USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 849 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 ALA N :NH3+ 173:sc= -0.0631 (180deg=-0.219) USER MOD Single : A 2 GLN : amide:sc= -0.225 X(o=-0.23,f=0) USER MOD Single : A 5 ASN : amide:sc= -1.48! C(o=-1.5!,f=-4.1!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 99:sc= 0.0195 USER MOD Single : A 15 GLN : amide:sc= -0.635 K(o=-0.64,f=-3.3!) USER MOD Single : A 16 THR OG1 : rot 68:sc= 0.73 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.4 F(o=-3.3,f=-1.4) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.75! C(o=-3.8!,f=-9.9!) USER MOD Single : A 24 TYR OH : rot 22:sc= -0.159 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= -0.153 (180deg=-0.834) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.746 K(o=-0.75,f=-3.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -6.25! C(o=-6.2!,f=-5.9!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.476 USER MOD Single : A 58 ASN :FLIP amide:sc= -3.26! C(o=-3.9!,f=-3.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.126 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.965 F(o=-2.6!,f=-0.96) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.913! USER MOD Single : A 84 ASN :FLIP amide:sc= -0.953 F(o=-3.1!,f=-0.95) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 92:sc= -5.95! USER MOD Single : A 91 SER OG : rot 70:sc= 0.143 USER MOD Single : A 92 SER OG : rot 180:sc= 0.00317 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.599 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 55:sc= 0.211 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00629 USER MOD Single : A 102 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.29) USER MOD Single : A 103 TYR OH : rot -130:sc= -0.858 USER MOD Single : A 104 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.6!) USER MOD Single : A 105 THR OG1 : rot -3:sc= 1.02 USER MOD Single : A 107 THR OG1 : rot -170:sc= -0.155 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.342 18.460 0.126 1.00 0.00 N ATOM 2 CA ALA A 1 8.370 18.020 1.111 1.00 0.00 C ATOM 3 C ALA A 1 7.683 17.319 2.285 1.00 0.00 C ATOM 4 O ALA A 1 8.252 17.167 3.348 1.00 0.00 O ATOM 5 CB ALA A 1 9.140 19.238 1.625 1.00 0.00 C ATOM 0 H1 ALA A 1 7.793 19.038 -0.611 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.900 17.626 -0.310 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.615 19.023 0.611 1.00 0.00 H new ATOM 0 HA ALA A 1 9.063 17.330 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.892 18.916 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.629 19.738 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.448 19.929 2.107 1.00 0.00 H new ATOM 13 N GLN A 2 6.464 16.890 2.102 1.00 0.00 N ATOM 14 CA GLN A 2 5.745 16.199 3.209 1.00 0.00 C ATOM 15 C GLN A 2 5.555 14.724 2.849 1.00 0.00 C ATOM 16 O GLN A 2 4.631 14.360 2.148 1.00 0.00 O ATOM 17 CB GLN A 2 4.377 16.853 3.417 1.00 0.00 C ATOM 18 CG GLN A 2 3.854 16.511 4.813 1.00 0.00 C ATOM 19 CD GLN A 2 2.852 17.578 5.261 1.00 0.00 C ATOM 20 OE1 GLN A 2 2.799 17.928 6.423 1.00 0.00 O ATOM 21 NE2 GLN A 2 2.052 18.114 4.380 1.00 0.00 N ATOM 0 H GLN A 2 5.936 16.988 1.235 1.00 0.00 H new ATOM 0 HA GLN A 2 6.328 16.278 4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.458 17.934 3.302 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.676 16.503 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.377 15.531 4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.682 16.456 5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.097 17.820 3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.382 18.827 4.667 1.00 0.00 H new ATOM 30 N VAL A 3 6.422 13.872 3.323 1.00 0.00 N ATOM 31 CA VAL A 3 6.290 12.421 3.009 1.00 0.00 C ATOM 32 C VAL A 3 4.871 11.955 3.338 1.00 0.00 C ATOM 33 O VAL A 3 4.330 12.267 4.380 1.00 0.00 O ATOM 34 CB VAL A 3 7.295 11.626 3.844 1.00 0.00 C ATOM 35 CG1 VAL A 3 8.714 11.934 3.366 1.00 0.00 C ATOM 36 CG2 VAL A 3 7.157 12.022 5.316 1.00 0.00 C ATOM 0 H VAL A 3 7.216 14.118 3.914 1.00 0.00 H new ATOM 0 HA VAL A 3 6.489 12.259 1.950 1.00 0.00 H new ATOM 0 HB VAL A 3 7.098 10.560 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.430 11.367 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.813 11.655 2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.912 13.000 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.872 11.457 5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.355 13.088 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.145 11.803 5.658 1.00 0.00 H new ATOM 46 N ILE A 4 4.262 11.209 2.456 1.00 0.00 N ATOM 47 CA ILE A 4 2.878 10.724 2.720 1.00 0.00 C ATOM 48 C ILE A 4 2.888 9.200 2.857 1.00 0.00 C ATOM 49 O ILE A 4 3.010 8.481 1.887 1.00 0.00 O ATOM 50 CB ILE A 4 1.967 11.123 1.559 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.843 12.647 1.508 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.581 10.506 1.762 1.00 0.00 C ATOM 53 CD1 ILE A 4 2.458 13.167 0.208 1.00 0.00 C ATOM 0 H ILE A 4 4.663 10.915 1.565 1.00 0.00 H new ATOM 0 HA ILE A 4 2.508 11.170 3.643 1.00 0.00 H new ATOM 0 HB ILE A 4 2.393 10.761 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.795 12.939 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.348 13.092 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.069 10.790 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.668 9.420 1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.155 10.868 2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.369 14.253 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.511 12.887 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.933 12.732 -0.642 1.00 0.00 H new ATOM 65 N ASN A 5 2.760 8.703 4.057 1.00 0.00 N ATOM 66 CA ASN A 5 2.761 7.227 4.254 1.00 0.00 C ATOM 67 C ASN A 5 1.826 6.868 5.410 1.00 0.00 C ATOM 68 O ASN A 5 2.247 6.338 6.420 1.00 0.00 O ATOM 69 CB ASN A 5 4.180 6.754 4.579 1.00 0.00 C ATOM 70 CG ASN A 5 4.608 7.314 5.937 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.452 8.490 6.200 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.146 6.514 6.817 1.00 0.00 N ATOM 0 H ASN A 5 2.655 9.255 4.908 1.00 0.00 H new ATOM 0 HA ASN A 5 2.417 6.739 3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.216 5.665 4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.871 7.084 3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.436 6.876 7.726 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.277 5.527 6.596 1.00 0.00 H new ATOM 79 N THR A 6 0.561 7.153 5.272 1.00 0.00 N ATOM 80 CA THR A 6 -0.398 6.827 6.364 1.00 0.00 C ATOM 81 C THR A 6 -1.743 6.420 5.756 1.00 0.00 C ATOM 82 O THR A 6 -1.885 6.315 4.554 1.00 0.00 O ATOM 83 CB THR A 6 -0.590 8.053 7.258 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.587 9.228 6.458 1.00 0.00 O ATOM 85 CG2 THR A 6 0.546 8.124 8.277 1.00 0.00 C ATOM 0 H THR A 6 0.150 7.597 4.451 1.00 0.00 H new ATOM 0 HA THR A 6 -0.005 6.003 6.960 1.00 0.00 H new ATOM 0 HB THR A 6 -1.542 7.975 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.712 10.014 7.030 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.409 8.998 8.914 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.541 7.223 8.891 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.499 8.202 7.754 1.00 0.00 H new ATOM 93 N PHE A 7 -2.729 6.186 6.577 1.00 0.00 N ATOM 94 CA PHE A 7 -4.060 5.781 6.044 1.00 0.00 C ATOM 95 C PHE A 7 -4.813 7.016 5.542 1.00 0.00 C ATOM 96 O PHE A 7 -5.257 7.066 4.415 1.00 0.00 O ATOM 97 CB PHE A 7 -4.871 5.105 7.152 1.00 0.00 C ATOM 98 CG PHE A 7 -4.241 3.780 7.502 1.00 0.00 C ATOM 99 CD1 PHE A 7 -4.060 2.805 6.514 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.839 3.525 8.817 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.476 1.575 6.842 1.00 0.00 C ATOM 102 CE2 PHE A 7 -3.254 2.297 9.147 1.00 0.00 C ATOM 103 CZ PHE A 7 -3.073 1.321 8.159 1.00 0.00 C ATOM 0 H PHE A 7 -2.671 6.258 7.593 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.919 5.084 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.907 5.746 8.033 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.900 4.955 6.824 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.371 3.001 5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.980 4.277 9.579 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.337 0.823 6.080 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.942 2.102 10.163 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.623 0.373 8.413 1.00 0.00 H new ATOM 113 N ASP A 8 -4.967 8.009 6.374 1.00 0.00 N ATOM 114 CA ASP A 8 -5.696 9.238 5.943 1.00 0.00 C ATOM 115 C ASP A 8 -4.846 10.028 4.942 1.00 0.00 C ATOM 116 O ASP A 8 -5.362 10.662 4.040 1.00 0.00 O ATOM 117 CB ASP A 8 -5.987 10.111 7.166 1.00 0.00 C ATOM 118 CG ASP A 8 -7.454 9.954 7.567 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.796 8.906 8.091 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.213 10.883 7.342 1.00 0.00 O ATOM 0 H ASP A 8 -4.620 8.024 7.333 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.633 8.950 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.340 9.823 7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.770 11.155 6.941 1.00 0.00 H new ATOM 125 N GLY A 9 -3.550 10.004 5.095 1.00 0.00 N ATOM 126 CA GLY A 9 -2.673 10.763 4.159 1.00 0.00 C ATOM 127 C GLY A 9 -2.722 10.128 2.771 1.00 0.00 C ATOM 128 O GLY A 9 -2.981 10.788 1.785 1.00 0.00 O ATOM 0 H GLY A 9 -3.060 9.491 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.997 11.802 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.648 10.768 4.530 1.00 0.00 H new ATOM 132 N VAL A 10 -2.473 8.851 2.686 1.00 0.00 N ATOM 133 CA VAL A 10 -2.504 8.181 1.356 1.00 0.00 C ATOM 134 C VAL A 10 -3.934 8.187 0.820 1.00 0.00 C ATOM 135 O VAL A 10 -4.164 8.387 -0.355 1.00 0.00 O ATOM 136 CB VAL A 10 -2.013 6.739 1.496 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.940 6.089 0.112 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.623 6.735 2.133 1.00 0.00 C ATOM 0 H VAL A 10 -2.250 8.245 3.476 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.854 8.716 0.663 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.704 6.179 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.590 5.061 0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.930 6.093 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.248 6.649 -0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.272 5.708 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.068 7.295 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.673 7.199 3.118 1.00 0.00 H new ATOM 148 N ALA A 11 -4.898 7.983 1.673 1.00 0.00 N ATOM 149 CA ALA A 11 -6.310 7.994 1.207 1.00 0.00 C ATOM 150 C ALA A 11 -6.600 9.362 0.593 1.00 0.00 C ATOM 151 O ALA A 11 -7.261 9.476 -0.421 1.00 0.00 O ATOM 152 CB ALA A 11 -7.245 7.752 2.393 1.00 0.00 C ATOM 0 H ALA A 11 -4.769 7.810 2.670 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.470 7.209 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.279 7.761 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.020 6.785 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.103 8.538 3.135 1.00 0.00 H new ATOM 158 N ASP A 12 -6.093 10.403 1.197 1.00 0.00 N ATOM 159 CA ASP A 12 -6.318 11.768 0.652 1.00 0.00 C ATOM 160 C ASP A 12 -5.646 11.879 -0.716 1.00 0.00 C ATOM 161 O ASP A 12 -6.273 12.212 -1.703 1.00 0.00 O ATOM 162 CB ASP A 12 -5.705 12.798 1.601 1.00 0.00 C ATOM 163 CG ASP A 12 -6.814 13.489 2.395 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.793 13.887 1.786 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.667 13.607 3.601 1.00 0.00 O ATOM 0 H ASP A 12 -5.531 10.364 2.047 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.388 11.953 0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.007 12.310 2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.136 13.535 1.035 1.00 0.00 H new ATOM 170 N TYR A 13 -4.371 11.600 -0.785 1.00 0.00 N ATOM 171 CA TYR A 13 -3.662 11.689 -2.092 1.00 0.00 C ATOM 172 C TYR A 13 -4.318 10.733 -3.088 1.00 0.00 C ATOM 173 O TYR A 13 -4.181 10.879 -4.287 1.00 0.00 O ATOM 174 CB TYR A 13 -2.192 11.306 -1.905 1.00 0.00 C ATOM 175 CG TYR A 13 -1.380 11.849 -3.057 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.204 11.078 -4.214 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.806 13.122 -2.970 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.452 11.582 -5.282 1.00 0.00 C ATOM 179 CE2 TYR A 13 -0.054 13.626 -4.039 1.00 0.00 C ATOM 180 CZ TYR A 13 0.123 12.856 -5.194 1.00 0.00 C ATOM 181 OH TYR A 13 0.865 13.352 -6.247 1.00 0.00 O ATOM 0 H TYR A 13 -3.793 11.315 0.005 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.722 12.709 -2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.818 11.706 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.091 10.222 -1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.648 10.096 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.943 13.716 -2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.315 10.988 -6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.389 14.609 -3.972 1.00 0.00 H new ATOM 0 HH TYR A 13 0.309 13.955 -6.783 1.00 0.00 H new ATOM 191 N LEU A 14 -5.036 9.757 -2.601 1.00 0.00 N ATOM 192 CA LEU A 14 -5.705 8.793 -3.519 1.00 0.00 C ATOM 193 C LEU A 14 -6.929 9.461 -4.144 1.00 0.00 C ATOM 194 O LEU A 14 -6.989 9.674 -5.335 1.00 0.00 O ATOM 195 CB LEU A 14 -6.138 7.555 -2.730 1.00 0.00 C ATOM 196 CG LEU A 14 -5.060 6.475 -2.846 1.00 0.00 C ATOM 197 CD1 LEU A 14 -4.985 5.686 -1.539 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.414 5.526 -3.994 1.00 0.00 C ATOM 0 H LEU A 14 -5.188 9.586 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.013 8.493 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.297 7.815 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.087 7.180 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.096 6.943 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.217 4.917 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.736 6.361 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.949 5.217 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.648 4.756 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.378 5.058 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.469 6.088 -4.927 1.00 0.00 H new ATOM 210 N GLN A 15 -7.906 9.803 -3.351 1.00 0.00 N ATOM 211 CA GLN A 15 -9.117 10.467 -3.913 1.00 0.00 C ATOM 212 C GLN A 15 -8.758 11.890 -4.351 1.00 0.00 C ATOM 213 O GLN A 15 -9.563 12.592 -4.931 1.00 0.00 O ATOM 214 CB GLN A 15 -10.215 10.515 -2.849 1.00 0.00 C ATOM 215 CG GLN A 15 -10.644 9.089 -2.499 1.00 0.00 C ATOM 216 CD GLN A 15 -12.133 9.074 -2.146 1.00 0.00 C ATOM 217 OE1 GLN A 15 -12.815 10.068 -2.294 1.00 0.00 O ATOM 218 NE2 GLN A 15 -12.669 7.979 -1.680 1.00 0.00 N ATOM 0 H GLN A 15 -7.919 9.653 -2.342 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.477 9.903 -4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.851 11.026 -1.958 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.069 11.084 -3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.453 8.424 -3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.057 8.717 -1.659 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.097 7.144 -1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.660 7.958 -1.440 1.00 0.00 H new ATOM 227 N THR A 16 -7.555 12.322 -4.077 1.00 0.00 N ATOM 228 CA THR A 16 -7.146 13.699 -4.477 1.00 0.00 C ATOM 229 C THR A 16 -6.441 13.650 -5.829 1.00 0.00 C ATOM 230 O THR A 16 -6.927 14.158 -6.819 1.00 0.00 O ATOM 231 CB THR A 16 -6.195 14.275 -3.426 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.884 14.413 -2.193 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.687 15.643 -3.888 1.00 0.00 C ATOM 0 H THR A 16 -6.839 11.780 -3.594 1.00 0.00 H new ATOM 0 HA THR A 16 -8.030 14.332 -4.552 1.00 0.00 H new ATOM 0 HB THR A 16 -5.347 13.603 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.098 13.525 -1.837 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.010 16.052 -3.138 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.157 15.534 -4.834 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.532 16.319 -4.021 1.00 0.00 H new ATOM 241 N TYR A 17 -5.300 13.039 -5.868 1.00 0.00 N ATOM 242 CA TYR A 17 -4.541 12.943 -7.146 1.00 0.00 C ATOM 243 C TYR A 17 -4.958 11.673 -7.892 1.00 0.00 C ATOM 244 O TYR A 17 -4.427 11.352 -8.936 1.00 0.00 O ATOM 245 CB TYR A 17 -3.042 12.886 -6.846 1.00 0.00 C ATOM 246 CG TYR A 17 -2.579 14.230 -6.336 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.689 14.539 -4.975 1.00 0.00 C ATOM 248 CD2 TYR A 17 -2.040 15.167 -7.226 1.00 0.00 C ATOM 249 CE1 TYR A 17 -2.260 15.785 -4.503 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.610 16.413 -6.754 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.720 16.722 -5.393 1.00 0.00 C ATOM 252 OH TYR A 17 -1.298 17.951 -4.928 1.00 0.00 O ATOM 0 H TYR A 17 -4.852 12.596 -5.066 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.756 13.816 -7.762 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.838 12.114 -6.104 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.490 12.617 -7.747 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.105 13.816 -4.289 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.956 14.929 -8.276 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.345 16.024 -3.453 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.193 17.136 -7.440 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.949 18.481 -5.675 1.00 0.00 H new ATOM 262 N HIS A 18 -5.908 10.950 -7.365 1.00 0.00 N ATOM 263 CA HIS A 18 -6.361 9.703 -8.040 1.00 0.00 C ATOM 264 C HIS A 18 -5.145 8.900 -8.502 1.00 0.00 C ATOM 265 O HIS A 18 -5.068 8.456 -9.630 1.00 0.00 O ATOM 266 CB HIS A 18 -7.241 10.066 -9.236 1.00 0.00 C ATOM 267 CG HIS A 18 -8.597 10.477 -8.732 1.00 0.00 C ATOM 268 ND1 HIS A 18 -9.022 10.904 -7.497 1.00 0.00 N flip ATOM 269 CD2 HIS A 18 -9.726 10.460 -9.536 1.00 0.00 C flip ATOM 270 CE1 HIS A 18 -10.391 11.147 -7.531 1.00 0.00 C flip ATOM 271 NE2 HIS A 18 -10.765 10.863 -8.780 1.00 0.00 N flip ATOM 0 H HIS A 18 -6.391 11.171 -6.494 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.939 9.096 -7.343 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.788 10.878 -9.806 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.331 9.215 -9.911 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.765 10.176 -10.577 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.017 11.491 -6.721 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.723 10.942 -9.121 1.00 0.00 H new ATOM 279 N LYS A 19 -4.194 8.707 -7.626 1.00 0.00 N ATOM 280 CA LYS A 19 -2.977 7.930 -7.991 1.00 0.00 C ATOM 281 C LYS A 19 -1.990 7.966 -6.824 1.00 0.00 C ATOM 282 O LYS A 19 -1.670 9.016 -6.302 1.00 0.00 O ATOM 283 CB LYS A 19 -2.318 8.547 -9.226 1.00 0.00 C ATOM 284 CG LYS A 19 -1.885 9.979 -8.910 1.00 0.00 C ATOM 285 CD LYS A 19 -1.726 10.764 -10.213 1.00 0.00 C ATOM 286 CE LYS A 19 -0.650 11.837 -10.035 1.00 0.00 C ATOM 287 NZ LYS A 19 -0.715 12.799 -11.171 1.00 0.00 N ATOM 0 H LYS A 19 -4.210 9.057 -6.668 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.258 6.900 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.455 7.953 -9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.015 8.543 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.625 10.461 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.944 9.973 -8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.452 10.090 -11.025 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.674 11.227 -10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.797 12.362 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.336 11.375 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.016 13.529 -11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.554 12.292 -12.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.653 13.249 -11.192 1.00 0.00 H new ATOM 301 N LEU A 20 -1.503 6.829 -6.410 1.00 0.00 N ATOM 302 CA LEU A 20 -0.537 6.806 -5.276 1.00 0.00 C ATOM 303 C LEU A 20 0.537 7.874 -5.507 1.00 0.00 C ATOM 304 O LEU A 20 0.876 8.173 -6.634 1.00 0.00 O ATOM 305 CB LEU A 20 0.127 5.427 -5.202 1.00 0.00 C ATOM 306 CG LEU A 20 -0.932 4.364 -4.914 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.243 3.042 -4.570 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.792 4.812 -3.730 1.00 0.00 C ATOM 0 H LEU A 20 -1.731 5.917 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.062 7.009 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.634 5.205 -6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.887 5.419 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.563 4.229 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.997 2.282 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.373 2.723 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.386 3.178 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.548 4.055 -3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.161 4.944 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.280 5.756 -3.972 1.00 0.00 H new ATOM 320 N PRO A 21 1.043 8.414 -4.428 1.00 0.00 N ATOM 321 CA PRO A 21 2.089 9.450 -4.489 1.00 0.00 C ATOM 322 C PRO A 21 3.268 8.968 -5.332 1.00 0.00 C ATOM 323 O PRO A 21 3.435 7.787 -5.565 1.00 0.00 O ATOM 324 CB PRO A 21 2.520 9.654 -3.032 1.00 0.00 C ATOM 325 CG PRO A 21 1.524 8.871 -2.138 1.00 0.00 C ATOM 326 CD PRO A 21 0.622 8.039 -3.066 1.00 0.00 C ATOM 0 HA PRO A 21 1.732 10.372 -4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.537 9.294 -2.879 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.515 10.713 -2.775 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.060 8.224 -1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.927 9.557 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.751 6.971 -2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.432 8.264 -2.901 1.00 0.00 H new ATOM 334 N ASP A 22 4.093 9.871 -5.781 1.00 0.00 N ATOM 335 CA ASP A 22 5.264 9.459 -6.595 1.00 0.00 C ATOM 336 C ASP A 22 6.250 8.702 -5.705 1.00 0.00 C ATOM 337 O ASP A 22 7.224 8.146 -6.173 1.00 0.00 O ATOM 338 CB ASP A 22 5.946 10.698 -7.178 1.00 0.00 C ATOM 339 CG ASP A 22 6.810 10.290 -8.373 1.00 0.00 C ATOM 340 OD1 ASP A 22 7.030 9.101 -8.540 1.00 0.00 O ATOM 341 OD2 ASP A 22 7.237 11.172 -9.100 1.00 0.00 O ATOM 0 H ASP A 22 4.006 10.874 -5.619 1.00 0.00 H new ATOM 0 HA ASP A 22 4.936 8.815 -7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.197 11.426 -7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.562 11.179 -6.418 1.00 0.00 H new ATOM 346 N ASN A 23 6.002 8.675 -4.424 1.00 0.00 N ATOM 347 CA ASN A 23 6.925 7.950 -3.505 1.00 0.00 C ATOM 348 C ASN A 23 6.435 6.513 -3.317 1.00 0.00 C ATOM 349 O ASN A 23 6.909 5.794 -2.461 1.00 0.00 O ATOM 350 CB ASN A 23 6.958 8.660 -2.150 1.00 0.00 C ATOM 351 CG ASN A 23 5.549 8.698 -1.555 1.00 0.00 C ATOM 352 OD1 ASN A 23 4.823 7.727 -1.621 1.00 0.00 O ATOM 353 ND2 ASN A 23 5.129 9.788 -0.973 1.00 0.00 N ATOM 0 H ASN A 23 5.203 9.122 -3.975 1.00 0.00 H new ATOM 0 HA ASN A 23 7.927 7.938 -3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.636 8.141 -1.473 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.341 9.674 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.191 9.824 -0.574 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.739 10.604 -0.917 1.00 0.00 H new ATOM 360 N TYR A 24 5.489 6.086 -4.111 1.00 0.00 N ATOM 361 CA TYR A 24 4.978 4.693 -3.967 1.00 0.00 C ATOM 362 C TYR A 24 5.519 3.825 -5.101 1.00 0.00 C ATOM 363 O TYR A 24 4.912 3.700 -6.146 1.00 0.00 O ATOM 364 CB TYR A 24 3.449 4.689 -4.014 1.00 0.00 C ATOM 365 CG TYR A 24 2.908 4.657 -2.606 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.727 3.432 -1.953 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.592 5.852 -1.953 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.230 3.403 -0.646 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.094 5.824 -0.645 1.00 0.00 C ATOM 370 CZ TYR A 24 1.912 4.600 0.009 1.00 0.00 C ATOM 371 OH TYR A 24 1.421 4.573 1.297 1.00 0.00 O ATOM 0 H TYR A 24 5.051 6.638 -4.848 1.00 0.00 H new ATOM 0 HA TYR A 24 5.311 4.293 -3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.087 5.575 -4.535 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.093 3.823 -4.573 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.971 2.509 -2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.732 6.797 -2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.091 2.458 -0.142 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.850 6.747 -0.140 1.00 0.00 H new ATOM 0 HH TYR A 24 1.669 3.726 1.724 1.00 0.00 H new ATOM 381 N ILE A 25 6.648 3.211 -4.896 1.00 0.00 N ATOM 382 CA ILE A 25 7.220 2.335 -5.951 1.00 0.00 C ATOM 383 C ILE A 25 6.883 0.886 -5.613 1.00 0.00 C ATOM 384 O ILE A 25 7.196 0.403 -4.542 1.00 0.00 O ATOM 385 CB ILE A 25 8.738 2.513 -6.002 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.336 2.171 -4.635 1.00 0.00 C ATOM 387 CG2 ILE A 25 9.069 3.963 -6.356 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.302 0.994 -4.780 1.00 0.00 C ATOM 0 H ILE A 25 7.200 3.278 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 25 6.802 2.599 -6.922 1.00 0.00 H new ATOM 0 HB ILE A 25 9.158 1.850 -6.759 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.859 3.036 -4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.542 1.919 -3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.151 4.091 -6.393 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.642 4.207 -7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.651 4.627 -5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.728 0.751 -3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.765 0.128 -5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.103 1.263 -5.469 1.00 0.00 H new ATOM 400 N THR A 26 6.240 0.189 -6.506 1.00 0.00 N ATOM 401 CA THR A 26 5.879 -1.226 -6.220 1.00 0.00 C ATOM 402 C THR A 26 7.100 -1.963 -5.671 1.00 0.00 C ATOM 403 O THR A 26 8.181 -1.415 -5.581 1.00 0.00 O ATOM 404 CB THR A 26 5.408 -1.906 -7.503 1.00 0.00 C ATOM 405 OG1 THR A 26 6.496 -2.010 -8.411 1.00 0.00 O ATOM 406 CG2 THR A 26 4.285 -1.086 -8.138 1.00 0.00 C ATOM 0 H THR A 26 5.949 0.537 -7.420 1.00 0.00 H new ATOM 0 HA THR A 26 5.077 -1.251 -5.483 1.00 0.00 H new ATOM 0 HB THR A 26 5.035 -2.903 -7.268 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.194 -2.448 -9.234 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.951 -1.574 -9.054 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.450 -1.012 -7.441 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.652 -0.087 -8.373 1.00 0.00 H new ATOM 414 N LYS A 27 6.942 -3.205 -5.307 1.00 0.00 N ATOM 415 CA LYS A 27 8.108 -3.964 -4.764 1.00 0.00 C ATOM 416 C LYS A 27 9.099 -4.232 -5.893 1.00 0.00 C ATOM 417 O LYS A 27 10.282 -3.998 -5.755 1.00 0.00 O ATOM 418 CB LYS A 27 7.676 -5.304 -4.147 1.00 0.00 C ATOM 419 CG LYS A 27 6.152 -5.386 -4.017 1.00 0.00 C ATOM 420 CD LYS A 27 5.778 -6.525 -3.069 1.00 0.00 C ATOM 421 CE LYS A 27 4.257 -6.665 -3.017 1.00 0.00 C ATOM 422 NZ LYS A 27 3.653 -5.357 -2.638 1.00 0.00 N ATOM 0 H LYS A 27 6.066 -3.725 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 27 8.568 -3.362 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.036 -6.126 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.135 -5.420 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.758 -4.442 -3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.702 -5.552 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.228 -7.458 -3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.170 -6.326 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.877 -6.986 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.976 -7.431 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.740 -5.520 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.293 -4.854 -1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.504 -4.783 -3.492 1.00 0.00 H new ATOM 436 N SER A 28 8.633 -4.709 -7.015 1.00 0.00 N ATOM 437 CA SER A 28 9.565 -4.968 -8.144 1.00 0.00 C ATOM 438 C SER A 28 10.351 -3.688 -8.413 1.00 0.00 C ATOM 439 O SER A 28 11.538 -3.711 -8.687 1.00 0.00 O ATOM 440 CB SER A 28 8.771 -5.357 -9.391 1.00 0.00 C ATOM 441 OG SER A 28 8.635 -6.771 -9.441 1.00 0.00 O ATOM 0 H SER A 28 7.654 -4.929 -7.196 1.00 0.00 H new ATOM 0 HA SER A 28 10.244 -5.784 -7.894 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.788 -4.886 -9.371 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.279 -4.997 -10.286 1.00 0.00 H new ATOM 0 HG SER A 28 8.125 -7.023 -10.239 1.00 0.00 H new ATOM 447 N GLU A 29 9.694 -2.565 -8.317 1.00 0.00 N ATOM 448 CA GLU A 29 10.393 -1.275 -8.548 1.00 0.00 C ATOM 449 C GLU A 29 11.555 -1.174 -7.567 1.00 0.00 C ATOM 450 O GLU A 29 12.638 -0.754 -7.917 1.00 0.00 O ATOM 451 CB GLU A 29 9.426 -0.113 -8.321 1.00 0.00 C ATOM 452 CG GLU A 29 8.503 0.031 -9.533 1.00 0.00 C ATOM 453 CD GLU A 29 9.293 0.597 -10.714 1.00 0.00 C ATOM 454 OE1 GLU A 29 9.570 1.785 -10.700 1.00 0.00 O ATOM 455 OE2 GLU A 29 9.607 -0.167 -11.612 1.00 0.00 O ATOM 0 H GLU A 29 8.703 -2.488 -8.088 1.00 0.00 H new ATOM 0 HA GLU A 29 10.761 -1.229 -9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.836 -0.288 -7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.982 0.811 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.079 -0.938 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.669 0.689 -9.291 1.00 0.00 H new ATOM 462 N ALA A 30 11.348 -1.576 -6.341 1.00 0.00 N ATOM 463 CA ALA A 30 12.458 -1.513 -5.355 1.00 0.00 C ATOM 464 C ALA A 30 13.534 -2.509 -5.783 1.00 0.00 C ATOM 465 O ALA A 30 14.714 -2.276 -5.613 1.00 0.00 O ATOM 466 CB ALA A 30 11.935 -1.876 -3.964 1.00 0.00 C ATOM 0 H ALA A 30 10.465 -1.942 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 30 12.873 -0.506 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.752 -1.829 -3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.154 -1.173 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.525 -2.886 -3.981 1.00 0.00 H new ATOM 472 N GLN A 31 13.132 -3.610 -6.360 1.00 0.00 N ATOM 473 CA GLN A 31 14.128 -4.612 -6.821 1.00 0.00 C ATOM 474 C GLN A 31 14.999 -3.965 -7.894 1.00 0.00 C ATOM 475 O GLN A 31 16.178 -4.237 -8.004 1.00 0.00 O ATOM 476 CB GLN A 31 13.400 -5.822 -7.412 1.00 0.00 C ATOM 477 CG GLN A 31 12.912 -6.728 -6.281 1.00 0.00 C ATOM 478 CD GLN A 31 13.488 -8.133 -6.467 1.00 0.00 C ATOM 479 OE1 GLN A 31 14.107 -8.420 -7.473 1.00 0.00 O ATOM 480 NE2 GLN A 31 13.311 -9.026 -5.533 1.00 0.00 N ATOM 0 H GLN A 31 12.157 -3.856 -6.531 1.00 0.00 H new ATOM 0 HA GLN A 31 14.745 -4.942 -5.985 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.556 -5.492 -8.017 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.068 -6.375 -8.072 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.220 -6.322 -5.317 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.823 -6.768 -6.277 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.792 -8.785 -4.689 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.692 -9.965 -5.647 1.00 0.00 H new ATOM 489 N ALA A 32 14.421 -3.104 -8.688 1.00 0.00 N ATOM 490 CA ALA A 32 15.207 -2.431 -9.752 1.00 0.00 C ATOM 491 C ALA A 32 16.361 -1.656 -9.123 1.00 0.00 C ATOM 492 O ALA A 32 17.437 -1.551 -9.678 1.00 0.00 O ATOM 493 CB ALA A 32 14.306 -1.467 -10.526 1.00 0.00 C ATOM 0 H ALA A 32 13.437 -2.840 -8.643 1.00 0.00 H new ATOM 0 HA ALA A 32 15.604 -3.182 -10.435 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.886 -0.974 -11.306 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.485 -2.022 -10.980 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.905 -0.717 -9.844 1.00 0.00 H new ATOM 499 N LEU A 33 16.134 -1.110 -7.971 1.00 0.00 N ATOM 500 CA LEU A 33 17.198 -0.326 -7.282 1.00 0.00 C ATOM 501 C LEU A 33 18.166 -1.268 -6.567 1.00 0.00 C ATOM 502 O LEU A 33 19.255 -0.888 -6.186 1.00 0.00 O ATOM 503 CB LEU A 33 16.548 0.613 -6.275 1.00 0.00 C ATOM 504 CG LEU A 33 15.859 1.736 -7.040 1.00 0.00 C ATOM 505 CD1 LEU A 33 14.350 1.488 -7.069 1.00 0.00 C ATOM 506 CD2 LEU A 33 16.159 3.067 -6.356 1.00 0.00 C ATOM 0 H LEU A 33 15.249 -1.170 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 33 17.757 0.253 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.826 0.072 -5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.298 1.020 -5.597 1.00 0.00 H new ATOM 0 HG LEU A 33 16.230 1.766 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.859 2.293 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.147 0.537 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.967 1.457 -6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.668 3.874 -6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.788 3.041 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.236 3.237 -6.348 1.00 0.00 H new ATOM 518 N GLY A 34 17.775 -2.493 -6.386 1.00 0.00 N ATOM 519 CA GLY A 34 18.665 -3.470 -5.695 1.00 0.00 C ATOM 520 C GLY A 34 18.039 -3.881 -4.363 1.00 0.00 C ATOM 521 O GLY A 34 18.716 -4.020 -3.363 1.00 0.00 O ATOM 0 H GLY A 34 16.874 -2.865 -6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.816 -4.348 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.646 -3.027 -5.526 1.00 0.00 H new ATOM 525 N TRP A 35 16.750 -4.078 -4.339 1.00 0.00 N ATOM 526 CA TRP A 35 16.079 -4.480 -3.070 1.00 0.00 C ATOM 527 C TRP A 35 15.679 -5.957 -3.156 1.00 0.00 C ATOM 528 O TRP A 35 14.897 -6.351 -3.998 1.00 0.00 O ATOM 529 CB TRP A 35 14.836 -3.602 -2.857 1.00 0.00 C ATOM 530 CG TRP A 35 13.844 -4.296 -1.971 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.956 -4.433 -0.630 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.596 -4.947 -2.346 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.854 -5.125 -0.158 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.988 -5.463 -1.179 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.939 -5.137 -3.575 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.770 -6.143 -1.230 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.715 -5.821 -3.629 1.00 0.00 C ATOM 538 CH2 TRP A 35 10.132 -6.322 -2.458 1.00 0.00 C ATOM 0 H TRP A 35 16.131 -3.978 -5.144 1.00 0.00 H new ATOM 0 HA TRP A 35 16.758 -4.346 -2.228 1.00 0.00 H new ATOM 0 HB2 TRP A 35 15.128 -2.652 -2.410 1.00 0.00 H new ATOM 0 HB3 TRP A 35 14.376 -3.374 -3.819 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.772 -4.063 -0.026 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.701 -5.357 0.823 1.00 0.00 H new ATOM 0 HE3 TRP A 35 12.380 -4.754 -4.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.324 -6.528 -0.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 10.220 -5.962 -4.578 1.00 0.00 H new ATOM 0 HH2 TRP A 35 9.189 -6.847 -2.506 1.00 0.00 H new ATOM 549 N VAL A 36 16.204 -6.772 -2.283 1.00 0.00 N ATOM 550 CA VAL A 36 15.845 -8.216 -2.307 1.00 0.00 C ATOM 551 C VAL A 36 14.625 -8.439 -1.416 1.00 0.00 C ATOM 552 O VAL A 36 14.693 -8.302 -0.211 1.00 0.00 O ATOM 553 CB VAL A 36 17.016 -9.048 -1.784 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.744 -10.530 -2.045 1.00 0.00 C ATOM 555 CG2 VAL A 36 18.301 -8.632 -2.503 1.00 0.00 C ATOM 0 H VAL A 36 16.865 -6.500 -1.555 1.00 0.00 H new ATOM 0 HA VAL A 36 15.619 -8.520 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 36 17.129 -8.881 -0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.578 -11.124 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.829 -10.828 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.630 -10.696 -3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.135 -9.226 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.188 -8.798 -3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.496 -7.576 -2.318 1.00 0.00 H new ATOM 565 N ALA A 37 13.506 -8.774 -1.995 1.00 0.00 N ATOM 566 CA ALA A 37 12.283 -8.996 -1.175 1.00 0.00 C ATOM 567 C ALA A 37 12.572 -10.033 -0.086 1.00 0.00 C ATOM 568 O ALA A 37 11.854 -10.140 0.888 1.00 0.00 O ATOM 569 CB ALA A 37 11.152 -9.502 -2.073 1.00 0.00 C ATOM 0 H ALA A 37 13.386 -8.904 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 37 11.987 -8.056 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.256 -9.665 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.942 -8.762 -2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.451 -10.440 -2.541 1.00 0.00 H new ATOM 575 N SER A 38 13.615 -10.800 -0.244 1.00 0.00 N ATOM 576 CA SER A 38 13.945 -11.830 0.780 1.00 0.00 C ATOM 577 C SER A 38 14.693 -11.179 1.947 1.00 0.00 C ATOM 578 O SER A 38 14.527 -11.557 3.089 1.00 0.00 O ATOM 579 CB SER A 38 14.826 -12.907 0.148 1.00 0.00 C ATOM 580 OG SER A 38 14.135 -14.149 0.164 1.00 0.00 O ATOM 0 H SER A 38 14.253 -10.758 -1.038 1.00 0.00 H new ATOM 0 HA SER A 38 13.024 -12.280 1.150 1.00 0.00 H new ATOM 0 HB2 SER A 38 15.079 -12.632 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 38 15.764 -12.993 0.696 1.00 0.00 H new ATOM 0 HG SER A 38 14.697 -14.841 -0.242 1.00 0.00 H new ATOM 586 N LYS A 39 15.517 -10.207 1.669 1.00 0.00 N ATOM 587 CA LYS A 39 16.278 -9.539 2.764 1.00 0.00 C ATOM 588 C LYS A 39 15.477 -8.350 3.302 1.00 0.00 C ATOM 589 O LYS A 39 15.808 -7.777 4.320 1.00 0.00 O ATOM 590 CB LYS A 39 17.623 -9.048 2.223 1.00 0.00 C ATOM 591 CG LYS A 39 18.543 -10.246 1.978 1.00 0.00 C ATOM 592 CD LYS A 39 19.732 -10.180 2.939 1.00 0.00 C ATOM 593 CE LYS A 39 20.833 -11.126 2.457 1.00 0.00 C ATOM 594 NZ LYS A 39 21.736 -10.399 1.521 1.00 0.00 N ATOM 0 H LYS A 39 15.697 -9.846 0.732 1.00 0.00 H new ATOM 0 HA LYS A 39 16.448 -10.251 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.474 -8.495 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 39 18.084 -8.361 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.994 -11.176 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.895 -10.243 0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.113 -9.160 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.416 -10.456 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 39 21.401 -11.504 3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.393 -11.990 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 22.485 -11.041 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.189 -10.059 0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 22.165 -9.589 2.012 1.00 0.00 H new ATOM 608 N GLY A 40 14.424 -7.976 2.626 1.00 0.00 N ATOM 609 CA GLY A 40 13.600 -6.825 3.100 1.00 0.00 C ATOM 610 C GLY A 40 14.514 -5.689 3.563 1.00 0.00 C ATOM 611 O GLY A 40 14.250 -5.032 4.551 1.00 0.00 O ATOM 0 H GLY A 40 14.098 -8.417 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.950 -6.477 2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.954 -7.141 3.919 1.00 0.00 H new ATOM 615 N ASN A 41 15.589 -5.451 2.861 1.00 0.00 N ATOM 616 CA ASN A 41 16.516 -4.355 3.270 1.00 0.00 C ATOM 617 C ASN A 41 16.164 -3.068 2.513 1.00 0.00 C ATOM 618 O ASN A 41 17.029 -2.370 2.025 1.00 0.00 O ATOM 619 CB ASN A 41 17.964 -4.767 2.967 1.00 0.00 C ATOM 620 CG ASN A 41 18.284 -4.544 1.484 1.00 0.00 C ATOM 621 OD1 ASN A 41 19.427 -4.343 1.123 1.00 0.00 O ATOM 622 ND2 ASN A 41 17.321 -4.569 0.603 1.00 0.00 N ATOM 0 H ASN A 41 15.865 -5.966 2.025 1.00 0.00 H new ATOM 0 HA ASN A 41 16.414 -4.174 4.340 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.650 -4.188 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.112 -5.816 3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.529 -4.420 -0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 41 16.360 -4.737 0.902 1.00 0.00 H new ATOM 629 N LEU A 42 14.902 -2.751 2.415 1.00 0.00 N ATOM 630 CA LEU A 42 14.500 -1.509 1.693 1.00 0.00 C ATOM 631 C LEU A 42 15.152 -0.299 2.359 1.00 0.00 C ATOM 632 O LEU A 42 15.835 0.481 1.729 1.00 0.00 O ATOM 633 CB LEU A 42 12.979 -1.357 1.756 1.00 0.00 C ATOM 634 CG LEU A 42 12.481 -0.627 0.506 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.881 -1.412 -0.745 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.956 -0.507 0.561 1.00 0.00 C ATOM 0 H LEU A 42 14.132 -3.297 2.803 1.00 0.00 H new ATOM 0 HA LEU A 42 14.822 -1.573 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.509 -2.338 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.696 -0.802 2.650 1.00 0.00 H new ATOM 0 HG LEU A 42 12.927 0.367 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.525 -0.889 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.967 -1.500 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.437 -2.407 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.600 0.013 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.514 -1.503 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.667 0.054 1.449 1.00 0.00 H new ATOM 648 N ALA A 43 14.943 -0.133 3.632 1.00 0.00 N ATOM 649 CA ALA A 43 15.547 1.032 4.340 1.00 0.00 C ATOM 650 C ALA A 43 17.042 1.132 4.010 1.00 0.00 C ATOM 651 O ALA A 43 17.653 2.168 4.182 1.00 0.00 O ATOM 652 CB ALA A 43 15.375 0.852 5.850 1.00 0.00 C ATOM 0 H ALA A 43 14.380 -0.752 4.216 1.00 0.00 H new ATOM 0 HA ALA A 43 15.047 1.944 4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.816 1.702 6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.314 0.790 6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.873 -0.065 6.166 1.00 0.00 H new ATOM 658 N ASP A 44 17.643 0.065 3.552 1.00 0.00 N ATOM 659 CA ASP A 44 19.099 0.111 3.233 1.00 0.00 C ATOM 660 C ASP A 44 19.320 0.371 1.738 1.00 0.00 C ATOM 661 O ASP A 44 20.318 0.942 1.346 1.00 0.00 O ATOM 662 CB ASP A 44 19.740 -1.225 3.613 1.00 0.00 C ATOM 663 CG ASP A 44 20.077 -1.223 5.105 1.00 0.00 C ATOM 664 OD1 ASP A 44 20.165 -0.147 5.672 1.00 0.00 O ATOM 665 OD2 ASP A 44 20.242 -2.299 5.655 1.00 0.00 O ATOM 0 H ASP A 44 17.189 -0.833 3.386 1.00 0.00 H new ATOM 0 HA ASP A 44 19.556 0.923 3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.059 -2.045 3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 44 20.644 -1.387 3.025 1.00 0.00 H new ATOM 670 N VAL A 45 18.415 -0.050 0.895 1.00 0.00 N ATOM 671 CA VAL A 45 18.612 0.177 -0.569 1.00 0.00 C ATOM 672 C VAL A 45 17.727 1.332 -1.052 1.00 0.00 C ATOM 673 O VAL A 45 18.201 2.266 -1.670 1.00 0.00 O ATOM 674 CB VAL A 45 18.275 -1.104 -1.342 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.185 -2.237 -0.865 1.00 0.00 C ATOM 676 CG2 VAL A 45 16.815 -1.494 -1.100 1.00 0.00 C ATOM 0 H VAL A 45 17.556 -0.536 1.152 1.00 0.00 H new ATOM 0 HA VAL A 45 19.654 0.439 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 45 18.427 -0.929 -2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 45 18.948 -3.149 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.226 -1.967 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.031 -2.403 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.585 -2.405 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.656 -1.666 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.162 -0.689 -1.439 1.00 0.00 H new ATOM 686 N ALA A 46 16.451 1.286 -0.779 1.00 0.00 N ATOM 687 CA ALA A 46 15.554 2.390 -1.227 1.00 0.00 C ATOM 688 C ALA A 46 14.758 2.920 -0.028 1.00 0.00 C ATOM 689 O ALA A 46 13.553 2.775 0.023 1.00 0.00 O ATOM 690 CB ALA A 46 14.585 1.861 -2.287 1.00 0.00 C ATOM 0 H ALA A 46 15.992 0.533 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 46 16.153 3.196 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.929 2.667 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.149 1.483 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.986 1.056 -1.863 1.00 0.00 H new ATOM 696 N PRO A 47 15.459 3.518 0.903 1.00 0.00 N ATOM 697 CA PRO A 47 14.838 4.077 2.117 1.00 0.00 C ATOM 698 C PRO A 47 13.849 5.186 1.747 1.00 0.00 C ATOM 699 O PRO A 47 13.811 5.650 0.624 1.00 0.00 O ATOM 700 CB PRO A 47 16.007 4.651 2.929 1.00 0.00 C ATOM 701 CG PRO A 47 17.305 4.422 2.113 1.00 0.00 C ATOM 702 CD PRO A 47 16.921 3.683 0.821 1.00 0.00 C ATOM 0 HA PRO A 47 14.278 3.327 2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.856 5.714 3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.075 4.161 3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 47 17.784 5.373 1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.021 3.837 2.690 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.206 4.255 -0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.425 2.719 0.752 1.00 0.00 H new ATOM 710 N GLY A 48 13.050 5.616 2.685 1.00 0.00 N ATOM 711 CA GLY A 48 12.065 6.696 2.393 1.00 0.00 C ATOM 712 C GLY A 48 11.267 6.339 1.139 1.00 0.00 C ATOM 713 O GLY A 48 11.070 7.158 0.262 1.00 0.00 O ATOM 0 H GLY A 48 13.037 5.265 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.391 6.826 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.582 7.644 2.249 1.00 0.00 H new ATOM 717 N LYS A 49 10.803 5.123 1.044 1.00 0.00 N ATOM 718 CA LYS A 49 10.017 4.718 -0.154 1.00 0.00 C ATOM 719 C LYS A 49 8.725 4.032 0.291 1.00 0.00 C ATOM 720 O LYS A 49 8.591 3.613 1.424 1.00 0.00 O ATOM 721 CB LYS A 49 10.843 3.752 -1.006 1.00 0.00 C ATOM 722 CG LYS A 49 11.816 4.545 -1.881 1.00 0.00 C ATOM 723 CD LYS A 49 11.027 5.473 -2.810 1.00 0.00 C ATOM 724 CE LYS A 49 11.403 6.927 -2.518 1.00 0.00 C ATOM 725 NZ LYS A 49 11.967 7.552 -3.748 1.00 0.00 N ATOM 0 H LYS A 49 10.935 4.393 1.744 1.00 0.00 H new ATOM 0 HA LYS A 49 9.773 5.602 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.393 3.064 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.185 3.148 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.492 5.128 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.432 3.864 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.243 5.232 -3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.957 5.327 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.525 7.481 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.132 6.970 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.223 8.540 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.815 7.028 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.258 7.524 -4.508 1.00 0.00 H new ATOM 739 N SER A 50 7.772 3.916 -0.592 1.00 0.00 N ATOM 740 CA SER A 50 6.487 3.259 -0.223 1.00 0.00 C ATOM 741 C SER A 50 6.146 2.189 -1.262 1.00 0.00 C ATOM 742 O SER A 50 6.093 2.456 -2.443 1.00 0.00 O ATOM 743 CB SER A 50 5.373 4.307 -0.188 1.00 0.00 C ATOM 744 OG SER A 50 5.723 5.335 0.729 1.00 0.00 O ATOM 0 H SER A 50 7.828 4.248 -1.555 1.00 0.00 H new ATOM 0 HA SER A 50 6.583 2.796 0.759 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.222 4.727 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.432 3.844 0.109 1.00 0.00 H new ATOM 0 HG SER A 50 5.012 6.009 0.752 1.00 0.00 H new ATOM 750 N ILE A 51 5.910 0.982 -0.833 1.00 0.00 N ATOM 751 CA ILE A 51 5.565 -0.094 -1.804 1.00 0.00 C ATOM 752 C ILE A 51 4.046 -0.131 -1.984 1.00 0.00 C ATOM 753 O ILE A 51 3.323 -0.571 -1.113 1.00 0.00 O ATOM 754 CB ILE A 51 6.049 -1.444 -1.270 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.501 -1.316 -0.790 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.964 -2.494 -2.379 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.449 -1.294 -1.992 1.00 0.00 C ATOM 0 H ILE A 51 5.941 0.693 0.145 1.00 0.00 H new ATOM 0 HA ILE A 51 6.047 0.106 -2.761 1.00 0.00 H new ATOM 0 HB ILE A 51 5.419 -1.750 -0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.620 -0.404 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.751 -2.150 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.309 -3.455 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.931 -2.586 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.591 -2.190 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.477 -1.203 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.339 -2.218 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.206 -0.445 -2.631 1.00 0.00 H new ATOM 769 N GLY A 52 3.552 0.331 -3.102 1.00 0.00 N ATOM 770 CA GLY A 52 2.076 0.321 -3.316 1.00 0.00 C ATOM 771 C GLY A 52 1.767 0.369 -4.812 1.00 0.00 C ATOM 772 O GLY A 52 2.636 0.597 -5.631 1.00 0.00 O ATOM 0 H GLY A 52 4.103 0.712 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.642 -0.576 -2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.621 1.175 -2.814 1.00 0.00 H new ATOM 776 N GLY A 53 0.531 0.160 -5.174 1.00 0.00 N ATOM 777 CA GLY A 53 0.159 0.197 -6.619 1.00 0.00 C ATOM 778 C GLY A 53 -0.041 -1.229 -7.138 1.00 0.00 C ATOM 779 O GLY A 53 -0.508 -1.438 -8.240 1.00 0.00 O ATOM 0 H GLY A 53 -0.238 -0.035 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.755 0.775 -6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.940 0.697 -7.193 1.00 0.00 H new ATOM 783 N ASP A 54 0.310 -2.211 -6.354 1.00 0.00 N ATOM 784 CA ASP A 54 0.138 -3.621 -6.806 1.00 0.00 C ATOM 785 C ASP A 54 -1.279 -4.094 -6.476 1.00 0.00 C ATOM 786 O ASP A 54 -1.849 -3.717 -5.472 1.00 0.00 O ATOM 787 CB ASP A 54 1.155 -4.512 -6.088 1.00 0.00 C ATOM 788 CG ASP A 54 0.784 -4.620 -4.607 1.00 0.00 C ATOM 789 OD1 ASP A 54 -0.142 -5.353 -4.301 1.00 0.00 O ATOM 790 OD2 ASP A 54 1.431 -3.967 -3.806 1.00 0.00 O ATOM 0 H ASP A 54 0.708 -2.099 -5.422 1.00 0.00 H new ATOM 0 HA ASP A 54 0.298 -3.681 -7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.172 -5.502 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.157 -4.096 -6.193 1.00 0.00 H new ATOM 795 N ILE A 55 -1.854 -4.916 -7.310 1.00 0.00 N ATOM 796 CA ILE A 55 -3.236 -5.407 -7.037 1.00 0.00 C ATOM 797 C ILE A 55 -3.316 -5.929 -5.601 1.00 0.00 C ATOM 798 O ILE A 55 -2.313 -6.211 -4.978 1.00 0.00 O ATOM 799 CB ILE A 55 -3.579 -6.537 -8.011 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.565 -5.999 -9.443 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.971 -7.083 -7.687 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.695 -4.982 -9.618 1.00 0.00 C ATOM 0 H ILE A 55 -1.428 -5.269 -8.167 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.945 -4.589 -7.167 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.843 -7.335 -7.915 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.604 -5.531 -9.658 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.686 -6.818 -10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.217 -7.888 -8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.983 -7.466 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.707 -6.284 -7.783 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.685 -4.599 -10.638 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.652 -5.464 -9.421 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.554 -4.157 -8.919 1.00 0.00 H new ATOM 814 N PHE A 56 -4.502 -6.060 -5.072 1.00 0.00 N ATOM 815 CA PHE A 56 -4.641 -6.563 -3.677 1.00 0.00 C ATOM 816 C PHE A 56 -5.041 -8.042 -3.707 1.00 0.00 C ATOM 817 O PHE A 56 -5.804 -8.472 -4.550 1.00 0.00 O ATOM 818 CB PHE A 56 -5.716 -5.750 -2.941 1.00 0.00 C ATOM 819 CG PHE A 56 -6.137 -6.478 -1.686 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.184 -6.806 -0.714 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.478 -6.828 -1.497 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.573 -7.482 0.447 1.00 0.00 C ATOM 823 CE2 PHE A 56 -7.868 -7.506 -0.336 1.00 0.00 C ATOM 824 CZ PHE A 56 -6.916 -7.832 0.637 1.00 0.00 C ATOM 0 H PHE A 56 -5.379 -5.841 -5.545 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.690 -6.456 -3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.329 -4.763 -2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.578 -5.597 -3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.148 -6.537 -0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.213 -6.575 -2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.838 -7.734 1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.903 -7.777 -0.191 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.217 -8.353 1.534 1.00 0.00 H new ATOM 834 N SER A 57 -4.532 -8.819 -2.790 1.00 0.00 N ATOM 835 CA SER A 57 -4.879 -10.267 -2.757 1.00 0.00 C ATOM 836 C SER A 57 -6.392 -10.430 -2.671 1.00 0.00 C ATOM 837 O SER A 57 -7.073 -10.589 -3.666 1.00 0.00 O ATOM 838 CB SER A 57 -4.229 -10.918 -1.536 1.00 0.00 C ATOM 839 OG SER A 57 -4.996 -12.048 -1.142 1.00 0.00 O ATOM 0 H SER A 57 -3.889 -8.512 -2.060 1.00 0.00 H new ATOM 0 HA SER A 57 -4.514 -10.746 -3.665 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.209 -11.221 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.168 -10.202 -0.717 1.00 0.00 H new ATOM 0 HG SER A 57 -4.581 -12.469 -0.360 1.00 0.00 H new ATOM 845 N ASN A 58 -6.913 -10.395 -1.482 1.00 0.00 N ATOM 846 CA ASN A 58 -8.385 -10.548 -1.291 1.00 0.00 C ATOM 847 C ASN A 58 -8.754 -12.032 -1.346 1.00 0.00 C ATOM 848 O ASN A 58 -9.672 -12.428 -2.037 1.00 0.00 O ATOM 849 CB ASN A 58 -9.131 -9.790 -2.391 1.00 0.00 C ATOM 850 CG ASN A 58 -10.574 -9.538 -1.948 1.00 0.00 C ATOM 851 OD1 ASN A 58 -10.917 -8.350 -1.531 1.00 0.00 O flip ATOM 852 ND2 ASN A 58 -11.396 -10.431 -1.981 1.00 0.00 N flip ATOM 0 H ASN A 58 -6.380 -10.266 -0.622 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.668 -10.139 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.632 -8.843 -2.598 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -9.119 -10.365 -3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.128 -11.359 -2.307 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.355 -10.253 -1.683 1.00 0.00 H new ATOM 859 N ARG A 59 -8.046 -12.855 -0.621 1.00 0.00 N ATOM 860 CA ARG A 59 -8.354 -14.312 -0.630 1.00 0.00 C ATOM 861 C ARG A 59 -9.710 -14.550 0.041 1.00 0.00 C ATOM 862 O ARG A 59 -10.673 -14.922 -0.599 1.00 0.00 O ATOM 863 CB ARG A 59 -7.266 -15.065 0.138 1.00 0.00 C ATOM 864 CG ARG A 59 -6.702 -16.184 -0.741 1.00 0.00 C ATOM 865 CD ARG A 59 -5.317 -16.586 -0.230 1.00 0.00 C ATOM 866 NE ARG A 59 -4.592 -17.334 -1.295 1.00 0.00 N ATOM 867 CZ ARG A 59 -3.302 -17.515 -1.203 1.00 0.00 C ATOM 868 NH1 ARG A 59 -2.504 -16.487 -1.107 1.00 0.00 N ATOM 869 NH2 ARG A 59 -2.810 -18.724 -1.207 1.00 0.00 N ATOM 0 H ARG A 59 -7.267 -12.580 -0.023 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.389 -14.672 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.470 -14.379 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.677 -15.482 1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.371 -17.045 -0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.636 -15.849 -1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.751 -15.699 0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.412 -17.204 0.663 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.103 -17.705 -2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.888 -15.542 -1.104 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.496 -16.628 -1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.433 -19.528 -1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.802 -18.865 -1.135 1.00 0.00 H new ATOM 883 N GLU A 60 -9.792 -14.337 1.326 1.00 0.00 N ATOM 884 CA GLU A 60 -11.086 -14.551 2.034 1.00 0.00 C ATOM 885 C GLU A 60 -12.147 -13.618 1.450 1.00 0.00 C ATOM 886 O GLU A 60 -13.275 -14.010 1.223 1.00 0.00 O ATOM 887 CB GLU A 60 -10.908 -14.251 3.524 1.00 0.00 C ATOM 888 CG GLU A 60 -9.914 -15.244 4.129 1.00 0.00 C ATOM 889 CD GLU A 60 -10.583 -16.612 4.275 1.00 0.00 C ATOM 890 OE1 GLU A 60 -11.778 -16.642 4.517 1.00 0.00 O ATOM 891 OE2 GLU A 60 -9.889 -17.607 4.138 1.00 0.00 O ATOM 0 H GLU A 60 -9.020 -14.025 1.915 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.403 -15.586 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.548 -13.231 3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.867 -14.322 4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.032 -15.325 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.574 -14.888 5.102 1.00 0.00 H new ATOM 898 N GLY A 61 -11.797 -12.385 1.205 1.00 0.00 N ATOM 899 CA GLY A 61 -12.787 -11.429 0.636 1.00 0.00 C ATOM 900 C GLY A 61 -13.309 -10.516 1.746 1.00 0.00 C ATOM 901 O GLY A 61 -14.479 -10.527 2.074 1.00 0.00 O ATOM 0 H GLY A 61 -10.868 -11.999 1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.323 -10.834 -0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.614 -11.973 0.179 1.00 0.00 H new ATOM 905 N LYS A 62 -12.450 -9.724 2.328 1.00 0.00 N ATOM 906 CA LYS A 62 -12.899 -8.811 3.416 1.00 0.00 C ATOM 907 C LYS A 62 -13.153 -7.416 2.844 1.00 0.00 C ATOM 908 O LYS A 62 -13.638 -6.534 3.524 1.00 0.00 O ATOM 909 CB LYS A 62 -11.816 -8.730 4.492 1.00 0.00 C ATOM 910 CG LYS A 62 -12.209 -9.611 5.679 1.00 0.00 C ATOM 911 CD LYS A 62 -11.049 -10.549 6.024 1.00 0.00 C ATOM 912 CE LYS A 62 -11.337 -11.247 7.354 1.00 0.00 C ATOM 913 NZ LYS A 62 -10.691 -12.590 7.360 1.00 0.00 N ATOM 0 H LYS A 62 -11.458 -9.670 2.097 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.820 -9.196 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.859 -9.056 4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.689 -7.698 4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.457 -8.990 6.540 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.100 -10.191 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.918 -11.288 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.119 -9.985 6.091 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.959 -10.646 8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.413 -11.348 7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.886 -13.065 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.071 -13.162 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.664 -12.482 7.241 1.00 0.00 H new ATOM 927 N LEU A 63 -12.833 -7.210 1.598 1.00 0.00 N ATOM 928 CA LEU A 63 -13.059 -5.873 0.982 1.00 0.00 C ATOM 929 C LEU A 63 -14.336 -5.918 0.132 1.00 0.00 C ATOM 930 O LEU A 63 -14.611 -6.910 -0.512 1.00 0.00 O ATOM 931 CB LEU A 63 -11.872 -5.517 0.085 1.00 0.00 C ATOM 932 CG LEU A 63 -10.677 -5.097 0.940 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.401 -5.202 0.108 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.858 -3.649 1.396 1.00 0.00 C ATOM 0 H LEU A 63 -12.424 -7.910 0.979 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.162 -5.123 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.604 -6.373 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.147 -4.708 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.607 -5.749 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.546 -4.903 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.268 -6.231 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.477 -4.547 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.005 -3.350 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.926 -2.999 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.772 -3.564 1.984 1.00 0.00 H new ATOM 946 N PRO A 64 -15.077 -4.837 0.152 1.00 0.00 N ATOM 947 CA PRO A 64 -16.329 -4.733 -0.618 1.00 0.00 C ATOM 948 C PRO A 64 -16.035 -4.838 -2.117 1.00 0.00 C ATOM 949 O PRO A 64 -15.493 -3.930 -2.717 1.00 0.00 O ATOM 950 CB PRO A 64 -16.887 -3.346 -0.275 1.00 0.00 C ATOM 951 CG PRO A 64 -15.881 -2.656 0.681 1.00 0.00 C ATOM 952 CD PRO A 64 -14.731 -3.642 0.941 1.00 0.00 C ATOM 0 HA PRO A 64 -17.034 -5.528 -0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.022 -2.754 -1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.865 -3.434 0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.502 -1.735 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.369 -2.382 1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.774 -3.225 0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.645 -3.879 2.001 1.00 0.00 H new ATOM 960 N GLY A 65 -16.386 -5.937 -2.726 1.00 0.00 N ATOM 961 CA GLY A 65 -16.124 -6.096 -4.184 1.00 0.00 C ATOM 962 C GLY A 65 -17.157 -7.048 -4.789 1.00 0.00 C ATOM 963 O GLY A 65 -17.775 -7.831 -4.094 1.00 0.00 O ATOM 0 H GLY A 65 -16.843 -6.731 -2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.173 -5.127 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.118 -6.485 -4.343 1.00 0.00 H new ATOM 967 N LYS A 66 -17.350 -6.989 -6.078 1.00 0.00 N ATOM 968 CA LYS A 66 -18.342 -7.891 -6.724 1.00 0.00 C ATOM 969 C LYS A 66 -17.609 -8.930 -7.575 1.00 0.00 C ATOM 970 O LYS A 66 -16.402 -8.899 -7.707 1.00 0.00 O ATOM 971 CB LYS A 66 -19.276 -7.070 -7.614 1.00 0.00 C ATOM 972 CG LYS A 66 -20.319 -6.364 -6.747 1.00 0.00 C ATOM 973 CD LYS A 66 -20.092 -4.852 -6.801 1.00 0.00 C ATOM 974 CE LYS A 66 -21.432 -4.141 -6.992 1.00 0.00 C ATOM 975 NZ LYS A 66 -21.465 -2.910 -6.153 1.00 0.00 N ATOM 0 H LYS A 66 -16.863 -6.355 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 66 -18.926 -8.397 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.703 -6.337 -8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -19.769 -7.719 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -21.322 -6.604 -7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -20.250 -6.716 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.616 -4.512 -5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.417 -4.604 -7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.572 -3.883 -8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -22.251 -4.805 -6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.376 -2.426 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.350 -3.169 -5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.692 -2.275 -6.438 1.00 0.00 H new ATOM 989 N SER A 67 -18.331 -9.849 -8.156 1.00 0.00 N ATOM 990 CA SER A 67 -17.676 -10.888 -8.998 1.00 0.00 C ATOM 991 C SER A 67 -17.150 -10.246 -10.284 1.00 0.00 C ATOM 992 O SER A 67 -17.907 -9.892 -11.166 1.00 0.00 O ATOM 993 CB SER A 67 -18.693 -11.974 -9.350 1.00 0.00 C ATOM 994 OG SER A 67 -20.004 -11.427 -9.286 1.00 0.00 O ATOM 0 H SER A 67 -19.346 -9.925 -8.084 1.00 0.00 H new ATOM 0 HA SER A 67 -16.846 -11.331 -8.448 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.497 -12.362 -10.349 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.602 -12.812 -8.659 1.00 0.00 H new ATOM 0 HG SER A 67 -20.659 -12.120 -9.513 1.00 0.00 H new ATOM 1000 N GLY A 68 -15.859 -10.094 -10.397 1.00 0.00 N ATOM 1001 CA GLY A 68 -15.287 -9.475 -11.626 1.00 0.00 C ATOM 1002 C GLY A 68 -14.636 -8.138 -11.269 1.00 0.00 C ATOM 1003 O GLY A 68 -14.305 -7.347 -12.130 1.00 0.00 O ATOM 0 H GLY A 68 -15.176 -10.371 -9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.550 -10.142 -12.073 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.071 -9.323 -12.368 1.00 0.00 H new ATOM 1007 N ARG A 69 -14.450 -7.877 -10.004 1.00 0.00 N ATOM 1008 CA ARG A 69 -13.821 -6.591 -9.593 1.00 0.00 C ATOM 1009 C ARG A 69 -12.465 -6.868 -8.941 1.00 0.00 C ATOM 1010 O ARG A 69 -12.296 -7.835 -8.223 1.00 0.00 O ATOM 1011 CB ARG A 69 -14.729 -5.875 -8.590 1.00 0.00 C ATOM 1012 CG ARG A 69 -14.050 -4.587 -8.118 1.00 0.00 C ATOM 1013 CD ARG A 69 -14.616 -4.179 -6.757 1.00 0.00 C ATOM 1014 NE ARG A 69 -15.410 -2.926 -6.904 1.00 0.00 N ATOM 1015 CZ ARG A 69 -16.225 -2.557 -5.955 1.00 0.00 C ATOM 1016 NH1 ARG A 69 -17.402 -3.113 -5.853 1.00 0.00 N ATOM 1017 NH2 ARG A 69 -15.866 -1.631 -5.109 1.00 0.00 N ATOM 0 H ARG A 69 -14.707 -8.499 -9.238 1.00 0.00 H new ATOM 0 HA ARG A 69 -13.680 -5.962 -10.472 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.689 -5.645 -9.052 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.933 -6.525 -7.739 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.973 -4.737 -8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -14.212 -3.791 -8.844 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.244 -4.976 -6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.805 -4.027 -6.045 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.316 -2.358 -7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -17.684 -3.836 -6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -18.040 -2.825 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.947 -1.195 -5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.504 -1.343 -4.367 1.00 0.00 H new ATOM 1031 N THR A 70 -11.497 -6.028 -9.184 1.00 0.00 N ATOM 1032 CA THR A 70 -10.153 -6.242 -8.577 1.00 0.00 C ATOM 1033 C THR A 70 -9.858 -5.117 -7.584 1.00 0.00 C ATOM 1034 O THR A 70 -10.342 -4.011 -7.724 1.00 0.00 O ATOM 1035 CB THR A 70 -9.091 -6.241 -9.680 1.00 0.00 C ATOM 1036 OG1 THR A 70 -9.627 -6.842 -10.851 1.00 0.00 O ATOM 1037 CG2 THR A 70 -7.867 -7.031 -9.213 1.00 0.00 C ATOM 0 H THR A 70 -11.579 -5.202 -9.777 1.00 0.00 H new ATOM 0 HA THR A 70 -10.136 -7.200 -8.056 1.00 0.00 H new ATOM 0 HB THR A 70 -8.796 -5.215 -9.900 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.949 -6.841 -11.559 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.112 -7.030 -9.999 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.457 -6.569 -8.315 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.159 -8.058 -8.992 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.070 -5.387 -6.580 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.750 -4.327 -5.581 1.00 0.00 C ATOM 1047 C TRP A 71 -7.297 -3.887 -5.746 1.00 0.00 C ATOM 1048 O TRP A 71 -6.540 -4.467 -6.497 1.00 0.00 O ATOM 1049 CB TRP A 71 -8.943 -4.880 -4.165 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.321 -4.564 -3.690 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.438 -5.216 -4.073 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -10.746 -3.537 -2.750 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.526 -4.655 -3.430 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.151 -3.616 -2.604 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.057 -2.553 -2.018 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -12.848 -2.750 -1.760 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -10.756 -1.680 -1.167 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.148 -1.780 -1.039 1.00 0.00 C ATOM 0 H TRP A 71 -8.635 -6.293 -6.408 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.413 -3.477 -5.740 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.784 -5.958 -4.160 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.206 -4.445 -3.490 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.476 -6.041 -4.768 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.488 -4.971 -3.552 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.984 -2.468 -2.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -13.921 -2.829 -1.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.218 -0.928 -0.609 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.680 -1.107 -0.383 1.00 0.00 H new ATOM 1069 N ARG A 72 -6.903 -2.871 -5.034 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.500 -2.390 -5.124 1.00 0.00 C ATOM 1071 C ARG A 72 -4.955 -2.236 -3.704 1.00 0.00 C ATOM 1072 O ARG A 72 -5.697 -1.982 -2.777 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.461 -1.041 -5.841 1.00 0.00 C ATOM 1074 CG ARG A 72 -5.868 -1.225 -7.303 1.00 0.00 C ATOM 1075 CD ARG A 72 -6.515 0.062 -7.818 1.00 0.00 C ATOM 1076 NE ARG A 72 -6.473 0.081 -9.307 1.00 0.00 N ATOM 1077 CZ ARG A 72 -7.217 0.922 -9.971 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -8.505 0.724 -10.063 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -6.674 1.961 -10.543 1.00 0.00 N ATOM 0 H ARG A 72 -7.497 -2.350 -4.389 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.894 -3.101 -5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.135 -0.338 -5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.459 -0.616 -5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.995 -1.472 -7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.565 -2.058 -7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.547 0.126 -7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.991 0.930 -7.418 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.862 -0.564 -9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.929 -0.088 -9.616 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.086 1.382 -10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.668 2.115 -10.471 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.255 2.619 -11.062 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.678 -2.400 -3.515 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.125 -2.273 -2.140 1.00 0.00 C ATOM 1095 C GLU A 73 -1.942 -1.303 -2.128 1.00 0.00 C ATOM 1096 O GLU A 73 -1.281 -1.092 -3.127 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.667 -3.647 -1.646 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.466 -4.115 -2.470 1.00 0.00 C ATOM 1099 CD GLU A 73 -0.854 -5.355 -1.814 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -1.580 -6.063 -1.138 1.00 0.00 O ATOM 1101 OE2 GLU A 73 0.332 -5.576 -2.001 1.00 0.00 O ATOM 0 H GLU A 73 -2.998 -2.614 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.902 -1.886 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.398 -3.594 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.482 -4.366 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.777 -4.345 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.723 -3.320 -2.535 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.672 -0.715 -0.994 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.532 0.238 -0.892 1.00 0.00 C ATOM 1110 C ALA A 74 0.077 0.142 0.508 1.00 0.00 C ATOM 1111 O ALA A 74 -0.608 -0.127 1.475 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.030 1.664 -1.134 1.00 0.00 C ATOM 0 H ALA A 74 -2.195 -0.855 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 74 0.221 -0.011 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.194 2.359 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.470 1.732 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.782 1.919 -0.387 1.00 0.00 H new ATOM 1118 N ASP A 75 1.358 0.355 0.623 1.00 0.00 N ATOM 1119 CA ASP A 75 2.008 0.271 1.961 1.00 0.00 C ATOM 1120 C ASP A 75 1.537 1.435 2.834 1.00 0.00 C ATOM 1121 O ASP A 75 1.236 2.506 2.347 1.00 0.00 O ATOM 1122 CB ASP A 75 3.528 0.342 1.794 1.00 0.00 C ATOM 1123 CG ASP A 75 4.161 -0.939 2.339 1.00 0.00 C ATOM 1124 OD1 ASP A 75 4.024 -1.187 3.526 1.00 0.00 O ATOM 1125 OD2 ASP A 75 4.773 -1.653 1.561 1.00 0.00 O ATOM 0 H ASP A 75 1.983 0.583 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 75 1.737 -0.671 2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.784 0.467 0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.923 1.209 2.323 1.00 0.00 H new ATOM 1130 N ILE A 76 1.472 1.234 4.121 1.00 0.00 N ATOM 1131 CA ILE A 76 1.021 2.329 5.024 1.00 0.00 C ATOM 1132 C ILE A 76 1.855 2.302 6.306 1.00 0.00 C ATOM 1133 O ILE A 76 2.239 1.255 6.785 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.456 2.133 5.367 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.305 2.352 4.113 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.871 3.140 6.441 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.190 3.812 3.666 1.00 0.00 C ATOM 0 H ILE A 76 1.712 0.359 4.586 1.00 0.00 H new ATOM 0 HA ILE A 76 1.150 3.290 4.526 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.608 1.120 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.971 1.689 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.346 2.105 4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.924 2.999 6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.268 2.987 7.336 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.717 4.153 6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.795 3.968 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.545 4.466 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.148 4.043 3.444 1.00 0.00 H new ATOM 1149 N ASN A 77 2.139 3.447 6.864 1.00 0.00 N ATOM 1150 CA ASN A 77 2.951 3.486 8.113 1.00 0.00 C ATOM 1151 C ASN A 77 4.331 2.879 7.844 1.00 0.00 C ATOM 1152 O ASN A 77 4.874 2.162 8.661 1.00 0.00 O ATOM 1153 CB ASN A 77 2.244 2.681 9.205 1.00 0.00 C ATOM 1154 CG ASN A 77 1.000 3.438 9.673 1.00 0.00 C ATOM 1155 OD1 ASN A 77 -0.161 2.844 9.640 1.00 0.00 O flip ATOM 1156 ND2 ASN A 77 1.086 4.583 10.071 1.00 0.00 N flip ATOM 0 H ASN A 77 1.844 4.357 6.509 1.00 0.00 H new ATOM 0 HA ASN A 77 3.066 4.519 8.440 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.963 1.699 8.824 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.919 2.516 10.044 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.994 5.047 10.097 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.250 5.080 10.379 1.00 0.00 H new ATOM 1163 N TYR A 78 4.900 3.161 6.704 1.00 0.00 N ATOM 1164 CA TYR A 78 6.237 2.602 6.380 1.00 0.00 C ATOM 1165 C TYR A 78 7.296 3.255 7.271 1.00 0.00 C ATOM 1166 O TYR A 78 7.384 4.464 7.363 1.00 0.00 O ATOM 1167 CB TYR A 78 6.562 2.881 4.910 1.00 0.00 C ATOM 1168 CG TYR A 78 8.020 2.581 4.648 1.00 0.00 C ATOM 1169 CD1 TYR A 78 8.449 1.256 4.501 1.00 0.00 C ATOM 1170 CD2 TYR A 78 8.942 3.630 4.550 1.00 0.00 C ATOM 1171 CE1 TYR A 78 9.800 0.981 4.258 1.00 0.00 C ATOM 1172 CE2 TYR A 78 10.293 3.354 4.306 1.00 0.00 C ATOM 1173 CZ TYR A 78 10.721 2.030 4.160 1.00 0.00 C ATOM 1174 OH TYR A 78 12.053 1.757 3.921 1.00 0.00 O ATOM 0 H TYR A 78 4.493 3.757 5.983 1.00 0.00 H new ATOM 0 HA TYR A 78 6.233 1.526 6.554 1.00 0.00 H new ATOM 0 HB2 TYR A 78 5.932 2.268 4.265 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.346 3.922 4.670 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.738 0.447 4.575 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.611 4.652 4.663 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.131 -0.041 4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.004 4.163 4.231 1.00 0.00 H new ATOM 0 HH TYR A 78 12.557 2.597 3.881 1.00 0.00 H new ATOM 1184 N THR A 79 8.102 2.467 7.927 1.00 0.00 N ATOM 1185 CA THR A 79 9.153 3.044 8.810 1.00 0.00 C ATOM 1186 C THR A 79 10.500 2.417 8.471 1.00 0.00 C ATOM 1187 O THR A 79 11.315 2.991 7.776 1.00 0.00 O ATOM 1188 CB THR A 79 8.807 2.755 10.272 1.00 0.00 C ATOM 1189 OG1 THR A 79 7.960 1.615 10.339 1.00 0.00 O ATOM 1190 CG2 THR A 79 8.090 3.963 10.875 1.00 0.00 C ATOM 0 H THR A 79 8.078 1.448 7.889 1.00 0.00 H new ATOM 0 HA THR A 79 9.205 4.122 8.657 1.00 0.00 H new ATOM 0 HB THR A 79 9.722 2.562 10.833 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.738 1.427 11.275 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.843 3.757 11.917 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.740 4.836 10.822 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.174 4.158 10.317 1.00 0.00 H new ATOM 1198 N SER A 80 10.734 1.243 8.963 1.00 0.00 N ATOM 1199 CA SER A 80 12.024 0.553 8.685 1.00 0.00 C ATOM 1200 C SER A 80 11.964 -0.878 9.224 1.00 0.00 C ATOM 1201 O SER A 80 10.954 -1.314 9.743 1.00 0.00 O ATOM 1202 CB SER A 80 13.166 1.317 9.364 1.00 0.00 C ATOM 1203 OG SER A 80 14.023 0.399 10.032 1.00 0.00 O ATOM 0 H SER A 80 10.084 0.722 9.552 1.00 0.00 H new ATOM 0 HA SER A 80 12.200 0.524 7.610 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.730 1.883 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.763 2.037 10.076 1.00 0.00 H new ATOM 0 HG SER A 80 14.754 0.889 10.464 1.00 0.00 H new ATOM 1209 N GLY A 81 13.034 -1.614 9.104 1.00 0.00 N ATOM 1210 CA GLY A 81 13.037 -3.017 9.608 1.00 0.00 C ATOM 1211 C GLY A 81 12.088 -3.865 8.762 1.00 0.00 C ATOM 1212 O GLY A 81 10.979 -4.160 9.162 1.00 0.00 O ATOM 0 H GLY A 81 13.908 -1.305 8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.046 -3.428 9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.728 -3.040 10.653 1.00 0.00 H new ATOM 1216 N PHE A 82 12.513 -4.261 7.593 1.00 0.00 N ATOM 1217 CA PHE A 82 11.634 -5.089 6.722 1.00 0.00 C ATOM 1218 C PHE A 82 10.318 -4.348 6.481 1.00 0.00 C ATOM 1219 O PHE A 82 9.988 -3.409 7.177 1.00 0.00 O ATOM 1220 CB PHE A 82 11.345 -6.425 7.411 1.00 0.00 C ATOM 1221 CG PHE A 82 12.104 -7.527 6.711 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.499 -7.584 6.803 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.411 -8.493 5.972 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.203 -8.606 6.155 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.114 -9.515 5.323 1.00 0.00 C ATOM 1226 CZ PHE A 82 13.510 -9.572 5.416 1.00 0.00 C ATOM 0 H PHE A 82 13.431 -4.046 7.204 1.00 0.00 H new ATOM 0 HA PHE A 82 12.132 -5.271 5.770 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.638 -6.376 8.460 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.276 -6.634 7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.033 -6.839 7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.334 -8.450 5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.280 -8.649 6.225 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.580 -10.259 4.751 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.052 -10.362 4.917 1.00 0.00 H new ATOM 1236 N ARG A 83 9.562 -4.762 5.501 1.00 0.00 N ATOM 1237 CA ARG A 83 8.270 -4.079 5.222 1.00 0.00 C ATOM 1238 C ARG A 83 7.442 -4.017 6.507 1.00 0.00 C ATOM 1239 O ARG A 83 7.793 -4.606 7.510 1.00 0.00 O ATOM 1240 CB ARG A 83 7.505 -4.862 4.155 1.00 0.00 C ATOM 1241 CG ARG A 83 8.480 -5.337 3.075 1.00 0.00 C ATOM 1242 CD ARG A 83 7.955 -4.926 1.702 1.00 0.00 C ATOM 1243 NE ARG A 83 6.623 -5.554 1.477 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.395 -6.776 1.879 1.00 0.00 C ATOM 1245 NH1 ARG A 83 6.883 -7.784 1.208 1.00 0.00 N ATOM 1246 NH2 ARG A 83 5.678 -6.989 2.948 1.00 0.00 N ATOM 0 H ARG A 83 9.784 -5.543 4.883 1.00 0.00 H new ATOM 0 HA ARG A 83 8.458 -3.067 4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.001 -5.717 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.732 -4.234 3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.466 -4.904 3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.594 -6.420 3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.873 -3.841 1.641 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.653 -5.237 0.925 1.00 0.00 H new ATOM 0 HE ARG A 83 5.886 -5.028 1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.442 -7.617 0.371 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.706 -8.739 1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.295 -6.201 3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.500 -7.943 3.261 1.00 0.00 H new ATOM 1260 N ASN A 84 6.346 -3.310 6.487 1.00 0.00 N ATOM 1261 CA ASN A 84 5.502 -3.215 7.711 1.00 0.00 C ATOM 1262 C ASN A 84 4.271 -4.109 7.556 1.00 0.00 C ATOM 1263 O ASN A 84 4.160 -4.875 6.619 1.00 0.00 O ATOM 1264 CB ASN A 84 5.054 -1.766 7.915 1.00 0.00 C ATOM 1265 CG ASN A 84 4.777 -1.118 6.558 1.00 0.00 C ATOM 1266 OD1 ASN A 84 5.756 -0.556 5.904 1.00 0.00 O flip ATOM 1267 ND2 ASN A 84 3.656 -1.123 6.087 1.00 0.00 N flip ATOM 0 H ASN A 84 5.999 -2.795 5.678 1.00 0.00 H new ATOM 0 HA ASN A 84 6.083 -3.541 8.574 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.157 -1.736 8.533 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.825 -1.208 8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.890 -1.562 6.598 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.482 -0.688 5.181 1.00 0.00 H new ATOM 1274 N SER A 85 3.344 -4.017 8.468 1.00 0.00 N ATOM 1275 CA SER A 85 2.118 -4.859 8.377 1.00 0.00 C ATOM 1276 C SER A 85 0.903 -3.963 8.124 1.00 0.00 C ATOM 1277 O SER A 85 -0.200 -4.436 7.926 1.00 0.00 O ATOM 1278 CB SER A 85 1.925 -5.622 9.687 1.00 0.00 C ATOM 1279 OG SER A 85 3.058 -5.419 10.520 1.00 0.00 O ATOM 0 H SER A 85 3.382 -3.394 9.274 1.00 0.00 H new ATOM 0 HA SER A 85 2.224 -5.569 7.556 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.022 -5.278 10.192 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.793 -6.685 9.486 1.00 0.00 H new ATOM 0 HG SER A 85 2.937 -5.906 11.362 1.00 0.00 H new ATOM 1285 N ASP A 86 1.096 -2.672 8.130 1.00 0.00 N ATOM 1286 CA ASP A 86 -0.045 -1.747 7.890 1.00 0.00 C ATOM 1287 C ASP A 86 -0.106 -1.388 6.405 1.00 0.00 C ATOM 1288 O ASP A 86 0.875 -0.988 5.810 1.00 0.00 O ATOM 1289 CB ASP A 86 0.148 -0.473 8.714 1.00 0.00 C ATOM 1290 CG ASP A 86 0.256 -0.835 10.197 1.00 0.00 C ATOM 1291 OD1 ASP A 86 -0.319 -1.838 10.584 1.00 0.00 O ATOM 1292 OD2 ASP A 86 0.911 -0.102 10.919 1.00 0.00 O ATOM 0 H ASP A 86 1.996 -2.219 8.291 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.975 -2.233 8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.048 0.049 8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.690 0.206 8.555 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.254 -1.524 5.803 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.387 -1.190 4.358 1.00 0.00 C ATOM 1299 C ARG A 87 -2.829 -0.779 4.068 1.00 0.00 C ATOM 1300 O ARG A 87 -3.751 -1.223 4.719 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.029 -2.414 3.511 1.00 0.00 C ATOM 1302 CG ARG A 87 0.463 -2.720 3.652 1.00 0.00 C ATOM 1303 CD ARG A 87 0.986 -3.311 2.342 1.00 0.00 C ATOM 1304 NE ARG A 87 2.029 -4.333 2.637 1.00 0.00 N ATOM 1305 CZ ARG A 87 2.402 -5.170 1.708 1.00 0.00 C ATOM 1306 NH1 ARG A 87 2.594 -4.747 0.489 1.00 0.00 N ATOM 1307 NH2 ARG A 87 2.582 -6.429 1.998 1.00 0.00 N ATOM 0 H ARG A 87 -2.109 -1.853 6.251 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.712 -0.370 4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.618 -3.274 3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.275 -2.229 2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.011 -1.810 3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.626 -3.421 4.471 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.167 -3.763 1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.402 -2.522 1.716 1.00 0.00 H new ATOM 0 HE ARG A 87 2.451 -4.378 3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.453 -3.763 0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.886 -5.401 -0.238 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.431 -6.759 2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.874 -7.083 1.272 1.00 0.00 H new ATOM 1321 N ILE A 88 -3.034 0.064 3.095 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.422 0.493 2.772 1.00 0.00 C ATOM 1323 C ILE A 88 -4.868 -0.167 1.466 1.00 0.00 C ATOM 1324 O ILE A 88 -4.069 -0.443 0.594 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.470 2.014 2.623 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.929 2.477 2.593 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.780 2.421 1.322 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -6.048 3.837 3.286 1.00 0.00 C ATOM 0 H ILE A 88 -2.304 0.473 2.512 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.091 0.191 3.578 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.958 2.478 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.277 2.550 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.564 1.746 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.814 3.505 1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.741 2.091 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.292 1.957 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.087 4.167 3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.717 3.748 4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.425 4.566 2.767 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.139 -0.428 1.330 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.643 -1.077 0.086 1.00 0.00 C ATOM 1342 C LEU A 89 -7.624 -0.138 -0.619 1.00 0.00 C ATOM 1343 O LEU A 89 -8.602 0.290 -0.047 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.371 -2.374 0.451 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.359 -3.446 0.862 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.275 -3.563 -0.208 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.719 -3.060 2.198 1.00 0.00 C ATOM 0 H LEU A 89 -6.852 -0.219 2.029 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.803 -1.295 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.070 -2.191 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.957 -2.723 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.869 -4.404 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.555 -4.327 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.731 -3.840 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.765 -2.606 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.998 -3.824 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.210 -2.102 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.492 -2.979 2.962 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.387 0.174 -1.864 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.333 1.069 -2.587 1.00 0.00 C ATOM 1361 C TYR A 90 -9.021 0.269 -3.695 1.00 0.00 C ATOM 1362 O TYR A 90 -8.413 -0.561 -4.342 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.593 2.268 -3.192 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.138 1.931 -3.417 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.285 1.734 -2.323 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -5.640 1.824 -4.720 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -3.935 1.427 -2.534 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.290 1.519 -4.931 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.438 1.320 -3.838 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.108 1.019 -4.048 1.00 0.00 O ATOM 0 H TYR A 90 -6.587 -0.149 -2.407 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.075 1.448 -1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.057 2.551 -4.137 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.675 3.127 -2.527 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.669 1.819 -1.317 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.297 1.977 -5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.278 1.273 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.906 1.437 -5.937 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.002 0.049 -4.137 1.00 0.00 H new ATOM 1380 N SER A 91 -10.287 0.498 -3.907 1.00 0.00 N ATOM 1381 CA SER A 91 -11.015 -0.266 -4.962 1.00 0.00 C ATOM 1382 C SER A 91 -11.324 0.644 -6.154 1.00 0.00 C ATOM 1383 O SER A 91 -11.090 1.835 -6.118 1.00 0.00 O ATOM 1384 CB SER A 91 -12.322 -0.807 -4.385 1.00 0.00 C ATOM 1385 OG SER A 91 -12.884 -1.746 -5.293 1.00 0.00 O ATOM 0 H SER A 91 -10.849 1.179 -3.397 1.00 0.00 H new ATOM 0 HA SER A 91 -10.389 -1.093 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.138 -1.281 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.021 0.010 -4.210 1.00 0.00 H new ATOM 0 HG SER A 91 -12.332 -2.556 -5.309 1.00 0.00 H new ATOM 1391 N SER A 92 -11.850 0.085 -7.213 1.00 0.00 N ATOM 1392 CA SER A 92 -12.176 0.910 -8.410 1.00 0.00 C ATOM 1393 C SER A 92 -13.298 1.884 -8.066 1.00 0.00 C ATOM 1394 O SER A 92 -13.461 2.912 -8.692 1.00 0.00 O ATOM 1395 CB SER A 92 -12.622 0.000 -9.554 1.00 0.00 C ATOM 1396 OG SER A 92 -13.630 -0.886 -9.085 1.00 0.00 O ATOM 0 H SER A 92 -12.067 -0.908 -7.299 1.00 0.00 H new ATOM 0 HA SER A 92 -11.292 1.468 -8.717 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.004 0.598 -10.382 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.773 -0.567 -9.935 1.00 0.00 H new ATOM 0 HG SER A 92 -13.919 -1.470 -9.817 1.00 0.00 H new ATOM 1402 N ASP A 93 -14.065 1.571 -7.066 1.00 0.00 N ATOM 1403 CA ASP A 93 -15.170 2.472 -6.666 1.00 0.00 C ATOM 1404 C ASP A 93 -14.644 3.473 -5.636 1.00 0.00 C ATOM 1405 O ASP A 93 -15.398 4.137 -4.953 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.314 1.654 -6.063 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.909 1.147 -4.679 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.735 1.231 -4.358 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.781 0.682 -3.965 1.00 0.00 O ATOM 0 H ASP A 93 -13.972 0.724 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.545 3.007 -7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.212 2.267 -5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.555 0.813 -6.713 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.348 3.585 -5.534 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.740 4.539 -4.568 1.00 0.00 C ATOM 1416 C TRP A 94 -13.016 4.094 -3.132 1.00 0.00 C ATOM 1417 O TRP A 94 -13.117 4.902 -2.230 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.303 5.941 -4.800 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.354 6.695 -5.671 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.708 7.475 -6.718 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -10.899 6.743 -5.597 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.561 8.002 -7.289 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.422 7.579 -6.633 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -9.957 6.149 -4.736 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.058 7.815 -6.810 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.585 6.385 -4.913 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.136 7.216 -5.948 1.00 0.00 C ATOM 0 H TRP A 94 -12.678 3.049 -6.086 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.661 4.556 -4.724 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.284 5.882 -5.271 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.437 6.458 -3.849 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.718 7.657 -7.054 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.558 8.626 -8.096 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.292 5.508 -3.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.717 8.457 -7.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.871 5.923 -4.247 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.079 7.393 -6.079 1.00 0.00 H new ATOM 1438 N LEU A 95 -13.109 2.813 -2.906 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.347 2.321 -1.522 1.00 0.00 C ATOM 1440 C LEU A 95 -11.989 2.164 -0.837 1.00 0.00 C ATOM 1441 O LEU A 95 -11.107 1.499 -1.346 1.00 0.00 O ATOM 1442 CB LEU A 95 -14.060 0.969 -1.568 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.572 1.183 -1.492 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.278 -0.173 -1.426 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.909 1.991 -0.237 1.00 0.00 C ATOM 0 H LEU A 95 -13.031 2.088 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.971 3.025 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.803 0.442 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.729 0.344 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.906 1.725 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.356 -0.020 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.038 -0.752 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.944 -0.715 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.987 2.144 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.574 1.448 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.407 2.957 -0.281 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.798 2.783 0.296 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.478 2.671 0.976 1.00 0.00 C ATOM 1459 C ILE A 96 -10.629 1.997 2.341 1.00 0.00 C ATOM 1460 O ILE A 96 -11.221 2.535 3.258 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.878 4.066 1.157 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.204 4.919 -0.074 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.361 3.946 1.313 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.319 6.167 -0.091 1.00 0.00 C ATOM 0 H ILE A 96 -12.492 3.356 0.776 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.818 2.062 0.359 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.297 4.537 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.046 4.338 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.255 5.208 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.929 4.938 1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.132 3.334 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.939 3.480 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.556 6.769 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.499 6.753 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.271 5.869 -0.127 1.00 0.00 H new ATOM 1476 N TYR A 97 -10.071 0.826 2.479 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.139 0.097 3.772 1.00 0.00 C ATOM 1478 C TYR A 97 -8.725 0.012 4.346 1.00 0.00 C ATOM 1479 O TYR A 97 -7.843 -0.573 3.750 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.676 -1.316 3.533 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.185 -1.295 3.555 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.896 -0.922 2.409 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.873 -1.654 4.720 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.295 -0.907 2.427 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.273 -1.638 4.738 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.984 -1.264 3.592 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.363 -1.249 3.610 1.00 0.00 O ATOM 0 H TYR A 97 -9.565 0.339 1.740 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.800 0.617 4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.322 -1.693 2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.301 -1.993 4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.365 -0.646 1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.324 -1.943 5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.843 -0.620 1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.804 -1.914 5.637 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.682 -1.524 4.495 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.490 0.596 5.485 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.120 0.551 6.065 1.00 0.00 C ATOM 1499 C LYS A 98 -6.970 -0.692 6.944 1.00 0.00 C ATOM 1500 O LYS A 98 -7.839 -1.024 7.727 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.881 1.806 6.908 1.00 0.00 C ATOM 1502 CG LYS A 98 -8.060 2.013 7.861 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.532 2.317 9.264 1.00 0.00 C ATOM 1504 CE LYS A 98 -8.405 3.391 9.917 1.00 0.00 C ATOM 1505 NZ LYS A 98 -8.530 3.110 11.375 1.00 0.00 N ATOM 0 H LYS A 98 -9.183 1.101 6.038 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.389 0.510 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.955 1.706 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.766 2.675 6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.686 2.834 7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.686 1.121 7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.537 1.411 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.498 2.658 9.209 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.965 4.376 9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.391 3.405 9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.123 3.839 11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.968 2.177 11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.586 3.117 11.812 1.00 0.00 H new ATOM 1519 N THR A 99 -5.865 -1.377 6.822 1.00 0.00 N ATOM 1520 CA THR A 99 -5.641 -2.597 7.648 1.00 0.00 C ATOM 1521 C THR A 99 -4.347 -2.426 8.449 1.00 0.00 C ATOM 1522 O THR A 99 -3.310 -2.101 7.906 1.00 0.00 O ATOM 1523 CB THR A 99 -5.517 -3.824 6.738 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.676 -4.786 7.360 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.918 -3.416 5.390 1.00 0.00 C ATOM 0 H THR A 99 -5.105 -1.143 6.183 1.00 0.00 H new ATOM 0 HA THR A 99 -6.483 -2.738 8.326 1.00 0.00 H new ATOM 0 HB THR A 99 -6.506 -4.252 6.573 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.023 -4.995 8.253 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.833 -4.294 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.564 -2.679 4.913 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.930 -2.984 5.547 1.00 0.00 H new ATOM 1533 N THR A 100 -4.397 -2.639 9.736 1.00 0.00 N ATOM 1534 CA THR A 100 -3.168 -2.483 10.563 1.00 0.00 C ATOM 1535 C THR A 100 -2.702 -3.854 11.053 1.00 0.00 C ATOM 1536 O THR A 100 -2.135 -3.985 12.120 1.00 0.00 O ATOM 1537 CB THR A 100 -3.471 -1.588 11.768 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.854 -1.260 11.774 1.00 0.00 O ATOM 1539 CG2 THR A 100 -2.641 -0.308 11.676 1.00 0.00 C ATOM 0 H THR A 100 -5.235 -2.914 10.249 1.00 0.00 H new ATOM 0 HA THR A 100 -2.383 -2.027 9.959 1.00 0.00 H new ATOM 0 HB THR A 100 -3.218 -2.116 12.687 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.051 -0.689 12.545 1.00 0.00 H new ATOM 0 HG21 THR A 100 -2.857 0.328 12.534 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.581 -0.561 11.670 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.892 0.223 10.758 1.00 0.00 H new ATOM 1547 N ASP A 101 -2.940 -4.880 10.284 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.512 -6.246 10.705 1.00 0.00 C ATOM 1549 C ASP A 101 -2.200 -7.084 9.465 1.00 0.00 C ATOM 1550 O ASP A 101 -2.192 -8.298 9.512 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.627 -6.925 11.514 1.00 0.00 C ATOM 1552 CG ASP A 101 -4.964 -6.217 11.277 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.184 -5.766 10.165 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.744 -6.137 12.212 1.00 0.00 O ATOM 0 H ASP A 101 -3.413 -4.833 9.381 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.622 -6.164 11.329 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.707 -7.973 11.226 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.380 -6.904 12.575 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.940 -6.447 8.356 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.625 -7.208 7.115 1.00 0.00 C ATOM 1561 C HIS A 102 -2.912 -7.782 6.518 1.00 0.00 C ATOM 1562 O HIS A 102 -3.127 -8.978 6.512 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.663 -8.351 7.446 1.00 0.00 C ATOM 1564 CG HIS A 102 0.063 -8.769 6.197 1.00 0.00 C ATOM 1565 ND1 HIS A 102 -0.381 -9.811 5.399 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.201 -8.294 5.595 1.00 0.00 C ATOM 1567 CE1 HIS A 102 0.478 -9.929 4.371 1.00 0.00 C ATOM 1568 NE2 HIS A 102 1.462 -9.028 4.441 1.00 0.00 N ATOM 0 H HIS A 102 -1.932 -5.432 8.256 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.160 -6.538 6.392 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.051 -8.032 8.206 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.213 -9.196 7.860 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.803 -7.475 5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.384 -10.663 3.584 1.00 0.00 H new ATOM 0 HE2 HIS A 102 2.237 -8.904 3.790 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.767 -6.938 6.010 1.00 0.00 N ATOM 1577 CA TYR A 103 -5.037 -7.431 5.406 1.00 0.00 C ATOM 1578 C TYR A 103 -5.814 -8.264 6.430 1.00 0.00 C ATOM 1579 O TYR A 103 -6.172 -9.398 6.177 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.720 -8.293 4.182 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.559 -7.691 3.428 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.628 -6.366 2.979 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.415 -8.457 3.178 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.552 -5.808 2.281 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.338 -7.898 2.480 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.407 -6.574 2.030 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.345 -6.024 1.341 1.00 0.00 O ATOM 0 H TYR A 103 -3.641 -5.926 5.987 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.644 -6.577 5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.478 -9.309 4.493 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.594 -8.358 3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.512 -5.776 3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.363 -9.479 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.604 -4.786 1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.454 -8.488 2.289 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.078 -6.627 0.616 1.00 0.00 H new ATOM 1597 N GLN A 104 -6.088 -7.709 7.577 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.853 -8.463 8.610 1.00 0.00 C ATOM 1599 C GLN A 104 -8.122 -7.689 8.937 1.00 0.00 C ATOM 1600 O GLN A 104 -9.189 -7.965 8.425 1.00 0.00 O ATOM 1601 CB GLN A 104 -6.003 -8.612 9.874 1.00 0.00 C ATOM 1602 CG GLN A 104 -5.613 -10.081 10.056 1.00 0.00 C ATOM 1603 CD GLN A 104 -5.698 -10.452 11.538 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -5.867 -9.595 12.382 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -5.587 -11.703 11.892 1.00 0.00 N ATOM 0 H GLN A 104 -5.815 -6.763 7.845 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.107 -9.454 8.234 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -5.108 -7.994 9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.560 -8.262 10.743 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.276 -10.719 9.472 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -4.602 -10.248 9.686 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.445 -12.423 11.183 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.642 -11.961 12.877 1.00 0.00 H new ATOM 1614 N THR A 105 -8.001 -6.711 9.774 1.00 0.00 N ATOM 1615 CA THR A 105 -9.182 -5.881 10.142 1.00 0.00 C ATOM 1616 C THR A 105 -9.266 -4.701 9.174 1.00 0.00 C ATOM 1617 O THR A 105 -8.494 -3.766 9.252 1.00 0.00 O ATOM 1618 CB THR A 105 -9.022 -5.364 11.573 1.00 0.00 C ATOM 1619 OG1 THR A 105 -8.062 -4.318 11.593 1.00 0.00 O ATOM 1620 CG2 THR A 105 -8.556 -6.504 12.479 1.00 0.00 C ATOM 0 H THR A 105 -7.128 -6.443 10.228 1.00 0.00 H new ATOM 0 HA THR A 105 -10.092 -6.478 10.083 1.00 0.00 H new ATOM 0 HB THR A 105 -9.979 -4.985 11.932 1.00 0.00 H new ATOM 0 HG1 THR A 105 -7.683 -4.204 10.696 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.442 -6.135 13.498 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.294 -7.306 12.464 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.599 -6.885 12.122 1.00 0.00 H new ATOM 1628 N PHE A 106 -10.187 -4.742 8.252 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.304 -3.630 7.269 1.00 0.00 C ATOM 1630 C PHE A 106 -11.254 -2.557 7.799 1.00 0.00 C ATOM 1631 O PHE A 106 -12.382 -2.831 8.159 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.843 -4.179 5.948 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.782 -5.025 5.286 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.784 -4.421 4.513 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.798 -6.416 5.446 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.802 -5.208 3.899 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -8.817 -7.202 4.833 1.00 0.00 C ATOM 1638 CZ PHE A 106 -7.819 -6.598 4.059 1.00 0.00 C ATOM 0 H PHE A 106 -10.863 -5.497 8.137 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.321 -3.187 7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.739 -4.774 6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.132 -3.358 5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.771 -3.348 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.568 -6.882 6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.032 -4.742 3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.829 -8.275 4.957 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.062 -7.205 3.585 1.00 0.00 H new ATOM 1648 N THR A 107 -10.807 -1.330 7.839 1.00 0.00 N ATOM 1649 CA THR A 107 -11.683 -0.232 8.333 1.00 0.00 C ATOM 1650 C THR A 107 -12.038 0.686 7.161 1.00 0.00 C ATOM 1651 O THR A 107 -11.176 1.164 6.453 1.00 0.00 O ATOM 1652 CB THR A 107 -10.943 0.572 9.407 1.00 0.00 C ATOM 1653 OG1 THR A 107 -9.725 -0.083 9.732 1.00 0.00 O ATOM 1654 CG2 THR A 107 -11.816 0.682 10.659 1.00 0.00 C ATOM 0 H THR A 107 -9.872 -1.042 7.550 1.00 0.00 H new ATOM 0 HA THR A 107 -12.593 -0.652 8.763 1.00 0.00 H new ATOM 0 HB THR A 107 -10.729 1.571 9.029 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.328 0.338 10.523 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.288 1.254 11.422 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.749 1.186 10.409 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.033 -0.316 11.040 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.297 0.934 6.945 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.694 1.818 5.812 1.00 0.00 C ATOM 1664 C LYS A 108 -13.497 3.280 6.214 1.00 0.00 C ATOM 1665 O LYS A 108 -14.119 3.770 7.135 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.166 1.576 5.471 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.571 2.471 4.298 1.00 0.00 C ATOM 1668 CD LYS A 108 -17.065 2.784 4.388 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.616 3.044 2.985 1.00 0.00 C ATOM 1670 NZ LYS A 108 -18.962 3.676 3.091 1.00 0.00 N ATOM 0 H LYS A 108 -14.068 0.565 7.501 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.077 1.595 4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.324 0.528 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.791 1.789 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.993 3.395 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.349 1.974 3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.595 1.951 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.227 3.656 5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.939 3.695 2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.684 2.108 2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.338 3.854 2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -19.605 3.040 3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.883 4.577 3.605 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.632 3.981 5.530 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.394 5.411 5.878 1.00 0.00 C ATOM 1686 C ILE A 109 -12.956 6.309 4.774 1.00 0.00 C ATOM 1687 O ILE A 109 -13.284 7.456 5.003 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.891 5.659 6.023 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -10.127 4.748 5.058 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.458 5.355 7.458 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.703 5.275 4.876 1.00 0.00 C ATOM 0 H ILE A 109 -12.082 3.626 4.748 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.892 5.641 6.820 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.673 6.701 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.102 3.730 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.638 4.710 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.387 5.532 7.560 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.000 6.003 8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.677 4.313 7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.160 4.626 4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.738 6.286 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.194 5.290 5.840 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.067 5.799 3.579 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.607 6.627 2.463 1.00 0.00 C ATOM 1705 C ARG A 110 -14.438 5.746 1.528 1.00 0.00 C ATOM 1706 O ARG A 110 -13.848 4.949 0.817 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.447 7.247 1.682 1.00 0.00 C ATOM 1708 CG ARG A 110 -11.607 8.117 2.620 1.00 0.00 C ATOM 1709 CD ARG A 110 -11.093 9.341 1.858 1.00 0.00 C ATOM 1710 NE ARG A 110 -9.930 9.932 2.583 1.00 0.00 N ATOM 1711 CZ ARG A 110 -9.909 9.946 3.888 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -10.985 10.261 4.555 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -8.810 9.646 4.526 1.00 0.00 N ATOM 1714 OXT ARG A 110 -15.650 5.884 1.539 1.00 0.00 O ATOM 0 H ARG A 110 -12.808 4.845 3.326 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.237 7.418 2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.829 6.463 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.830 7.848 0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.206 8.432 3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -10.769 7.542 3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.798 9.055 0.848 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -11.887 10.081 1.760 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.150 10.326 2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.843 10.496 4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.968 10.272 5.575 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.968 9.401 4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.793 9.657 5.546 1.00 0.00 H new TER 1728 ARG A 110