USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 624 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 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -4.14! C(o=-4.1!,f=-9!) USER MOD Single : A 25 ASN : amide:sc= -0.807 K(o=-0.81,f=-2.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -46:sc= 0.143! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= -0.0125 (180deg=-0.101) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 38:sc= -2.01! USER MOD Single : A 43 THR OG1 : rot 170:sc= -0.285 USER MOD Single : A 49 MET CE :methyl 147:sc= -0.278 (180deg=-1.16) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.57 K(o=-1.6,f=-3.3) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -60:sc= -1.21 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0157 K(o=-0.016,f=-0.93) USER MOD Single : A 76 GLN : amide:sc= -4.58! C(o=-4.6!,f=-4.8!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -177:sc= -3.77! (180deg=-3.94!) USER MOD Single : A 86 ASN : amide:sc= -0.401 K(o=-0.4,f=-3!) USER MOD Single : A 92 HIS : no HE2:sc= 0.791 K(o=0.79,f=-6.6!) USER MOD Single : A 95 GLN : amide:sc= -4.21! C(o=-4.2!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 21 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLU A 21 3.296 -0.913 -1.130 1.00 0.00 C ATOM 4 O GLU A 21 3.384 -1.928 -1.819 1.00 0.00 O ATOM 5 CB GLU A 21 2.485 1.420 -1.638 1.00 0.00 C ATOM 6 CG GLU A 21 1.274 2.235 -2.098 1.00 0.00 C ATOM 7 CD GLU A 21 0.723 1.699 -3.421 1.00 0.00 C ATOM 8 OE1 GLU A 21 1.380 1.831 -4.464 1.00 0.00 O ATOM 9 OE2 GLU A 21 -0.430 1.128 -3.340 1.00 0.00 O ATOM 0 HA GLU A 21 1.427 -0.387 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.959 1.913 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.225 1.380 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.496 2.200 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.558 3.281 -2.215 1.00 0.00 H new ATOM 17 N THR A 22 4.208 -0.519 -0.254 1.00 0.00 N ATOM 18 CA THR A 22 5.421 -1.289 -0.040 1.00 0.00 C ATOM 19 C THR A 22 5.864 -1.192 1.422 1.00 0.00 C ATOM 20 O THR A 22 5.368 -0.350 2.169 1.00 0.00 O ATOM 21 CB THR A 22 6.478 -0.792 -1.029 1.00 0.00 C ATOM 22 OG1 THR A 22 7.367 -1.897 -1.171 1.00 0.00 O ATOM 23 CG2 THR A 22 7.353 0.317 -0.442 1.00 0.00 C ATOM 0 H THR A 22 4.131 0.323 0.316 1.00 0.00 H new ATOM 0 HA THR A 22 5.254 -2.350 -0.227 1.00 0.00 H new ATOM 0 HB THR A 22 5.988 -0.428 -1.932 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.083 -1.662 -1.797 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.086 0.634 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.728 1.166 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.870 -0.057 0.442 1.00 0.00 H new ATOM 31 N HIS A 23 6.792 -2.065 1.785 1.00 0.00 N ATOM 32 CA HIS A 23 7.306 -2.088 3.144 1.00 0.00 C ATOM 33 C HIS A 23 8.622 -1.309 3.208 1.00 0.00 C ATOM 34 O HIS A 23 9.607 -1.696 2.582 1.00 0.00 O ATOM 35 CB HIS A 23 7.443 -3.526 3.649 1.00 0.00 C ATOM 36 CG HIS A 23 8.053 -3.638 5.026 1.00 0.00 C ATOM 37 ND1 HIS A 23 8.251 -2.543 5.849 1.00 0.00 N ATOM 38 CD2 HIS A 23 8.506 -4.725 5.714 1.00 0.00 C ATOM 39 CE1 HIS A 23 8.799 -2.964 6.980 1.00 0.00 C ATOM 40 NE2 HIS A 23 8.957 -4.316 6.894 1.00 0.00 N ATOM 0 H HIS A 23 7.201 -2.761 1.162 1.00 0.00 H new ATOM 0 HA HIS A 23 6.599 -1.596 3.812 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.458 -3.992 3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.054 -4.091 2.945 1.00 0.00 H new ATOM 0 HD1 HIS A 23 8.015 -1.577 5.624 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.499 -5.745 5.359 1.00 0.00 H new ATOM 0 HE1 HIS A 23 9.072 -2.345 7.822 1.00 0.00 H new ATOM 48 N ILE A 24 8.594 -0.225 3.969 1.00 0.00 N ATOM 49 CA ILE A 24 9.772 0.611 4.123 1.00 0.00 C ATOM 50 C ILE A 24 9.688 1.364 5.452 1.00 0.00 C ATOM 51 O ILE A 24 8.724 1.205 6.200 1.00 0.00 O ATOM 52 CB ILE A 24 9.942 1.526 2.908 1.00 0.00 C ATOM 53 CG1 ILE A 24 8.863 2.610 2.883 1.00 0.00 C ATOM 54 CG2 ILE A 24 9.970 0.715 1.611 1.00 0.00 C ATOM 55 CD1 ILE A 24 9.399 3.904 2.267 1.00 0.00 C ATOM 0 H ILE A 24 7.774 0.094 4.486 1.00 0.00 H new ATOM 0 HA ILE A 24 10.672 -0.003 4.160 1.00 0.00 H new ATOM 0 HB ILE A 24 10.904 2.031 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.004 2.260 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.513 2.803 3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.092 1.389 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.803 0.013 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.035 0.165 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.612 4.658 2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.243 4.265 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.725 3.713 1.245 1.00 0.00 H new ATOM 67 N ASN A 25 10.711 2.167 5.707 1.00 0.00 N ATOM 68 CA ASN A 25 10.765 2.944 6.933 1.00 0.00 C ATOM 69 C ASN A 25 10.600 4.428 6.599 1.00 0.00 C ATOM 70 O ASN A 25 10.903 4.854 5.485 1.00 0.00 O ATOM 71 CB ASN A 25 12.110 2.765 7.640 1.00 0.00 C ATOM 72 CG ASN A 25 13.222 3.511 6.900 1.00 0.00 C ATOM 73 OD1 ASN A 25 13.300 4.728 6.908 1.00 0.00 O ATOM 74 ND2 ASN A 25 14.075 2.715 6.262 1.00 0.00 N ATOM 0 H ASN A 25 11.509 2.296 5.085 1.00 0.00 H new ATOM 0 HA ASN A 25 9.965 2.597 7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.039 3.133 8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.356 1.705 7.699 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.853 3.116 5.738 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.951 1.703 6.296 1.00 0.00 H new ATOM 81 N LEU A 26 10.121 5.174 7.583 1.00 0.00 N ATOM 82 CA LEU A 26 9.913 6.601 7.408 1.00 0.00 C ATOM 83 C LEU A 26 10.664 7.361 8.503 1.00 0.00 C ATOM 84 O LEU A 26 10.767 6.887 9.634 1.00 0.00 O ATOM 85 CB LEU A 26 8.418 6.922 7.352 1.00 0.00 C ATOM 86 CG LEU A 26 7.989 8.238 8.004 1.00 0.00 C ATOM 87 CD1 LEU A 26 7.031 9.012 7.097 1.00 0.00 C ATOM 88 CD2 LEU A 26 7.394 7.994 9.392 1.00 0.00 C ATOM 0 H LEU A 26 9.871 4.817 8.505 1.00 0.00 H new ATOM 0 HA LEU A 26 10.323 6.930 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.110 6.940 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.874 6.108 7.831 1.00 0.00 H new ATOM 0 HG LEU A 26 8.876 8.858 8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.741 9.943 7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.526 9.235 6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.142 8.410 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.097 8.946 9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.521 7.347 9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.139 7.516 10.028 1.00 0.00 H new ATOM 100 N LYS A 27 11.171 8.527 8.130 1.00 0.00 N ATOM 101 CA LYS A 27 11.909 9.356 9.066 1.00 0.00 C ATOM 102 C LYS A 27 11.459 10.811 8.918 1.00 0.00 C ATOM 103 O LYS A 27 11.701 11.437 7.887 1.00 0.00 O ATOM 104 CB LYS A 27 13.415 9.158 8.886 1.00 0.00 C ATOM 105 CG LYS A 27 14.187 9.679 10.100 1.00 0.00 C ATOM 106 CD LYS A 27 14.272 11.207 10.081 1.00 0.00 C ATOM 107 CE LYS A 27 15.721 11.673 9.933 1.00 0.00 C ATOM 108 NZ LYS A 27 16.072 11.830 8.504 1.00 0.00 N ATOM 0 H LYS A 27 11.085 8.917 7.191 1.00 0.00 H new ATOM 0 HA LYS A 27 11.692 9.057 10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.631 8.100 8.740 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.749 9.678 7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.697 9.350 11.016 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.191 9.255 10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.675 11.598 9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.849 11.610 11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.859 12.621 10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.391 10.951 10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.059 12.147 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.959 10.918 8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.445 12.535 8.068 1.00 0.00 H new ATOM 121 N VAL A 28 10.811 11.306 9.963 1.00 0.00 N ATOM 122 CA VAL A 28 10.325 12.675 9.961 1.00 0.00 C ATOM 123 C VAL A 28 11.311 13.563 10.723 1.00 0.00 C ATOM 124 O VAL A 28 11.570 13.339 11.904 1.00 0.00 O ATOM 125 CB VAL A 28 8.907 12.727 10.535 1.00 0.00 C ATOM 126 CG1 VAL A 28 8.127 11.459 10.184 1.00 0.00 C ATOM 127 CG2 VAL A 28 8.937 12.952 12.049 1.00 0.00 C ATOM 0 H VAL A 28 10.612 10.784 10.816 1.00 0.00 H new ATOM 0 HA VAL A 28 10.264 13.057 8.942 1.00 0.00 H new ATOM 0 HB VAL A 28 8.392 13.573 10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.123 11.522 10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.062 11.360 9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.640 10.590 10.597 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.917 12.985 12.432 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.478 12.136 12.527 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.437 13.896 12.267 1.00 0.00 H new ATOM 137 N SER A 29 11.835 14.553 10.015 1.00 0.00 N ATOM 138 CA SER A 29 12.787 15.476 10.609 1.00 0.00 C ATOM 139 C SER A 29 12.145 16.855 10.776 1.00 0.00 C ATOM 140 O SER A 29 11.387 17.299 9.915 1.00 0.00 O ATOM 141 CB SER A 29 14.056 15.580 9.761 1.00 0.00 C ATOM 142 OG SER A 29 13.764 15.865 8.396 1.00 0.00 O ATOM 0 H SER A 29 11.618 14.736 9.035 1.00 0.00 H new ATOM 0 HA SER A 29 13.069 15.093 11.590 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.699 16.362 10.165 1.00 0.00 H new ATOM 0 HB3 SER A 29 14.613 14.645 9.825 1.00 0.00 H new ATOM 0 HG SER A 29 14.600 15.925 7.888 1.00 0.00 H new ATOM 148 N ASP A 30 12.473 17.494 11.890 1.00 0.00 N ATOM 149 CA ASP A 30 11.938 18.813 12.180 1.00 0.00 C ATOM 150 C ASP A 30 12.826 19.502 13.218 1.00 0.00 C ATOM 151 O ASP A 30 13.540 18.837 13.968 1.00 0.00 O ATOM 152 CB ASP A 30 10.524 18.719 12.757 1.00 0.00 C ATOM 153 CG ASP A 30 9.659 19.965 12.555 1.00 0.00 C ATOM 154 OD1 ASP A 30 8.422 19.887 12.530 1.00 0.00 O ATOM 155 OD2 ASP A 30 10.315 21.067 12.418 1.00 0.00 O ATOM 0 H ASP A 30 13.102 17.123 12.602 1.00 0.00 H new ATOM 0 HA ASP A 30 11.911 19.378 11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.018 17.867 12.303 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.597 18.515 13.825 1.00 0.00 H new ATOM 161 N GLY A 31 12.755 20.825 13.227 1.00 0.00 N ATOM 162 CA GLY A 31 13.544 21.610 14.160 1.00 0.00 C ATOM 163 C GLY A 31 13.897 20.793 15.404 1.00 0.00 C ATOM 164 O GLY A 31 15.061 20.464 15.626 1.00 0.00 O ATOM 0 H GLY A 31 12.163 21.373 12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.458 21.950 13.673 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.988 22.501 14.452 1.00 0.00 H new ATOM 168 N SER A 32 12.869 20.487 16.184 1.00 0.00 N ATOM 169 CA SER A 32 13.056 19.714 17.400 1.00 0.00 C ATOM 170 C SER A 32 12.221 18.434 17.339 1.00 0.00 C ATOM 171 O SER A 32 12.297 17.596 18.237 1.00 0.00 O ATOM 172 CB SER A 32 12.683 20.534 18.636 1.00 0.00 C ATOM 173 OG SER A 32 13.465 20.174 19.772 1.00 0.00 O ATOM 0 H SER A 32 11.904 20.761 15.997 1.00 0.00 H new ATOM 0 HA SER A 32 14.110 19.449 17.479 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.820 21.594 18.423 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.627 20.389 18.862 1.00 0.00 H new ATOM 0 HG SER A 32 13.198 20.721 20.540 1.00 0.00 H new ATOM 179 N SER A 33 11.443 18.322 16.272 1.00 0.00 N ATOM 180 CA SER A 33 10.595 17.158 16.083 1.00 0.00 C ATOM 181 C SER A 33 11.243 16.194 15.087 1.00 0.00 C ATOM 182 O SER A 33 11.171 16.405 13.877 1.00 0.00 O ATOM 183 CB SER A 33 9.202 17.565 15.598 1.00 0.00 C ATOM 184 OG SER A 33 8.739 16.728 14.542 1.00 0.00 O ATOM 0 H SER A 33 11.382 19.019 15.530 1.00 0.00 H new ATOM 0 HA SER A 33 10.484 16.656 17.044 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.500 17.519 16.431 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.225 18.600 15.257 1.00 0.00 H new ATOM 0 HG SER A 33 9.455 16.604 13.885 1.00 0.00 H new ATOM 190 N GLU A 34 11.861 15.157 15.633 1.00 0.00 N ATOM 191 CA GLU A 34 12.522 14.161 14.807 1.00 0.00 C ATOM 192 C GLU A 34 12.227 12.755 15.334 1.00 0.00 C ATOM 193 O GLU A 34 12.603 12.417 16.455 1.00 0.00 O ATOM 194 CB GLU A 34 14.029 14.416 14.739 1.00 0.00 C ATOM 195 CG GLU A 34 14.692 14.143 16.091 1.00 0.00 C ATOM 196 CD GLU A 34 15.882 15.078 16.316 1.00 0.00 C ATOM 197 OE1 GLU A 34 15.691 16.285 16.525 1.00 0.00 O ATOM 198 OE2 GLU A 34 17.039 14.509 16.269 1.00 0.00 O ATOM 0 H GLU A 34 11.918 14.985 16.637 1.00 0.00 H new ATOM 0 HA GLU A 34 12.128 14.239 13.794 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.475 13.779 13.976 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.214 15.448 14.441 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.964 14.276 16.891 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.026 13.106 16.134 1.00 0.00 H new ATOM 206 N ILE A 35 11.556 11.974 14.501 1.00 0.00 N ATOM 207 CA ILE A 35 11.206 10.612 14.869 1.00 0.00 C ATOM 208 C ILE A 35 11.526 9.675 13.702 1.00 0.00 C ATOM 209 O ILE A 35 11.478 10.082 12.543 1.00 0.00 O ATOM 210 CB ILE A 35 9.750 10.540 15.334 1.00 0.00 C ATOM 211 CG1 ILE A 35 9.656 9.990 16.758 1.00 0.00 C ATOM 212 CG2 ILE A 35 8.900 9.733 14.350 1.00 0.00 C ATOM 213 CD1 ILE A 35 10.185 8.556 16.829 1.00 0.00 C ATOM 0 H ILE A 35 11.245 12.258 13.572 1.00 0.00 H new ATOM 0 HA ILE A 35 11.804 10.281 15.718 1.00 0.00 H new ATOM 0 HB ILE A 35 9.347 11.552 15.353 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.226 10.626 17.435 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.619 10.016 17.094 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.870 9.697 14.704 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.931 10.207 13.369 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.294 8.719 14.276 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.107 8.189 17.853 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.597 7.918 16.169 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.229 8.537 16.516 1.00 0.00 H new ATOM 225 N PHE A 36 11.846 8.437 14.050 1.00 0.00 N ATOM 226 CA PHE A 36 12.175 7.439 13.047 1.00 0.00 C ATOM 227 C PHE A 36 11.535 6.091 13.386 1.00 0.00 C ATOM 228 O PHE A 36 11.654 5.608 14.511 1.00 0.00 O ATOM 229 CB PHE A 36 13.697 7.284 13.051 1.00 0.00 C ATOM 230 CG PHE A 36 14.346 7.557 14.410 1.00 0.00 C ATOM 231 CD1 PHE A 36 14.650 8.831 14.774 1.00 0.00 C ATOM 232 CD2 PHE A 36 14.619 6.525 15.252 1.00 0.00 C ATOM 233 CE1 PHE A 36 15.253 9.085 16.035 1.00 0.00 C ATOM 234 CE2 PHE A 36 15.222 6.778 16.513 1.00 0.00 C ATOM 235 CZ PHE A 36 15.526 8.053 16.877 1.00 0.00 C ATOM 0 H PHE A 36 11.884 8.103 15.013 1.00 0.00 H new ATOM 0 HA PHE A 36 11.802 7.754 12.072 1.00 0.00 H new ATOM 0 HB2 PHE A 36 13.950 6.272 12.736 1.00 0.00 H new ATOM 0 HB3 PHE A 36 14.123 7.964 12.313 1.00 0.00 H new ATOM 0 HD1 PHE A 36 14.433 9.650 14.104 1.00 0.00 H new ATOM 0 HD2 PHE A 36 14.377 5.513 14.962 1.00 0.00 H new ATOM 0 HE1 PHE A 36 15.494 10.097 16.325 1.00 0.00 H new ATOM 0 HE2 PHE A 36 15.439 5.959 17.182 1.00 0.00 H new ATOM 0 HZ PHE A 36 15.985 8.246 17.836 1.00 0.00 H new ATOM 245 N PHE A 37 10.871 5.520 12.391 1.00 0.00 N ATOM 246 CA PHE A 37 10.213 4.237 12.569 1.00 0.00 C ATOM 247 C PHE A 37 10.067 3.506 11.233 1.00 0.00 C ATOM 248 O PHE A 37 10.145 4.123 10.172 1.00 0.00 O ATOM 249 CB PHE A 37 8.821 4.523 13.136 1.00 0.00 C ATOM 250 CG PHE A 37 8.783 4.645 14.660 1.00 0.00 C ATOM 251 CD1 PHE A 37 9.393 3.707 15.433 1.00 0.00 C ATOM 252 CD2 PHE A 37 8.139 5.691 15.243 1.00 0.00 C ATOM 253 CE1 PHE A 37 9.357 3.820 16.848 1.00 0.00 C ATOM 254 CE2 PHE A 37 8.103 5.804 16.658 1.00 0.00 C ATOM 255 CZ PHE A 37 8.713 4.866 17.431 1.00 0.00 C ATOM 0 H PHE A 37 10.775 5.923 11.459 1.00 0.00 H new ATOM 0 HA PHE A 37 10.801 3.606 13.235 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.445 5.448 12.698 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.144 3.726 12.829 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.905 2.876 14.971 1.00 0.00 H new ATOM 0 HD2 PHE A 37 7.655 6.436 14.630 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.841 3.075 17.461 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.591 6.635 17.120 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.686 4.952 18.507 1.00 0.00 H new ATOM 265 N LYS A 38 9.857 2.201 11.329 1.00 0.00 N ATOM 266 CA LYS A 38 9.699 1.379 10.141 1.00 0.00 C ATOM 267 C LYS A 38 8.321 0.716 10.165 1.00 0.00 C ATOM 268 O LYS A 38 7.910 0.165 11.186 1.00 0.00 O ATOM 269 CB LYS A 38 10.857 0.387 10.019 1.00 0.00 C ATOM 270 CG LYS A 38 12.147 0.976 10.593 1.00 0.00 C ATOM 271 CD LYS A 38 12.309 0.607 12.069 1.00 0.00 C ATOM 272 CE LYS A 38 13.114 1.673 12.815 1.00 0.00 C ATOM 273 NZ LYS A 38 13.613 1.139 14.102 1.00 0.00 N ATOM 0 H LYS A 38 9.793 1.693 12.211 1.00 0.00 H new ATOM 0 HA LYS A 38 9.741 1.995 9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.608 -0.534 10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.007 0.125 8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.002 0.608 10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.135 2.061 10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.327 0.498 12.530 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.810 -0.358 12.154 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.953 2.000 12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.490 2.549 12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.157 1.875 14.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.808 0.849 14.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.225 0.317 13.923 1.00 0.00 H new ATOM 286 N ILE A 39 7.644 0.790 9.029 1.00 0.00 N ATOM 287 CA ILE A 39 6.320 0.203 8.906 1.00 0.00 C ATOM 288 C ILE A 39 6.175 -0.434 7.523 1.00 0.00 C ATOM 289 O ILE A 39 7.110 -0.411 6.724 1.00 0.00 O ATOM 290 CB ILE A 39 5.242 1.243 9.221 1.00 0.00 C ATOM 291 CG1 ILE A 39 5.718 2.216 10.301 1.00 0.00 C ATOM 292 CG2 ILE A 39 3.922 0.567 9.598 1.00 0.00 C ATOM 293 CD1 ILE A 39 6.471 3.395 9.684 1.00 0.00 C ATOM 0 H ILE A 39 7.987 1.248 8.185 1.00 0.00 H new ATOM 0 HA ILE A 39 6.187 -0.593 9.639 1.00 0.00 H new ATOM 0 HB ILE A 39 5.058 1.828 8.320 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.862 2.583 10.867 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.366 1.694 11.005 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.173 1.328 9.817 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.580 -0.051 8.768 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.072 -0.058 10.478 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.798 4.071 10.474 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.340 3.027 9.139 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.812 3.929 8.999 1.00 0.00 H new ATOM 305 N LYS A 40 4.996 -0.989 7.283 1.00 0.00 N ATOM 306 CA LYS A 40 4.717 -1.631 6.010 1.00 0.00 C ATOM 307 C LYS A 40 3.926 -0.670 5.121 1.00 0.00 C ATOM 308 O LYS A 40 2.736 -0.873 4.886 1.00 0.00 O ATOM 309 CB LYS A 40 4.023 -2.977 6.230 1.00 0.00 C ATOM 310 CG LYS A 40 4.249 -3.912 5.040 1.00 0.00 C ATOM 311 CD LYS A 40 5.203 -5.049 5.409 1.00 0.00 C ATOM 312 CE LYS A 40 4.513 -6.072 6.314 1.00 0.00 C ATOM 313 NZ LYS A 40 5.142 -6.087 7.653 1.00 0.00 N ATOM 0 H LYS A 40 4.223 -1.007 7.949 1.00 0.00 H new ATOM 0 HA LYS A 40 5.646 -1.858 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.403 -3.442 7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.954 -2.820 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.295 -4.325 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.658 -3.347 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.557 -5.540 4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.079 -4.644 5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.454 -5.829 6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.575 -7.063 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.436 -6.365 8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.928 -6.769 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.505 -5.138 7.877 1.00 0.00 H new ATOM 326 N LYS A 41 4.619 0.357 4.650 1.00 0.00 N ATOM 327 CA LYS A 41 3.997 1.350 3.792 1.00 0.00 C ATOM 328 C LYS A 41 5.023 2.430 3.442 1.00 0.00 C ATOM 329 O LYS A 41 5.732 2.924 4.316 1.00 0.00 O ATOM 330 CB LYS A 41 2.725 1.898 4.443 1.00 0.00 C ATOM 331 CG LYS A 41 1.478 1.435 3.686 1.00 0.00 C ATOM 332 CD LYS A 41 0.311 2.398 3.910 1.00 0.00 C ATOM 333 CE LYS A 41 -0.455 2.043 5.186 1.00 0.00 C ATOM 334 NZ LYS A 41 -1.898 2.327 5.019 1.00 0.00 N ATOM 0 H LYS A 41 5.606 0.522 4.847 1.00 0.00 H new ATOM 0 HA LYS A 41 3.678 0.897 2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.670 1.565 5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.761 2.987 4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.699 1.368 2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.198 0.435 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.686 3.419 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.364 2.363 3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.311 0.989 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.060 2.615 6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.404 2.081 5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.031 3.338 4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.274 1.762 4.231 1.00 0.00 H new ATOM 347 N THR A 42 5.068 2.764 2.160 1.00 0.00 N ATOM 348 CA THR A 42 5.995 3.776 1.683 1.00 0.00 C ATOM 349 C THR A 42 5.320 5.149 1.660 1.00 0.00 C ATOM 350 O THR A 42 5.905 6.140 2.094 1.00 0.00 O ATOM 351 CB THR A 42 6.517 3.332 0.315 1.00 0.00 C ATOM 352 OG1 THR A 42 7.080 4.516 -0.243 1.00 0.00 O ATOM 353 CG2 THR A 42 5.388 2.965 -0.651 1.00 0.00 C ATOM 0 H THR A 42 4.478 2.352 1.438 1.00 0.00 H new ATOM 0 HA THR A 42 6.848 3.879 2.354 1.00 0.00 H new ATOM 0 HB THR A 42 7.181 2.476 0.440 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.532 5.026 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.812 2.657 -1.607 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.803 2.146 -0.233 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.743 3.831 -0.803 1.00 0.00 H new ATOM 361 N THR A 43 4.098 5.163 1.148 1.00 0.00 N ATOM 362 CA THR A 43 3.338 6.398 1.062 1.00 0.00 C ATOM 363 C THR A 43 3.715 7.338 2.209 1.00 0.00 C ATOM 364 O THR A 43 3.113 7.289 3.280 1.00 0.00 O ATOM 365 CB THR A 43 1.851 6.037 1.036 1.00 0.00 C ATOM 366 OG1 THR A 43 1.205 7.187 1.576 1.00 0.00 O ATOM 367 CG2 THR A 43 1.503 4.918 2.021 1.00 0.00 C ATOM 0 H THR A 43 3.616 4.339 0.789 1.00 0.00 H new ATOM 0 HA THR A 43 3.571 6.943 0.147 1.00 0.00 H new ATOM 0 HB THR A 43 1.569 5.734 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.236 7.108 1.449 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.437 4.701 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.070 4.022 1.769 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.754 5.234 3.034 1.00 0.00 H new ATOM 375 N PRO A 44 4.736 8.194 1.938 1.00 0.00 N ATOM 376 CA PRO A 44 5.201 9.144 2.934 1.00 0.00 C ATOM 377 C PRO A 44 4.219 10.308 3.083 1.00 0.00 C ATOM 378 O PRO A 44 3.817 10.647 4.195 1.00 0.00 O ATOM 379 CB PRO A 44 6.573 9.583 2.450 1.00 0.00 C ATOM 380 CG PRO A 44 6.629 9.223 0.974 1.00 0.00 C ATOM 381 CD PRO A 44 5.473 8.281 0.680 1.00 0.00 C ATOM 0 HA PRO A 44 5.266 8.709 3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.715 10.654 2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.363 9.078 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.556 10.120 0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.580 8.748 0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.843 8.666 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.831 7.302 0.362 1.00 0.00 H new ATOM 389 N LEU A 45 3.862 10.887 1.947 1.00 0.00 N ATOM 390 CA LEU A 45 2.934 12.006 1.936 1.00 0.00 C ATOM 391 C LEU A 45 1.915 11.828 3.064 1.00 0.00 C ATOM 392 O LEU A 45 1.749 12.715 3.900 1.00 0.00 O ATOM 393 CB LEU A 45 2.300 12.163 0.553 1.00 0.00 C ATOM 394 CG LEU A 45 1.477 10.974 0.053 1.00 0.00 C ATOM 395 CD1 LEU A 45 0.794 11.300 -1.276 1.00 0.00 C ATOM 396 CD2 LEU A 45 2.337 9.712 -0.039 1.00 0.00 C ATOM 0 H LEU A 45 4.198 10.603 1.027 1.00 0.00 H new ATOM 0 HA LEU A 45 3.461 12.941 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.658 13.043 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.093 12.359 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 45 0.689 10.775 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.216 10.438 -1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.129 12.154 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.549 11.541 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.728 8.882 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.161 9.883 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.736 9.471 0.946 1.00 0.00 H new ATOM 408 N ARG A 46 1.260 10.677 3.050 1.00 0.00 N ATOM 409 CA ARG A 46 0.262 10.372 4.061 1.00 0.00 C ATOM 410 C ARG A 46 0.940 9.990 5.378 1.00 0.00 C ATOM 411 O ARG A 46 0.435 10.305 6.455 1.00 0.00 O ATOM 412 CB ARG A 46 -0.645 9.224 3.611 1.00 0.00 C ATOM 413 CG ARG A 46 -1.548 9.660 2.455 1.00 0.00 C ATOM 414 CD ARG A 46 -2.295 8.464 1.862 1.00 0.00 C ATOM 415 NE ARG A 46 -2.338 8.574 0.387 1.00 0.00 N ATOM 416 CZ ARG A 46 -3.202 7.896 -0.398 1.00 0.00 C ATOM 417 NH1 ARG A 46 -4.104 7.052 0.146 1.00 0.00 N ATOM 418 NH2 ARG A 46 -3.151 8.071 -1.705 1.00 0.00 N ATOM 0 H ARG A 46 1.401 9.944 2.355 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.346 11.265 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.036 8.375 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.257 8.889 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.264 10.402 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.948 10.139 1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.801 7.536 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.308 8.423 2.261 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.673 9.202 -0.065 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.136 6.923 1.157 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.753 6.544 -0.454 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.466 8.711 -2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.797 7.567 -2.313 1.00 0.00 H new ATOM 431 N ARG A 47 2.074 9.317 5.250 1.00 0.00 N ATOM 432 CA ARG A 47 2.827 8.889 6.417 1.00 0.00 C ATOM 433 C ARG A 47 3.152 10.090 7.308 1.00 0.00 C ATOM 434 O ARG A 47 2.561 10.253 8.375 1.00 0.00 O ATOM 435 CB ARG A 47 4.129 8.198 6.009 1.00 0.00 C ATOM 436 CG ARG A 47 4.495 7.090 6.999 1.00 0.00 C ATOM 437 CD ARG A 47 4.321 5.709 6.366 1.00 0.00 C ATOM 438 NE ARG A 47 5.498 4.863 6.663 1.00 0.00 N ATOM 439 CZ ARG A 47 5.472 3.514 6.697 1.00 0.00 C ATOM 440 NH1 ARG A 47 4.325 2.844 6.452 1.00 0.00 N ATOM 441 NH2 ARG A 47 6.584 2.859 6.974 1.00 0.00 N ATOM 0 H ARG A 47 2.490 9.057 4.356 1.00 0.00 H new ATOM 0 HA ARG A 47 2.210 8.179 6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.024 7.777 5.009 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.935 8.931 5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.527 7.216 7.326 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.867 7.169 7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.417 5.236 6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.197 5.807 5.288 1.00 0.00 H new ATOM 0 HE ARG A 47 6.385 5.329 6.854 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.470 3.358 6.239 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.314 1.824 6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.446 3.372 7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.581 1.839 7.004 1.00 0.00 H new ATOM 454 N LEU A 48 4.090 10.898 6.838 1.00 0.00 N ATOM 455 CA LEU A 48 4.501 12.079 7.579 1.00 0.00 C ATOM 456 C LEU A 48 3.259 12.848 8.034 1.00 0.00 C ATOM 457 O LEU A 48 3.203 13.333 9.163 1.00 0.00 O ATOM 458 CB LEU A 48 5.475 12.919 6.751 1.00 0.00 C ATOM 459 CG LEU A 48 6.775 13.321 7.451 1.00 0.00 C ATOM 460 CD1 LEU A 48 7.965 12.541 6.889 1.00 0.00 C ATOM 461 CD2 LEU A 48 6.994 14.834 7.373 1.00 0.00 C ATOM 0 H LEU A 48 4.578 10.759 5.953 1.00 0.00 H new ATOM 0 HA LEU A 48 5.047 11.794 8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.728 12.362 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.962 13.826 6.432 1.00 0.00 H new ATOM 0 HG LEU A 48 6.689 13.061 8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.876 12.846 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.804 11.473 7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.064 12.747 5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.925 15.093 7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.050 15.140 6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.163 15.347 7.857 1.00 0.00 H new ATOM 473 N MET A 49 2.292 12.935 7.131 1.00 0.00 N ATOM 474 CA MET A 49 1.055 13.637 7.426 1.00 0.00 C ATOM 475 C MET A 49 0.593 13.358 8.858 1.00 0.00 C ATOM 476 O MET A 49 0.195 14.275 9.575 1.00 0.00 O ATOM 477 CB MET A 49 -0.031 13.192 6.444 1.00 0.00 C ATOM 478 CG MET A 49 -0.796 14.395 5.890 1.00 0.00 C ATOM 479 SD MET A 49 -2.390 13.876 5.277 1.00 0.00 S ATOM 480 CE MET A 49 -3.188 13.446 6.815 1.00 0.00 C ATOM 0 H MET A 49 2.341 12.531 6.196 1.00 0.00 H new ATOM 0 HA MET A 49 1.234 14.707 7.324 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.422 12.635 5.624 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.724 12.515 6.944 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.924 15.145 6.670 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.224 14.863 5.089 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.254 13.665 6.746 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.048 12.383 7.013 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.750 14.027 7.627 1.00 0.00 H new ATOM 490 N GLU A 50 0.662 12.089 9.231 1.00 0.00 N ATOM 491 CA GLU A 50 0.257 11.678 10.564 1.00 0.00 C ATOM 492 C GLU A 50 1.484 11.494 11.459 1.00 0.00 C ATOM 493 O GLU A 50 1.475 11.898 12.621 1.00 0.00 O ATOM 494 CB GLU A 50 -0.581 10.398 10.513 1.00 0.00 C ATOM 495 CG GLU A 50 -1.805 10.507 11.424 1.00 0.00 C ATOM 496 CD GLU A 50 -3.093 10.595 10.603 1.00 0.00 C ATOM 497 OE1 GLU A 50 -3.145 10.084 9.474 1.00 0.00 O ATOM 498 OE2 GLU A 50 -4.064 11.220 11.177 1.00 0.00 O ATOM 0 H GLU A 50 0.992 11.332 8.633 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.366 12.464 10.991 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.902 10.210 9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.029 9.548 10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.849 9.641 12.085 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.713 11.388 12.059 1.00 0.00 H new ATOM 506 N ALA A 51 2.510 10.884 10.885 1.00 0.00 N ATOM 507 CA ALA A 51 3.742 10.642 11.616 1.00 0.00 C ATOM 508 C ALA A 51 4.288 11.972 12.141 1.00 0.00 C ATOM 509 O ALA A 51 4.358 12.184 13.350 1.00 0.00 O ATOM 510 CB ALA A 51 4.740 9.919 10.710 1.00 0.00 C ATOM 0 H ALA A 51 2.513 10.550 9.921 1.00 0.00 H new ATOM 0 HA ALA A 51 3.558 9.999 12.476 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.664 9.738 11.259 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.316 8.968 10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.952 10.536 9.837 1.00 0.00 H new ATOM 516 N PHE A 52 4.661 12.832 11.205 1.00 0.00 N ATOM 517 CA PHE A 52 5.199 14.135 11.558 1.00 0.00 C ATOM 518 C PHE A 52 4.225 14.907 12.449 1.00 0.00 C ATOM 519 O PHE A 52 4.610 15.875 13.103 1.00 0.00 O ATOM 520 CB PHE A 52 5.397 14.906 10.251 1.00 0.00 C ATOM 521 CG PHE A 52 4.581 16.198 10.161 1.00 0.00 C ATOM 522 CD1 PHE A 52 4.877 17.247 10.974 1.00 0.00 C ATOM 523 CD2 PHE A 52 3.560 16.296 9.268 1.00 0.00 C ATOM 524 CE1 PHE A 52 4.119 18.445 10.891 1.00 0.00 C ATOM 525 CE2 PHE A 52 2.802 17.494 9.185 1.00 0.00 C ATOM 526 CZ PHE A 52 3.098 18.544 9.998 1.00 0.00 C ATOM 0 H PHE A 52 4.601 12.652 10.203 1.00 0.00 H new ATOM 0 HA PHE A 52 6.134 14.016 12.106 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.454 15.147 10.140 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.128 14.260 9.415 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.688 17.169 11.683 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.326 15.463 8.622 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.353 19.278 11.537 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.991 17.572 8.477 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.522 19.456 9.934 1.00 0.00 H new ATOM 536 N ALA A 53 2.981 14.450 12.447 1.00 0.00 N ATOM 537 CA ALA A 53 1.948 15.086 13.248 1.00 0.00 C ATOM 538 C ALA A 53 1.743 14.285 14.535 1.00 0.00 C ATOM 539 O ALA A 53 0.904 14.639 15.363 1.00 0.00 O ATOM 540 CB ALA A 53 0.665 15.205 12.424 1.00 0.00 C ATOM 0 H ALA A 53 2.665 13.647 11.903 1.00 0.00 H new ATOM 0 HA ALA A 53 2.248 16.095 13.532 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.110 15.682 13.024 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.858 15.807 11.536 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.332 14.211 12.124 1.00 0.00 H new ATOM 546 N LYS A 54 2.523 13.222 14.665 1.00 0.00 N ATOM 547 CA LYS A 54 2.436 12.369 15.838 1.00 0.00 C ATOM 548 C LYS A 54 3.487 12.807 16.860 1.00 0.00 C ATOM 549 O LYS A 54 3.335 12.562 18.055 1.00 0.00 O ATOM 550 CB LYS A 54 2.544 10.896 15.438 1.00 0.00 C ATOM 551 CG LYS A 54 1.195 10.360 14.954 1.00 0.00 C ATOM 552 CD LYS A 54 1.386 9.229 13.941 1.00 0.00 C ATOM 553 CE LYS A 54 0.346 8.126 14.147 1.00 0.00 C ATOM 554 NZ LYS A 54 0.822 6.850 13.567 1.00 0.00 N ATOM 0 H LYS A 54 3.218 12.932 13.977 1.00 0.00 H new ATOM 0 HA LYS A 54 1.462 12.475 16.316 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.288 10.783 14.650 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.889 10.309 16.289 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.617 9.998 15.804 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.621 11.167 14.499 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.305 9.625 12.929 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.388 8.812 14.041 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.149 7.998 15.211 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.596 8.415 13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.104 6.112 13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.987 6.972 12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.709 6.568 14.030 1.00 0.00 H new ATOM 567 N ARG A 55 4.530 13.447 16.351 1.00 0.00 N ATOM 568 CA ARG A 55 5.606 13.921 17.205 1.00 0.00 C ATOM 569 C ARG A 55 5.434 15.414 17.496 1.00 0.00 C ATOM 570 O ARG A 55 5.491 15.835 18.650 1.00 0.00 O ATOM 571 CB ARG A 55 6.970 13.690 16.552 1.00 0.00 C ATOM 572 CG ARG A 55 7.935 13.008 17.524 1.00 0.00 C ATOM 573 CD ARG A 55 8.959 14.005 18.070 1.00 0.00 C ATOM 574 NE ARG A 55 9.550 13.488 19.325 1.00 0.00 N ATOM 575 CZ ARG A 55 10.545 14.100 20.001 1.00 0.00 C ATOM 576 NH1 ARG A 55 11.069 15.259 19.549 1.00 0.00 N ATOM 577 NH2 ARG A 55 10.997 13.549 21.112 1.00 0.00 N ATOM 0 H ARG A 55 4.653 13.648 15.359 1.00 0.00 H new ATOM 0 HA ARG A 55 5.562 13.358 18.137 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.851 13.074 15.660 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.388 14.643 16.228 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.375 12.568 18.349 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.451 12.192 17.018 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.743 14.174 17.332 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.480 14.967 18.253 1.00 0.00 H new ATOM 0 HE ARG A 55 9.182 12.615 19.702 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.713 15.679 18.690 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.821 15.715 20.066 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.595 12.674 21.447 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.749 13.998 21.635 1.00 0.00 H new ATOM 590 N GLN A 56 5.228 16.172 16.429 1.00 0.00 N ATOM 591 CA GLN A 56 5.048 17.608 16.555 1.00 0.00 C ATOM 592 C GLN A 56 3.560 17.962 16.514 1.00 0.00 C ATOM 593 O GLN A 56 3.119 18.887 17.195 1.00 0.00 O ATOM 594 CB GLN A 56 5.819 18.355 15.465 1.00 0.00 C ATOM 595 CG GLN A 56 5.859 19.857 15.754 1.00 0.00 C ATOM 596 CD GLN A 56 7.039 20.210 16.661 1.00 0.00 C ATOM 597 OE1 GLN A 56 8.087 20.649 16.218 1.00 0.00 O ATOM 598 NE2 GLN A 56 6.810 19.996 17.954 1.00 0.00 N ATOM 0 H GLN A 56 5.182 15.819 15.473 1.00 0.00 H new ATOM 0 HA GLN A 56 5.450 17.922 17.518 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.835 17.966 15.402 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.350 18.180 14.497 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.938 20.409 14.817 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.927 20.165 16.228 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.909 19.626 18.258 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.535 20.202 18.641 1.00 0.00 H new ATOM 607 N GLY A 57 2.827 17.207 15.709 1.00 0.00 N ATOM 608 CA GLY A 57 1.397 17.429 15.570 1.00 0.00 C ATOM 609 C GLY A 57 0.682 17.248 16.910 1.00 0.00 C ATOM 610 O GLY A 57 -0.478 17.630 17.055 1.00 0.00 O ATOM 0 H GLY A 57 3.196 16.441 15.146 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.217 18.435 15.190 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.987 16.733 14.838 1.00 0.00 H new ATOM 614 N LYS A 58 1.404 16.665 17.856 1.00 0.00 N ATOM 615 CA LYS A 58 0.852 16.428 19.180 1.00 0.00 C ATOM 616 C LYS A 58 0.406 17.759 19.787 1.00 0.00 C ATOM 617 O LYS A 58 -0.593 17.815 20.503 1.00 0.00 O ATOM 618 CB LYS A 58 1.852 15.661 20.047 1.00 0.00 C ATOM 619 CG LYS A 58 1.242 14.357 20.565 1.00 0.00 C ATOM 620 CD LYS A 58 0.218 14.630 21.669 1.00 0.00 C ATOM 621 CE LYS A 58 -1.208 14.583 21.118 1.00 0.00 C ATOM 622 NZ LYS A 58 -2.107 13.887 22.066 1.00 0.00 N ATOM 0 H LYS A 58 2.366 16.350 17.732 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.032 15.794 19.117 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.748 15.442 19.467 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.160 16.282 20.888 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.763 13.824 19.744 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.031 13.709 20.948 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.329 13.892 22.464 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.408 15.607 22.113 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.570 15.596 20.942 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.216 14.070 20.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.071 13.864 21.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.770 12.914 22.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.113 14.393 22.974 1.00 0.00 H new ATOM 635 N GLU A 59 1.167 18.799 19.478 1.00 0.00 N ATOM 636 CA GLU A 59 0.862 20.126 19.985 1.00 0.00 C ATOM 637 C GLU A 59 0.006 20.895 18.976 1.00 0.00 C ATOM 638 O GLU A 59 -0.538 21.951 19.297 1.00 0.00 O ATOM 639 CB GLU A 59 2.143 20.895 20.315 1.00 0.00 C ATOM 640 CG GLU A 59 1.961 21.751 21.570 1.00 0.00 C ATOM 641 CD GLU A 59 3.303 22.297 22.061 1.00 0.00 C ATOM 642 OE1 GLU A 59 3.674 23.429 21.719 1.00 0.00 O ATOM 643 OE2 GLU A 59 3.969 21.499 22.826 1.00 0.00 O ATOM 0 H GLU A 59 1.994 18.749 18.883 1.00 0.00 H new ATOM 0 HA GLU A 59 0.293 20.019 20.909 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.964 20.194 20.465 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.417 21.531 19.473 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.285 22.578 21.355 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.497 21.156 22.356 1.00 0.00 H new ATOM 651 N MET A 60 -0.087 20.336 17.779 1.00 0.00 N ATOM 652 CA MET A 60 -0.867 20.956 16.722 1.00 0.00 C ATOM 653 C MET A 60 -0.442 22.410 16.507 1.00 0.00 C ATOM 654 O MET A 60 -1.247 23.241 16.089 1.00 0.00 O ATOM 655 CB MET A 60 -2.352 20.907 17.087 1.00 0.00 C ATOM 656 CG MET A 60 -3.098 19.895 16.215 1.00 0.00 C ATOM 657 SD MET A 60 -3.363 20.572 14.585 1.00 0.00 S ATOM 658 CE MET A 60 -2.571 19.315 13.595 1.00 0.00 C ATOM 0 H MET A 60 0.365 19.460 17.517 1.00 0.00 H new ATOM 0 HA MET A 60 -0.692 20.406 15.797 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.463 20.639 18.138 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.794 21.896 16.962 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.525 18.971 16.145 1.00 0.00 H new ATOM 0 HG3 MET A 60 -4.054 19.643 16.673 1.00 0.00 H new ATOM 0 HE1 MET A 60 -2.645 19.582 12.541 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.521 19.238 13.877 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.063 18.357 13.762 1.00 0.00 H new ATOM 668 N ASP A 61 0.822 22.674 16.804 1.00 0.00 N ATOM 669 CA ASP A 61 1.363 24.013 16.649 1.00 0.00 C ATOM 670 C ASP A 61 2.165 24.087 15.347 1.00 0.00 C ATOM 671 O ASP A 61 2.523 25.173 14.895 1.00 0.00 O ATOM 672 CB ASP A 61 2.303 24.365 17.803 1.00 0.00 C ATOM 673 CG ASP A 61 1.629 25.023 19.008 1.00 0.00 C ATOM 674 OD1 ASP A 61 1.754 26.238 19.225 1.00 0.00 O ATOM 675 OD2 ASP A 61 0.942 24.225 19.753 1.00 0.00 O ATOM 0 H ASP A 61 1.487 21.983 17.151 1.00 0.00 H new ATOM 0 HA ASP A 61 0.528 24.714 16.637 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.801 23.455 18.137 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.078 25.034 17.429 1.00 0.00 H new ATOM 681 N SER A 62 2.424 22.917 14.782 1.00 0.00 N ATOM 682 CA SER A 62 3.177 22.835 13.542 1.00 0.00 C ATOM 683 C SER A 62 2.335 22.151 12.463 1.00 0.00 C ATOM 684 O SER A 62 1.839 21.043 12.667 1.00 0.00 O ATOM 685 CB SER A 62 4.493 22.082 13.745 1.00 0.00 C ATOM 686 OG SER A 62 4.417 20.738 13.280 1.00 0.00 O ATOM 0 H SER A 62 2.126 22.018 15.160 1.00 0.00 H new ATOM 0 HA SER A 62 3.416 23.848 13.220 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.293 22.603 13.219 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.753 22.085 14.804 1.00 0.00 H new ATOM 0 HG SER A 62 3.715 20.261 13.770 1.00 0.00 H new ATOM 692 N LEU A 63 2.199 22.838 11.339 1.00 0.00 N ATOM 693 CA LEU A 63 1.426 22.310 10.227 1.00 0.00 C ATOM 694 C LEU A 63 2.137 22.642 8.914 1.00 0.00 C ATOM 695 O LEU A 63 1.490 22.843 7.887 1.00 0.00 O ATOM 696 CB LEU A 63 -0.017 22.815 10.291 1.00 0.00 C ATOM 697 CG LEU A 63 -0.280 23.974 11.254 1.00 0.00 C ATOM 698 CD1 LEU A 63 -1.457 24.827 10.777 1.00 0.00 C ATOM 699 CD2 LEU A 63 -0.483 23.464 12.682 1.00 0.00 C ATOM 0 H LEU A 63 2.611 23.756 11.174 1.00 0.00 H new ATOM 0 HA LEU A 63 1.362 21.224 10.289 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.317 23.125 9.290 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.660 21.982 10.573 1.00 0.00 H new ATOM 0 HG LEU A 63 0.600 24.617 11.264 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.623 25.644 11.479 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.234 25.236 9.791 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.354 24.210 10.720 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.668 24.308 13.347 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.337 22.787 12.709 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.411 22.934 13.009 1.00 0.00 H new ATOM 711 N ARG A 64 3.459 22.690 8.989 1.00 0.00 N ATOM 712 CA ARG A 64 4.265 22.994 7.819 1.00 0.00 C ATOM 713 C ARG A 64 4.989 21.738 7.332 1.00 0.00 C ATOM 714 O ARG A 64 6.014 21.351 7.892 1.00 0.00 O ATOM 715 CB ARG A 64 5.296 24.082 8.128 1.00 0.00 C ATOM 716 CG ARG A 64 5.840 24.703 6.839 1.00 0.00 C ATOM 717 CD ARG A 64 6.460 26.075 7.112 1.00 0.00 C ATOM 718 NE ARG A 64 6.875 26.705 5.839 1.00 0.00 N ATOM 719 CZ ARG A 64 7.562 27.864 5.756 1.00 0.00 C ATOM 720 NH1 ARG A 64 7.918 28.531 6.875 1.00 0.00 N ATOM 721 NH2 ARG A 64 7.880 28.336 4.565 1.00 0.00 N ATOM 0 H ARG A 64 3.992 22.523 9.842 1.00 0.00 H new ATOM 0 HA ARG A 64 3.595 23.356 7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.839 24.856 8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.117 23.657 8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.588 24.043 6.400 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.035 24.802 6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.740 26.713 7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.321 25.969 7.773 1.00 0.00 H new ATOM 0 HE ARG A 64 6.626 26.234 4.969 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.668 28.160 7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.437 29.406 6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.607 27.826 3.725 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.399 29.210 4.485 1.00 0.00 H new ATOM 734 N PHE A 65 4.428 21.135 6.294 1.00 0.00 N ATOM 735 CA PHE A 65 5.008 19.930 5.725 1.00 0.00 C ATOM 736 C PHE A 65 5.720 20.235 4.405 1.00 0.00 C ATOM 737 O PHE A 65 5.094 20.689 3.449 1.00 0.00 O ATOM 738 CB PHE A 65 3.854 18.962 5.457 1.00 0.00 C ATOM 739 CG PHE A 65 3.043 19.292 4.202 1.00 0.00 C ATOM 740 CD1 PHE A 65 3.436 18.810 2.993 1.00 0.00 C ATOM 741 CD2 PHE A 65 1.930 20.068 4.297 1.00 0.00 C ATOM 742 CE1 PHE A 65 2.683 19.116 1.828 1.00 0.00 C ATOM 743 CE2 PHE A 65 1.177 20.374 3.132 1.00 0.00 C ATOM 744 CZ PHE A 65 1.570 19.892 1.923 1.00 0.00 C ATOM 0 H PHE A 65 3.578 21.458 5.832 1.00 0.00 H new ATOM 0 HA PHE A 65 5.741 19.509 6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.254 17.953 5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.186 18.961 6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.320 18.195 2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.619 20.451 5.258 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.994 18.733 0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 65 0.293 20.989 3.207 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.998 20.126 1.037 1.00 0.00 H new ATOM 754 N LEU A 66 7.018 19.972 4.395 1.00 0.00 N ATOM 755 CA LEU A 66 7.821 20.212 3.208 1.00 0.00 C ATOM 756 C LEU A 66 9.061 19.315 3.247 1.00 0.00 C ATOM 757 O LEU A 66 9.246 18.546 4.189 1.00 0.00 O ATOM 758 CB LEU A 66 8.143 21.701 3.071 1.00 0.00 C ATOM 759 CG LEU A 66 9.299 22.219 3.930 1.00 0.00 C ATOM 760 CD1 LEU A 66 10.649 21.834 3.321 1.00 0.00 C ATOM 761 CD2 LEU A 66 9.181 23.728 4.155 1.00 0.00 C ATOM 0 H LEU A 66 7.534 19.595 5.190 1.00 0.00 H new ATOM 0 HA LEU A 66 7.263 19.947 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.372 21.908 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.248 22.271 3.320 1.00 0.00 H new ATOM 0 HG LEU A 66 9.239 21.742 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.454 22.214 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.722 20.748 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.734 22.265 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.014 24.071 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.202 24.242 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.242 23.948 4.663 1.00 0.00 H new ATOM 773 N TYR A 67 9.878 19.445 2.212 1.00 0.00 N ATOM 774 CA TYR A 67 11.095 18.657 2.116 1.00 0.00 C ATOM 775 C TYR A 67 12.334 19.550 2.193 1.00 0.00 C ATOM 776 O TYR A 67 13.259 19.270 2.955 1.00 0.00 O ATOM 777 CB TYR A 67 11.052 17.981 0.744 1.00 0.00 C ATOM 778 CG TYR A 67 12.314 17.185 0.402 1.00 0.00 C ATOM 779 CD1 TYR A 67 13.389 17.817 -0.189 1.00 0.00 C ATOM 780 CD2 TYR A 67 12.376 15.836 0.686 1.00 0.00 C ATOM 781 CE1 TYR A 67 14.576 17.067 -0.510 1.00 0.00 C ATOM 782 CE2 TYR A 67 13.563 15.087 0.365 1.00 0.00 C ATOM 783 CZ TYR A 67 14.604 15.739 -0.217 1.00 0.00 C ATOM 784 OH TYR A 67 15.726 15.032 -0.521 1.00 0.00 O ATOM 0 H TYR A 67 9.721 20.084 1.433 1.00 0.00 H new ATOM 0 HA TYR A 67 11.153 17.939 2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 67 10.192 17.312 0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.897 18.743 -0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 67 13.340 18.873 -0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.534 15.342 1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.425 17.548 -0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 67 13.625 14.031 0.582 1.00 0.00 H new ATOM 0 HH TYR A 67 15.605 14.097 -0.255 1.00 0.00 H new ATOM 794 N ASP A 68 12.314 20.606 1.394 1.00 0.00 N ATOM 795 CA ASP A 68 13.425 21.542 1.362 1.00 0.00 C ATOM 796 C ASP A 68 12.931 22.928 1.780 1.00 0.00 C ATOM 797 O ASP A 68 13.306 23.433 2.838 1.00 0.00 O ATOM 798 CB ASP A 68 14.011 21.654 -0.046 1.00 0.00 C ATOM 799 CG ASP A 68 15.445 21.142 -0.193 1.00 0.00 C ATOM 800 OD1 ASP A 68 16.284 21.328 0.701 1.00 0.00 O ATOM 801 OD2 ASP A 68 15.692 20.519 -1.296 1.00 0.00 O ATOM 0 H ASP A 68 11.546 20.835 0.763 1.00 0.00 H new ATOM 0 HA ASP A 68 14.193 21.177 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.372 21.101 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.981 22.699 -0.353 1.00 0.00 H new ATOM 807 N GLY A 69 12.096 23.506 0.929 1.00 0.00 N ATOM 808 CA GLY A 69 11.546 24.824 1.196 1.00 0.00 C ATOM 809 C GLY A 69 10.509 25.210 0.140 1.00 0.00 C ATOM 810 O GLY A 69 10.494 26.345 -0.334 1.00 0.00 O ATOM 0 H GLY A 69 11.787 23.085 0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.086 24.837 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.349 25.561 1.209 1.00 0.00 H new ATOM 814 N ILE A 70 9.668 24.244 -0.199 1.00 0.00 N ATOM 815 CA ILE A 70 8.631 24.469 -1.191 1.00 0.00 C ATOM 816 C ILE A 70 7.527 23.424 -1.015 1.00 0.00 C ATOM 817 O ILE A 70 7.079 22.819 -1.988 1.00 0.00 O ATOM 818 CB ILE A 70 9.231 24.497 -2.598 1.00 0.00 C ATOM 819 CG1 ILE A 70 10.513 23.665 -2.664 1.00 0.00 C ATOM 820 CG2 ILE A 70 9.457 25.935 -3.069 1.00 0.00 C ATOM 821 CD1 ILE A 70 10.461 22.668 -3.823 1.00 0.00 C ATOM 0 H ILE A 70 9.684 23.304 0.196 1.00 0.00 H new ATOM 0 HA ILE A 70 8.172 25.447 -1.046 1.00 0.00 H new ATOM 0 HB ILE A 70 8.516 24.042 -3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.373 24.324 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.652 23.129 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.884 25.927 -4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.506 26.467 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.143 26.438 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 70 11.385 22.090 -3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.615 21.995 -3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.347 23.208 -4.763 1.00 0.00 H new ATOM 833 N ARG A 71 7.121 23.244 0.233 1.00 0.00 N ATOM 834 CA ARG A 71 6.078 22.283 0.550 1.00 0.00 C ATOM 835 C ARG A 71 6.227 21.033 -0.319 1.00 0.00 C ATOM 836 O ARG A 71 5.265 20.588 -0.944 1.00 0.00 O ATOM 837 CB ARG A 71 4.689 22.886 0.331 1.00 0.00 C ATOM 838 CG ARG A 71 4.486 23.277 -1.134 1.00 0.00 C ATOM 839 CD ARG A 71 5.023 24.683 -1.406 1.00 0.00 C ATOM 840 NE ARG A 71 5.661 24.732 -2.741 1.00 0.00 N ATOM 841 CZ ARG A 71 4.980 24.830 -3.902 1.00 0.00 C ATOM 842 NH1 ARG A 71 3.631 24.891 -3.902 1.00 0.00 N ATOM 843 NH2 ARG A 71 5.652 24.866 -5.037 1.00 0.00 N ATOM 0 H ARG A 71 7.496 23.748 1.037 1.00 0.00 H new ATOM 0 HA ARG A 71 6.183 22.014 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.926 22.167 0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.565 23.763 0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.993 22.559 -1.779 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.425 23.235 -1.382 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.210 25.408 -1.355 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.745 24.960 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 71 6.679 24.689 -2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.119 24.863 -3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.124 24.965 -4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.671 24.820 -5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.153 24.940 -5.923 1.00 0.00 H new ATOM 856 N ILE A 72 7.441 20.501 -0.332 1.00 0.00 N ATOM 857 CA ILE A 72 7.728 19.311 -1.114 1.00 0.00 C ATOM 858 C ILE A 72 7.943 18.126 -0.171 1.00 0.00 C ATOM 859 O ILE A 72 8.037 18.302 1.043 1.00 0.00 O ATOM 860 CB ILE A 72 8.902 19.563 -2.062 1.00 0.00 C ATOM 861 CG1 ILE A 72 9.853 20.616 -1.489 1.00 0.00 C ATOM 862 CG2 ILE A 72 8.407 19.939 -3.460 1.00 0.00 C ATOM 863 CD1 ILE A 72 11.217 20.557 -2.180 1.00 0.00 C ATOM 0 H ILE A 72 8.237 20.873 0.187 1.00 0.00 H new ATOM 0 HA ILE A 72 6.881 19.061 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 72 9.468 18.636 -2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.420 21.609 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.977 20.455 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.262 20.113 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.801 19.127 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.805 20.846 -3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.874 21.316 -1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 72 11.658 19.571 -2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.093 20.742 -3.247 1.00 0.00 H new ATOM 875 N GLN A 73 8.016 16.943 -0.765 1.00 0.00 N ATOM 876 CA GLN A 73 8.218 15.729 0.007 1.00 0.00 C ATOM 877 C GLN A 73 9.169 14.784 -0.730 1.00 0.00 C ATOM 878 O GLN A 73 9.649 15.103 -1.816 1.00 0.00 O ATOM 879 CB GLN A 73 6.885 15.042 0.308 1.00 0.00 C ATOM 880 CG GLN A 73 6.117 15.787 1.401 1.00 0.00 C ATOM 881 CD GLN A 73 4.791 16.331 0.867 1.00 0.00 C ATOM 882 OE1 GLN A 73 4.746 17.201 0.013 1.00 0.00 O ATOM 883 NE2 GLN A 73 3.716 15.772 1.417 1.00 0.00 N ATOM 0 H GLN A 73 7.939 16.800 -1.772 1.00 0.00 H new ATOM 0 HA GLN A 73 8.672 15.999 0.960 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.282 14.998 -0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.065 14.014 0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.928 15.116 2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.724 16.608 1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.825 15.048 2.127 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.783 16.067 1.128 1.00 0.00 H new ATOM 892 N ALA A 74 9.412 13.639 -0.109 1.00 0.00 N ATOM 893 CA ALA A 74 10.297 12.645 -0.693 1.00 0.00 C ATOM 894 C ALA A 74 9.522 11.822 -1.725 1.00 0.00 C ATOM 895 O ALA A 74 9.334 12.261 -2.859 1.00 0.00 O ATOM 896 CB ALA A 74 10.892 11.776 0.417 1.00 0.00 C ATOM 0 H ALA A 74 9.012 13.377 0.792 1.00 0.00 H new ATOM 0 HA ALA A 74 11.127 13.127 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.556 11.030 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.456 12.403 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.089 11.274 0.956 1.00 0.00 H new ATOM 902 N ASP A 75 9.094 10.644 -1.295 1.00 0.00 N ATOM 903 CA ASP A 75 8.345 9.757 -2.168 1.00 0.00 C ATOM 904 C ASP A 75 6.848 10.032 -2.004 1.00 0.00 C ATOM 905 O ASP A 75 6.051 9.102 -1.890 1.00 0.00 O ATOM 906 CB ASP A 75 8.597 8.291 -1.811 1.00 0.00 C ATOM 907 CG ASP A 75 9.918 8.020 -1.088 1.00 0.00 C ATOM 908 OD1 ASP A 75 9.977 8.007 0.151 1.00 0.00 O ATOM 909 OD2 ASP A 75 10.930 7.812 -1.860 1.00 0.00 O ATOM 0 H ASP A 75 9.252 10.284 -0.354 1.00 0.00 H new ATOM 0 HA ASP A 75 8.669 9.940 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.778 7.939 -1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.573 7.700 -2.727 1.00 0.00 H new ATOM 915 N GLN A 76 6.512 11.313 -1.998 1.00 0.00 N ATOM 916 CA GLN A 76 5.126 11.722 -1.850 1.00 0.00 C ATOM 917 C GLN A 76 4.312 11.293 -3.073 1.00 0.00 C ATOM 918 O GLN A 76 3.084 11.344 -3.055 1.00 0.00 O ATOM 919 CB GLN A 76 5.021 13.232 -1.625 1.00 0.00 C ATOM 920 CG GLN A 76 3.722 13.785 -2.216 1.00 0.00 C ATOM 921 CD GLN A 76 3.824 13.918 -3.737 1.00 0.00 C ATOM 922 OE1 GLN A 76 3.051 13.348 -4.489 1.00 0.00 O ATOM 923 NE2 GLN A 76 4.819 14.700 -4.146 1.00 0.00 N ATOM 0 H GLN A 76 7.176 12.082 -2.093 1.00 0.00 H new ATOM 0 HA GLN A 76 4.714 11.227 -0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.060 13.448 -0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.875 13.732 -2.083 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.892 13.126 -1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.504 14.758 -1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.430 15.147 -3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.971 14.852 -5.143 1.00 0.00 H new ATOM 932 N THR A 77 5.031 10.879 -4.106 1.00 0.00 N ATOM 933 CA THR A 77 4.391 10.440 -5.335 1.00 0.00 C ATOM 934 C THR A 77 4.082 8.943 -5.270 1.00 0.00 C ATOM 935 O THR A 77 4.824 8.178 -4.657 1.00 0.00 O ATOM 936 CB THR A 77 5.301 10.823 -6.504 1.00 0.00 C ATOM 937 OG1 THR A 77 5.858 12.075 -6.115 1.00 0.00 O ATOM 938 CG2 THR A 77 4.515 11.144 -7.777 1.00 0.00 C ATOM 0 H THR A 77 6.050 10.838 -4.117 1.00 0.00 H new ATOM 0 HA THR A 77 3.429 10.932 -5.478 1.00 0.00 H new ATOM 0 HB THR A 77 5.998 10.009 -6.703 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.463 12.396 -6.816 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.208 11.409 -8.575 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.934 10.271 -8.076 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.842 11.980 -7.588 1.00 0.00 H new ATOM 946 N PRO A 78 2.955 8.560 -5.929 1.00 0.00 N ATOM 947 CA PRO A 78 2.538 7.169 -5.952 1.00 0.00 C ATOM 948 C PRO A 78 3.414 6.350 -6.903 1.00 0.00 C ATOM 949 O PRO A 78 3.337 5.122 -6.921 1.00 0.00 O ATOM 950 CB PRO A 78 1.078 7.202 -6.371 1.00 0.00 C ATOM 951 CG PRO A 78 0.860 8.562 -7.014 1.00 0.00 C ATOM 952 CD PRO A 78 2.052 9.439 -6.666 1.00 0.00 C ATOM 0 HA PRO A 78 2.650 6.681 -4.984 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.855 6.398 -7.072 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.422 7.067 -5.511 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.763 8.462 -8.095 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.064 9.012 -6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.528 9.834 -7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.751 10.295 -6.062 1.00 0.00 H new ATOM 960 N GLU A 79 4.227 7.062 -7.669 1.00 0.00 N ATOM 961 CA GLU A 79 5.116 6.417 -8.620 1.00 0.00 C ATOM 962 C GLU A 79 6.515 6.266 -8.020 1.00 0.00 C ATOM 963 O GLU A 79 7.296 5.424 -8.462 1.00 0.00 O ATOM 964 CB GLU A 79 5.165 7.192 -9.938 1.00 0.00 C ATOM 965 CG GLU A 79 4.440 6.431 -11.050 1.00 0.00 C ATOM 966 CD GLU A 79 5.434 5.686 -11.943 1.00 0.00 C ATOM 967 OE1 GLU A 79 6.218 6.322 -12.663 1.00 0.00 O ATOM 968 OE2 GLU A 79 5.374 4.400 -11.871 1.00 0.00 O ATOM 0 H GLU A 79 4.289 8.080 -7.650 1.00 0.00 H new ATOM 0 HA GLU A 79 4.725 5.423 -8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.707 8.172 -9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.203 7.362 -10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.737 5.722 -10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.857 7.128 -11.652 1.00 0.00 H new ATOM 976 N ASP A 80 6.789 7.094 -7.023 1.00 0.00 N ATOM 977 CA ASP A 80 8.081 7.063 -6.358 1.00 0.00 C ATOM 978 C ASP A 80 8.024 6.078 -5.189 1.00 0.00 C ATOM 979 O ASP A 80 8.832 5.154 -5.111 1.00 0.00 O ATOM 980 CB ASP A 80 8.446 8.440 -5.799 1.00 0.00 C ATOM 981 CG ASP A 80 9.946 8.725 -5.711 1.00 0.00 C ATOM 982 OD1 ASP A 80 10.705 7.965 -5.092 1.00 0.00 O ATOM 983 OD2 ASP A 80 10.335 9.793 -6.320 1.00 0.00 O ATOM 0 H ASP A 80 6.139 7.791 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 80 8.830 6.761 -7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.982 9.204 -6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.014 8.537 -4.803 1.00 0.00 H new ATOM 989 N LEU A 81 7.061 6.309 -4.308 1.00 0.00 N ATOM 990 CA LEU A 81 6.888 5.454 -3.146 1.00 0.00 C ATOM 991 C LEU A 81 6.851 3.992 -3.596 1.00 0.00 C ATOM 992 O LEU A 81 7.453 3.128 -2.961 1.00 0.00 O ATOM 993 CB LEU A 81 5.658 5.882 -2.344 1.00 0.00 C ATOM 994 CG LEU A 81 4.319 5.810 -3.080 1.00 0.00 C ATOM 995 CD1 LEU A 81 3.706 4.413 -2.969 1.00 0.00 C ATOM 996 CD2 LEU A 81 3.362 6.897 -2.585 1.00 0.00 C ATOM 0 H LEU A 81 6.392 7.076 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 81 7.734 5.558 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.594 5.257 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.809 6.907 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 81 4.501 5.998 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.755 4.390 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.385 3.682 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.541 4.171 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.418 6.824 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.182 6.765 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.804 7.878 -2.759 1.00 0.00 H new ATOM 1008 N ASP A 82 6.137 3.760 -4.688 1.00 0.00 N ATOM 1009 CA ASP A 82 6.013 2.418 -5.230 1.00 0.00 C ATOM 1010 C ASP A 82 7.369 1.965 -5.774 1.00 0.00 C ATOM 1011 O ASP A 82 7.657 0.770 -5.817 1.00 0.00 O ATOM 1012 CB ASP A 82 5.005 2.379 -6.380 1.00 0.00 C ATOM 1013 CG ASP A 82 4.011 1.217 -6.330 1.00 0.00 C ATOM 1014 OD1 ASP A 82 4.396 0.056 -6.126 1.00 0.00 O ATOM 1015 OD2 ASP A 82 2.777 1.546 -6.514 1.00 0.00 O ATOM 0 H ASP A 82 5.638 4.479 -5.212 1.00 0.00 H new ATOM 0 HA ASP A 82 5.672 1.762 -4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.447 3.315 -6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.552 2.329 -7.321 1.00 0.00 H new ATOM 1021 N MET A 83 8.166 2.944 -6.177 1.00 0.00 N ATOM 1022 CA MET A 83 9.485 2.661 -6.717 1.00 0.00 C ATOM 1023 C MET A 83 10.552 2.727 -5.621 1.00 0.00 C ATOM 1024 O MET A 83 10.939 1.701 -5.065 1.00 0.00 O ATOM 1025 CB MET A 83 9.816 3.675 -7.814 1.00 0.00 C ATOM 1026 CG MET A 83 9.660 3.051 -9.202 1.00 0.00 C ATOM 1027 SD MET A 83 10.327 4.147 -10.442 1.00 0.00 S ATOM 1028 CE MET A 83 9.288 5.576 -10.185 1.00 0.00 C ATOM 0 H MET A 83 7.924 3.934 -6.140 1.00 0.00 H new ATOM 0 HA MET A 83 9.479 1.653 -7.132 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.159 4.540 -7.724 1.00 0.00 H new ATOM 0 HB3 MET A 83 10.837 4.035 -7.686 1.00 0.00 H new ATOM 0 HG2 MET A 83 10.175 2.091 -9.238 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.607 2.856 -9.406 1.00 0.00 H new ATOM 0 HE1 MET A 83 9.536 6.343 -10.919 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.242 5.290 -10.298 1.00 0.00 H new ATOM 0 HE3 MET A 83 9.451 5.968 -9.181 1.00 0.00 H new ATOM 1038 N GLU A 84 10.996 3.944 -5.345 1.00 0.00 N ATOM 1039 CA GLU A 84 12.010 4.158 -4.327 1.00 0.00 C ATOM 1040 C GLU A 84 11.521 3.637 -2.974 1.00 0.00 C ATOM 1041 O GLU A 84 10.321 3.461 -2.769 1.00 0.00 O ATOM 1042 CB GLU A 84 12.397 5.635 -4.239 1.00 0.00 C ATOM 1043 CG GLU A 84 13.781 5.803 -3.611 1.00 0.00 C ATOM 1044 CD GLU A 84 14.840 5.034 -4.403 1.00 0.00 C ATOM 1045 OE1 GLU A 84 14.732 4.918 -5.633 1.00 0.00 O ATOM 1046 OE2 GLU A 84 15.803 4.546 -3.696 1.00 0.00 O ATOM 0 H GLU A 84 10.672 4.793 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 84 12.903 3.600 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.390 6.076 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.657 6.174 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.043 6.860 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.762 5.447 -2.581 1.00 0.00 H new ATOM 1054 N ASP A 85 12.475 3.406 -2.084 1.00 0.00 N ATOM 1055 CA ASP A 85 12.157 2.910 -0.757 1.00 0.00 C ATOM 1056 C ASP A 85 12.950 3.704 0.284 1.00 0.00 C ATOM 1057 O ASP A 85 14.011 3.267 0.727 1.00 0.00 O ATOM 1058 CB ASP A 85 12.536 1.434 -0.615 1.00 0.00 C ATOM 1059 CG ASP A 85 13.831 1.029 -1.319 1.00 0.00 C ATOM 1060 OD1 ASP A 85 14.518 1.865 -1.926 1.00 0.00 O ATOM 1061 OD2 ASP A 85 14.134 -0.222 -1.227 1.00 0.00 O ATOM 0 H ASP A 85 13.469 3.554 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 85 11.084 3.023 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.627 1.198 0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.721 0.826 -1.008 1.00 0.00 H new ATOM 1067 N ASN A 86 12.405 4.857 0.643 1.00 0.00 N ATOM 1068 CA ASN A 86 13.048 5.715 1.623 1.00 0.00 C ATOM 1069 C ASN A 86 12.152 6.924 1.902 1.00 0.00 C ATOM 1070 O ASN A 86 12.272 7.955 1.243 1.00 0.00 O ATOM 1071 CB ASN A 86 14.391 6.233 1.105 1.00 0.00 C ATOM 1072 CG ASN A 86 15.550 5.683 1.939 1.00 0.00 C ATOM 1073 OD1 ASN A 86 15.374 4.870 2.832 1.00 0.00 O ATOM 1074 ND2 ASN A 86 16.740 6.170 1.600 1.00 0.00 N ATOM 0 H ASN A 86 11.525 5.217 0.273 1.00 0.00 H new ATOM 0 HA ASN A 86 13.212 5.129 2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.519 5.943 0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 86 14.401 7.323 1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.576 5.865 2.098 1.00 0.00 H new ATOM 0 HD22 ASN A 86 16.816 6.848 0.842 1.00 0.00 H new ATOM 1081 N ASP A 87 11.274 6.756 2.880 1.00 0.00 N ATOM 1082 CA ASP A 87 10.358 7.820 3.254 1.00 0.00 C ATOM 1083 C ASP A 87 11.049 8.756 4.248 1.00 0.00 C ATOM 1084 O ASP A 87 11.459 8.329 5.326 1.00 0.00 O ATOM 1085 CB ASP A 87 9.105 7.257 3.929 1.00 0.00 C ATOM 1086 CG ASP A 87 8.230 6.376 3.035 1.00 0.00 C ATOM 1087 OD1 ASP A 87 8.200 6.543 1.806 1.00 0.00 O ATOM 1088 OD2 ASP A 87 7.549 5.474 3.657 1.00 0.00 O ATOM 0 H ASP A 87 11.178 5.899 3.425 1.00 0.00 H new ATOM 0 HA ASP A 87 10.071 8.352 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.409 6.676 4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.503 8.089 4.295 1.00 0.00 H new ATOM 1094 N ILE A 88 11.157 10.015 3.849 1.00 0.00 N ATOM 1095 CA ILE A 88 11.792 11.015 4.690 1.00 0.00 C ATOM 1096 C ILE A 88 11.353 12.409 4.238 1.00 0.00 C ATOM 1097 O ILE A 88 11.409 12.727 3.051 1.00 0.00 O ATOM 1098 CB ILE A 88 13.310 10.822 4.700 1.00 0.00 C ATOM 1099 CG1 ILE A 88 14.025 12.073 4.187 1.00 0.00 C ATOM 1100 CG2 ILE A 88 13.708 9.570 3.915 1.00 0.00 C ATOM 1101 CD1 ILE A 88 13.899 12.192 2.667 1.00 0.00 C ATOM 0 H ILE A 88 10.815 10.365 2.954 1.00 0.00 H new ATOM 0 HA ILE A 88 11.472 10.900 5.726 1.00 0.00 H new ATOM 0 HB ILE A 88 13.629 10.670 5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.601 12.958 4.661 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.078 12.035 4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.792 9.456 3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.241 8.694 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.375 9.667 2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.416 13.090 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.345 11.317 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.846 12.255 2.393 1.00 0.00 H new ATOM 1113 N ILE A 89 10.925 13.203 5.209 1.00 0.00 N ATOM 1114 CA ILE A 89 10.476 14.556 4.925 1.00 0.00 C ATOM 1115 C ILE A 89 10.828 15.463 6.106 1.00 0.00 C ATOM 1116 O ILE A 89 11.255 14.984 7.155 1.00 0.00 O ATOM 1117 CB ILE A 89 8.989 14.563 4.566 1.00 0.00 C ATOM 1118 CG1 ILE A 89 8.607 13.304 3.785 1.00 0.00 C ATOM 1119 CG2 ILE A 89 8.612 15.840 3.813 1.00 0.00 C ATOM 1120 CD1 ILE A 89 7.093 13.220 3.584 1.00 0.00 C ATOM 0 H ILE A 89 10.880 12.936 6.192 1.00 0.00 H new ATOM 0 HA ILE A 89 10.993 14.954 4.051 1.00 0.00 H new ATOM 0 HB ILE A 89 8.415 14.554 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 89 9.106 13.308 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 89 8.956 12.421 4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 89 7.550 15.819 3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.824 16.707 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.193 15.905 2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.850 12.316 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.598 13.192 4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.751 14.093 3.028 1.00 0.00 H new ATOM 1132 N GLU A 90 10.634 16.757 5.895 1.00 0.00 N ATOM 1133 CA GLU A 90 10.926 17.735 6.929 1.00 0.00 C ATOM 1134 C GLU A 90 9.651 18.479 7.330 1.00 0.00 C ATOM 1135 O GLU A 90 8.922 18.976 6.473 1.00 0.00 O ATOM 1136 CB GLU A 90 12.009 18.713 6.469 1.00 0.00 C ATOM 1137 CG GLU A 90 12.107 19.909 7.418 1.00 0.00 C ATOM 1138 CD GLU A 90 13.563 20.331 7.621 1.00 0.00 C ATOM 1139 OE1 GLU A 90 14.240 19.809 8.519 1.00 0.00 O ATOM 1140 OE2 GLU A 90 13.988 21.234 6.804 1.00 0.00 O ATOM 0 H GLU A 90 10.278 17.150 5.024 1.00 0.00 H new ATOM 0 HA GLU A 90 11.307 17.208 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 90 12.970 18.201 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.785 19.062 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 90 11.535 20.745 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 90 11.662 19.652 8.379 1.00 0.00 H new ATOM 1148 N ALA A 91 9.420 18.532 8.634 1.00 0.00 N ATOM 1149 CA ALA A 91 8.245 19.207 9.159 1.00 0.00 C ATOM 1150 C ALA A 91 8.654 20.569 9.723 1.00 0.00 C ATOM 1151 O ALA A 91 9.811 20.771 10.089 1.00 0.00 O ATOM 1152 CB ALA A 91 7.573 18.320 10.209 1.00 0.00 C ATOM 0 H ALA A 91 10.027 18.119 9.342 1.00 0.00 H new ATOM 0 HA ALA A 91 7.518 19.383 8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.692 18.826 10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.275 17.376 9.752 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.273 18.124 11.022 1.00 0.00 H new ATOM 1158 N HIS A 92 7.683 21.468 9.775 1.00 0.00 N ATOM 1159 CA HIS A 92 7.928 22.806 10.288 1.00 0.00 C ATOM 1160 C HIS A 92 6.670 23.325 10.987 1.00 0.00 C ATOM 1161 O HIS A 92 5.660 22.627 11.055 1.00 0.00 O ATOM 1162 CB HIS A 92 8.413 23.735 9.174 1.00 0.00 C ATOM 1163 CG HIS A 92 9.905 23.970 9.177 1.00 0.00 C ATOM 1164 ND1 HIS A 92 10.824 22.951 9.358 1.00 0.00 N ATOM 1165 CD2 HIS A 92 10.627 25.116 9.019 1.00 0.00 C ATOM 1166 CE1 HIS A 92 12.041 23.473 9.309 1.00 0.00 C ATOM 1167 NE2 HIS A 92 11.917 24.815 9.100 1.00 0.00 N ATOM 0 H HIS A 92 6.725 21.297 9.470 1.00 0.00 H new ATOM 0 HA HIS A 92 8.727 22.775 11.029 1.00 0.00 H new ATOM 0 HB2 HIS A 92 8.124 23.313 8.211 1.00 0.00 H new ATOM 0 HB3 HIS A 92 7.904 24.694 9.268 1.00 0.00 H new ATOM 0 HD1 HIS A 92 10.602 21.966 9.504 1.00 0.00 H new ATOM 0 HD2 HIS A 92 10.218 26.102 8.856 1.00 0.00 H new ATOM 0 HE1 HIS A 92 12.969 22.931 9.416 1.00 0.00 H new ATOM 1175 N ARG A 93 6.773 24.547 11.490 1.00 0.00 N ATOM 1176 CA ARG A 93 5.656 25.169 12.181 1.00 0.00 C ATOM 1177 C ARG A 93 5.032 26.259 11.308 1.00 0.00 C ATOM 1178 O ARG A 93 5.744 27.017 10.651 1.00 0.00 O ATOM 1179 CB ARG A 93 6.103 25.782 13.509 1.00 0.00 C ATOM 1180 CG ARG A 93 7.383 25.116 14.018 1.00 0.00 C ATOM 1181 CD ARG A 93 7.126 23.658 14.406 1.00 0.00 C ATOM 1182 NE ARG A 93 8.088 23.235 15.448 1.00 0.00 N ATOM 1183 CZ ARG A 93 9.415 23.098 15.242 1.00 0.00 C ATOM 1184 NH1 ARG A 93 9.950 23.352 14.029 1.00 0.00 N ATOM 1185 NH2 ARG A 93 10.182 22.713 16.245 1.00 0.00 N ATOM 0 H ARG A 93 7.613 25.123 11.433 1.00 0.00 H new ATOM 0 HA ARG A 93 4.917 24.393 12.382 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.271 26.851 13.381 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.311 25.670 14.250 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.152 25.161 13.247 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.764 25.664 14.880 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.106 23.545 14.774 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.222 23.017 13.529 1.00 0.00 H new ATOM 0 HE ARG A 93 7.726 23.034 16.380 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.350 23.650 13.259 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.954 23.246 13.882 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.770 22.524 17.159 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.187 22.605 16.106 1.00 0.00 H new ATOM 1198 N GLU A 94 3.708 26.303 11.329 1.00 0.00 N ATOM 1199 CA GLU A 94 2.979 27.288 10.547 1.00 0.00 C ATOM 1200 C GLU A 94 1.560 27.455 11.093 1.00 0.00 C ATOM 1201 O GLU A 94 0.625 26.822 10.605 1.00 0.00 O ATOM 1202 CB GLU A 94 2.956 26.905 9.066 1.00 0.00 C ATOM 1203 CG GLU A 94 2.204 25.589 8.853 1.00 0.00 C ATOM 1204 CD GLU A 94 0.995 25.791 7.938 1.00 0.00 C ATOM 1205 OE1 GLU A 94 0.062 26.525 8.297 1.00 0.00 O ATOM 1206 OE2 GLU A 94 1.046 25.154 6.817 1.00 0.00 O ATOM 0 H GLU A 94 3.121 25.673 11.875 1.00 0.00 H new ATOM 0 HA GLU A 94 3.495 28.245 10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.480 27.698 8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.977 26.809 8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.875 24.849 8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.875 25.194 9.814 1.00 0.00 H new ATOM 1214 N GLN A 95 1.443 28.310 12.098 1.00 0.00 N ATOM 1215 CA GLN A 95 0.154 28.568 12.716 1.00 0.00 C ATOM 1216 C GLN A 95 0.158 29.935 13.403 1.00 0.00 C ATOM 1217 O GLN A 95 0.746 30.095 14.472 1.00 0.00 O ATOM 1218 CB GLN A 95 -0.213 27.459 13.704 1.00 0.00 C ATOM 1219 CG GLN A 95 -1.468 27.825 14.498 1.00 0.00 C ATOM 1220 CD GLN A 95 -1.122 28.720 15.690 1.00 0.00 C ATOM 1221 OE1 GLN A 95 -0.077 28.599 16.307 1.00 0.00 O ATOM 1222 NE2 GLN A 95 -2.056 29.622 15.978 1.00 0.00 N ATOM 0 H GLN A 95 2.221 28.833 12.500 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.605 28.578 11.934 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.379 26.527 13.164 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.618 27.288 14.389 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.177 28.337 13.848 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.957 26.917 14.851 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.909 29.669 15.420 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.920 30.267 16.757 1.00 0.00 H new ATOM 1231 N ILE A 96 -0.504 30.887 12.761 1.00 0.00 N ATOM 1232 CA ILE A 96 -0.584 32.235 13.297 1.00 0.00 C ATOM 1233 C ILE A 96 -1.849 32.367 14.148 1.00 0.00 C ATOM 1234 O ILE A 96 -2.787 31.585 13.998 1.00 0.00 O ATOM 1235 CB ILE A 96 -0.491 33.266 12.171 1.00 0.00 C ATOM 1236 CG1 ILE A 96 -1.733 33.218 11.279 1.00 0.00 C ATOM 1237 CG2 ILE A 96 0.799 33.084 11.367 1.00 0.00 C ATOM 1238 CD1 ILE A 96 -2.938 33.842 11.984 1.00 0.00 C ATOM 0 H ILE A 96 -0.990 30.751 11.874 1.00 0.00 H new ATOM 0 HA ILE A 96 0.264 32.435 13.952 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.455 34.259 12.619 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.537 33.749 10.347 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.956 32.184 11.016 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.841 33.829 10.573 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.659 33.207 12.026 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.817 32.086 10.929 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.808 33.795 11.328 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.146 33.294 12.903 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.720 34.883 12.224 1.00 0.00 H new TER 1250 ILE A 96