USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 740 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 18 ASN : amide:sc= -1.7 K(o=-1.7,f=-3.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.0501 X(o=-0.05,f=-0.36) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= -1.04 (180deg=-2.5!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.5!) USER MOD Single : A 39 ASN : amide:sc= -0.0541 X(o=-0.054,f=0.035) USER MOD Single : A 40 GLN : amide:sc= 0.728 K(o=0.73,f=-0.39) USER MOD Single : A 42 GLN : amide:sc= -2.5! K(o=-2.5!,f=-3.2) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0.335 X(o=0.33,f=0) USER MOD Single : A 51 MET CE :methyl -158:sc= -0.623 (180deg=-2.23) USER MOD Single : A 52 MET CE :methyl 178:sc= -6.59! (180deg=-6.71!) USER MOD Single : A 55 LYS NZ :NH3+ 124:sc= 0.0125 (180deg=-0.0109) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.692 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= -0.0173 (180deg=-0.177) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.039 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.069 24.562 20.204 1.00 0.00 N ATOM 2 CA GLY A 1 2.982 23.441 20.328 1.00 0.00 C ATOM 3 C GLY A 1 3.235 22.750 19.002 1.00 0.00 C ATOM 4 O GLY A 1 3.969 23.262 18.158 1.00 0.00 O ATOM 0 H1 GLY A 1 1.929 25.000 21.137 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.468 25.264 19.548 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.155 24.227 19.838 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.929 23.791 20.738 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.574 22.721 21.038 1.00 0.00 H new ATOM 8 N SER A 2 2.626 21.582 18.820 1.00 0.00 N ATOM 9 CA SER A 2 2.794 20.817 17.591 1.00 0.00 C ATOM 10 C SER A 2 1.470 20.199 17.149 1.00 0.00 C ATOM 11 O SER A 2 0.698 19.708 17.972 1.00 0.00 O ATOM 12 CB SER A 2 3.841 19.719 17.786 1.00 0.00 C ATOM 13 OG SER A 2 4.094 19.033 16.573 1.00 0.00 O ATOM 0 H SER A 2 2.012 21.146 19.508 1.00 0.00 H new ATOM 0 HA SER A 2 3.135 21.500 16.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.767 20.157 18.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.495 19.013 18.541 1.00 0.00 H new ATOM 0 HG SER A 2 4.768 18.338 16.725 1.00 0.00 H new ATOM 19 N SER A 3 1.215 20.229 15.846 1.00 0.00 N ATOM 20 CA SER A 3 -0.016 19.677 15.294 1.00 0.00 C ATOM 21 C SER A 3 0.128 18.180 15.036 1.00 0.00 C ATOM 22 O SER A 3 1.225 17.628 15.112 1.00 0.00 O ATOM 23 CB SER A 3 -0.387 20.396 13.997 1.00 0.00 C ATOM 24 OG SER A 3 -0.958 21.665 14.262 1.00 0.00 O ATOM 0 H SER A 3 1.845 20.630 15.152 1.00 0.00 H new ATOM 0 HA SER A 3 -0.811 19.828 16.024 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.502 20.516 13.377 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.092 19.788 13.430 1.00 0.00 H new ATOM 0 HG SER A 3 -1.185 22.105 13.416 1.00 0.00 H new ATOM 30 N GLY A 4 -0.989 17.529 14.729 1.00 0.00 N ATOM 31 CA GLY A 4 -0.968 16.101 14.464 1.00 0.00 C ATOM 32 C GLY A 4 -2.004 15.346 15.271 1.00 0.00 C ATOM 33 O GLY A 4 -1.678 14.381 15.964 1.00 0.00 O ATOM 0 H GLY A 4 -1.909 17.964 14.659 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.143 15.929 13.402 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.023 15.707 14.691 1.00 0.00 H new ATOM 37 N SER A 5 -3.255 15.784 15.184 1.00 0.00 N ATOM 38 CA SER A 5 -4.342 15.146 15.918 1.00 0.00 C ATOM 39 C SER A 5 -4.470 13.677 15.529 1.00 0.00 C ATOM 40 O SER A 5 -4.504 12.796 16.387 1.00 0.00 O ATOM 41 CB SER A 5 -5.661 15.873 15.652 1.00 0.00 C ATOM 42 OG SER A 5 -5.870 16.912 16.593 1.00 0.00 O ATOM 0 H SER A 5 -3.542 16.579 14.612 1.00 0.00 H new ATOM 0 HA SER A 5 -4.112 15.204 16.982 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.655 16.287 14.644 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.487 15.163 15.700 1.00 0.00 H new ATOM 0 HG SER A 5 -6.719 17.362 16.400 1.00 0.00 H new ATOM 48 N SER A 6 -4.541 13.420 14.227 1.00 0.00 N ATOM 49 CA SER A 6 -4.670 12.058 13.721 1.00 0.00 C ATOM 50 C SER A 6 -3.300 11.408 13.557 1.00 0.00 C ATOM 51 O SER A 6 -3.092 10.262 13.955 1.00 0.00 O ATOM 52 CB SER A 6 -5.411 12.056 12.383 1.00 0.00 C ATOM 53 OG SER A 6 -6.648 12.739 12.483 1.00 0.00 O ATOM 0 H SER A 6 -4.511 14.137 13.503 1.00 0.00 H new ATOM 0 HA SER A 6 -5.243 11.480 14.446 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.792 12.529 11.620 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.584 11.029 12.061 1.00 0.00 H new ATOM 0 HG SER A 6 -7.101 12.725 11.614 1.00 0.00 H new ATOM 59 N GLY A 7 -2.366 12.149 12.969 1.00 0.00 N ATOM 60 CA GLY A 7 -1.027 11.629 12.762 1.00 0.00 C ATOM 61 C GLY A 7 -0.930 10.752 11.531 1.00 0.00 C ATOM 62 O GLY A 7 0.015 10.869 10.749 1.00 0.00 O ATOM 0 H GLY A 7 -2.513 13.101 12.632 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.328 12.460 12.668 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.724 11.055 13.638 1.00 0.00 H new ATOM 66 N ILE A 8 -1.907 9.869 11.356 1.00 0.00 N ATOM 67 CA ILE A 8 -1.927 8.967 10.211 1.00 0.00 C ATOM 68 C ILE A 8 -1.478 9.682 8.941 1.00 0.00 C ATOM 69 O ILE A 8 -1.951 10.775 8.629 1.00 0.00 O ATOM 70 CB ILE A 8 -3.331 8.376 9.984 1.00 0.00 C ATOM 71 CG1 ILE A 8 -3.787 7.598 11.221 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.335 7.479 8.756 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.254 7.234 11.198 1.00 0.00 C ATOM 0 H ILE A 8 -2.696 9.759 11.993 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.233 8.157 10.435 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.031 9.194 9.815 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.196 6.686 11.305 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.583 8.194 12.111 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.334 7.069 8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.048 8.061 7.880 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.625 6.664 8.898 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.507 6.685 12.105 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.854 8.143 11.145 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.461 6.612 10.327 1.00 0.00 H new ATOM 85 N VAL A 9 -0.560 9.057 8.210 1.00 0.00 N ATOM 86 CA VAL A 9 -0.048 9.631 6.971 1.00 0.00 C ATOM 87 C VAL A 9 -0.376 8.743 5.776 1.00 0.00 C ATOM 88 O VAL A 9 -0.352 7.515 5.876 1.00 0.00 O ATOM 89 CB VAL A 9 1.477 9.840 7.038 1.00 0.00 C ATOM 90 CG1 VAL A 9 2.187 8.517 7.285 1.00 0.00 C ATOM 91 CG2 VAL A 9 1.981 10.494 5.761 1.00 0.00 C ATOM 0 H VAL A 9 -0.156 8.153 8.455 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.535 10.598 6.845 1.00 0.00 H new ATOM 0 HB VAL A 9 1.699 10.505 7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.263 8.684 7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.847 8.092 8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.960 7.825 6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.060 10.634 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.748 9.855 4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.496 11.462 5.632 1.00 0.00 H new ATOM 101 N LEU A 10 -0.683 9.370 4.646 1.00 0.00 N ATOM 102 CA LEU A 10 -1.016 8.637 3.431 1.00 0.00 C ATOM 103 C LEU A 10 -0.114 7.418 3.266 1.00 0.00 C ATOM 104 O LEU A 10 -0.542 6.379 2.761 1.00 0.00 O ATOM 105 CB LEU A 10 -0.889 9.550 2.210 1.00 0.00 C ATOM 106 CG LEU A 10 -2.088 10.451 1.917 1.00 0.00 C ATOM 107 CD1 LEU A 10 -1.944 11.783 2.640 1.00 0.00 C ATOM 108 CD2 LEU A 10 -2.239 10.669 0.419 1.00 0.00 C ATOM 0 H LEU A 10 -0.708 10.385 4.546 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.047 8.294 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.010 10.181 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.705 8.928 1.334 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.988 9.957 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.807 12.412 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.886 11.609 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.036 12.283 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.098 11.313 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.338 11.141 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.389 9.709 -0.075 1.00 0.00 H new ATOM 120 N LEU A 11 1.136 7.551 3.695 1.00 0.00 N ATOM 121 CA LEU A 11 2.100 6.460 3.596 1.00 0.00 C ATOM 122 C LEU A 11 1.715 5.311 4.523 1.00 0.00 C ATOM 123 O LEU A 11 1.826 4.140 4.155 1.00 0.00 O ATOM 124 CB LEU A 11 3.504 6.961 3.940 1.00 0.00 C ATOM 125 CG LEU A 11 4.665 6.152 3.362 1.00 0.00 C ATOM 126 CD1 LEU A 11 5.866 7.049 3.110 1.00 0.00 C ATOM 127 CD2 LEU A 11 5.037 5.008 4.295 1.00 0.00 C ATOM 0 H LEU A 11 1.506 8.404 4.115 1.00 0.00 H new ATOM 0 HA LEU A 11 2.095 6.093 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.596 7.990 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.605 6.980 5.025 1.00 0.00 H new ATOM 0 HG LEU A 11 4.348 5.727 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.683 6.456 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.593 7.832 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.184 7.503 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.865 4.444 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.335 5.410 5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.178 4.350 4.424 1.00 0.00 H new ATOM 139 N ARG A 12 1.263 5.651 5.724 1.00 0.00 N ATOM 140 CA ARG A 12 0.862 4.648 6.703 1.00 0.00 C ATOM 141 C ARG A 12 0.218 3.446 6.016 1.00 0.00 C ATOM 142 O ARG A 12 0.377 2.309 6.457 1.00 0.00 O ATOM 143 CB ARG A 12 -0.113 5.252 7.716 1.00 0.00 C ATOM 144 CG ARG A 12 -0.080 4.571 9.073 1.00 0.00 C ATOM 145 CD ARG A 12 -0.434 5.539 10.191 1.00 0.00 C ATOM 146 NE ARG A 12 0.577 6.580 10.355 1.00 0.00 N ATOM 147 CZ ARG A 12 0.766 7.251 11.486 1.00 0.00 C ATOM 148 NH1 ARG A 12 0.015 6.991 12.548 1.00 0.00 N ATOM 149 NH2 ARG A 12 1.706 8.184 11.556 1.00 0.00 N ATOM 0 H ARG A 12 1.165 6.615 6.044 1.00 0.00 H new ATOM 0 HA ARG A 12 1.756 4.311 7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.118 6.310 7.844 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.124 5.193 7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.780 3.735 9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.913 4.157 9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.398 6.001 9.979 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.543 4.989 11.126 1.00 0.00 H new ATOM 0 HE ARG A 12 1.171 6.804 9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.709 6.275 12.497 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.162 7.507 13.415 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.285 8.387 10.741 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.850 8.699 12.425 1.00 0.00 H new ATOM 163 N GLY A 13 -0.510 3.708 4.935 1.00 0.00 N ATOM 164 CA GLY A 13 -1.167 2.639 4.207 1.00 0.00 C ATOM 165 C GLY A 13 -0.304 1.398 4.094 1.00 0.00 C ATOM 166 O GLY A 13 -0.768 0.286 4.346 1.00 0.00 O ATOM 0 H GLY A 13 -0.656 4.641 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.101 2.384 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.426 2.990 3.208 1.00 0.00 H new ATOM 170 N LEU A 14 0.955 1.587 3.714 1.00 0.00 N ATOM 171 CA LEU A 14 1.886 0.473 3.567 1.00 0.00 C ATOM 172 C LEU A 14 2.040 -0.283 4.882 1.00 0.00 C ATOM 173 O LEU A 14 1.692 -1.459 4.977 1.00 0.00 O ATOM 174 CB LEU A 14 3.248 0.981 3.093 1.00 0.00 C ATOM 175 CG LEU A 14 3.243 1.839 1.828 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.604 2.481 1.611 1.00 0.00 C ATOM 177 CD2 LEU A 14 2.845 1.005 0.619 1.00 0.00 C ATOM 0 H LEU A 14 1.355 2.501 3.502 1.00 0.00 H new ATOM 0 HA LEU A 14 1.482 -0.212 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.697 1.561 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.894 0.120 2.921 1.00 0.00 H new ATOM 0 HG LEU A 14 2.507 2.633 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.580 3.088 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.849 3.113 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.361 1.703 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.847 1.632 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.556 0.189 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.847 0.595 0.772 1.00 0.00 H new ATOM 189 N GLU A 15 2.565 0.401 5.895 1.00 0.00 N ATOM 190 CA GLU A 15 2.765 -0.207 7.205 1.00 0.00 C ATOM 191 C GLU A 15 1.510 -0.949 7.657 1.00 0.00 C ATOM 192 O GLU A 15 1.592 -2.028 8.243 1.00 0.00 O ATOM 193 CB GLU A 15 3.140 0.859 8.235 1.00 0.00 C ATOM 194 CG GLU A 15 4.561 1.376 8.087 1.00 0.00 C ATOM 195 CD GLU A 15 4.990 2.246 9.252 1.00 0.00 C ATOM 196 OE1 GLU A 15 4.541 3.409 9.321 1.00 0.00 O ATOM 197 OE2 GLU A 15 5.775 1.764 10.095 1.00 0.00 O ATOM 0 H GLU A 15 2.859 1.376 5.833 1.00 0.00 H new ATOM 0 HA GLU A 15 3.581 -0.925 7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.447 1.696 8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.015 0.445 9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.244 0.531 7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.641 1.948 7.163 1.00 0.00 H new ATOM 204 N CYS A 16 0.351 -0.361 7.382 1.00 0.00 N ATOM 205 CA CYS A 16 -0.922 -0.964 7.762 1.00 0.00 C ATOM 206 C CYS A 16 -0.896 -2.473 7.540 1.00 0.00 C ATOM 207 O CYS A 16 -1.122 -3.251 8.467 1.00 0.00 O ATOM 208 CB CYS A 16 -2.065 -0.337 6.963 1.00 0.00 C ATOM 209 SG CYS A 16 -3.711 -0.717 7.608 1.00 0.00 S ATOM 0 H CYS A 16 0.266 0.533 6.897 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.084 -0.774 8.823 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.933 0.745 6.948 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.003 -0.680 5.930 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.611 -0.141 6.868 1.00 0.00 H new ATOM 215 N ILE A 17 -0.621 -2.879 6.305 1.00 0.00 N ATOM 216 CA ILE A 17 -0.568 -4.293 5.960 1.00 0.00 C ATOM 217 C ILE A 17 0.716 -4.936 6.476 1.00 0.00 C ATOM 218 O ILE A 17 1.805 -4.390 6.310 1.00 0.00 O ATOM 219 CB ILE A 17 -0.660 -4.508 4.439 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.381 -3.649 3.717 1.00 0.00 C ATOM 221 CG2 ILE A 17 -2.060 -4.181 3.941 1.00 0.00 C ATOM 222 CD1 ILE A 17 0.837 -4.233 2.398 1.00 0.00 C ATOM 0 H ILE A 17 -0.431 -2.248 5.527 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.427 -4.765 6.436 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.454 -5.556 4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.037 -2.658 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.247 -3.519 4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.109 -4.338 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.783 -4.830 4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.293 -3.140 4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.574 -3.571 1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.285 -5.212 2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.019 -4.337 1.731 1.00 0.00 H new ATOM 234 N ASN A 18 0.578 -6.101 7.102 1.00 0.00 N ATOM 235 CA ASN A 18 1.726 -6.819 7.641 1.00 0.00 C ATOM 236 C ASN A 18 2.731 -7.145 6.539 1.00 0.00 C ATOM 237 O ASN A 18 2.374 -7.228 5.363 1.00 0.00 O ATOM 238 CB ASN A 18 1.272 -8.108 8.329 1.00 0.00 C ATOM 239 CG ASN A 18 0.087 -8.748 7.632 1.00 0.00 C ATOM 240 OD1 ASN A 18 0.252 -9.520 6.687 1.00 0.00 O ATOM 241 ND2 ASN A 18 -1.115 -8.431 8.097 1.00 0.00 N ATOM 0 H ASN A 18 -0.318 -6.567 7.248 1.00 0.00 H new ATOM 0 HA ASN A 18 2.213 -6.176 8.374 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.101 -8.815 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.008 -7.891 9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.949 -8.832 7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.204 -7.787 8.883 1.00 0.00 H new ATOM 248 N LYS A 19 3.988 -7.330 6.928 1.00 0.00 N ATOM 249 CA LYS A 19 5.044 -7.648 5.975 1.00 0.00 C ATOM 250 C LYS A 19 4.588 -8.727 4.997 1.00 0.00 C ATOM 251 O LYS A 19 4.808 -8.618 3.790 1.00 0.00 O ATOM 252 CB LYS A 19 6.302 -8.114 6.713 1.00 0.00 C ATOM 253 CG LYS A 19 7.382 -8.656 5.793 1.00 0.00 C ATOM 254 CD LYS A 19 8.214 -7.537 5.189 1.00 0.00 C ATOM 255 CE LYS A 19 8.974 -8.009 3.958 1.00 0.00 C ATOM 256 NZ LYS A 19 10.096 -8.920 4.314 1.00 0.00 N ATOM 0 H LYS A 19 4.300 -7.265 7.897 1.00 0.00 H new ATOM 0 HA LYS A 19 5.274 -6.744 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.708 -7.279 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.027 -8.887 7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.030 -9.332 6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.922 -9.240 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.565 -6.704 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.919 -7.164 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.289 -8.523 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.364 -7.146 3.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.588 -9.219 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.763 -8.422 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.721 -9.756 4.806 1.00 0.00 H new ATOM 270 N HIS A 20 3.950 -9.766 5.525 1.00 0.00 N ATOM 271 CA HIS A 20 3.461 -10.864 4.698 1.00 0.00 C ATOM 272 C HIS A 20 2.850 -10.337 3.403 1.00 0.00 C ATOM 273 O HIS A 20 3.341 -10.626 2.311 1.00 0.00 O ATOM 274 CB HIS A 20 2.427 -11.688 5.466 1.00 0.00 C ATOM 275 CG HIS A 20 1.525 -12.491 4.582 1.00 0.00 C ATOM 276 ND1 HIS A 20 1.992 -13.322 3.585 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.175 -12.589 4.548 1.00 0.00 C ATOM 278 CE1 HIS A 20 0.969 -13.895 2.977 1.00 0.00 C ATOM 279 NE2 HIS A 20 -0.145 -13.467 3.542 1.00 0.00 N ATOM 0 H HIS A 20 3.759 -9.871 6.521 1.00 0.00 H new ATOM 0 HA HIS A 20 4.308 -11.502 4.446 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.945 -12.361 6.149 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.822 -11.018 6.077 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.521 -12.072 5.192 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.033 -14.595 2.157 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.090 -13.744 3.275 1.00 0.00 H new ATOM 288 N TYR A 21 1.776 -9.566 3.533 1.00 0.00 N ATOM 289 CA TYR A 21 1.096 -9.002 2.372 1.00 0.00 C ATOM 290 C TYR A 21 2.000 -8.018 1.636 1.00 0.00 C ATOM 291 O TYR A 21 2.086 -8.036 0.407 1.00 0.00 O ATOM 292 CB TYR A 21 -0.194 -8.303 2.802 1.00 0.00 C ATOM 293 CG TYR A 21 -1.343 -9.253 3.058 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.822 -10.081 2.050 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.948 -9.324 4.307 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.871 -10.951 2.279 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.996 -10.191 4.545 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.454 -11.002 3.528 1.00 0.00 C ATOM 299 OH TYR A 21 -4.499 -11.867 3.761 1.00 0.00 O ATOM 0 H TYR A 21 1.358 -9.317 4.429 1.00 0.00 H new ATOM 0 HA TYR A 21 0.851 -9.819 1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.001 -7.728 3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.487 -7.592 2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.367 -10.044 1.071 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.592 -8.690 5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.232 -11.587 1.485 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.454 -10.234 5.522 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.795 -11.780 4.691 1.00 0.00 H new ATOM 309 N PHE A 22 2.673 -7.160 2.396 1.00 0.00 N ATOM 310 CA PHE A 22 3.571 -6.168 1.816 1.00 0.00 C ATOM 311 C PHE A 22 4.411 -6.780 0.699 1.00 0.00 C ATOM 312 O PHE A 22 4.570 -6.189 -0.368 1.00 0.00 O ATOM 313 CB PHE A 22 4.484 -5.585 2.896 1.00 0.00 C ATOM 314 CG PHE A 22 5.402 -4.509 2.388 1.00 0.00 C ATOM 315 CD1 PHE A 22 4.908 -3.458 1.634 1.00 0.00 C ATOM 316 CD2 PHE A 22 6.759 -4.551 2.664 1.00 0.00 C ATOM 317 CE1 PHE A 22 5.748 -2.466 1.165 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.605 -3.563 2.198 1.00 0.00 C ATOM 319 CZ PHE A 22 7.099 -2.519 1.447 1.00 0.00 C ATOM 0 H PHE A 22 2.614 -7.132 3.414 1.00 0.00 H new ATOM 0 HA PHE A 22 2.964 -5.368 1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.870 -5.178 3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.082 -6.388 3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.853 -3.413 1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.160 -5.365 3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.349 -1.651 0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.661 -3.607 2.420 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.759 -1.746 1.081 1.00 0.00 H new ATOM 329 N SER A 23 4.946 -7.969 0.955 1.00 0.00 N ATOM 330 CA SER A 23 5.775 -8.661 -0.027 1.00 0.00 C ATOM 331 C SER A 23 5.097 -8.676 -1.394 1.00 0.00 C ATOM 332 O SER A 23 5.744 -8.471 -2.422 1.00 0.00 O ATOM 333 CB SER A 23 6.057 -10.093 0.431 1.00 0.00 C ATOM 334 OG SER A 23 6.955 -10.744 -0.451 1.00 0.00 O ATOM 0 H SER A 23 4.821 -8.474 1.833 1.00 0.00 H new ATOM 0 HA SER A 23 6.719 -8.123 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.476 -10.080 1.437 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.123 -10.652 0.482 1.00 0.00 H new ATOM 0 HG SER A 23 7.120 -11.657 -0.135 1.00 0.00 H new ATOM 340 N LEU A 24 3.792 -8.922 -1.398 1.00 0.00 N ATOM 341 CA LEU A 24 3.026 -8.964 -2.638 1.00 0.00 C ATOM 342 C LEU A 24 2.931 -7.579 -3.269 1.00 0.00 C ATOM 343 O LEU A 24 2.953 -7.438 -4.491 1.00 0.00 O ATOM 344 CB LEU A 24 1.623 -9.514 -2.375 1.00 0.00 C ATOM 345 CG LEU A 24 1.534 -11.008 -2.059 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.628 -11.242 -0.559 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.245 -11.595 -2.613 1.00 0.00 C ATOM 0 H LEU A 24 3.242 -9.095 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 24 3.545 -9.624 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.188 -8.961 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.005 -9.311 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 24 2.373 -11.512 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.563 -12.310 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.579 -10.858 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.809 -10.725 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.199 -12.659 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.609 -11.087 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.219 -11.460 -3.694 1.00 0.00 H new ATOM 359 N PHE A 25 2.828 -6.557 -2.425 1.00 0.00 N ATOM 360 CA PHE A 25 2.733 -5.181 -2.899 1.00 0.00 C ATOM 361 C PHE A 25 3.973 -4.794 -3.699 1.00 0.00 C ATOM 362 O PHE A 25 3.872 -4.218 -4.783 1.00 0.00 O ATOM 363 CB PHE A 25 2.555 -4.223 -1.718 1.00 0.00 C ATOM 364 CG PHE A 25 2.220 -2.819 -2.131 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.083 -2.554 -2.876 1.00 0.00 C ATOM 366 CD2 PHE A 25 3.044 -1.763 -1.775 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.772 -1.262 -3.257 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.738 -0.469 -2.152 1.00 0.00 C ATOM 369 CZ PHE A 25 1.601 -0.219 -2.895 1.00 0.00 C ATOM 0 H PHE A 25 2.808 -6.656 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 25 1.863 -5.108 -3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.764 -4.601 -1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.472 -4.211 -1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.432 -3.366 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.936 -1.954 -1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.118 -1.069 -3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.387 0.345 -1.866 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.361 0.791 -3.192 1.00 0.00 H new ATOM 379 N LYS A 26 5.143 -5.114 -3.157 1.00 0.00 N ATOM 380 CA LYS A 26 6.404 -4.801 -3.819 1.00 0.00 C ATOM 381 C LYS A 26 6.461 -5.434 -5.206 1.00 0.00 C ATOM 382 O LYS A 26 6.996 -4.845 -6.146 1.00 0.00 O ATOM 383 CB LYS A 26 7.582 -5.291 -2.975 1.00 0.00 C ATOM 384 CG LYS A 26 8.031 -4.294 -1.920 1.00 0.00 C ATOM 385 CD LYS A 26 9.098 -4.883 -1.013 1.00 0.00 C ATOM 386 CE LYS A 26 8.508 -5.896 -0.045 1.00 0.00 C ATOM 387 NZ LYS A 26 9.565 -6.682 0.649 1.00 0.00 N ATOM 0 H LYS A 26 5.244 -5.590 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 26 6.469 -3.719 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.304 -6.225 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.422 -5.514 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.419 -3.399 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.174 -3.985 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.868 -5.362 -1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.584 -4.083 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.896 -5.378 0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.848 -6.574 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.231 -7.655 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.425 -6.698 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.778 -6.242 1.567 1.00 0.00 H new ATOM 401 N SER A 27 5.907 -6.636 -5.328 1.00 0.00 N ATOM 402 CA SER A 27 5.897 -7.349 -6.599 1.00 0.00 C ATOM 403 C SER A 27 5.101 -6.579 -7.648 1.00 0.00 C ATOM 404 O SER A 27 5.533 -6.440 -8.794 1.00 0.00 O ATOM 405 CB SER A 27 5.306 -8.748 -6.419 1.00 0.00 C ATOM 406 OG SER A 27 5.556 -9.557 -7.555 1.00 0.00 O ATOM 0 H SER A 27 5.459 -7.137 -4.561 1.00 0.00 H new ATOM 0 HA SER A 27 6.927 -7.440 -6.944 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.735 -9.216 -5.533 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.232 -8.674 -6.251 1.00 0.00 H new ATOM 0 HG SER A 27 5.170 -10.447 -7.415 1.00 0.00 H new ATOM 412 N LEU A 28 3.937 -6.079 -7.248 1.00 0.00 N ATOM 413 CA LEU A 28 3.079 -5.322 -8.154 1.00 0.00 C ATOM 414 C LEU A 28 3.739 -4.010 -8.560 1.00 0.00 C ATOM 415 O LEU A 28 3.512 -3.502 -9.659 1.00 0.00 O ATOM 416 CB LEU A 28 1.728 -5.042 -7.491 1.00 0.00 C ATOM 417 CG LEU A 28 1.029 -6.246 -6.858 1.00 0.00 C ATOM 418 CD1 LEU A 28 -0.101 -5.790 -5.949 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.504 -7.185 -7.934 1.00 0.00 C ATOM 0 H LEU A 28 3.566 -6.184 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 28 2.921 -5.921 -9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.874 -4.285 -6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.061 -4.612 -8.238 1.00 0.00 H new ATOM 0 HG LEU A 28 1.757 -6.788 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.587 -6.660 -5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.301 -5.158 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.829 -5.224 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.010 -8.036 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.209 -6.654 -8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.335 -7.539 -8.545 1.00 0.00 H new ATOM 431 N LEU A 29 4.561 -3.465 -7.669 1.00 0.00 N ATOM 432 CA LEU A 29 5.258 -2.212 -7.935 1.00 0.00 C ATOM 433 C LEU A 29 6.595 -2.468 -8.621 1.00 0.00 C ATOM 434 O LEU A 29 7.116 -1.607 -9.330 1.00 0.00 O ATOM 435 CB LEU A 29 5.479 -1.441 -6.632 1.00 0.00 C ATOM 436 CG LEU A 29 4.335 -0.528 -6.190 1.00 0.00 C ATOM 437 CD1 LEU A 29 4.022 0.496 -7.269 1.00 0.00 C ATOM 438 CD2 LEU A 29 3.098 -1.348 -5.854 1.00 0.00 C ATOM 0 H LEU A 29 4.761 -3.872 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 29 4.637 -1.614 -8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.671 -2.160 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.379 -0.836 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 29 4.647 0.006 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.205 1.137 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.906 1.104 -7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.730 -0.018 -8.185 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.294 -0.682 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.783 -1.909 -6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.330 -2.041 -5.046 1.00 0.00 H new ATOM 450 N ALA A 30 7.145 -3.659 -8.408 1.00 0.00 N ATOM 451 CA ALA A 30 8.420 -4.030 -9.010 1.00 0.00 C ATOM 452 C ALA A 30 8.585 -3.392 -10.385 1.00 0.00 C ATOM 453 O ALA A 30 9.595 -2.746 -10.663 1.00 0.00 O ATOM 454 CB ALA A 30 8.535 -5.544 -9.111 1.00 0.00 C ATOM 0 H ALA A 30 6.728 -4.383 -7.823 1.00 0.00 H new ATOM 0 HA ALA A 30 9.218 -3.658 -8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.492 -5.807 -9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.472 -5.981 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.724 -5.930 -9.729 1.00 0.00 H new ATOM 460 N ARG A 31 7.586 -3.578 -11.242 1.00 0.00 N ATOM 461 CA ARG A 31 7.621 -3.021 -12.588 1.00 0.00 C ATOM 462 C ARG A 31 7.721 -1.499 -12.546 1.00 0.00 C ATOM 463 O ARG A 31 8.619 -0.908 -13.147 1.00 0.00 O ATOM 464 CB ARG A 31 6.374 -3.439 -13.370 1.00 0.00 C ATOM 465 CG ARG A 31 5.158 -3.681 -12.491 1.00 0.00 C ATOM 466 CD ARG A 31 5.062 -5.137 -12.059 1.00 0.00 C ATOM 467 NE ARG A 31 4.329 -5.946 -13.029 1.00 0.00 N ATOM 468 CZ ARG A 31 4.428 -7.269 -13.105 1.00 0.00 C ATOM 469 NH1 ARG A 31 5.225 -7.926 -12.274 1.00 0.00 N ATOM 470 NH2 ARG A 31 3.729 -7.937 -14.014 1.00 0.00 N ATOM 0 H ARG A 31 6.743 -4.110 -11.027 1.00 0.00 H new ATOM 0 HA ARG A 31 8.505 -3.412 -13.091 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.136 -2.665 -14.100 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.594 -4.348 -13.930 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.212 -3.042 -11.610 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.255 -3.401 -13.033 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.065 -5.544 -11.931 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.567 -5.196 -11.089 1.00 0.00 H new ATOM 0 HE ARG A 31 3.708 -5.470 -13.683 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.764 -7.416 -11.574 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.299 -8.942 -12.334 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.115 -7.435 -14.655 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.806 -8.952 -14.071 1.00 0.00 H new ATOM 484 N ASP A 32 6.792 -0.870 -11.833 1.00 0.00 N ATOM 485 CA ASP A 32 6.776 0.583 -11.711 1.00 0.00 C ATOM 486 C ASP A 32 8.065 1.090 -11.072 1.00 0.00 C ATOM 487 O ASP A 32 8.832 1.826 -11.696 1.00 0.00 O ATOM 488 CB ASP A 32 5.571 1.033 -10.883 1.00 0.00 C ATOM 489 CG ASP A 32 4.320 1.198 -11.724 1.00 0.00 C ATOM 490 OD1 ASP A 32 3.762 0.173 -12.165 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.901 2.355 -11.942 1.00 0.00 O ATOM 0 H ASP A 32 6.041 -1.344 -11.331 1.00 0.00 H new ATOM 0 HA ASP A 32 6.698 1.006 -12.713 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.382 0.304 -10.095 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.803 1.979 -10.393 1.00 0.00 H new ATOM 496 N LEU A 33 8.298 0.693 -9.826 1.00 0.00 N ATOM 497 CA LEU A 33 9.494 1.107 -9.102 1.00 0.00 C ATOM 498 C LEU A 33 10.730 0.389 -9.636 1.00 0.00 C ATOM 499 O LEU A 33 11.833 0.567 -9.121 1.00 0.00 O ATOM 500 CB LEU A 33 9.333 0.826 -7.607 1.00 0.00 C ATOM 501 CG LEU A 33 8.135 1.488 -6.926 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.982 0.979 -5.502 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.282 3.003 -6.940 1.00 0.00 C ATOM 0 H LEU A 33 7.674 0.085 -9.296 1.00 0.00 H new ATOM 0 HA LEU A 33 9.626 2.179 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.256 -0.252 -7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.240 1.150 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 33 7.235 1.226 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.124 1.461 -5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.829 -0.100 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.883 1.210 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.420 3.457 -6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.191 3.285 -6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.341 3.353 -7.970 1.00 0.00 H new ATOM 515 N ASN A 34 10.537 -0.422 -10.670 1.00 0.00 N ATOM 516 CA ASN A 34 11.635 -1.166 -11.275 1.00 0.00 C ATOM 517 C ASN A 34 12.489 -1.840 -10.204 1.00 0.00 C ATOM 518 O ASN A 34 13.718 -1.847 -10.289 1.00 0.00 O ATOM 519 CB ASN A 34 12.503 -0.235 -12.123 1.00 0.00 C ATOM 520 CG ASN A 34 11.814 0.188 -13.407 1.00 0.00 C ATOM 521 OD1 ASN A 34 10.909 -0.491 -13.891 1.00 0.00 O ATOM 522 ND2 ASN A 34 12.240 1.316 -13.963 1.00 0.00 N ATOM 0 H ASN A 34 9.629 -0.581 -11.107 1.00 0.00 H new ATOM 0 HA ASN A 34 11.209 -1.938 -11.916 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.757 0.651 -11.541 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.440 -0.736 -12.365 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.814 1.652 -14.827 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.994 1.847 -13.526 1.00 0.00 H new ATOM 529 N LEU A 35 11.830 -2.405 -9.200 1.00 0.00 N ATOM 530 CA LEU A 35 12.528 -3.084 -8.113 1.00 0.00 C ATOM 531 C LEU A 35 13.403 -4.213 -8.648 1.00 0.00 C ATOM 532 O LEU A 35 13.410 -4.489 -9.846 1.00 0.00 O ATOM 533 CB LEU A 35 11.522 -3.638 -7.102 1.00 0.00 C ATOM 534 CG LEU A 35 10.552 -2.623 -6.496 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.524 -3.325 -5.622 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.308 -1.573 -5.695 1.00 0.00 C ATOM 0 H LEU A 35 10.814 -2.407 -9.115 1.00 0.00 H new ATOM 0 HA LEU A 35 13.170 -2.356 -7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.940 -4.420 -7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.075 -4.111 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 35 10.027 -2.121 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.842 -2.588 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.960 -4.037 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.032 -3.854 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.601 -0.860 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.861 -2.058 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.005 -1.049 -6.349 1.00 0.00 H new ATOM 548 N GLU A 36 14.138 -4.861 -7.749 1.00 0.00 N ATOM 549 CA GLU A 36 15.016 -5.961 -8.132 1.00 0.00 C ATOM 550 C GLU A 36 14.205 -7.187 -8.541 1.00 0.00 C ATOM 551 O GLU A 36 13.010 -7.276 -8.258 1.00 0.00 O ATOM 552 CB GLU A 36 15.954 -6.318 -6.978 1.00 0.00 C ATOM 553 CG GLU A 36 17.264 -5.547 -6.998 1.00 0.00 C ATOM 554 CD GLU A 36 18.345 -6.253 -7.794 1.00 0.00 C ATOM 555 OE1 GLU A 36 18.439 -7.495 -7.694 1.00 0.00 O ATOM 556 OE2 GLU A 36 19.096 -5.566 -8.516 1.00 0.00 O ATOM 0 H GLU A 36 14.143 -4.644 -6.752 1.00 0.00 H new ATOM 0 HA GLU A 36 15.610 -5.638 -8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.444 -6.127 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.170 -7.386 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.093 -4.558 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.610 -5.399 -5.975 1.00 0.00 H new ATOM 563 N ARG A 37 14.863 -8.129 -9.207 1.00 0.00 N ATOM 564 CA ARG A 37 14.203 -9.350 -9.657 1.00 0.00 C ATOM 565 C ARG A 37 14.071 -10.349 -8.511 1.00 0.00 C ATOM 566 O ARG A 37 13.115 -11.125 -8.458 1.00 0.00 O ATOM 567 CB ARG A 37 14.984 -9.981 -10.810 1.00 0.00 C ATOM 568 CG ARG A 37 16.431 -10.297 -10.467 1.00 0.00 C ATOM 569 CD ARG A 37 16.966 -11.444 -11.310 1.00 0.00 C ATOM 570 NE ARG A 37 17.581 -10.973 -12.549 1.00 0.00 N ATOM 571 CZ ARG A 37 16.897 -10.725 -13.659 1.00 0.00 C ATOM 572 NH1 ARG A 37 15.582 -10.901 -13.687 1.00 0.00 N ATOM 573 NH2 ARG A 37 17.527 -10.299 -14.746 1.00 0.00 N ATOM 0 H ARG A 37 15.853 -8.071 -9.447 1.00 0.00 H new ATOM 0 HA ARG A 37 13.204 -9.087 -10.005 1.00 0.00 H new ATOM 0 HB2 ARG A 37 14.484 -10.900 -11.116 1.00 0.00 H new ATOM 0 HB3 ARG A 37 14.962 -9.305 -11.665 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.045 -9.411 -10.625 1.00 0.00 H new ATOM 0 HG3 ARG A 37 16.508 -10.554 -9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.699 -12.007 -10.733 1.00 0.00 H new ATOM 0 HD3 ARG A 37 16.153 -12.130 -11.547 1.00 0.00 H new ATOM 0 HE ARG A 37 18.590 -10.827 -12.561 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.093 -11.228 -12.853 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.060 -10.709 -14.542 1.00 0.00 H new ATOM 0 HH21 ARG A 37 18.538 -10.162 -14.729 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.001 -10.109 -15.599 1.00 0.00 H new ATOM 587 N ASP A 38 15.036 -10.326 -7.598 1.00 0.00 N ATOM 588 CA ASP A 38 15.026 -11.230 -6.453 1.00 0.00 C ATOM 589 C ASP A 38 15.204 -10.458 -5.150 1.00 0.00 C ATOM 590 O ASP A 38 14.710 -10.869 -4.102 1.00 0.00 O ATOM 591 CB ASP A 38 16.132 -12.277 -6.594 1.00 0.00 C ATOM 592 CG ASP A 38 15.741 -13.410 -7.522 1.00 0.00 C ATOM 593 OD1 ASP A 38 15.229 -13.124 -8.626 1.00 0.00 O ATOM 594 OD2 ASP A 38 15.944 -14.584 -7.147 1.00 0.00 O ATOM 0 H ASP A 38 15.834 -9.692 -7.628 1.00 0.00 H new ATOM 0 HA ASP A 38 14.060 -11.734 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.036 -11.798 -6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.372 -12.683 -5.611 1.00 0.00 H new ATOM 599 N ASN A 39 15.915 -9.337 -5.224 1.00 0.00 N ATOM 600 CA ASN A 39 16.159 -8.508 -4.050 1.00 0.00 C ATOM 601 C ASN A 39 14.955 -7.617 -3.752 1.00 0.00 C ATOM 602 O ASN A 39 15.105 -6.429 -3.472 1.00 0.00 O ATOM 603 CB ASN A 39 17.405 -7.645 -4.259 1.00 0.00 C ATOM 604 CG ASN A 39 18.685 -8.388 -3.928 1.00 0.00 C ATOM 605 OD1 ASN A 39 19.517 -8.634 -4.800 1.00 0.00 O ATOM 606 ND2 ASN A 39 18.847 -8.750 -2.660 1.00 0.00 N ATOM 0 H ASN A 39 16.332 -8.982 -6.085 1.00 0.00 H new ATOM 0 HA ASN A 39 16.320 -9.168 -3.198 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.441 -7.309 -5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.334 -6.753 -3.636 1.00 0.00 H new ATOM 0 HD21 ASN A 39 19.688 -9.253 -2.377 1.00 0.00 H new ATOM 0 HD22 ASN A 39 18.131 -8.525 -1.970 1.00 0.00 H new ATOM 613 N GLN A 40 13.764 -8.203 -3.815 1.00 0.00 N ATOM 614 CA GLN A 40 12.535 -7.463 -3.551 1.00 0.00 C ATOM 615 C GLN A 40 12.209 -7.461 -2.061 1.00 0.00 C ATOM 616 O GLN A 40 11.757 -6.455 -1.517 1.00 0.00 O ATOM 617 CB GLN A 40 11.372 -8.068 -4.339 1.00 0.00 C ATOM 618 CG GLN A 40 11.191 -7.460 -5.720 1.00 0.00 C ATOM 619 CD GLN A 40 10.119 -8.161 -6.531 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.122 -8.634 -5.986 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.320 -8.232 -7.841 1.00 0.00 N ATOM 0 H GLN A 40 13.624 -9.186 -4.046 1.00 0.00 H new ATOM 0 HA GLN A 40 12.685 -6.432 -3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.533 -9.141 -4.442 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.452 -7.937 -3.770 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.933 -6.406 -5.618 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.137 -7.505 -6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.161 -7.826 -8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.633 -8.693 -8.438 1.00 0.00 H new ATOM 630 N GLU A 41 12.442 -8.596 -1.408 1.00 0.00 N ATOM 631 CA GLU A 41 12.171 -8.724 0.019 1.00 0.00 C ATOM 632 C GLU A 41 13.116 -7.844 0.833 1.00 0.00 C ATOM 633 O GLU A 41 12.695 -7.168 1.771 1.00 0.00 O ATOM 634 CB GLU A 41 12.312 -10.184 0.458 1.00 0.00 C ATOM 635 CG GLU A 41 13.709 -10.747 0.261 1.00 0.00 C ATOM 636 CD GLU A 41 13.746 -12.260 0.352 1.00 0.00 C ATOM 637 OE1 GLU A 41 13.924 -12.784 1.472 1.00 0.00 O ATOM 638 OE2 GLU A 41 13.595 -12.921 -0.697 1.00 0.00 O ATOM 0 H GLU A 41 12.817 -9.438 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 41 11.148 -8.394 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.042 -10.266 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.602 -10.793 -0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.088 -10.436 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.376 -10.325 1.013 1.00 0.00 H new ATOM 645 N GLN A 42 14.393 -7.860 0.466 1.00 0.00 N ATOM 646 CA GLN A 42 15.397 -7.065 1.163 1.00 0.00 C ATOM 647 C GLN A 42 14.896 -5.644 1.404 1.00 0.00 C ATOM 648 O GLN A 42 15.322 -4.975 2.346 1.00 0.00 O ATOM 649 CB GLN A 42 16.699 -7.029 0.360 1.00 0.00 C ATOM 650 CG GLN A 42 16.563 -6.337 -0.986 1.00 0.00 C ATOM 651 CD GLN A 42 17.852 -5.676 -1.435 1.00 0.00 C ATOM 652 OE1 GLN A 42 18.910 -5.886 -0.842 1.00 0.00 O ATOM 653 NE2 GLN A 42 17.770 -4.872 -2.488 1.00 0.00 N ATOM 0 H GLN A 42 14.757 -8.414 -0.309 1.00 0.00 H new ATOM 0 HA GLN A 42 15.587 -7.533 2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.464 -6.519 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 42 17.047 -8.050 0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.253 -7.065 -1.735 1.00 0.00 H new ATOM 0 HG3 GLN A 42 15.775 -5.586 -0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.872 -4.726 -2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.605 -4.400 -2.835 1.00 0.00 H new ATOM 662 N TYR A 43 13.988 -5.189 0.546 1.00 0.00 N ATOM 663 CA TYR A 43 13.431 -3.848 0.664 1.00 0.00 C ATOM 664 C TYR A 43 12.462 -3.761 1.840 1.00 0.00 C ATOM 665 O TYR A 43 12.009 -4.779 2.363 1.00 0.00 O ATOM 666 CB TYR A 43 12.716 -3.455 -0.630 1.00 0.00 C ATOM 667 CG TYR A 43 13.655 -3.023 -1.733 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.407 -1.860 -1.617 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.789 -3.776 -2.893 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.265 -1.461 -2.623 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.646 -3.387 -3.904 1.00 0.00 C ATOM 672 CZ TYR A 43 15.382 -2.228 -3.764 1.00 0.00 C ATOM 673 OH TYR A 43 16.236 -1.835 -4.769 1.00 0.00 O ATOM 0 H TYR A 43 13.623 -5.730 -0.238 1.00 0.00 H new ATOM 0 HA TYR A 43 14.253 -3.155 0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.123 -4.301 -0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.020 -2.644 -0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.319 -1.258 -0.725 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.212 -4.682 -3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.841 -0.554 -2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.739 -3.986 -4.798 1.00 0.00 H new ATOM 0 HH TYR A 43 16.201 -2.486 -5.501 1.00 0.00 H new ATOM 683 N THR A 44 12.149 -2.536 2.251 1.00 0.00 N ATOM 684 CA THR A 44 11.236 -2.313 3.364 1.00 0.00 C ATOM 685 C THR A 44 10.253 -1.190 3.053 1.00 0.00 C ATOM 686 O THR A 44 10.508 -0.348 2.193 1.00 0.00 O ATOM 687 CB THR A 44 11.999 -1.970 4.657 1.00 0.00 C ATOM 688 OG1 THR A 44 12.665 -0.710 4.511 1.00 0.00 O ATOM 689 CG2 THR A 44 13.016 -3.051 4.990 1.00 0.00 C ATOM 0 H THR A 44 12.515 -1.683 1.829 1.00 0.00 H new ATOM 0 HA THR A 44 10.686 -3.242 3.512 1.00 0.00 H new ATOM 0 HB THR A 44 11.279 -1.909 5.473 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.147 -0.497 5.337 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.542 -2.786 5.907 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.503 -4.003 5.128 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.733 -3.140 4.174 1.00 0.00 H new ATOM 697 N THR A 45 9.127 -1.183 3.760 1.00 0.00 N ATOM 698 CA THR A 45 8.105 -0.164 3.560 1.00 0.00 C ATOM 699 C THR A 45 8.728 1.222 3.430 1.00 0.00 C ATOM 700 O THR A 45 8.248 2.059 2.664 1.00 0.00 O ATOM 701 CB THR A 45 7.089 -0.150 4.717 1.00 0.00 C ATOM 702 OG1 THR A 45 7.765 0.074 5.960 1.00 0.00 O ATOM 703 CG2 THR A 45 6.324 -1.464 4.781 1.00 0.00 C ATOM 0 H THR A 45 8.900 -1.872 4.477 1.00 0.00 H new ATOM 0 HA THR A 45 7.587 -0.416 2.635 1.00 0.00 H new ATOM 0 HB THR A 45 6.379 0.658 4.538 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.112 0.083 6.691 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.612 -1.431 5.606 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.788 -1.619 3.845 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.024 -2.285 4.938 1.00 0.00 H new ATOM 711 N ILE A 46 9.798 1.456 4.180 1.00 0.00 N ATOM 712 CA ILE A 46 10.488 2.740 4.147 1.00 0.00 C ATOM 713 C ILE A 46 11.070 3.015 2.764 1.00 0.00 C ATOM 714 O ILE A 46 10.593 3.890 2.043 1.00 0.00 O ATOM 715 CB ILE A 46 11.621 2.798 5.189 1.00 0.00 C ATOM 716 CG1 ILE A 46 11.042 2.756 6.605 1.00 0.00 C ATOM 717 CG2 ILE A 46 12.459 4.052 4.991 1.00 0.00 C ATOM 718 CD1 ILE A 46 10.142 3.929 6.926 1.00 0.00 C ATOM 0 H ILE A 46 10.207 0.774 4.818 1.00 0.00 H new ATOM 0 HA ILE A 46 9.747 3.503 4.386 1.00 0.00 H new ATOM 0 HB ILE A 46 12.265 1.929 5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.479 1.831 6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.862 2.730 7.323 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.255 4.079 5.735 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.895 4.044 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.827 4.933 5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.768 3.833 7.945 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.706 4.857 6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.302 3.944 6.231 1.00 0.00 H new ATOM 730 N GLN A 47 12.103 2.260 2.402 1.00 0.00 N ATOM 731 CA GLN A 47 12.749 2.424 1.105 1.00 0.00 C ATOM 732 C GLN A 47 11.718 2.434 -0.019 1.00 0.00 C ATOM 733 O GLN A 47 11.784 3.262 -0.927 1.00 0.00 O ATOM 734 CB GLN A 47 13.764 1.303 0.873 1.00 0.00 C ATOM 735 CG GLN A 47 14.882 1.271 1.902 1.00 0.00 C ATOM 736 CD GLN A 47 16.126 0.573 1.390 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.854 1.110 0.554 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.378 -0.631 1.890 1.00 0.00 N ATOM 0 H GLN A 47 12.510 1.530 2.987 1.00 0.00 H new ATOM 0 HA GLN A 47 13.269 3.382 1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.244 0.345 0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.199 1.418 -0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.135 2.291 2.190 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.529 0.764 2.800 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.748 -1.038 2.581 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.202 -1.148 1.583 1.00 0.00 H new ATOM 747 N ILE A 48 10.767 1.508 0.048 1.00 0.00 N ATOM 748 CA ILE A 48 9.723 1.412 -0.963 1.00 0.00 C ATOM 749 C ILE A 48 8.863 2.671 -0.988 1.00 0.00 C ATOM 750 O ILE A 48 8.477 3.151 -2.053 1.00 0.00 O ATOM 751 CB ILE A 48 8.817 0.190 -0.723 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.646 -1.096 -0.724 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.725 0.123 -1.781 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.341 -1.365 -2.040 1.00 0.00 C ATOM 0 H ILE A 48 10.699 0.814 0.792 1.00 0.00 H new ATOM 0 HA ILE A 48 10.225 1.299 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 48 8.344 0.294 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.393 -1.038 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.996 -1.938 -0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.093 -0.746 -1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.119 1.028 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.179 0.039 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.910 -2.292 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.598 -1.456 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.017 -0.541 -2.269 1.00 0.00 H new ATOM 766 N ALA A 49 8.568 3.202 0.194 1.00 0.00 N ATOM 767 CA ALA A 49 7.758 4.408 0.309 1.00 0.00 C ATOM 768 C ALA A 49 8.390 5.569 -0.451 1.00 0.00 C ATOM 769 O ALA A 49 7.848 6.037 -1.450 1.00 0.00 O ATOM 770 CB ALA A 49 7.562 4.775 1.772 1.00 0.00 C ATOM 0 H ALA A 49 8.878 2.816 1.086 1.00 0.00 H new ATOM 0 HA ALA A 49 6.784 4.205 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.955 5.678 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.058 3.958 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.532 4.953 2.236 1.00 0.00 H new ATOM 776 N ASN A 50 9.539 6.029 0.032 1.00 0.00 N ATOM 777 CA ASN A 50 10.245 7.137 -0.602 1.00 0.00 C ATOM 778 C ASN A 50 10.108 7.072 -2.120 1.00 0.00 C ATOM 779 O ASN A 50 9.790 8.069 -2.767 1.00 0.00 O ATOM 780 CB ASN A 50 11.724 7.118 -0.211 1.00 0.00 C ATOM 781 CG ASN A 50 11.945 7.523 1.234 1.00 0.00 C ATOM 782 OD1 ASN A 50 12.160 8.697 1.534 1.00 0.00 O ATOM 783 ND2 ASN A 50 11.895 6.550 2.136 1.00 0.00 N ATOM 0 H ASN A 50 10.001 5.652 0.860 1.00 0.00 H new ATOM 0 HA ASN A 50 9.796 8.067 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.126 6.118 -0.371 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.278 7.793 -0.863 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.038 6.762 3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.714 5.590 1.842 1.00 0.00 H new ATOM 790 N MET A 51 10.349 5.893 -2.680 1.00 0.00 N ATOM 791 CA MET A 51 10.251 5.697 -4.122 1.00 0.00 C ATOM 792 C MET A 51 8.854 6.048 -4.625 1.00 0.00 C ATOM 793 O MET A 51 8.701 6.715 -5.647 1.00 0.00 O ATOM 794 CB MET A 51 10.589 4.250 -4.487 1.00 0.00 C ATOM 795 CG MET A 51 12.034 3.873 -4.205 1.00 0.00 C ATOM 796 SD MET A 51 12.567 2.421 -5.132 1.00 0.00 S ATOM 797 CE MET A 51 12.358 1.138 -3.900 1.00 0.00 C ATOM 0 H MET A 51 10.614 5.058 -2.158 1.00 0.00 H new ATOM 0 HA MET A 51 10.969 6.362 -4.603 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.933 3.581 -3.931 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.381 4.093 -5.545 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.680 4.715 -4.453 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.154 3.683 -3.139 1.00 0.00 H new ATOM 0 HE1 MET A 51 12.985 0.284 -4.154 1.00 0.00 H new ATOM 0 HE2 MET A 51 12.648 1.522 -2.922 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.314 0.826 -3.873 1.00 0.00 H new ATOM 807 N MET A 52 7.837 5.594 -3.899 1.00 0.00 N ATOM 808 CA MET A 52 6.453 5.861 -4.271 1.00 0.00 C ATOM 809 C MET A 52 6.127 7.343 -4.122 1.00 0.00 C ATOM 810 O MET A 52 5.425 7.919 -4.953 1.00 0.00 O ATOM 811 CB MET A 52 5.501 5.028 -3.410 1.00 0.00 C ATOM 812 CG MET A 52 5.624 3.531 -3.642 1.00 0.00 C ATOM 813 SD MET A 52 4.220 2.609 -2.986 1.00 0.00 S ATOM 814 CE MET A 52 3.172 2.516 -4.435 1.00 0.00 C ATOM 0 H MET A 52 7.946 5.040 -3.050 1.00 0.00 H new ATOM 0 HA MET A 52 6.323 5.582 -5.317 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.694 5.241 -2.359 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.476 5.336 -3.615 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.712 3.339 -4.711 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.541 3.169 -3.177 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.276 1.942 -4.200 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.888 3.522 -4.744 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.714 2.027 -5.245 1.00 0.00 H new ATOM 824 N GLU A 53 6.640 7.954 -3.058 1.00 0.00 N ATOM 825 CA GLU A 53 6.401 9.370 -2.802 1.00 0.00 C ATOM 826 C GLU A 53 6.704 10.206 -4.042 1.00 0.00 C ATOM 827 O GLU A 53 5.969 11.136 -4.371 1.00 0.00 O ATOM 828 CB GLU A 53 7.257 9.850 -1.627 1.00 0.00 C ATOM 829 CG GLU A 53 6.612 9.619 -0.271 1.00 0.00 C ATOM 830 CD GLU A 53 7.264 10.433 0.830 1.00 0.00 C ATOM 831 OE1 GLU A 53 7.704 11.567 0.549 1.00 0.00 O ATOM 832 OE2 GLU A 53 7.332 9.935 1.973 1.00 0.00 O ATOM 0 H GLU A 53 7.223 7.491 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 53 5.348 9.495 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.218 9.337 -1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.460 10.914 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.554 9.873 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.672 8.560 -0.020 1.00 0.00 H new ATOM 839 N GLU A 54 7.794 9.868 -4.725 1.00 0.00 N ATOM 840 CA GLU A 54 8.195 10.588 -5.927 1.00 0.00 C ATOM 841 C GLU A 54 7.520 10.003 -7.164 1.00 0.00 C ATOM 842 O GLU A 54 7.023 10.735 -8.020 1.00 0.00 O ATOM 843 CB GLU A 54 9.716 10.541 -6.093 1.00 0.00 C ATOM 844 CG GLU A 54 10.314 9.168 -5.840 1.00 0.00 C ATOM 845 CD GLU A 54 11.791 9.104 -6.173 1.00 0.00 C ATOM 846 OE1 GLU A 54 12.125 8.893 -7.357 1.00 0.00 O ATOM 847 OE2 GLU A 54 12.614 9.266 -5.248 1.00 0.00 O ATOM 0 H GLU A 54 8.414 9.101 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 54 7.880 11.626 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.973 10.859 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.170 11.257 -5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.170 8.900 -4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.779 8.428 -6.435 1.00 0.00 H new ATOM 854 N LYS A 55 7.505 8.677 -7.250 1.00 0.00 N ATOM 855 CA LYS A 55 6.891 7.991 -8.381 1.00 0.00 C ATOM 856 C LYS A 55 5.421 8.372 -8.515 1.00 0.00 C ATOM 857 O LYS A 55 5.005 8.935 -9.529 1.00 0.00 O ATOM 858 CB LYS A 55 7.022 6.475 -8.216 1.00 0.00 C ATOM 859 CG LYS A 55 6.509 5.687 -9.408 1.00 0.00 C ATOM 860 CD LYS A 55 7.597 5.474 -10.447 1.00 0.00 C ATOM 861 CE LYS A 55 7.174 4.459 -11.497 1.00 0.00 C ATOM 862 NZ LYS A 55 6.001 4.931 -12.284 1.00 0.00 N ATOM 0 H LYS A 55 7.911 8.056 -6.550 1.00 0.00 H new ATOM 0 HA LYS A 55 7.412 8.299 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.070 6.225 -8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.476 6.166 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.132 4.721 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.671 6.216 -9.861 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.831 6.423 -10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.508 5.133 -9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.009 4.264 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.929 3.514 -11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.237 4.925 -13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.192 4.300 -12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.754 5.898 -11.992 1.00 0.00 H new ATOM 876 N PHE A 56 4.638 8.066 -7.487 1.00 0.00 N ATOM 877 CA PHE A 56 3.213 8.377 -7.490 1.00 0.00 C ATOM 878 C PHE A 56 2.901 9.507 -6.512 1.00 0.00 C ATOM 879 O PHE A 56 2.492 9.281 -5.373 1.00 0.00 O ATOM 880 CB PHE A 56 2.396 7.134 -7.128 1.00 0.00 C ATOM 881 CG PHE A 56 3.007 5.853 -7.619 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.804 5.428 -8.923 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.783 5.072 -6.778 1.00 0.00 C ATOM 884 CE1 PHE A 56 3.363 4.249 -9.377 1.00 0.00 C ATOM 885 CE2 PHE A 56 4.345 3.892 -7.227 1.00 0.00 C ATOM 886 CZ PHE A 56 4.136 3.480 -8.528 1.00 0.00 C ATOM 0 H PHE A 56 4.966 7.602 -6.640 1.00 0.00 H new ATOM 0 HA PHE A 56 2.940 8.702 -8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.286 7.083 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.394 7.233 -7.545 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.202 6.025 -9.592 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.951 5.389 -5.759 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.196 3.929 -10.395 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.947 3.292 -6.561 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.576 2.559 -8.881 1.00 0.00 H new ATOM 896 N PRO A 57 3.098 10.753 -6.967 1.00 0.00 N ATOM 897 CA PRO A 57 2.845 11.943 -6.149 1.00 0.00 C ATOM 898 C PRO A 57 1.358 12.166 -5.895 1.00 0.00 C ATOM 899 O PRO A 57 0.978 12.969 -5.044 1.00 0.00 O ATOM 900 CB PRO A 57 3.420 13.083 -6.994 1.00 0.00 C ATOM 901 CG PRO A 57 3.362 12.581 -8.396 1.00 0.00 C ATOM 902 CD PRO A 57 3.583 11.096 -8.314 1.00 0.00 C ATOM 0 HA PRO A 57 3.293 11.860 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.837 13.996 -6.876 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.443 13.317 -6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.398 12.807 -8.852 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.126 13.056 -9.012 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.030 10.564 -9.088 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.635 10.839 -8.440 1.00 0.00 H new ATOM 910 N ALA A 58 0.521 11.449 -6.639 1.00 0.00 N ATOM 911 CA ALA A 58 -0.924 11.568 -6.492 1.00 0.00 C ATOM 912 C ALA A 58 -1.367 11.178 -5.086 1.00 0.00 C ATOM 913 O ALA A 58 -1.974 11.976 -4.372 1.00 0.00 O ATOM 914 CB ALA A 58 -1.632 10.707 -7.528 1.00 0.00 C ATOM 0 H ALA A 58 0.819 10.780 -7.349 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.196 12.611 -6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.711 10.805 -7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.348 11.034 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.345 9.664 -7.392 1.00 0.00 H new ATOM 920 N ASP A 59 -1.059 9.947 -4.694 1.00 0.00 N ATOM 921 CA ASP A 59 -1.425 9.452 -3.372 1.00 0.00 C ATOM 922 C ASP A 59 -0.183 9.080 -2.568 1.00 0.00 C ATOM 923 O ASP A 59 -0.272 8.762 -1.382 1.00 0.00 O ATOM 924 CB ASP A 59 -2.349 8.239 -3.497 1.00 0.00 C ATOM 925 CG ASP A 59 -3.613 8.551 -4.274 1.00 0.00 C ATOM 926 OD1 ASP A 59 -4.479 9.268 -3.732 1.00 0.00 O ATOM 927 OD2 ASP A 59 -3.735 8.078 -5.423 1.00 0.00 O ATOM 0 H ASP A 59 -0.557 9.274 -5.273 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.951 10.248 -2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.814 7.428 -3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.616 7.885 -2.501 1.00 0.00 H new ATOM 932 N SER A 60 0.973 9.122 -3.222 1.00 0.00 N ATOM 933 CA SER A 60 2.233 8.785 -2.569 1.00 0.00 C ATOM 934 C SER A 60 2.294 7.296 -2.242 1.00 0.00 C ATOM 935 O SER A 60 3.003 6.879 -1.327 1.00 0.00 O ATOM 936 CB SER A 60 2.406 9.608 -1.290 1.00 0.00 C ATOM 937 OG SER A 60 2.100 10.972 -1.517 1.00 0.00 O ATOM 0 H SER A 60 1.064 9.386 -4.203 1.00 0.00 H new ATOM 0 HA SER A 60 3.045 9.022 -3.257 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.758 9.212 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.431 9.517 -0.931 1.00 0.00 H new ATOM 0 HG SER A 60 2.216 11.476 -0.685 1.00 0.00 H new ATOM 943 N GLY A 61 1.543 6.500 -2.997 1.00 0.00 N ATOM 944 CA GLY A 61 1.526 5.065 -2.771 1.00 0.00 C ATOM 945 C GLY A 61 0.224 4.592 -2.156 1.00 0.00 C ATOM 946 O GLY A 61 -0.270 3.512 -2.485 1.00 0.00 O ATOM 0 H GLY A 61 0.947 6.822 -3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.686 4.549 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.354 4.793 -2.116 1.00 0.00 H new ATOM 950 N LEU A 62 -0.332 5.398 -1.258 1.00 0.00 N ATOM 951 CA LEU A 62 -1.584 5.054 -0.593 1.00 0.00 C ATOM 952 C LEU A 62 -2.553 4.388 -1.565 1.00 0.00 C ATOM 953 O LEU A 62 -3.050 3.293 -1.308 1.00 0.00 O ATOM 954 CB LEU A 62 -2.226 6.307 0.006 1.00 0.00 C ATOM 955 CG LEU A 62 -3.680 6.165 0.455 1.00 0.00 C ATOM 956 CD1 LEU A 62 -3.764 5.379 1.755 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.325 7.535 0.617 1.00 0.00 C ATOM 0 H LEU A 62 0.064 6.294 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.360 4.349 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.631 6.622 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.171 7.108 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.225 5.617 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.807 5.288 2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.341 4.385 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.204 5.900 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.360 7.414 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.778 8.108 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.299 8.064 -0.336 1.00 0.00 H new ATOM 969 N GLY A 63 -2.813 5.057 -2.685 1.00 0.00 N ATOM 970 CA GLY A 63 -3.719 4.513 -3.679 1.00 0.00 C ATOM 971 C GLY A 63 -3.319 3.121 -4.128 1.00 0.00 C ATOM 972 O GLY A 63 -4.024 2.148 -3.859 1.00 0.00 O ATOM 0 H GLY A 63 -2.413 5.965 -2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.728 4.483 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.746 5.177 -4.543 1.00 0.00 H new ATOM 976 N LYS A 64 -2.187 3.026 -4.816 1.00 0.00 N ATOM 977 CA LYS A 64 -1.694 1.743 -5.304 1.00 0.00 C ATOM 978 C LYS A 64 -1.849 0.661 -4.241 1.00 0.00 C ATOM 979 O LYS A 64 -2.128 -0.498 -4.555 1.00 0.00 O ATOM 980 CB LYS A 64 -0.226 1.862 -5.717 1.00 0.00 C ATOM 981 CG LYS A 64 0.200 0.835 -6.752 1.00 0.00 C ATOM 982 CD LYS A 64 -0.375 1.154 -8.122 1.00 0.00 C ATOM 983 CE LYS A 64 0.539 2.083 -8.907 1.00 0.00 C ATOM 984 NZ LYS A 64 -0.141 2.644 -10.109 1.00 0.00 N ATOM 0 H LYS A 64 -1.593 3.822 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.288 1.460 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.049 2.861 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.401 1.755 -4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.288 0.806 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.129 -0.156 -6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.522 0.229 -8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.355 1.617 -8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.869 2.898 -8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.432 1.539 -9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.514 3.272 -10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.433 1.868 -10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.979 3.184 -9.813 1.00 0.00 H new ATOM 998 N LEU A 65 -1.668 1.043 -2.982 1.00 0.00 N ATOM 999 CA LEU A 65 -1.789 0.105 -1.872 1.00 0.00 C ATOM 1000 C LEU A 65 -3.247 -0.270 -1.633 1.00 0.00 C ATOM 1001 O LEU A 65 -3.593 -1.452 -1.574 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.191 0.709 -0.600 1.00 0.00 C ATOM 1003 CG LEU A 65 -0.913 -0.268 0.542 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.217 -0.787 1.129 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.048 -1.422 0.057 1.00 0.00 C ATOM 0 H LEU A 65 -1.437 1.997 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.238 -0.799 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.257 1.205 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.869 1.480 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.371 0.262 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.000 -1.481 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.801 0.049 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.786 -1.301 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.140 -2.108 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.564 -1.952 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.900 -1.034 -0.316 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.099 0.741 -1.499 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.521 0.515 -1.270 1.00 0.00 C ATOM 1019 C ILE A 66 -6.043 -0.625 -2.136 1.00 0.00 C ATOM 1020 O ILE A 66 -6.644 -1.574 -1.634 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.345 1.784 -1.559 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.088 2.842 -0.484 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -7.827 1.447 -1.634 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -6.598 4.217 -0.855 1.00 0.00 C ATOM 0 H ILE A 66 -3.830 1.724 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.634 0.249 -0.219 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.035 2.189 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.562 2.526 0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.017 2.900 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.396 2.354 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.996 0.724 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.152 1.021 -0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.381 4.916 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.106 4.554 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.675 4.174 -1.018 1.00 0.00 H new ATOM 1036 N GLU A 67 -5.809 -0.526 -3.441 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.255 -1.551 -4.377 1.00 0.00 C ATOM 1038 C GLU A 67 -5.673 -2.913 -4.011 1.00 0.00 C ATOM 1039 O GLU A 67 -6.392 -3.910 -3.944 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.852 -1.178 -5.806 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.591 0.032 -6.351 1.00 0.00 C ATOM 1042 CD GLU A 67 -6.586 0.084 -7.867 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -7.399 -0.629 -8.488 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -5.767 0.840 -8.430 1.00 0.00 O ATOM 0 H GLU A 67 -5.313 0.253 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.342 -1.613 -4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.780 -0.981 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.035 -2.030 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.621 0.015 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.133 0.940 -5.958 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.365 -2.947 -3.777 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.684 -4.187 -3.420 1.00 0.00 C ATOM 1053 C PHE A 68 -4.439 -4.921 -2.315 1.00 0.00 C ATOM 1054 O PHE A 68 -4.383 -6.149 -2.222 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.252 -3.895 -2.968 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.628 -5.018 -2.190 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.348 -6.230 -2.802 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.322 -4.863 -0.848 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.773 -7.266 -2.090 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.747 -5.895 -0.131 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.473 -7.098 -0.752 1.00 0.00 C ATOM 0 H PHE A 68 -3.756 -2.131 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.655 -4.825 -4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.638 -3.686 -3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.250 -2.994 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.582 -6.366 -3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.535 -3.925 -0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.559 -8.205 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.512 -5.761 0.915 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.025 -7.906 -0.193 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.141 -4.164 -1.481 1.00 0.00 N ATOM 1072 CA CYS A 69 -5.905 -4.742 -0.381 1.00 0.00 C ATOM 1073 C CYS A 69 -7.225 -5.321 -0.881 1.00 0.00 C ATOM 1074 O CYS A 69 -7.666 -6.373 -0.420 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.173 -3.686 0.692 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.769 -3.376 1.788 1.00 0.00 S ATOM 0 H CYS A 69 -5.198 -3.148 -1.545 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.315 -5.549 0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.454 -2.752 0.205 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.026 -4.002 1.292 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.091 -2.467 2.660 1.00 0.00 H new ATOM 1082 N GLU A 70 -7.850 -4.626 -1.828 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.120 -5.071 -2.387 1.00 0.00 C ATOM 1084 C GLU A 70 -9.050 -6.541 -2.795 1.00 0.00 C ATOM 1085 O GLU A 70 -9.789 -7.375 -2.273 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.498 -4.213 -3.597 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.044 -2.845 -3.225 1.00 0.00 C ATOM 1088 CD GLU A 70 -11.552 -2.847 -3.051 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -12.237 -3.546 -3.826 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -12.043 -2.148 -2.141 1.00 0.00 O ATOM 0 H GLU A 70 -7.497 -3.754 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.885 -4.961 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.620 -4.085 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.243 -4.744 -4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.575 -2.510 -2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.772 -2.127 -3.998 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.157 -6.848 -3.730 1.00 0.00 N ATOM 1098 CA GLU A 71 -7.991 -8.215 -4.208 1.00 0.00 C ATOM 1099 C GLU A 71 -8.143 -9.214 -3.063 1.00 0.00 C ATOM 1100 O GLU A 71 -8.719 -10.288 -3.234 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.623 -8.386 -4.869 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.492 -8.612 -3.880 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.135 -8.691 -4.552 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -3.939 -8.004 -5.577 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -3.269 -9.440 -4.054 1.00 0.00 O ATOM 0 H GLU A 71 -7.537 -6.169 -4.171 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.769 -8.411 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.665 -9.229 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.403 -7.499 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.485 -7.802 -3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.675 -9.535 -3.330 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.622 -8.850 -1.896 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.699 -9.713 -0.722 1.00 0.00 C ATOM 1114 C VAL A 72 -8.966 -9.437 0.079 1.00 0.00 C ATOM 1115 O VAL A 72 -9.282 -8.295 0.415 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.474 -9.525 0.193 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.350 -10.691 1.163 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.208 -9.373 -0.636 1.00 0.00 C ATOM 0 H VAL A 72 -7.142 -7.964 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.718 -10.741 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.611 -8.613 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.479 -10.542 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.247 -10.748 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.235 -11.619 0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.353 -9.241 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.062 -10.266 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.301 -8.503 -1.286 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.710 -10.507 0.396 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.955 -10.407 1.164 1.00 0.00 C ATOM 1130 C PRO A 73 -10.709 -10.025 2.620 1.00 0.00 C ATOM 1131 O PRO A 73 -11.569 -9.431 3.268 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.543 -11.817 1.073 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.367 -12.703 0.844 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.393 -11.897 0.029 1.00 0.00 C ATOM 0 HA PRO A 73 -11.613 -9.630 0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.069 -12.086 1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.262 -11.894 0.257 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.922 -13.013 1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.659 -13.611 0.317 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.361 -12.151 0.270 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.523 -12.070 -1.039 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.530 -10.369 3.125 1.00 0.00 N ATOM 1143 CA ALA A 74 -9.170 -10.060 4.504 1.00 0.00 C ATOM 1144 C ALA A 74 -8.687 -8.619 4.635 1.00 0.00 C ATOM 1145 O ALA A 74 -8.738 -8.033 5.717 1.00 0.00 O ATOM 1146 CB ALA A 74 -8.103 -11.024 4.999 1.00 0.00 C ATOM 0 H ALA A 74 -8.807 -10.862 2.601 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.061 -10.174 5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.844 -10.782 6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.484 -12.044 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.216 -10.938 4.372 1.00 0.00 H new ATOM 1152 N LEU A 75 -8.216 -8.055 3.528 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.724 -6.682 3.521 1.00 0.00 C ATOM 1154 C LEU A 75 -8.816 -5.713 3.084 1.00 0.00 C ATOM 1155 O LEU A 75 -8.832 -4.553 3.495 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.515 -6.559 2.589 1.00 0.00 C ATOM 1157 CG LEU A 75 -5.341 -7.492 2.887 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -4.202 -7.245 1.909 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.864 -7.308 4.321 1.00 0.00 C ATOM 0 H LEU A 75 -8.165 -8.527 2.625 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.422 -6.425 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.849 -6.742 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.155 -5.531 2.627 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.680 -8.521 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.375 -7.918 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.550 -7.428 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.864 -6.212 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.028 -7.980 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.543 -6.277 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.679 -7.535 5.008 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.732 -6.197 2.250 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.830 -5.375 1.759 1.00 0.00 C ATOM 1173 C ARG A 76 -11.288 -4.385 2.827 1.00 0.00 C ATOM 1174 O ARG A 76 -11.232 -3.172 2.630 1.00 0.00 O ATOM 1175 CB ARG A 76 -12.003 -6.256 1.328 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.954 -6.664 -0.135 1.00 0.00 C ATOM 1177 CD ARG A 76 -13.104 -7.592 -0.495 1.00 0.00 C ATOM 1178 NE ARG A 76 -14.398 -6.922 -0.395 1.00 0.00 N ATOM 1179 CZ ARG A 76 -15.559 -7.533 -0.604 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -15.588 -8.820 -0.922 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -16.695 -6.856 -0.493 1.00 0.00 N ATOM 0 H ARG A 76 -9.734 -7.155 1.901 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.472 -4.813 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.018 -7.154 1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.935 -5.723 1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.993 -5.774 -0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.006 -7.160 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.966 -7.964 -1.510 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.092 -8.458 0.167 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.411 -5.932 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.717 -9.344 -1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.481 -9.286 -1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.677 -5.866 -0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.586 -7.325 -0.654 1.00 0.00 H new ATOM 1195 N LYS A 77 -11.742 -4.914 3.959 1.00 0.00 N ATOM 1196 CA LYS A 77 -12.209 -4.078 5.059 1.00 0.00 C ATOM 1197 C LYS A 77 -11.244 -2.925 5.316 1.00 0.00 C ATOM 1198 O LYS A 77 -11.663 -1.785 5.510 1.00 0.00 O ATOM 1199 CB LYS A 77 -12.369 -4.917 6.330 1.00 0.00 C ATOM 1200 CG LYS A 77 -12.771 -4.104 7.548 1.00 0.00 C ATOM 1201 CD LYS A 77 -13.572 -4.937 8.535 1.00 0.00 C ATOM 1202 CE LYS A 77 -13.718 -4.229 9.872 1.00 0.00 C ATOM 1203 NZ LYS A 77 -14.368 -5.099 10.892 1.00 0.00 N ATOM 0 H LYS A 77 -11.796 -5.917 4.138 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.177 -3.661 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.119 -5.688 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.429 -5.428 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.878 -3.716 8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.361 -3.243 7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.559 -5.143 8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.081 -5.899 8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.735 -3.922 10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.307 -3.321 9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.449 -4.580 11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.316 -5.372 10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.793 -5.953 11.037 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.951 -3.232 5.315 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.927 -2.220 5.547 1.00 0.00 C ATOM 1219 C ARG A 78 -8.908 -1.196 4.416 1.00 0.00 C ATOM 1220 O ARG A 78 -8.778 0.005 4.655 1.00 0.00 O ATOM 1221 CB ARG A 78 -7.552 -2.877 5.678 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.544 -2.034 6.443 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.901 -1.943 7.919 1.00 0.00 C ATOM 1224 NE ARG A 78 -6.887 -3.252 8.568 1.00 0.00 N ATOM 1225 CZ ARG A 78 -7.439 -3.491 9.751 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -8.047 -2.516 10.413 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -7.386 -4.709 10.276 1.00 0.00 N ATOM 0 H ARG A 78 -9.588 -4.172 5.156 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.166 -1.704 6.477 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.664 -3.838 6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.160 -3.082 4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.549 -2.466 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.505 -1.033 6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.196 -1.281 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.889 -1.496 8.026 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.428 -4.024 8.085 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.092 -1.579 10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.470 -2.703 11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.921 -5.463 9.770 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.811 -4.891 11.185 1.00 0.00 H new ATOM 1241 N ALA A 79 -9.036 -1.679 3.186 1.00 0.00 N ATOM 1242 CA ALA A 79 -9.036 -0.806 2.019 1.00 0.00 C ATOM 1243 C ALA A 79 -10.075 0.301 2.160 1.00 0.00 C ATOM 1244 O ALA A 79 -9.733 1.482 2.215 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.291 -1.613 0.754 1.00 0.00 C ATOM 0 H ALA A 79 -9.141 -2.671 2.971 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.054 -0.339 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.288 -0.947 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.508 -2.363 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.259 -2.108 0.827 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.344 -0.089 2.216 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.433 0.872 2.350 1.00 0.00 C ATOM 1253 C GLU A 80 -12.115 1.908 3.424 1.00 0.00 C ATOM 1254 O GLU A 80 -12.446 3.086 3.282 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.739 0.152 2.691 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.695 -0.595 4.014 1.00 0.00 C ATOM 1257 CD GLU A 80 -15.078 -0.940 4.534 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -15.962 -1.251 3.710 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -15.274 -0.898 5.767 1.00 0.00 O ATOM 0 H GLU A 80 -11.644 -1.063 2.171 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.549 1.387 1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.549 0.881 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.975 -0.552 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.118 -1.511 3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.174 0.013 4.753 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.472 1.461 4.497 1.00 0.00 N ATOM 1267 CA ILE A 81 -11.110 2.349 5.595 1.00 0.00 C ATOM 1268 C ILE A 81 -10.111 3.407 5.139 1.00 0.00 C ATOM 1269 O ILE A 81 -10.235 4.583 5.482 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.509 1.566 6.776 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.531 0.573 7.333 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -10.045 2.524 7.866 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.909 -0.547 8.136 1.00 0.00 C ATOM 0 H ILE A 81 -11.191 0.490 4.630 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.028 2.837 5.923 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.645 1.006 6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.241 1.109 7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -12.098 0.145 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.622 1.955 8.694 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.287 3.195 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.893 3.108 8.222 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.692 -1.212 8.500 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.220 -1.108 7.505 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.366 -0.129 8.983 1.00 0.00 H new ATOM 1285 N LEU A 82 -9.121 2.981 4.362 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.100 3.893 3.857 1.00 0.00 C ATOM 1287 C LEU A 82 -8.720 4.964 2.966 1.00 0.00 C ATOM 1288 O LEU A 82 -8.479 6.158 3.152 1.00 0.00 O ATOM 1289 CB LEU A 82 -7.037 3.117 3.077 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.325 2.000 3.841 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.565 1.098 2.882 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.385 2.584 4.885 1.00 0.00 C ATOM 0 H LEU A 82 -9.004 2.011 4.068 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.631 4.383 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.507 2.684 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.286 3.824 2.724 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.077 1.399 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.065 0.309 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.262 0.652 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.823 1.685 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.887 1.775 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.639 3.208 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.955 3.188 5.591 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.520 4.531 1.998 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.179 5.453 1.079 1.00 0.00 C ATOM 1306 C LYS A 83 -10.895 6.563 1.842 1.00 0.00 C ATOM 1307 O LYS A 83 -10.800 7.737 1.485 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.177 4.699 0.196 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.532 3.648 -0.690 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.543 2.612 -1.152 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.078 1.906 -2.417 1.00 0.00 C ATOM 1312 NZ LYS A 83 -12.223 1.379 -3.210 1.00 0.00 N ATOM 0 H LYS A 83 -9.728 3.547 1.829 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.415 5.906 0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.921 4.219 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.708 5.415 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.081 4.129 -1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.728 3.155 -0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.701 1.878 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.503 3.095 -1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.501 2.599 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.412 1.085 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.865 0.905 -4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.759 0.698 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.845 2.165 -3.486 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.611 6.183 2.895 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.342 7.146 3.711 1.00 0.00 C ATOM 1328 C LYS A 84 -11.536 8.428 3.892 1.00 0.00 C ATOM 1329 O LYS A 84 -12.058 9.529 3.720 1.00 0.00 O ATOM 1330 CB LYS A 84 -12.671 6.541 5.077 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.828 7.228 5.783 1.00 0.00 C ATOM 1332 CD LYS A 84 -13.350 8.396 6.630 1.00 0.00 C ATOM 1333 CE LYS A 84 -14.484 8.989 7.451 1.00 0.00 C ATOM 1334 NZ LYS A 84 -14.957 8.050 8.506 1.00 0.00 N ATOM 0 H LYS A 84 -11.701 5.215 3.204 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.271 7.391 3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.909 5.485 4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.786 6.594 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.547 7.583 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.349 6.508 6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.553 8.063 7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.926 9.165 5.985 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.150 9.917 7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.315 9.243 6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.553 8.564 9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.511 7.286 8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.138 7.643 9.001 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.261 8.277 4.238 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.384 9.424 4.442 1.00 0.00 C ATOM 1350 C GLU A 85 -8.939 10.013 3.105 1.00 0.00 C ATOM 1351 O GLU A 85 -9.018 11.222 2.891 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.160 9.019 5.266 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.508 8.414 6.615 1.00 0.00 C ATOM 1354 CD GLU A 85 -7.412 7.515 7.153 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -6.301 8.024 7.410 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -7.665 6.304 7.315 1.00 0.00 O ATOM 0 H GLU A 85 -9.813 7.372 4.383 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.944 10.184 4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.570 8.301 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.531 9.896 5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.699 9.215 7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.431 7.841 6.524 1.00 0.00 H new ATOM 1363 N ARG A 86 -8.473 9.147 2.211 1.00 0.00 N ATOM 1364 CA ARG A 86 -8.013 9.580 0.897 1.00 0.00 C ATOM 1365 C ARG A 86 -8.857 10.743 0.381 1.00 0.00 C ATOM 1366 O ARG A 86 -8.325 11.762 -0.057 1.00 0.00 O ATOM 1367 CB ARG A 86 -8.068 8.416 -0.095 1.00 0.00 C ATOM 1368 CG ARG A 86 -7.771 8.824 -1.529 1.00 0.00 C ATOM 1369 CD ARG A 86 -7.591 7.611 -2.427 1.00 0.00 C ATOM 1370 NE ARG A 86 -7.599 7.970 -3.842 1.00 0.00 N ATOM 1371 CZ ARG A 86 -7.832 7.102 -4.820 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -8.074 5.829 -4.538 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -7.822 7.506 -6.084 1.00 0.00 N ATOM 0 H ARG A 86 -8.404 8.142 2.372 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.981 9.918 0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.353 7.653 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.057 7.960 -0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.585 9.442 -1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.868 9.435 -1.555 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.650 7.117 -2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.388 6.894 -2.231 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.415 8.941 -4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.082 5.514 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.253 5.165 -5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.635 8.484 -6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.001 6.838 -6.834 1.00 0.00 H new ATOM 1387 N SER A 87 -10.175 10.580 0.438 1.00 0.00 N ATOM 1388 CA SER A 87 -11.093 11.614 -0.027 1.00 0.00 C ATOM 1389 C SER A 87 -10.902 12.905 0.764 1.00 0.00 C ATOM 1390 O SER A 87 -11.312 13.003 1.919 1.00 0.00 O ATOM 1391 CB SER A 87 -12.540 11.134 0.098 1.00 0.00 C ATOM 1392 OG SER A 87 -13.367 11.750 -0.874 1.00 0.00 O ATOM 0 H SER A 87 -10.631 9.743 0.801 1.00 0.00 H new ATOM 0 HA SER A 87 -10.874 11.816 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.579 10.051 -0.020 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.916 11.359 1.096 1.00 0.00 H new ATOM 0 HG SER A 87 -14.286 11.425 -0.774 1.00 0.00 H new ATOM 1398 N GLU A 88 -10.278 13.892 0.130 1.00 0.00 N ATOM 1399 CA GLU A 88 -10.032 15.177 0.773 1.00 0.00 C ATOM 1400 C GLU A 88 -10.867 16.279 0.127 1.00 0.00 C ATOM 1401 O GLU A 88 -11.386 17.161 0.810 1.00 0.00 O ATOM 1402 CB GLU A 88 -8.547 15.536 0.695 1.00 0.00 C ATOM 1403 CG GLU A 88 -7.639 14.522 1.372 1.00 0.00 C ATOM 1404 CD GLU A 88 -7.494 14.771 2.861 1.00 0.00 C ATOM 1405 OE1 GLU A 88 -8.498 15.157 3.498 1.00 0.00 O ATOM 1406 OE2 GLU A 88 -6.379 14.580 3.389 1.00 0.00 O ATOM 0 H GLU A 88 -9.934 13.827 -0.828 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.323 15.091 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.258 15.627 -0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.393 16.512 1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.037 13.520 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.655 14.552 0.905 1.00 0.00 H new ATOM 1413 N SER A 89 -10.992 16.219 -1.195 1.00 0.00 N ATOM 1414 CA SER A 89 -11.760 17.213 -1.935 1.00 0.00 C ATOM 1415 C SER A 89 -13.076 16.623 -2.433 1.00 0.00 C ATOM 1416 O SER A 89 -14.134 17.237 -2.301 1.00 0.00 O ATOM 1417 CB SER A 89 -10.945 17.741 -3.118 1.00 0.00 C ATOM 1418 OG SER A 89 -10.620 16.698 -4.020 1.00 0.00 O ATOM 0 H SER A 89 -10.572 15.493 -1.775 1.00 0.00 H new ATOM 0 HA SER A 89 -11.985 18.039 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.512 18.513 -3.639 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.030 18.209 -2.754 1.00 0.00 H new ATOM 0 HG SER A 89 -10.101 17.062 -4.767 1.00 0.00 H new ATOM 1424 N GLY A 90 -13.002 15.426 -3.007 1.00 0.00 N ATOM 1425 CA GLY A 90 -14.192 14.772 -3.516 1.00 0.00 C ATOM 1426 C GLY A 90 -13.870 13.670 -4.506 1.00 0.00 C ATOM 1427 O GLY A 90 -12.794 13.640 -5.106 1.00 0.00 O ATOM 0 H GLY A 90 -12.138 14.898 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.757 14.354 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.832 15.512 -3.996 1.00 0.00 H new ATOM 1431 N PRO A 91 -14.816 12.737 -4.689 1.00 0.00 N ATOM 1432 CA PRO A 91 -14.650 11.611 -5.612 1.00 0.00 C ATOM 1433 C PRO A 91 -14.665 12.051 -7.072 1.00 0.00 C ATOM 1434 O PRO A 91 -13.927 11.516 -7.899 1.00 0.00 O ATOM 1435 CB PRO A 91 -15.859 10.723 -5.309 1.00 0.00 C ATOM 1436 CG PRO A 91 -16.884 11.653 -4.757 1.00 0.00 C ATOM 1437 CD PRO A 91 -16.122 12.711 -4.008 1.00 0.00 C ATOM 0 HA PRO A 91 -13.691 11.111 -5.476 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -16.220 10.225 -6.209 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -15.606 9.942 -4.592 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -17.481 12.094 -5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -17.573 11.127 -4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.621 13.678 -4.060 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -16.020 12.461 -2.952 1.00 0.00 H new ATOM 1445 N SER A 92 -15.509 13.030 -7.382 1.00 0.00 N ATOM 1446 CA SER A 92 -15.622 13.539 -8.744 1.00 0.00 C ATOM 1447 C SER A 92 -15.286 15.027 -8.796 1.00 0.00 C ATOM 1448 O SER A 92 -15.579 15.774 -7.863 1.00 0.00 O ATOM 1449 CB SER A 92 -17.034 13.304 -9.283 1.00 0.00 C ATOM 1450 OG SER A 92 -17.396 11.937 -9.189 1.00 0.00 O ATOM 0 H SER A 92 -16.124 13.486 -6.709 1.00 0.00 H new ATOM 0 HA SER A 92 -14.909 13.001 -9.368 1.00 0.00 H new ATOM 0 HB2 SER A 92 -17.746 13.911 -8.723 1.00 0.00 H new ATOM 0 HB3 SER A 92 -17.088 13.627 -10.323 1.00 0.00 H new ATOM 0 HG SER A 92 -18.303 11.814 -9.538 1.00 0.00 H new ATOM 1456 N SER A 93 -14.669 15.449 -9.895 1.00 0.00 N ATOM 1457 CA SER A 93 -14.289 16.846 -10.070 1.00 0.00 C ATOM 1458 C SER A 93 -14.952 17.439 -11.309 1.00 0.00 C ATOM 1459 O SER A 93 -14.599 17.101 -12.438 1.00 0.00 O ATOM 1460 CB SER A 93 -12.769 16.972 -10.181 1.00 0.00 C ATOM 1461 OG SER A 93 -12.176 17.141 -8.905 1.00 0.00 O ATOM 0 H SER A 93 -14.422 14.843 -10.678 1.00 0.00 H new ATOM 0 HA SER A 93 -14.630 17.402 -9.197 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.361 16.082 -10.660 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.517 17.820 -10.818 1.00 0.00 H new ATOM 0 HG SER A 93 -11.204 17.217 -9.004 1.00 0.00 H new ATOM 1467 N GLY A 94 -15.918 18.326 -11.088 1.00 0.00 N ATOM 1468 CA GLY A 94 -16.616 18.953 -12.196 1.00 0.00 C ATOM 1469 C GLY A 94 -17.098 20.350 -11.861 1.00 0.00 C ATOM 1470 O GLY A 94 -17.031 20.778 -10.708 1.00 0.00 O ATOM 0 H GLY A 94 -16.229 18.621 -10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.953 18.998 -13.060 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.469 18.336 -12.480 1.00 0.00 H new TER 1474 GLY A 94