ATOM 704 NE ARG C 46 62.428 14.013 -8.218 1.00 0.00 N ATOM 705 CZ ARG C 46 61.823 12.982 -8.798 1.00 0.00 C ATOM 706 NH1 ARG C 46 61.469 11.948 -8.085 1.00 0.00 N ATOM 707 NH2 ARG C 46 61.582 13.003 -10.080 1.00 0.00 N ATOM 0 H ARG C 46 61.747 13.056 -3.076 1.00 0.00 H new ATOM 0 HA ARG C 46 60.361 15.368 -3.024 1.00 0.00 H new ATOM 0 HB2 ARG C 46 61.512 15.939 -5.026 1.00 0.00 H new ATOM 0 HB3 ARG C 46 62.532 14.719 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG C 46 61.148 12.989 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG C 46 60.585 14.377 -6.610 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.297 14.895 -6.526 1.00 0.00 H new ATOM 0 HD3 ARG C 46 63.307 13.142 -6.525 1.00 0.00 H new ATOM 0 HE ARG C 46 62.701 14.817 -8.783 1.00 0.00 H new ATOM 0 HH11 ARG C 46 61.657 11.931 -7.083 1.00 0.00 H new ATOM 0 HH12 ARG C 46 61.005 11.156 -8.530 1.00 0.00 H new ATOM 0 HH21 ARG C 46 61.858 13.811 -10.638 1.00 0.00 H new ATOM 0 HH22 ARG C 46 61.118 12.211 -10.525 1.00 0.00 H new ATOM 721 N MET C 47 58.862 13.225 -5.014 1.00 0.00 N ATOM 722 CA MET C 47 57.625 12.972 -5.744 1.00 0.00 C ATOM 723 C MET C 47 56.495 12.628 -4.780 1.00 0.00 C ATOM 724 O MET C 47 55.327 12.908 -5.052 1.00 0.00 O ATOM 725 CB MET C 47 57.827 11.820 -6.729 1.00 0.00 C ATOM 726 CG MET C 47 57.077 12.121 -8.028 1.00 0.00 C ATOM 727 SD MET C 47 56.961 10.612 -9.021 1.00 0.00 S ATOM 728 CE MET C 47 55.496 9.921 -8.215 1.00 0.00 C ATOM 0 H MET C 47 59.489 12.423 -4.948 1.00 0.00 H new ATOM 0 HA MET C 47 57.357 13.875 -6.292 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.889 11.684 -6.933 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.464 10.888 -6.295 1.00 0.00 H new ATOM 0 HG2 MET C 47 56.080 12.500 -7.805 1.00 0.00 H new ATOM 0 HG3 MET C 47 57.596 12.899 -8.588 1.00 0.00 H new ATOM 0 HE1 MET C 47 55.611 8.842 -8.115 1.00 0.00 H new ATOM 0 HE2 MET C 47 55.380 10.366 -7.227 1.00 0.00 H new ATOM 0 HE3 MET C 47 54.613 10.138 -8.816 1.00 0.00 H new ATOM 738 N LEU C 48 56.849 12.019 -3.653 1.00 0.00 N ATOM 739 CA LEU C 48 55.855 11.640 -2.655 1.00 0.00 C ATOM 740 C LEU C 48 55.268 12.879 -1.986 1.00 0.00 C ATOM 741 O LEU C 48 54.279 12.794 -1.258 1.00 0.00 O ATOM 742 CB LEU C 48 56.494 10.741 -1.596 1.00 0.00 C ATOM 743 CG LEU C 48 55.500 9.656 -1.180 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.187 8.668 -0.235 1.00 0.00 C ATOM 745 CD2 LEU C 48 54.312 10.302 -0.464 1.00 0.00 C ATOM 0 H LEU C 48 57.810 11.779 -3.409 1.00 0.00 H new ATOM 0 HA LEU C 48 55.054 11.097 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.402 10.285 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU C 48 56.786 11.333 -0.729 1.00 0.00 H new ATOM 0 HG LEU C 48 55.149 9.127 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU C 48 55.478 7.895 0.061 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.034 8.208 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.539 9.197 0.651 1.00 0.00 H new ATOM 0 HD21 LEU C 48 53.603 9.530 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.665 10.831 0.421 1.00 0.00 H new ATOM 0 HD23 LEU C 48 53.821 11.006 -1.136 1.00 0.00 H new ATOM 757 N GLY C 49 55.884 14.030 -2.238 1.00 0.00 N ATOM 758 CA GLY C 49 55.414 15.280 -1.654 1.00 0.00 C ATOM 759 C GLY C 49 56.283 15.690 -0.470 1.00 0.00 C ATOM 760 O GLY C 49 55.886 16.522 0.346 1.00 0.00 O ATOM 0 H GLY C 49 56.704 14.122 -2.838 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.427 16.066 -2.409 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.380 15.168 -1.329 1.00 0.00 H new ATOM 764 N GLN C 50 57.471 15.100 -0.383 1.00 0.00 N ATOM 765 CA GLN C 50 58.389 15.412 0.706 1.00 0.00 C ATOM 766 C GLN C 50 59.831 15.405 0.209 1.00 0.00 C ATOM 767 O GLN C 50 60.082 15.415 -0.996 1.00 0.00 O ATOM 768 CB GLN C 50 58.231 14.388 1.832 1.00 0.00 C ATOM 769 CG GLN C 50 58.442 15.077 3.182 1.00 0.00 C ATOM 770 CD GLN C 50 57.135 15.702 3.658 1.00 0.00 C ATOM 771 OE1 GLN C 50 57.119 16.851 4.098 1.00 0.00 O ATOM 772 NE2 GLN C 50 56.031 15.009 3.597 1.00 0.00 N ATOM 0 H GLN C 50 57.818 14.409 -1.048 1.00 0.00 H new ATOM 0 HA GLN C 50 58.151 16.406 1.083 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.239 13.938 1.792 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.952 13.580 1.707 1.00 0.00 H new ATOM 0 HG2 GLN C 50 58.798 14.355 3.917 1.00 0.00 H new ATOM 0 HG3 GLN C 50 59.210 15.845 3.092 1.00 0.00 H new ATOM 0 HE21 GLN C 50 56.046 14.057 3.232 1.00 0.00 H new ATOM 0 HE22 GLN C 50 55.153 15.420 3.914 1.00 0.00 H new ATOM 781 N ASN C 51 60.775 15.388 1.145 1.00 0.00 N ATOM 782 CA ASN C 51 62.189 15.380 0.789 1.00 0.00 C ATOM 783 C ASN C 51 63.056 15.280 2.040 1.00 0.00 C ATOM 784 O ASN C 51 63.551 16.286 2.548 1.00 0.00 O ATOM 785 CB ASN C 51 62.542 16.656 0.022 1.00 0.00 C ATOM 786 CG ASN C 51 62.530 16.382 -1.478 1.00 0.00 C ATOM 787 OD1 ASN C 51 63.189 15.454 -1.946 1.00 0.00 O ATOM 788 ND2 ASN C 51 61.815 17.140 -2.265 1.00 0.00 N ATOM 0 H ASN C 51 60.588 15.380 2.148 1.00 0.00 H new ATOM 0 HA ASN C 51 62.380 14.512 0.158 1.00 0.00 H new ATOM 0 HB2 ASN C 51 61.828 17.444 0.262 1.00 0.00 H new ATOM 0 HB3 ASN C 51 63.526 17.013 0.327 1.00 0.00 H new ATOM 0 HD21 ASN C 51 61.802 16.963 -3.270 1.00 0.00 H new ATOM 0 HD22 ASN C 51 61.269 17.909 -1.875 1.00 0.00 H new ATOM 795 N PRO C 52 63.245 14.088 2.536 1.00 0.00 N ATOM 796 CA PRO C 52 64.069 13.841 3.753 1.00 0.00 C ATOM 797 C PRO C 52 65.564 13.984 3.474 1.00 0.00 C ATOM 798 O PRO C 52 66.003 13.882 2.329 1.00 0.00 O ATOM 799 CB PRO C 52 63.721 12.403 4.140 1.00 0.00 C ATOM 800 CG PRO C 52 63.282 11.745 2.872 1.00 0.00 C ATOM 801 CD PRO C 52 62.689 12.842 1.986 1.00 0.00 C ATOM 0 HA PRO C 52 63.859 14.562 4.543 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.583 11.892 4.569 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.930 12.378 4.889 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.124 11.261 2.376 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.543 10.970 3.075 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.971 12.707 0.942 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.600 12.840 2.025 1.00 0.00 H new ATOM 809 N THR C 53 66.337 14.219 4.529 1.00 0.00 N ATOM 810 CA THR C 53 67.780 14.374 4.385 1.00 0.00 C ATOM 811 C THR C 53 68.464 13.011 4.346 1.00 0.00 C ATOM 812 O THR C 53 67.871 11.996 4.711 1.00 0.00 O ATOM 813 CB THR C 53 68.337 15.193 5.552 1.00 0.00 C ATOM 814 OG1 THR C 53 69.305 14.423 6.249 1.00 0.00 O ATOM 815 CG2 THR C 53 67.199 15.569 6.502 1.00 0.00 C ATOM 0 H THR C 53 65.993 14.306 5.485 1.00 0.00 H new ATOM 0 HA THR C 53 67.979 14.895 3.448 1.00 0.00 H new ATOM 0 HB THR C 53 68.803 16.101 5.170 1.00 0.00 H new ATOM 0 HG1 THR C 53 69.664 14.947 6.996 1.00 0.00 H new ATOM 0 HG21 THR C 53 67.596 16.152 7.333 1.00 0.00 H new ATOM 0 HG22 THR C 53 66.457 16.161 5.965 1.00 0.00 H new ATOM 0 HG23 THR C 53 66.731 14.663 6.886 1.00 0.00 H new ATOM 823 N PRO C 54 69.694 12.978 3.912 1.00 0.00 N ATOM 824 CA PRO C 54 70.485 11.717 3.820 1.00 0.00 C ATOM 825 C PRO C 54 70.903 11.199 5.194 1.00 0.00 C ATOM 826 O PRO C 54 71.288 10.039 5.340 1.00 0.00 O ATOM 827 CB PRO C 54 71.707 12.113 2.990 1.00 0.00 C ATOM 828 CG PRO C 54 71.864 13.585 3.189 1.00 0.00 C ATOM 829 CD PRO C 54 70.467 14.145 3.460 1.00 0.00 C ATOM 0 HA PRO C 54 69.909 10.905 3.375 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.596 11.575 3.319 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.561 11.873 1.937 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.533 13.793 4.024 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.302 14.050 2.306 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.491 14.926 4.220 1.00 0.00 H new ATOM 0 HD3 PRO C 54 70.034 14.587 2.563 1.00 0.00 H new ATOM 837 N GLU C 55 70.825 12.068 6.196 1.00 0.00 N ATOM 838 CA GLU C 55 71.198 11.688 7.554 1.00 0.00 C ATOM 839 C GLU C 55 70.021 11.031 8.269 1.00 0.00 C ATOM 840 O GLU C 55 70.207 10.167 9.126 1.00 0.00 O ATOM 841 CB GLU C 55 71.649 12.922 8.337 1.00 0.00 C ATOM 842 CG GLU C 55 72.906 13.506 7.690 1.00 0.00 C ATOM 843 CD GLU C 55 74.083 12.556 7.887 1.00 0.00 C ATOM 844 OE1 GLU C 55 73.966 11.662 8.709 1.00 0.00 O ATOM 845 OE2 GLU C 55 75.084 12.737 7.213 1.00 0.00 O ATOM 0 H GLU C 55 70.510 13.033 6.095 1.00 0.00 H new ATOM 0 HA GLU C 55 72.019 10.974 7.498 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.854 13.668 8.350 1.00 0.00 H new ATOM 0 HB3 GLU C 55 71.852 12.654 9.374 1.00 0.00 H new ATOM 0 HG2 GLU C 55 72.735 13.670 6.626 1.00 0.00 H new ATOM 0 HG3 GLU C 55 73.134 14.477 8.130 1.00 0.00 H new ATOM 852 N GLU C 56 68.811 11.447 7.910 1.00 0.00 N ATOM 853 CA GLU C 56 67.610 10.892 8.524 1.00 0.00 C ATOM 854 C GLU C 56 67.068 9.736 7.690 1.00 0.00 C ATOM 855 O GLU C 56 66.573 8.746 8.231 1.00 0.00 O ATOM 856 CB GLU C 56 66.540 11.977 8.653 1.00 0.00 C ATOM 857 CG GLU C 56 65.656 11.974 7.404 1.00 0.00 C ATOM 858 CD GLU C 56 64.738 13.191 7.412 1.00 0.00 C ATOM 859 OE1 GLU C 56 64.933 14.050 8.256 1.00 0.00 O ATOM 860 OE2 GLU C 56 63.853 13.246 6.574 1.00 0.00 O ATOM 0 H GLU C 56 68.636 12.161 7.203 1.00 0.00 H new ATOM 0 HA GLU C 56 67.870 10.520 9.515 1.00 0.00 H new ATOM 0 HB2 GLU C 56 65.933 11.800 9.541 1.00 0.00 H new ATOM 0 HB3 GLU C 56 67.010 12.953 8.777 1.00 0.00 H new ATOM 0 HG2 GLU C 56 66.277 11.983 6.509 1.00 0.00 H new ATOM 0 HG3 GLU C 56 65.062 11.061 7.371 1.00 0.00 H new ATOM 867 N LEU C 57 67.164 9.868 6.371 1.00 0.00 N ATOM 868 CA LEU C 57 66.679 8.827 5.472 1.00 0.00 C ATOM 869 C LEU C 57 67.029 7.445 6.014 1.00 0.00 C ATOM 870 O LEU C 57 66.205 6.531 5.988 1.00 0.00 O ATOM 871 CB LEU C 57 67.299 9.006 4.085 1.00 0.00 C ATOM 872 CG LEU C 57 66.385 8.377 3.032 1.00 0.00 C ATOM 873 CD1 LEU C 57 66.226 6.883 3.320 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.013 9.053 3.081 1.00 0.00 C ATOM 0 H LEU C 57 67.570 10.679 5.904 1.00 0.00 H new ATOM 0 HA LEU C 57 65.595 8.911 5.399 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.441 10.066 3.872 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.284 8.540 4.052 1.00 0.00 H new ATOM 0 HG LEU C 57 66.824 8.512 2.043 1.00 0.00 H new ATOM 0 HD11 LEU C 57 65.575 6.435 2.570 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.203 6.400 3.287 1.00 0.00 H new ATOM 0 HD13 LEU C 57 65.787 6.748 4.309 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.360 8.606 2.331 1.00 0.00 H new ATOM 0 HD22 LEU C 57 64.576 8.917 4.070 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.125 10.118 2.877 1.00 0.00 H new ATOM 886 N GLN C 58 68.255 7.300 6.504 1.00 0.00 N ATOM 887 CA GLN C 58 68.703 6.024 7.050 1.00 0.00 C ATOM 888 C GLN C 58 67.597 5.377 7.877 1.00 0.00 C ATOM 889 O GLN C 58 67.438 4.157 7.873 1.00 0.00 O ATOM 890 CB GLN C 58 69.940 6.235 7.925 1.00 0.00 C ATOM 891 CG GLN C 58 71.086 6.777 7.068 1.00 0.00 C ATOM 892 CD GLN C 58 72.286 7.103 7.950 1.00 0.00 C ATOM 893 OE1 GLN C 58 72.145 7.246 9.165 1.00 0.00 O ATOM 894 NE2 GLN C 58 73.467 7.232 7.408 1.00 0.00 N ATOM 0 H GLN C 58 68.952 8.044 6.535 1.00 0.00 H new ATOM 0 HA GLN C 58 68.954 5.364 6.220 1.00 0.00 H new ATOM 0 HB2 GLN C 58 69.713 6.933 8.731 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.234 5.294 8.391 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.367 6.041 6.314 1.00 0.00 H new ATOM 0 HG3 GLN C 58 70.762 7.671 6.535 1.00 0.00 H new ATOM 0 HE21 GLN C 58 73.582 7.113 6.401 1.00 0.00 H new ATOM 0 HE22 GLN C 58 74.275 7.452 7.991 1.00 0.00 H new ATOM 903 N GLU C 59 66.835 6.204 8.586 1.00 0.00 N ATOM 904 CA GLU C 59 65.745 5.702 9.415 1.00 0.00 C ATOM 905 C GLU C 59 64.844 4.772 8.610 1.00 0.00 C ATOM 906 O GLU C 59 64.408 3.732 9.105 1.00 0.00 O ATOM 907 CB GLU C 59 64.921 6.871 9.959 1.00 0.00 C ATOM 908 CG GLU C 59 63.873 6.344 10.940 1.00 0.00 C ATOM 909 CD GLU C 59 62.952 7.478 11.378 1.00 0.00 C ATOM 910 OE1 GLU C 59 63.128 8.580 10.886 1.00 0.00 O ATOM 911 OE2 GLU C 59 62.085 7.227 12.199 1.00 0.00 O ATOM 0 H GLU C 59 66.951 7.217 8.603 1.00 0.00 H new ATOM 0 HA GLU C 59 66.174 5.143 10.247 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.573 7.588 10.458 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.434 7.399 9.139 1.00 0.00 H new ATOM 0 HG2 GLU C 59 63.290 5.551 10.471 1.00 0.00 H new ATOM 0 HG3 GLU C 59 64.364 5.907 11.809 1.00 0.00 H new ATOM 918 N MET C 60 64.568 5.153 7.367 1.00 0.00 N ATOM 919 CA MET C 60 63.716 4.345 6.502 1.00 0.00 C ATOM 920 C MET C 60 64.391 3.017 6.174 1.00 0.00 C ATOM 921 O MET C 60 63.736 2.064 5.754 1.00 0.00 O ATOM 922 CB MET C 60 63.419 5.102 5.206 1.00 0.00 C ATOM 923 CG MET C 60 63.033 6.546 5.535 1.00 0.00 C ATOM 924 SD MET C 60 61.673 6.549 6.728 1.00 0.00 S ATOM 925 CE MET C 60 60.477 5.649 5.712 1.00 0.00 C ATOM 0 H MET C 60 64.919 6.010 6.939 1.00 0.00 H new ATOM 0 HA MET C 60 62.782 4.145 7.028 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.293 5.087 4.555 1.00 0.00 H new ATOM 0 HB3 MET C 60 62.610 4.613 4.664 1.00 0.00 H new ATOM 0 HG2 MET C 60 63.891 7.079 5.944 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.736 7.070 4.627 1.00 0.00 H new ATOM 0 HE1 MET C 60 59.466 5.904 6.029 1.00 0.00 H new ATOM 0 HE2 MET C 60 60.609 5.923 4.665 1.00 0.00 H new ATOM 0 HE3 MET C 60 60.634 4.577 5.829 1.00 0.00 H new ATOM 935 N ILE C 61 65.704 2.963 6.370 1.00 0.00 N ATOM 936 CA ILE C 61 66.458 1.746 6.092 1.00 0.00 C ATOM 937 C ILE C 61 66.791 1.014 7.388 1.00 0.00 C ATOM 938 O ILE C 61 66.832 -0.216 7.425 1.00 0.00 O ATOM 939 CB ILE C 61 67.752 2.090 5.352 1.00 0.00 C ATOM 940 CG1 ILE C 61 68.912 2.133 6.349 1.00 0.00 C ATOM 941 CG2 ILE C 61 67.608 3.456 4.679 1.00 0.00 C ATOM 942 CD1 ILE C 61 69.373 0.708 6.658 1.00 0.00 C ATOM 0 H ILE C 61 66.265 3.741 6.717 1.00 0.00 H new ATOM 0 HA ILE C 61 65.844 1.096 5.468 1.00 0.00 H new ATOM 0 HB ILE C 61 67.950 1.332 4.595 1.00 0.00 H new ATOM 0 HG12 ILE C 61 69.738 2.712 5.937 1.00 0.00 H new ATOM 0 HG13 ILE C 61 68.599 2.632 7.266 1.00 0.00 H new ATOM 0 HG21 ILE C 61 68.530 3.701 4.152 1.00 0.00 H new ATOM 0 HG22 ILE C 61 66.781 3.427 3.969 1.00 0.00 H new ATOM 0 HG23 ILE C 61 67.410 4.215 5.436 1.00 0.00 H new ATOM 0 HD11 ILE C 61 70.199 0.739 7.368 1.00 0.00 H new ATOM 0 HD12 ILE C 61 68.546 0.143 7.088 1.00 0.00 H new ATOM 0 HD13 ILE C 61 69.703 0.225 5.738 1.00 0.00 H new ATOM 954 N ASP C 62 67.028 1.778 8.449 1.00 0.00 N ATOM 955 CA ASP C 62 67.357 1.191 9.743 1.00 0.00 C ATOM 956 C ASP C 62 66.126 0.537 10.364 1.00 0.00 C ATOM 957 O ASP C 62 66.241 -0.381 11.175 1.00 0.00 O ATOM 958 CB ASP C 62 67.893 2.270 10.685 1.00 0.00 C ATOM 959 CG ASP C 62 69.268 2.735 10.217 1.00 0.00 C ATOM 960 OD1 ASP C 62 69.928 1.971 9.532 1.00 0.00 O ATOM 961 OD2 ASP C 62 69.640 3.848 10.550 1.00 0.00 O ATOM 0 H ASP C 62 66.999 2.798 8.439 1.00 0.00 H new ATOM 0 HA ASP C 62 68.122 0.429 9.591 1.00 0.00 H new ATOM 0 HB2 ASP C 62 67.205 3.115 10.713 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.959 1.878 11.700 1.00 0.00 H new ATOM 966 N GLU C 63 64.949 1.018 9.976 1.00 0.00 N ATOM 967 CA GLU C 63 63.702 0.472 10.502 1.00 0.00 C ATOM 968 C GLU C 63 63.568 -1.003 10.138 1.00 0.00 C ATOM 969 O GLU C 63 62.869 -1.758 10.815 1.00 0.00 O ATOM 970 CB GLU C 63 62.512 1.250 9.935 1.00 0.00 C ATOM 971 CG GLU C 63 62.365 0.942 8.444 1.00 0.00 C ATOM 972 CD GLU C 63 61.458 1.977 7.786 1.00 0.00 C ATOM 973 OE1 GLU C 63 60.846 2.745 8.509 1.00 0.00 O ATOM 974 OE2 GLU C 63 61.390 1.987 6.568 1.00 0.00 O ATOM 0 H GLU C 63 64.832 1.778 9.305 1.00 0.00 H new ATOM 0 HA GLU C 63 63.714 0.567 11.588 1.00 0.00 H new ATOM 0 HB2 GLU C 63 61.600 0.977 10.465 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.659 2.320 10.083 1.00 0.00 H new ATOM 0 HG2 GLU C 63 63.344 0.947 7.965 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.949 -0.057 8.309 1.00 0.00 H new ATOM 981 N VAL C 64 64.242 -1.407 9.067 1.00 0.00 N ATOM 982 CA VAL C 64 64.191 -2.795 8.623 1.00 0.00 C ATOM 983 C VAL C 64 65.530 -3.217 8.027 1.00 0.00 C ATOM 984 O VAL C 64 65.598 -3.669 6.884 1.00 0.00 O ATOM 985 CB VAL C 64 63.088 -2.968 7.577 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.725 -2.723 8.227 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.300 -1.962 6.443 1.00 0.00 C ATOM 0 H VAL C 64 64.826 -0.798 8.494 1.00 0.00 H new ATOM 0 HA VAL C 64 63.976 -3.425 9.486 1.00 0.00 H new ATOM 0 HB VAL C 64 63.122 -3.981 7.177 1.00 0.00 H new ATOM 0 HG11 VAL C 64 60.939 -2.846 7.482 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.574 -3.438 9.036 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.690 -1.710 8.627 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.515 -2.084 5.697 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.265 -0.949 6.844 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.271 -2.136 5.979 1.00 0.00 H new ATOM 997 N ASP C 65 66.594 -3.064 8.810 1.00 0.00 N ATOM 998 CA ASP C 65 67.928 -3.432 8.349 1.00 0.00 C ATOM 999 C ASP C 65 68.472 -4.601 9.163 1.00 0.00 C ATOM 1000 O ASP C 65 69.576 -4.533 9.704 1.00 0.00 O ATOM 1001 CB ASP C 65 68.872 -2.235 8.476 1.00 0.00 C ATOM 1002 CG ASP C 65 70.254 -2.603 7.946 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.345 -3.570 7.207 1.00 0.00 O ATOM 1004 OD2 ASP C 65 71.200 -1.913 8.287 1.00 0.00 O ATOM 0 H ASP C 65 66.559 -2.691 9.759 1.00 0.00 H new ATOM 0 HA ASP C 65 67.862 -3.733 7.303 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.474 -1.387 7.919 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.944 -1.927 9.519 1.00 0.00 H new ATOM 1009 N GLU C 66 67.691 -5.673 9.246 1.00 0.00 N ATOM 1010 CA GLU C 66 68.106 -6.853 9.997 1.00 0.00 C ATOM 1011 C GLU C 66 69.300 -7.523 9.324 1.00 0.00 C ATOM 1012 O GLU C 66 69.611 -8.681 9.601 1.00 0.00 O ATOM 1013 CB GLU C 66 66.947 -7.846 10.091 1.00 0.00 C ATOM 1014 CG GLU C 66 65.756 -7.178 10.781 1.00 0.00 C ATOM 1015 CD GLU C 66 66.100 -6.872 12.235 1.00 0.00 C ATOM 1016 OE1 GLU C 66 67.024 -7.484 12.746 1.00 0.00 O ATOM 1017 OE2 GLU C 66 65.435 -6.031 12.816 1.00 0.00 O ATOM 0 H GLU C 66 66.774 -5.750 8.806 1.00 0.00 H new ATOM 0 HA GLU C 66 68.397 -6.539 10.999 1.00 0.00 H new ATOM 0 HB2 GLU C 66 66.661 -8.183 9.095 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.256 -8.729 10.650 1.00 0.00 H new ATOM 0 HG2 GLU C 66 65.492 -6.258 10.260 1.00 0.00 H new ATOM 0 HG3 GLU C 66 64.885 -7.831 10.735 1.00 0.00 H new ATOM 1024 N ASP C 67 69.964 -6.787 8.439 1.00 0.00 N ATOM 1025 CA ASP C 67 71.122 -7.320 7.732 1.00 0.00 C ATOM 1026 C ASP C 67 72.360 -6.474 8.016 1.00 0.00 C ATOM 1027 O ASP C 67 73.384 -6.612 7.347 1.00 0.00 O ATOM 1028 CB ASP C 67 70.851 -7.342 6.227 1.00 0.00 C ATOM 1029 CG ASP C 67 70.155 -8.643 5.841 1.00 0.00 C ATOM 1030 OD1 ASP C 67 70.269 -9.598 6.592 1.00 0.00 O ATOM 1031 OD2 ASP C 67 69.519 -8.665 4.800 1.00 0.00 O ATOM 0 H ASP C 67 69.722 -5.826 8.196 1.00 0.00 H new ATOM 0 HA ASP C 67 71.302 -8.336 8.083 1.00 0.00 H new ATOM 0 HB2 ASP C 67 70.229 -6.491 5.949 1.00 0.00 H new ATOM 0 HB3 ASP C 67 71.788 -7.245 5.679 1.00 0.00 H new ATOM 1036 N GLY C 68 72.257 -5.600 9.011 1.00 0.00 N ATOM 1037 CA GLY C 68 73.375 -4.736 9.374 1.00 0.00 C ATOM 1038 C GLY C 68 74.187 -4.350 8.142 1.00 0.00 C ATOM 1039 O GLY C 68 75.153 -3.594 8.236 1.00 0.00 O ATOM 0 H GLY C 68 71.418 -5.471 9.577 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.001 -3.837 9.864 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.017 -5.247 10.092 1.00 0.00 H new ATOM 1043 N SER C 69 73.788 -4.875 6.988 1.00 0.00 N ATOM 1044 CA SER C 69 74.486 -4.579 5.743 1.00 0.00 C ATOM 1045 C SER C 69 74.483 -3.078 5.471 1.00 0.00 C ATOM 1046 O SER C 69 75.514 -2.496 5.136 1.00 0.00 O ATOM 1047 CB SER C 69 73.814 -5.311 4.581 1.00 0.00 C ATOM 1048 OG SER C 69 72.600 -4.649 4.249 1.00 0.00 O ATOM 0 H SER C 69 72.991 -5.503 6.889 1.00 0.00 H new ATOM 0 HA SER C 69 75.518 -4.918 5.837 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.478 -5.333 3.717 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.614 -6.347 4.855 1.00 0.00 H new ATOM 0 HG SER C 69 72.167 -5.114 3.503 1.00 0.00 H new ATOM 1054 N GLY C 70 73.317 -2.457 5.618 1.00 0.00 N ATOM 1055 CA GLY C 70 73.191 -1.023 5.386 1.00 0.00 C ATOM 1056 C GLY C 70 72.072 -0.728 4.393 1.00 0.00 C ATOM 1057 O GLY C 70 71.157 0.043 4.686 1.00 0.00 O ATOM 0 H GLY C 70 72.452 -2.921 5.895 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.989 -0.515 6.329 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.133 -0.628 5.006 1.00 0.00 H new ATOM 1061 N THR C 71 72.151 -1.345 3.219 1.00 0.00 N ATOM 1062 CA THR C 71 71.138 -1.140 2.190 1.00 0.00 C ATOM 1063 C THR C 71 69.940 -2.053 2.426 1.00 0.00 C ATOM 1064 O THR C 71 70.035 -3.041 3.155 1.00 0.00 O ATOM 1065 CB THR C 71 71.733 -1.423 0.808 1.00 0.00 C ATOM 1066 OG1 THR C 71 70.796 -1.051 -0.193 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.053 -2.913 0.684 1.00 0.00 C ATOM 0 H THR C 71 72.900 -1.986 2.957 1.00 0.00 H new ATOM 0 HA THR C 71 70.804 -0.103 2.237 1.00 0.00 H new ATOM 0 HB THR C 71 72.649 -0.847 0.680 1.00 0.00 H new ATOM 0 HG1 THR C 71 70.841 -0.083 -0.339 1.00 0.00 H new ATOM 0 HG21 THR C 71 72.476 -3.114 -0.300 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.772 -3.196 1.453 1.00 0.00 H new ATOM 0 HG23 THR C 71 71.139 -3.493 0.811 1.00 0.00 H new ATOM 1075 N VAL C 72 68.814 -1.717 1.806 1.00 0.00 N ATOM 1076 CA VAL C 72 67.603 -2.515 1.956 1.00 0.00 C ATOM 1077 C VAL C 72 67.403 -3.419 0.744 1.00 0.00 C ATOM 1078 O VAL C 72 67.966 -3.174 -0.324 1.00 0.00 O ATOM 1079 CB VAL C 72 66.390 -1.597 2.116 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.197 -2.410 2.622 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.717 -0.492 3.122 1.00 0.00 C ATOM 0 H VAL C 72 68.715 -0.903 1.199 1.00 0.00 H new ATOM 0 HA VAL C 72 67.708 -3.137 2.845 1.00 0.00 H new ATOM 0 HB VAL C 72 66.143 -1.151 1.153 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.333 -1.756 2.736 1.00 0.00 H new ATOM 0 HG12 VAL C 72 64.964 -3.198 1.906 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.443 -2.857 3.585 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.853 0.163 3.237 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.964 -0.938 4.085 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.567 0.088 2.762 1.00 0.00 H new ATOM 1091 N ASP C 73 66.599 -4.463 0.916 1.00 0.00 N ATOM 1092 CA ASP C 73 66.333 -5.396 -0.172 1.00 0.00 C ATOM 1093 C ASP C 73 64.884 -5.872 -0.128 1.00 0.00 C ATOM 1094 O ASP C 73 64.131 -5.515 0.778 1.00 0.00 O ATOM 1095 CB ASP C 73 67.271 -6.601 -0.068 1.00 0.00 C ATOM 1096 CG ASP C 73 68.703 -6.174 -0.372 1.00 0.00 C ATOM 1097 OD1 ASP C 73 68.874 -5.114 -0.951 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.607 -6.914 -0.022 1.00 0.00 O ATOM 0 H ASP C 73 66.124 -4.683 1.791 1.00 0.00 H new ATOM 0 HA ASP C 73 66.506 -4.881 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.215 -7.031 0.932 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.958 -7.377 -0.766 1.00 0.00 H new ATOM 1103 N PHE C 74 64.502 -6.679 -1.112 1.00 0.00 N ATOM 1104 CA PHE C 74 63.140 -7.197 -1.176 1.00 0.00 C ATOM 1105 C PHE C 74 62.749 -7.842 0.150 1.00 0.00 C ATOM 1106 O PHE C 74 61.566 -7.972 0.463 1.00 0.00 O ATOM 1107 CB PHE C 74 63.026 -8.228 -2.300 1.00 0.00 C ATOM 1108 CG PHE C 74 63.898 -9.419 -1.981 1.00 0.00 C ATOM 1109 CD1 PHE C 74 65.258 -9.400 -2.315 1.00 0.00 C ATOM 1110 CD2 PHE C 74 63.348 -10.542 -1.352 1.00 0.00 C ATOM 1111 CE1 PHE C 74 66.067 -10.504 -2.020 1.00 0.00 C ATOM 1112 CE2 PHE C 74 64.156 -11.646 -1.057 1.00 0.00 C ATOM 1113 CZ PHE C 74 65.516 -11.627 -1.391 1.00 0.00 C ATOM 0 H PHE C 74 65.111 -6.987 -1.871 1.00 0.00 H new ATOM 0 HA PHE C 74 62.464 -6.366 -1.376 1.00 0.00 H new ATOM 0 HB2 PHE C 74 61.989 -8.543 -2.415 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.331 -7.784 -3.248 1.00 0.00 H new ATOM 0 HD1 PHE C 74 65.683 -8.534 -2.800 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.299 -10.557 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE C 74 67.116 -10.489 -2.278 1.00 0.00 H new ATOM 0 HE2 PHE C 74 63.731 -12.512 -0.572 1.00 0.00 H new ATOM 0 HZ PHE C 74 66.140 -12.479 -1.163 1.00 0.00 H new ATOM 1123 N ASP C 75 63.751 -8.243 0.925 1.00 0.00 N ATOM 1124 CA ASP C 75 63.500 -8.873 2.216 1.00 0.00 C ATOM 1125 C ASP C 75 63.155 -7.823 3.267 1.00 0.00 C ATOM 1126 O ASP C 75 62.160 -7.949 3.981 1.00 0.00 O ATOM 1127 CB ASP C 75 64.734 -9.659 2.663 1.00 0.00 C ATOM 1128 CG ASP C 75 65.985 -9.076 2.014 1.00 0.00 C ATOM 1129 OD1 ASP C 75 66.087 -9.147 0.800 1.00 0.00 O ATOM 1130 OD2 ASP C 75 66.824 -8.568 2.740 1.00 0.00 O ATOM 0 H ASP C 75 64.737 -8.144 0.684 1.00 0.00 H new ATOM 0 HA ASP C 75 62.656 -9.554 2.108 1.00 0.00 H new ATOM 0 HB2 ASP C 75 64.826 -9.622 3.748 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.627 -10.708 2.388 1.00 0.00 H new ATOM 1135 N GLU C 76 63.983 -6.788 3.357 1.00 0.00 N ATOM 1136 CA GLU C 76 63.756 -5.722 4.325 1.00 0.00 C ATOM 1137 C GLU C 76 62.690 -4.755 3.818 1.00 0.00 C ATOM 1138 O GLU C 76 61.827 -4.314 4.577 1.00 0.00 O ATOM 1139 CB GLU C 76 65.058 -4.960 4.579 1.00 0.00 C ATOM 1140 CG GLU C 76 66.083 -5.900 5.217 1.00 0.00 C ATOM 1141 CD GLU C 76 67.431 -5.197 5.337 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.606 -4.179 4.689 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.269 -5.688 6.076 1.00 0.00 O ATOM 0 H GLU C 76 64.812 -6.665 2.776 1.00 0.00 H new ATOM 0 HA GLU C 76 63.410 -6.171 5.256 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.448 -4.562 3.642 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.872 -4.109 5.234 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.738 -6.213 6.202 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.186 -6.802 4.614 1.00 0.00 H new ATOM 1150 N PHE C 77 62.757 -4.431 2.531 1.00 0.00 N ATOM 1151 CA PHE C 77 61.792 -3.515 1.933 1.00 0.00 C ATOM 1152 C PHE C 77 60.367 -3.998 2.184 1.00 0.00 C ATOM 1153 O PHE C 77 59.553 -3.284 2.769 1.00 0.00 O ATOM 1154 CB PHE C 77 62.038 -3.407 0.427 1.00 0.00 C ATOM 1155 CG PHE C 77 60.976 -2.533 -0.196 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.978 -1.153 0.039 1.00 0.00 C ATOM 1157 CD2 PHE C 77 59.988 -3.104 -1.008 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.993 -0.343 -0.539 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.003 -2.294 -1.585 1.00 0.00 C ATOM 1160 CZ PHE C 77 59.006 -0.914 -1.351 1.00 0.00 C ATOM 0 H PHE C 77 63.463 -4.786 1.886 1.00 0.00 H new ATOM 0 HA PHE C 77 61.917 -2.535 2.393 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.026 -2.987 0.238 1.00 0.00 H new ATOM 0 HB3 PHE C 77 62.021 -4.398 -0.027 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.739 -0.713 0.666 1.00 0.00 H new ATOM 0 HD2 PHE C 77 59.986 -4.169 -1.189 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.995 0.722 -0.358 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.241 -2.734 -2.211 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.246 -0.289 -1.797 1.00 0.00 H new ATOM 1170 N LEU C 78 60.073 -5.216 1.739 1.00 0.00 N ATOM 1171 CA LEU C 78 58.743 -5.784 1.921 1.00 0.00 C ATOM 1172 C LEU C 78 58.209 -5.464 3.313 1.00 0.00 C ATOM 1173 O LEU C 78 57.179 -4.806 3.457 1.00 0.00 O ATOM 1174 CB LEU C 78 58.792 -7.301 1.728 1.00 0.00 C ATOM 1175 CG LEU C 78 58.866 -7.624 0.235 1.00 0.00 C ATOM 1176 CD1 LEU C 78 59.140 -9.117 0.047 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.535 -7.264 -0.429 1.00 0.00 C ATOM 0 H LEU C 78 60.733 -5.824 1.254 1.00 0.00 H new ATOM 0 HA LEU C 78 58.077 -5.344 1.179 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.658 -7.716 2.244 1.00 0.00 H new ATOM 0 HB3 LEU C 78 57.908 -7.763 2.167 1.00 0.00 H new ATOM 0 HG LEU C 78 59.670 -7.047 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU C 78 59.193 -9.346 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.087 -9.376 0.521 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.336 -9.695 0.503 1.00 0.00 H new ATOM 0 HD21 LEU C 78 57.586 -7.493 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.732 -7.842 0.029 1.00 0.00 H new ATOM 0 HD23 LEU C 78 57.338 -6.200 -0.296 1.00 0.00 H new ATOM 1189 N VAL C 79 58.916 -5.934 4.336 1.00 0.00 N ATOM 1190 CA VAL C 79 58.503 -5.692 5.713 1.00 0.00 C ATOM 1191 C VAL C 79 58.154 -4.221 5.918 1.00 0.00 C ATOM 1192 O VAL C 79 57.148 -3.893 6.546 1.00 0.00 O ATOM 1193 CB VAL C 79 59.626 -6.089 6.672 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.179 -5.841 8.114 1.00 0.00 C ATOM 1195 CG2 VAL C 79 59.951 -7.574 6.488 1.00 0.00 C ATOM 0 H VAL C 79 59.772 -6.481 4.238 1.00 0.00 H new ATOM 0 HA VAL C 79 57.619 -6.296 5.918 1.00 0.00 H new ATOM 0 HB VAL C 79 60.513 -5.492 6.459 1.00 0.00 H new ATOM 0 HG11 VAL C 79 59.980 -6.124 8.797 1.00 0.00 H new ATOM 0 HG12 VAL C 79 58.946 -4.784 8.246 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.292 -6.437 8.328 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.751 -7.859 7.171 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.063 -8.170 6.701 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.270 -7.752 5.461 1.00 0.00 H new ATOM 1205 N MET C 80 58.993 -3.339 5.384 1.00 0.00 N ATOM 1206 CA MET C 80 58.763 -1.905 5.514 1.00 0.00 C ATOM 1207 C MET C 80 57.337 -1.550 5.105 1.00 0.00 C ATOM 1208 O MET C 80 56.838 -0.473 5.431 1.00 0.00 O ATOM 1209 CB MET C 80 59.754 -1.135 4.638 1.00 0.00 C ATOM 1210 CG MET C 80 60.181 0.146 5.355 1.00 0.00 C ATOM 1211 SD MET C 80 58.712 1.084 5.842 1.00 0.00 S ATOM 1212 CE MET C 80 58.442 1.921 4.261 1.00 0.00 C ATOM 0 H MET C 80 59.832 -3.590 4.861 1.00 0.00 H new ATOM 0 HA MET C 80 58.909 -1.627 6.558 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.626 -1.754 4.427 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.296 -0.892 3.679 1.00 0.00 H new ATOM 0 HG2 MET C 80 60.777 -0.098 6.234 1.00 0.00 H new ATOM 0 HG3 MET C 80 60.810 0.749 4.700 1.00 0.00 H new ATOM 0 HE1 MET C 80 57.377 1.924 4.028 1.00 0.00 H new ATOM 0 HE2 MET C 80 58.802 2.948 4.327 1.00 0.00 H new ATOM 0 HE3 MET C 80 58.984 1.396 3.474 1.00 0.00 H new ATOM 1222 N MET C 81 56.688 -2.463 4.390 1.00 0.00 N ATOM 1223 CA MET C 81 55.319 -2.235 3.942 1.00 0.00 C ATOM 1224 C MET C 81 54.323 -2.791 4.955 1.00 0.00 C ATOM 1225 O MET C 81 53.356 -2.123 5.320 1.00 0.00 O ATOM 1226 CB MET C 81 55.095 -2.903 2.584 1.00 0.00 C ATOM 1227 CG MET C 81 55.860 -2.135 1.504 1.00 0.00 C ATOM 1228 SD MET C 81 55.142 -0.484 1.317 1.00 0.00 S ATOM 1229 CE MET C 81 56.686 0.451 1.451 1.00 0.00 C ATOM 0 H MET C 81 57.084 -3.360 4.110 1.00 0.00 H new ATOM 0 HA MET C 81 55.163 -1.160 3.848 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.433 -3.939 2.616 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.031 -2.922 2.347 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.913 -2.057 1.775 1.00 0.00 H new ATOM 0 HG3 MET C 81 55.813 -2.673 0.557 1.00 0.00 H new ATOM 0 HE1 MET C 81 56.463 1.489 1.699 1.00 0.00 H new ATOM 0 HE2 MET C 81 57.308 0.016 2.234 1.00 0.00 H new ATOM 0 HE3 MET C 81 57.219 0.412 0.501 1.00 0.00 H new ATOM 1239 N VAL C 82 54.567 -4.017 5.405 1.00 0.00 N ATOM 1240 CA VAL C 82 53.685 -4.654 6.376 1.00 0.00 C ATOM 1241 C VAL C 82 53.594 -3.816 7.647 1.00 0.00 C ATOM 1242 O VAL C 82 52.527 -3.698 8.250 1.00 0.00 O ATOM 1243 CB VAL C 82 54.207 -6.049 6.719 1.00 0.00 C ATOM 1244 CG1 VAL C 82 54.839 -6.679 5.476 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.259 -5.941 7.825 1.00 0.00 C ATOM 0 H VAL C 82 55.362 -4.586 5.115 1.00 0.00 H new ATOM 0 HA VAL C 82 52.691 -4.737 5.937 1.00 0.00 H new ATOM 0 HB VAL C 82 53.380 -6.672 7.061 1.00 0.00 H new ATOM 0 HG11 VAL C 82 55.211 -7.674 5.721 1.00 0.00 H new ATOM 0 HG12 VAL C 82 54.091 -6.756 4.687 1.00 0.00 H new ATOM 0 HG13 VAL C 82 55.666 -6.057 5.133 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.632 -6.935 8.071 1.00 0.00 H new ATOM 0 HG22 VAL C 82 56.085 -5.318 7.482 1.00 0.00 H new ATOM 0 HG23 VAL C 82 54.810 -5.493 8.711 1.00 0.00 H new ATOM 1255 N ARG C 83 54.720 -3.236 8.049 1.00 0.00 N ATOM 1256 CA ARG C 83 54.756 -2.411 9.251 1.00 0.00 C ATOM 1257 C ARG C 83 53.811 -1.222 9.114 1.00 0.00 C ATOM 1258 O ARG C 83 53.240 -0.753 10.099 1.00 0.00 O ATOM 1259 CB ARG C 83 56.180 -1.908 9.497 1.00 0.00 C ATOM 1260 CG ARG C 83 57.125 -3.101 9.648 1.00 0.00 C ATOM 1261 CD ARG C 83 56.855 -3.801 10.981 1.00 0.00 C ATOM 1262 NE ARG C 83 57.997 -4.626 11.358 1.00 0.00 N ATOM 1263 CZ ARG C 83 59.120 -4.078 11.813 1.00 0.00 C ATOM 1264 NH1 ARG C 83 59.213 -2.781 11.929 1.00 0.00 N ATOM 1265 NH2 ARG C 83 60.128 -4.837 12.145 1.00 0.00 N ATOM 0 H ARG C 83 55.613 -3.321 7.564 1.00 0.00 H new ATOM 0 HA ARG C 83 54.435 -3.020 10.096 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.503 -1.278 8.668 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.209 -1.292 10.396 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.981 -3.799 8.823 1.00 0.00 H new ATOM 0 HG3 ARG C 83 58.161 -2.765 9.605 1.00 0.00 H new ATOM 0 HD2 ARG C 83 56.661 -3.060 11.756 1.00 0.00 H new ATOM 0 HD3 ARG C 83 55.961 -4.420 10.901 1.00 0.00 H new ATOM 0 HE ARG C 83 57.933 -5.640 11.271 1.00 0.00 H new ATOM 0 HH11 ARG C 83 58.424 -2.188 11.671 1.00 0.00 H new ATOM 0 HH12 ARG C 83 60.074 -2.361 12.278 1.00 0.00 H new ATOM 0 HH21 ARG C 83 60.055 -5.850 12.055 1.00 0.00 H new ATOM 0 HH22 ARG C 83 60.989 -4.417 12.494 1.00 0.00 H new ATOM 1279 N CYS C 84 53.650 -0.738 7.887 1.00 0.00 N ATOM 1280 CA CYS C 84 52.771 0.398 7.633 1.00 0.00 C ATOM 1281 C CYS C 84 51.531 -0.046 6.864 1.00 0.00 C ATOM 1282 O CYS C 84 51.095 0.627 5.930 1.00 0.00 O ATOM 1283 CB CYS C 84 53.517 1.466 6.831 1.00 0.00 C ATOM 1284 SG CYS C 84 54.788 2.225 7.872 1.00 0.00 S ATOM 0 H CYS C 84 54.113 -1.111 7.058 1.00 0.00 H new ATOM 0 HA CYS C 84 52.460 0.815 8.591 1.00 0.00 H new ATOM 0 HB2 CYS C 84 53.974 1.020 5.948 1.00 0.00 H new ATOM 0 HB3 CYS C 84 52.819 2.225 6.479 1.00 0.00 H new ATOM 0 HG CYS C 84 55.424 3.131 7.190 1.00 0.00 H new ATOM 1290 N MET C 85 50.969 -1.182 7.262 1.00 0.00 N ATOM 1291 CA MET C 85 49.778 -1.706 6.603 1.00 0.00 C ATOM 1292 C MET C 85 48.639 -0.693 6.669 1.00 0.00 C ATOM 1293 O MET C 85 48.324 -0.033 5.679 1.00 0.00 O ATOM 1294 CB MET C 85 49.342 -3.011 7.271 1.00 0.00 C ATOM 1295 CG MET C 85 48.217 -3.651 6.457 1.00 0.00 C ATOM 1296 SD MET C 85 47.546 -5.067 7.363 1.00 0.00 S ATOM 1297 CE MET C 85 49.044 -6.082 7.339 1.00 0.00 C ATOM 0 H MET C 85 51.316 -1.754 8.032 1.00 0.00 H new ATOM 0 HA MET C 85 50.019 -1.897 5.557 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.188 -3.695 7.343 1.00 0.00 H new ATOM 0 HB3 MET C 85 49.003 -2.815 8.288 1.00 0.00 H new ATOM 0 HG2 MET C 85 47.430 -2.921 6.268 1.00 0.00 H new ATOM 0 HG3 MET C 85 48.594 -3.972 5.486 1.00 0.00 H new ATOM 0 HE1 MET C 85 48.772 -7.134 7.431 1.00 0.00 H new ATOM 0 HE2 MET C 85 49.575 -5.925 6.400 1.00 0.00 H new ATOM 0 HE3 MET C 85 49.688 -5.799 8.172 1.00 0.00 H new ATOM 1307 N LYS C 86 48.026 -0.576 7.842 1.00 0.00 N ATOM 1308 CA LYS C 86 46.923 0.360 8.026 1.00 0.00 C ATOM 1309 C LYS C 86 47.081 1.124 9.337 1.00 0.00 C ATOM 1310 O LYS C 86 47.571 0.582 10.327 1.00 0.00 O ATOM 1311 CB LYS C 86 45.593 -0.396 8.031 1.00 0.00 C ATOM 1312 CG LYS C 86 44.437 0.604 7.958 1.00 0.00 C ATOM 1313 CD LYS C 86 43.109 -0.154 7.890 1.00 0.00 C ATOM 1314 CE LYS C 86 42.894 -0.924 9.194 1.00 0.00 C ATOM 1315 NZ LYS C 86 43.481 -2.288 9.069 1.00 0.00 N ATOM 0 H LYS C 86 48.272 -1.113 8.674 1.00 0.00 H new ATOM 0 HA LYS C 86 46.934 1.072 7.201 1.00 0.00 H new ATOM 0 HB2 LYS C 86 45.549 -1.081 7.185 1.00 0.00 H new ATOM 0 HB3 LYS C 86 45.509 -1.000 8.935 1.00 0.00 H new ATOM 0 HG2 LYS C 86 44.451 1.257 8.831 1.00 0.00 H new ATOM 0 HG3 LYS C 86 44.549 1.242 7.081 1.00 0.00 H new ATOM 0 HD2 LYS C 86 42.288 0.544 7.728 1.00 0.00 H new ATOM 0 HD3 LYS C 86 43.114 -0.843 7.045 1.00 0.00 H new ATOM 0 HE2 LYS C 86 43.358 -0.391 10.024 1.00 0.00 H new ATOM 0 HE3 LYS C 86 41.829 -0.994 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 42.742 -3.001 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 43.871 -2.412 8.113 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 44.240 -2.405 9.770 1.00 0.00 H new ATOM 1329 N ASP C 87 46.663 2.386 9.335 1.00 0.00 N ATOM 1330 CA ASP C 87 46.764 3.215 10.530 1.00 0.00 C ATOM 1331 C ASP C 87 45.525 3.048 11.404 1.00 0.00 C ATOM 1332 O ASP C 87 44.409 3.352 10.981 1.00 0.00 O ATOM 1333 CB ASP C 87 46.917 4.685 10.134 1.00 0.00 C ATOM 1334 CG ASP C 87 47.252 5.523 11.363 1.00 0.00 C ATOM 1335 OD1 ASP C 87 48.420 5.591 11.709 1.00 0.00 O ATOM 1336 OD2 ASP C 87 46.336 6.085 11.940 1.00 0.00 O ATOM 0 H ASP C 87 46.254 2.854 8.526 1.00 0.00 H new ATOM 0 HA ASP C 87 47.640 2.898 11.096 1.00 0.00 H new ATOM 0 HB2 ASP C 87 47.704 4.789 9.387 1.00 0.00 H new ATOM 0 HB3 ASP C 87 45.995 5.045 9.678 1.00 0.00 H new ATOM 1341 N ASP C 88 45.729 2.564 12.625 1.00 0.00 N ATOM 1342 CA ASP C 88 44.620 2.361 13.550 1.00 0.00 C ATOM 1343 C ASP C 88 45.110 2.419 14.994 1.00 0.00 C ATOM 1344 O ASP C 88 44.613 1.696 15.857 1.00 0.00 O ATOM 1345 CB ASP C 88 43.962 1.005 13.287 1.00 0.00 C ATOM 1346 CG ASP C 88 42.706 0.861 14.140 1.00 0.00 C ATOM 1347 OD1 ASP C 88 42.313 1.842 14.751 1.00 0.00 O ATOM 1348 OD2 ASP C 88 42.156 -0.227 14.170 1.00 0.00 O ATOM 0 H ASP C 88 46.644 2.307 12.995 1.00 0.00 H new ATOM 0 HA ASP C 88 43.890 3.155 13.393 1.00 0.00 H new ATOM 0 HB2 ASP C 88 43.707 0.914 12.231 1.00 0.00 H new ATOM 0 HB3 ASP C 88 44.662 0.201 13.516 1.00 0.00 H new ATOM 1353 N SER C 89 46.087 3.284 15.247 1.00 0.00 N ATOM 1354 CA SER C 89 46.637 3.428 16.590 1.00 0.00 C ATOM 1355 C SER C 89 45.994 4.610 17.308 1.00 0.00 C ATOM 1356 O SER C 89 45.574 4.433 18.440 1.00 0.00 O ATOM 1357 CB SER C 89 48.150 3.635 16.515 1.00 0.00 C ATOM 1358 OG SER C 89 48.441 4.612 15.525 1.00 0.00 O ATOM 1359 OXT SER C 89 45.932 5.675 16.716 1.00 0.00 O ATOM 0 H SER C 89 46.511 3.891 14.546 1.00 0.00 H new ATOM 0 HA SER C 89 46.423 2.518 17.150 1.00 0.00 H new ATOM 0 HB2 SER C 89 48.533 3.956 17.483 1.00 0.00 H new ATOM 0 HB3 SER C 89 48.646 2.695 16.272 1.00 0.00 H new ATOM 0 HG SER C 89 47.787 5.339 15.581 1.00 0.00 H new ATOM 1430 N ASP I 119 50.287 3.553 2.459 1.00 0.00 N ATOM 1431 CA ASP I 119 49.067 3.943 1.763 1.00 0.00 C ATOM 1432 C ASP I 119 49.309 5.185 0.911 1.00 0.00 C ATOM 1433 O ASP I 119 48.883 5.251 -0.242 1.00 0.00 O ATOM 1434 CB ASP I 119 47.956 4.225 2.776 1.00 0.00 C ATOM 1435 CG ASP I 119 47.581 2.943 3.511 1.00 0.00 C ATOM 1436 OD1 ASP I 119 47.979 1.884 3.053 1.00 0.00 O ATOM 1437 OD2 ASP I 119 46.903 3.038 4.520 1.00 0.00 O ATOM 0 HA ASP I 119 48.765 3.123 1.111 1.00 0.00 H new ATOM 0 HB2 ASP I 119 48.287 4.979 3.490 1.00 0.00 H new ATOM 0 HB3 ASP I 119 47.082 4.630 2.266 1.00 0.00 H new ATOM 1442 N ALA I 120 49.996 6.166 1.487 1.00 0.00 N ATOM 1443 CA ALA I 120 50.290 7.402 0.770 1.00 0.00 C ATOM 1444 C ALA I 120 51.327 7.154 -0.321 1.00 0.00 C ATOM 1445 O ALA I 120 51.138 7.552 -1.471 1.00 0.00 O ATOM 1446 CB ALA I 120 50.814 8.458 1.744 1.00 0.00 C ATOM 0 H ALA I 120 50.357 6.131 2.440 1.00 0.00 H new ATOM 0 HA ALA I 120 49.370 7.760 0.307 1.00 0.00 H new ATOM 0 HB1 ALA I 120 51.031 9.378 1.201 1.00 0.00 H new ATOM 0 HB2 ALA I 120 50.060 8.656 2.506 1.00 0.00 H new ATOM 0 HB3 ALA I 120 51.725 8.094 2.220 1.00 0.00 H new ATOM 1452 N MET I 121 52.420 6.495 0.047 1.00 0.00 N ATOM 1453 CA MET I 121 53.481 6.200 -0.910 1.00 0.00 C ATOM 1454 C MET I 121 52.924 5.436 -2.107 1.00 0.00 C ATOM 1455 O MET I 121 53.475 5.498 -3.206 1.00 0.00 O ATOM 1456 CB MET I 121 54.575 5.370 -0.236 1.00 0.00 C ATOM 1457 CG MET I 121 55.742 5.179 -1.207 1.00 0.00 C ATOM 1458 SD MET I 121 56.835 3.876 -0.589 1.00 0.00 S ATOM 1459 CE MET I 121 55.892 2.468 -1.225 1.00 0.00 C ATOM 0 H MET I 121 52.595 6.157 0.993 1.00 0.00 H new ATOM 0 HA MET I 121 53.903 7.142 -1.259 1.00 0.00 H new ATOM 0 HB2 MET I 121 54.919 5.870 0.669 1.00 0.00 H new ATOM 0 HB3 MET I 121 54.177 4.401 0.066 1.00 0.00 H new ATOM 0 HG2 MET I 121 55.367 4.915 -2.196 1.00 0.00 H new ATOM 0 HG3 MET I 121 56.296 6.112 -1.315 1.00 0.00 H new ATOM 0 HE1 MET I 121 56.567 1.632 -1.411 1.00 0.00 H new ATOM 0 HE2 MET I 121 55.141 2.172 -0.492 1.00 0.00 H new ATOM 0 HE3 MET I 121 55.399 2.751 -2.155 1.00 0.00 H new ATOM 1469 N LEU I 122 51.829 4.716 -1.886 1.00 0.00 N ATOM 1470 CA LEU I 122 51.206 3.943 -2.954 1.00 0.00 C ATOM 1471 C LEU I 122 50.357 4.846 -3.843 1.00 0.00 C ATOM 1472 O LEU I 122 50.157 4.561 -5.023 1.00 0.00 O ATOM 1473 CB LEU I 122 50.330 2.840 -2.358 1.00 0.00 C ATOM 1474 CG LEU I 122 51.169 1.579 -2.147 1.00 0.00 C ATOM 1475 CD1 LEU I 122 52.598 1.973 -1.769 1.00 0.00 C ATOM 1476 CD2 LEU I 122 50.557 0.743 -1.021 1.00 0.00 C ATOM 0 H LEU I 122 51.358 4.652 -0.984 1.00 0.00 H new ATOM 0 HA LEU I 122 51.993 3.493 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU I 122 49.906 3.170 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU I 122 49.494 2.626 -3.023 1.00 0.00 H new ATOM 0 HG LEU I 122 51.185 0.995 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU I 122 53.196 1.074 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU I 122 53.035 2.569 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU I 122 52.583 2.557 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU I 122 51.154 -0.156 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU I 122 50.542 1.327 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU I 122 49.539 0.461 -1.289 1.00 0.00 H new