USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= -1.22 K(o=-0.021,f=-9.1!) USER MOD Set 1.2: A 24 SER OG : rot 120:sc= 1.2 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.14) USER MOD Single : A 5 MET CE :methyl 159:sc= -0.0672 (180deg=-0.455) USER MOD Single : A 9 ASN : amide:sc= -2.59! X(o=-2.6!,f=-2.4) USER MOD Single : A -1 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 MET CE :methyl -130:sc= 0 (180deg=-0.116) USER MOD Single : A -3 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.026) USER MOD Single : A -5 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.388 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 170:sc= -10.2! (180deg=-11!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.261 F(o=-1.3,f=-0.26) USER MOD Single : A 36 MET CE :methyl -151:sc= -0.297 (180deg=-1.84) USER MOD Single : A 37 ASN : amide:sc= -0.176 K(o=-0.18,f=-2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 81:sc= 0.567 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0378 USER MOD Single : A 47 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2!) USER MOD Single : A 50 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0187 X(o=-0.019,f=-0.18) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.82! C(o=-2.7!,f=-1.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -34:sc= 0.96 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -5 12.232 -20.811 -8.593 1.00 0.00 N ATOM 2 CA SER A -5 12.435 -20.408 -7.206 1.00 0.00 C ATOM 3 C SER A -5 11.456 -19.307 -6.811 1.00 0.00 C ATOM 4 O SER A -5 11.428 -18.238 -7.421 1.00 0.00 O ATOM 5 CB SER A -5 13.872 -19.927 -6.997 1.00 0.00 C ATOM 6 OG SER A -5 14.072 -19.479 -5.668 1.00 0.00 O ATOM 0 H1 SER A -5 12.909 -21.561 -8.839 1.00 0.00 H new ATOM 0 H2 SER A -5 11.262 -21.167 -8.713 1.00 0.00 H new ATOM 0 H3 SER A -5 12.380 -19.993 -9.217 1.00 0.00 H new ATOM 0 HA SER A -5 12.254 -21.276 -6.572 1.00 0.00 H new ATOM 0 HB2 SER A -5 14.566 -20.738 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A -5 14.093 -19.118 -7.694 1.00 0.00 H new ATOM 0 HG SER A -5 14.999 -19.179 -5.560 1.00 0.00 H new ATOM 12 N ASP A -4 10.654 -19.576 -5.787 1.00 0.00 N ATOM 13 CA ASP A -4 9.673 -18.609 -5.309 1.00 0.00 C ATOM 14 C ASP A -4 10.351 -17.309 -4.891 1.00 0.00 C ATOM 15 O ASP A -4 10.037 -16.237 -5.411 1.00 0.00 O ATOM 16 CB ASP A -4 8.885 -19.189 -4.133 1.00 0.00 C ATOM 17 CG ASP A -4 7.664 -18.358 -3.788 1.00 0.00 C ATOM 18 OD1 ASP A -4 6.688 -18.388 -4.566 1.00 0.00 O ATOM 19 OD2 ASP A -4 7.686 -17.677 -2.741 1.00 0.00 O ATOM 0 H ASP A -4 10.664 -20.456 -5.272 1.00 0.00 H new ATOM 0 HA ASP A -4 8.985 -18.392 -6.126 1.00 0.00 H new ATOM 0 HB2 ASP A -4 8.573 -20.205 -4.374 1.00 0.00 H new ATOM 0 HB3 ASP A -4 9.535 -19.254 -3.261 1.00 0.00 H new ATOM 24 N HIS A -3 11.283 -17.409 -3.948 1.00 0.00 N ATOM 25 CA HIS A -3 12.006 -16.241 -3.459 1.00 0.00 C ATOM 26 C HIS A -3 12.607 -15.450 -4.617 1.00 0.00 C ATOM 27 O HIS A -3 12.317 -14.267 -4.791 1.00 0.00 O ATOM 28 CB HIS A -3 13.108 -16.666 -2.489 1.00 0.00 C ATOM 29 CG HIS A -3 12.590 -17.198 -1.189 1.00 0.00 C ATOM 30 ND1 HIS A -3 13.092 -16.812 0.036 1.00 0.00 N ATOM 31 CD2 HIS A -3 11.607 -18.091 -0.927 1.00 0.00 C ATOM 32 CE1 HIS A -3 12.441 -17.445 0.996 1.00 0.00 C ATOM 33 NE2 HIS A -3 11.534 -18.227 0.438 1.00 0.00 N ATOM 0 H HIS A -3 11.555 -18.288 -3.507 1.00 0.00 H new ATOM 0 HA HIS A -3 11.298 -15.600 -2.933 1.00 0.00 H new ATOM 0 HB2 HIS A -3 13.724 -17.429 -2.964 1.00 0.00 H new ATOM 0 HB3 HIS A -3 13.755 -15.812 -2.290 1.00 0.00 H new ATOM 0 HD2 HIS A -3 10.994 -18.601 -1.655 1.00 0.00 H new ATOM 0 HE1 HIS A -3 12.620 -17.341 2.056 1.00 0.00 H new ATOM 0 HE2 HIS A -3 10.885 -18.833 0.939 1.00 0.00 H new ATOM 42 N MET A -2 13.447 -16.113 -5.406 1.00 0.00 N ATOM 43 CA MET A -2 14.088 -15.472 -6.548 1.00 0.00 C ATOM 44 C MET A -2 13.142 -14.481 -7.218 1.00 0.00 C ATOM 45 O MET A -2 13.486 -13.315 -7.417 1.00 0.00 O ATOM 46 CB MET A -2 14.544 -16.524 -7.561 1.00 0.00 C ATOM 47 CG MET A -2 15.221 -15.934 -8.788 1.00 0.00 C ATOM 48 SD MET A -2 15.423 -17.136 -10.116 1.00 0.00 S ATOM 49 CE MET A -2 13.752 -17.218 -10.756 1.00 0.00 C ATOM 0 H MET A -2 13.699 -17.093 -5.275 1.00 0.00 H new ATOM 0 HA MET A -2 14.959 -14.926 -6.184 1.00 0.00 H new ATOM 0 HB2 MET A -2 15.233 -17.213 -7.072 1.00 0.00 H new ATOM 0 HB3 MET A -2 13.681 -17.109 -7.879 1.00 0.00 H new ATOM 0 HG2 MET A -2 14.633 -15.091 -9.152 1.00 0.00 H new ATOM 0 HG3 MET A -2 16.198 -15.543 -8.506 1.00 0.00 H new ATOM 0 HE1 MET A -2 13.443 -18.260 -10.833 1.00 0.00 H new ATOM 0 HE2 MET A -2 13.078 -16.688 -10.083 1.00 0.00 H new ATOM 0 HE3 MET A -2 13.717 -16.755 -11.742 1.00 0.00 H new ATOM 59 N THR A -1 11.948 -14.951 -7.565 1.00 0.00 N ATOM 60 CA THR A -1 10.952 -14.107 -8.213 1.00 0.00 C ATOM 61 C THR A -1 10.047 -13.437 -7.187 1.00 0.00 C ATOM 62 O THR A -1 9.309 -14.107 -6.465 1.00 0.00 O ATOM 63 CB THR A -1 10.085 -14.915 -9.197 1.00 0.00 C ATOM 64 OG1 THR A -1 9.219 -14.036 -9.923 1.00 0.00 O ATOM 65 CG2 THR A -1 9.256 -15.955 -8.458 1.00 0.00 C ATOM 0 H THR A -1 11.647 -15.913 -7.408 1.00 0.00 H new ATOM 0 HA THR A -1 11.498 -13.342 -8.765 1.00 0.00 H new ATOM 0 HB THR A -1 10.747 -15.429 -9.894 1.00 0.00 H new ATOM 0 HG1 THR A -1 8.673 -14.557 -10.548 1.00 0.00 H new ATOM 0 HG21 THR A -1 8.652 -16.514 -9.173 1.00 0.00 H new ATOM 0 HG22 THR A -1 9.919 -16.640 -7.930 1.00 0.00 H new ATOM 0 HG23 THR A -1 8.603 -15.457 -7.741 1.00 0.00 H new ATOM 73 N MET A 1 10.107 -12.110 -7.128 1.00 0.00 N ATOM 74 CA MET A 1 9.289 -11.350 -6.190 1.00 0.00 C ATOM 75 C MET A 1 7.805 -11.525 -6.496 1.00 0.00 C ATOM 76 O MET A 1 7.364 -11.305 -7.623 1.00 0.00 O ATOM 77 CB MET A 1 9.661 -9.867 -6.242 1.00 0.00 C ATOM 78 CG MET A 1 10.993 -9.550 -5.581 1.00 0.00 C ATOM 79 SD MET A 1 11.052 -10.069 -3.855 1.00 0.00 S ATOM 80 CE MET A 1 12.707 -9.554 -3.403 1.00 0.00 C ATOM 0 H MET A 1 10.713 -11.540 -7.718 1.00 0.00 H new ATOM 0 HA MET A 1 9.482 -11.731 -5.187 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.696 -9.546 -7.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.877 -9.287 -5.756 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.794 -10.042 -6.132 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.178 -8.477 -5.640 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.895 -9.807 -2.360 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.433 -10.064 -4.037 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.802 -8.477 -3.537 1.00 0.00 H new ATOM 90 N SER A 2 7.040 -11.923 -5.484 1.00 0.00 N ATOM 91 CA SER A 2 5.606 -12.132 -5.647 1.00 0.00 C ATOM 92 C SER A 2 4.825 -10.890 -5.227 1.00 0.00 C ATOM 93 O SER A 2 4.148 -10.263 -6.043 1.00 0.00 O ATOM 94 CB SER A 2 5.148 -13.338 -4.825 1.00 0.00 C ATOM 95 OG SER A 2 5.361 -14.547 -5.532 1.00 0.00 O ATOM 0 H SER A 2 7.389 -12.107 -4.543 1.00 0.00 H new ATOM 0 HA SER A 2 5.410 -12.325 -6.702 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.691 -13.365 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.090 -13.236 -4.582 1.00 0.00 H new ATOM 0 HG SER A 2 5.062 -15.303 -4.985 1.00 0.00 H new ATOM 101 N LEU A 3 4.925 -10.540 -3.949 1.00 0.00 N ATOM 102 CA LEU A 3 4.228 -9.373 -3.419 1.00 0.00 C ATOM 103 C LEU A 3 5.163 -8.170 -3.342 1.00 0.00 C ATOM 104 O LEU A 3 4.720 -7.024 -3.412 1.00 0.00 O ATOM 105 CB LEU A 3 3.659 -9.681 -2.033 1.00 0.00 C ATOM 106 CG LEU A 3 2.675 -8.656 -1.469 1.00 0.00 C ATOM 107 CD1 LEU A 3 1.408 -8.615 -2.308 1.00 0.00 C ATOM 108 CD2 LEU A 3 2.345 -8.975 -0.018 1.00 0.00 C ATOM 0 H LEU A 3 5.482 -11.047 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 3 3.409 -9.130 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.160 -10.649 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.490 -9.780 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 3 3.144 -7.673 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.719 -7.880 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.659 -8.338 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.936 -9.598 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.643 -8.235 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.897 -9.967 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.258 -8.952 0.576 1.00 0.00 H new ATOM 120 N GLN A 4 6.456 -8.440 -3.200 1.00 0.00 N ATOM 121 CA GLN A 4 7.453 -7.379 -3.115 1.00 0.00 C ATOM 122 C GLN A 4 7.313 -6.407 -4.282 1.00 0.00 C ATOM 123 O GLN A 4 7.347 -5.190 -4.096 1.00 0.00 O ATOM 124 CB GLN A 4 8.862 -7.974 -3.098 1.00 0.00 C ATOM 125 CG GLN A 4 9.866 -7.137 -2.322 1.00 0.00 C ATOM 126 CD GLN A 4 9.570 -7.098 -0.836 1.00 0.00 C ATOM 127 OE1 GLN A 4 9.513 -6.027 -0.231 1.00 0.00 O ATOM 128 NE2 GLN A 4 9.379 -8.268 -0.239 1.00 0.00 N ATOM 0 H GLN A 4 6.838 -9.384 -3.141 1.00 0.00 H new ATOM 0 HA GLN A 4 7.287 -6.832 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.821 -8.973 -2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.212 -8.088 -4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.867 -7.540 -2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.866 -6.120 -2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.435 -9.131 -0.779 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.176 -8.304 0.760 1.00 0.00 H new ATOM 137 N MET A 5 7.156 -6.951 -5.484 1.00 0.00 N ATOM 138 CA MET A 5 7.010 -6.131 -6.681 1.00 0.00 C ATOM 139 C MET A 5 5.863 -5.138 -6.523 1.00 0.00 C ATOM 140 O MET A 5 5.775 -4.154 -7.259 1.00 0.00 O ATOM 141 CB MET A 5 6.769 -7.016 -7.905 1.00 0.00 C ATOM 142 CG MET A 5 7.864 -8.044 -8.136 1.00 0.00 C ATOM 143 SD MET A 5 7.760 -8.816 -9.763 1.00 0.00 S ATOM 144 CE MET A 5 8.267 -7.458 -10.815 1.00 0.00 C ATOM 0 H MET A 5 7.127 -7.956 -5.655 1.00 0.00 H new ATOM 0 HA MET A 5 7.935 -5.571 -6.823 1.00 0.00 H new ATOM 0 HB2 MET A 5 5.816 -7.532 -7.788 1.00 0.00 H new ATOM 0 HB3 MET A 5 6.683 -6.384 -8.789 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.837 -7.564 -8.027 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.801 -8.815 -7.368 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.612 -7.849 -11.772 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.422 -6.790 -10.979 1.00 0.00 H new ATOM 0 HE3 MET A 5 9.076 -6.908 -10.335 1.00 0.00 H new ATOM 154 N ILE A 6 4.986 -5.402 -5.560 1.00 0.00 N ATOM 155 CA ILE A 6 3.845 -4.531 -5.306 1.00 0.00 C ATOM 156 C ILE A 6 4.154 -3.530 -4.198 1.00 0.00 C ATOM 157 O ILE A 6 4.156 -2.319 -4.423 1.00 0.00 O ATOM 158 CB ILE A 6 2.594 -5.340 -4.918 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.428 -6.543 -5.849 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.357 -4.456 -4.960 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.267 -6.162 -7.304 1.00 0.00 C ATOM 0 H ILE A 6 5.044 -6.212 -4.943 1.00 0.00 H new ATOM 0 HA ILE A 6 3.646 -3.993 -6.233 1.00 0.00 H new ATOM 0 HB ILE A 6 2.719 -5.708 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.296 -7.195 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.558 -7.119 -5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.481 -5.043 -4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.476 -3.630 -4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.226 -4.061 -5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.154 -7.064 -7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.383 -5.535 -7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.148 -5.612 -7.636 1.00 0.00 H new ATOM 173 N VAL A 7 4.416 -4.043 -3.000 1.00 0.00 N ATOM 174 CA VAL A 7 4.729 -3.195 -1.857 1.00 0.00 C ATOM 175 C VAL A 7 5.919 -2.289 -2.154 1.00 0.00 C ATOM 176 O VAL A 7 6.000 -1.170 -1.649 1.00 0.00 O ATOM 177 CB VAL A 7 5.038 -4.035 -0.603 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.764 -4.653 -0.047 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.067 -5.109 -0.922 1.00 0.00 C ATOM 0 H VAL A 7 4.418 -5.042 -2.796 1.00 0.00 H new ATOM 0 HA VAL A 7 3.848 -2.582 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 7 5.457 -3.378 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.002 -5.243 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.063 -3.862 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.313 -5.297 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.274 -5.693 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.678 -5.765 -1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.987 -4.639 -1.269 1.00 0.00 H new ATOM 189 N GLU A 8 6.840 -2.781 -2.977 1.00 0.00 N ATOM 190 CA GLU A 8 8.026 -2.015 -3.341 1.00 0.00 C ATOM 191 C GLU A 8 7.643 -0.746 -4.097 1.00 0.00 C ATOM 192 O GLU A 8 8.238 0.312 -3.896 1.00 0.00 O ATOM 193 CB GLU A 8 8.968 -2.867 -4.195 1.00 0.00 C ATOM 194 CG GLU A 8 8.450 -3.124 -5.600 1.00 0.00 C ATOM 195 CD GLU A 8 8.788 -2.000 -6.561 1.00 0.00 C ATOM 196 OE1 GLU A 8 9.970 -1.602 -6.617 1.00 0.00 O ATOM 197 OE2 GLU A 8 7.869 -1.519 -7.257 1.00 0.00 O ATOM 0 H GLU A 8 6.788 -3.706 -3.404 1.00 0.00 H new ATOM 0 HA GLU A 8 8.539 -1.729 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.936 -2.370 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.132 -3.822 -3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.873 -4.056 -5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.368 -3.255 -5.566 1.00 0.00 H new ATOM 204 N ASN A 9 6.646 -0.862 -4.968 1.00 0.00 N ATOM 205 CA ASN A 9 6.183 0.275 -5.756 1.00 0.00 C ATOM 206 C ASN A 9 5.845 1.459 -4.855 1.00 0.00 C ATOM 207 O ASN A 9 5.909 2.614 -5.279 1.00 0.00 O ATOM 208 CB ASN A 9 4.958 -0.116 -6.584 1.00 0.00 C ATOM 209 CG ASN A 9 5.333 -0.655 -7.952 1.00 0.00 C ATOM 210 OD1 ASN A 9 5.778 0.091 -8.824 1.00 0.00 O ATOM 211 ND2 ASN A 9 5.152 -1.956 -8.144 1.00 0.00 N ATOM 0 H ASN A 9 6.143 -1.731 -5.146 1.00 0.00 H new ATOM 0 HA ASN A 9 6.988 0.571 -6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.384 -0.869 -6.045 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.311 0.753 -6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.385 -2.376 -9.044 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.780 -2.536 -7.392 1.00 0.00 H new ATOM 218 N VAL A 10 5.486 1.165 -3.610 1.00 0.00 N ATOM 219 CA VAL A 10 5.140 2.205 -2.648 1.00 0.00 C ATOM 220 C VAL A 10 6.370 3.007 -2.239 1.00 0.00 C ATOM 221 O VAL A 10 6.277 4.196 -1.933 1.00 0.00 O ATOM 222 CB VAL A 10 4.487 1.608 -1.387 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.229 2.694 -0.354 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.197 0.886 -1.747 1.00 0.00 C ATOM 0 H VAL A 10 5.427 0.215 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 10 4.426 2.866 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 10 5.174 0.882 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.767 2.253 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.173 3.162 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.561 3.446 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.749 0.470 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.502 1.589 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.414 0.080 -2.448 1.00 0.00 H new ATOM 234 N LYS A 11 7.524 2.348 -2.234 1.00 0.00 N ATOM 235 CA LYS A 11 8.775 2.999 -1.864 1.00 0.00 C ATOM 236 C LYS A 11 9.103 4.136 -2.827 1.00 0.00 C ATOM 237 O LYS A 11 9.592 5.189 -2.417 1.00 0.00 O ATOM 238 CB LYS A 11 9.919 1.982 -1.852 1.00 0.00 C ATOM 239 CG LYS A 11 9.573 0.688 -1.136 1.00 0.00 C ATOM 240 CD LYS A 11 8.961 0.952 0.230 1.00 0.00 C ATOM 241 CE LYS A 11 7.446 1.069 0.148 1.00 0.00 C ATOM 242 NZ LYS A 11 6.786 0.608 1.401 1.00 0.00 N ATOM 0 H LYS A 11 7.619 1.363 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 11 8.656 3.416 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.203 1.755 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.789 2.431 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.875 0.111 -1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.472 0.083 -1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.228 0.145 0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.376 1.871 0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.172 2.106 -0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.081 0.479 -0.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.755 0.703 1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.027 -0.389 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.115 1.187 2.200 1.00 0.00 H new ATOM 256 N LEU A 12 8.829 3.917 -4.108 1.00 0.00 N ATOM 257 CA LEU A 12 9.093 4.925 -5.130 1.00 0.00 C ATOM 258 C LEU A 12 8.119 6.092 -5.009 1.00 0.00 C ATOM 259 O LEU A 12 8.485 7.245 -5.231 1.00 0.00 O ATOM 260 CB LEU A 12 8.993 4.304 -6.524 1.00 0.00 C ATOM 261 CG LEU A 12 9.562 5.138 -7.673 1.00 0.00 C ATOM 262 CD1 LEU A 12 8.521 6.122 -8.184 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.819 5.871 -7.228 1.00 0.00 C ATOM 0 H LEU A 12 8.424 3.051 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 12 10.104 5.304 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.507 3.343 -6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.943 4.100 -6.735 1.00 0.00 H new ATOM 0 HG LEU A 12 9.828 4.465 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.943 6.707 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.649 5.575 -8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.224 6.790 -7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.210 6.459 -8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.579 6.533 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.570 5.147 -6.911 1.00 0.00 H new ATOM 275 N ALA A 13 6.876 5.783 -4.654 1.00 0.00 N ATOM 276 CA ALA A 13 5.849 6.806 -4.499 1.00 0.00 C ATOM 277 C ALA A 13 6.154 7.714 -3.313 1.00 0.00 C ATOM 278 O ALA A 13 6.151 8.939 -3.439 1.00 0.00 O ATOM 279 CB ALA A 13 4.481 6.161 -4.335 1.00 0.00 C ATOM 0 H ALA A 13 6.556 4.832 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 13 5.843 7.419 -5.400 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.724 6.937 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.254 5.560 -5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.483 5.523 -3.451 1.00 0.00 H new ATOM 285 N ARG A 14 6.415 7.106 -2.160 1.00 0.00 N ATOM 286 CA ARG A 14 6.719 7.861 -0.950 1.00 0.00 C ATOM 287 C ARG A 14 7.876 8.827 -1.188 1.00 0.00 C ATOM 288 O ARG A 14 7.932 9.902 -0.592 1.00 0.00 O ATOM 289 CB ARG A 14 7.063 6.909 0.197 1.00 0.00 C ATOM 290 CG ARG A 14 7.323 7.615 1.517 1.00 0.00 C ATOM 291 CD ARG A 14 7.068 6.695 2.701 1.00 0.00 C ATOM 292 NE ARG A 14 7.719 7.174 3.917 1.00 0.00 N ATOM 293 CZ ARG A 14 7.254 8.177 4.653 1.00 0.00 C ATOM 294 NH1 ARG A 14 6.140 8.803 4.299 1.00 0.00 N ATOM 295 NH2 ARG A 14 7.903 8.556 5.747 1.00 0.00 N ATOM 0 H ARG A 14 6.422 6.093 -2.038 1.00 0.00 H new ATOM 0 HA ARG A 14 5.835 8.439 -0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.245 6.201 0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.945 6.329 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.354 7.968 1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.683 8.494 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.995 6.614 2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.430 5.694 2.467 1.00 0.00 H new ATOM 0 HE ARG A 14 8.578 6.713 4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.638 8.515 3.459 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.785 9.573 4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.760 8.077 6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.545 9.326 6.311 1.00 0.00 H new ATOM 309 N GLU A 15 8.797 8.435 -2.064 1.00 0.00 N ATOM 310 CA GLU A 15 9.953 9.266 -2.379 1.00 0.00 C ATOM 311 C GLU A 15 9.528 10.529 -3.123 1.00 0.00 C ATOM 312 O GLU A 15 10.005 11.626 -2.829 1.00 0.00 O ATOM 313 CB GLU A 15 10.960 8.480 -3.221 1.00 0.00 C ATOM 314 CG GLU A 15 12.315 9.157 -3.338 1.00 0.00 C ATOM 315 CD GLU A 15 13.446 8.168 -3.544 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.666 7.324 -2.650 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.110 8.238 -4.599 1.00 0.00 O ATOM 0 H GLU A 15 8.765 7.548 -2.567 1.00 0.00 H new ATOM 0 HA GLU A 15 10.425 9.558 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.094 7.491 -2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.549 8.333 -4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.295 9.859 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.506 9.738 -2.436 1.00 0.00 H new ATOM 324 N TYR A 16 8.629 10.366 -4.087 1.00 0.00 N ATOM 325 CA TYR A 16 8.142 11.492 -4.875 1.00 0.00 C ATOM 326 C TYR A 16 7.510 12.552 -3.979 1.00 0.00 C ATOM 327 O TYR A 16 7.717 13.750 -4.173 1.00 0.00 O ATOM 328 CB TYR A 16 7.124 11.013 -5.913 1.00 0.00 C ATOM 329 CG TYR A 16 7.752 10.323 -7.102 1.00 0.00 C ATOM 330 CD1 TYR A 16 8.795 9.420 -6.937 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.301 10.573 -8.393 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.372 8.788 -8.021 1.00 0.00 C ATOM 333 CE2 TYR A 16 7.871 9.944 -9.483 1.00 0.00 C ATOM 334 CZ TYR A 16 8.906 9.053 -9.292 1.00 0.00 C ATOM 335 OH TYR A 16 9.477 8.424 -10.375 1.00 0.00 O ATOM 0 H TYR A 16 8.223 9.466 -4.342 1.00 0.00 H new ATOM 0 HA TYR A 16 8.994 11.938 -5.389 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.424 10.328 -5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.545 11.868 -6.263 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.161 9.209 -5.943 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.491 11.271 -8.546 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.183 8.090 -7.874 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.508 10.149 -10.479 1.00 0.00 H new ATOM 0 HH TYR A 16 9.033 8.720 -11.197 1.00 0.00 H new ATOM 345 N ALA A 17 6.737 12.102 -2.995 1.00 0.00 N ATOM 346 CA ALA A 17 6.076 13.010 -2.066 1.00 0.00 C ATOM 347 C ALA A 17 7.080 13.957 -1.417 1.00 0.00 C ATOM 348 O ALA A 17 6.797 15.141 -1.224 1.00 0.00 O ATOM 349 CB ALA A 17 5.326 12.223 -1.002 1.00 0.00 C ATOM 0 H ALA A 17 6.554 11.114 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 17 5.361 13.610 -2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.837 12.914 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.575 11.592 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.028 11.598 -0.450 1.00 0.00 H new ATOM 355 N LEU A 18 8.252 13.430 -1.082 1.00 0.00 N ATOM 356 CA LEU A 18 9.299 14.229 -0.453 1.00 0.00 C ATOM 357 C LEU A 18 9.956 15.161 -1.467 1.00 0.00 C ATOM 358 O LEU A 18 10.031 16.372 -1.256 1.00 0.00 O ATOM 359 CB LEU A 18 10.353 13.319 0.178 1.00 0.00 C ATOM 360 CG LEU A 18 9.837 12.013 0.783 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.971 11.245 1.444 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.725 12.292 1.784 1.00 0.00 C ATOM 0 H LEU A 18 8.502 12.453 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 18 8.839 14.836 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.096 13.076 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.867 13.879 0.959 1.00 0.00 H new ATOM 0 HG LEU A 18 9.430 11.399 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.584 10.319 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.734 11.013 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.408 11.852 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.370 11.351 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.106 12.926 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.901 12.799 1.281 1.00 0.00 H new ATOM 374 N LEU A 19 10.428 14.588 -2.569 1.00 0.00 N ATOM 375 CA LEU A 19 11.077 15.367 -3.618 1.00 0.00 C ATOM 376 C LEU A 19 10.285 16.635 -3.924 1.00 0.00 C ATOM 377 O LEU A 19 10.860 17.691 -4.183 1.00 0.00 O ATOM 378 CB LEU A 19 11.226 14.527 -4.887 1.00 0.00 C ATOM 379 CG LEU A 19 12.030 13.234 -4.745 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.477 12.730 -6.108 1.00 0.00 C ATOM 381 CD2 LEU A 19 13.231 13.450 -3.834 1.00 0.00 C ATOM 0 H LEU A 19 10.373 13.587 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 19 12.066 15.655 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.230 14.274 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.698 15.143 -5.653 1.00 0.00 H new ATOM 0 HG LEU A 19 11.388 12.478 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.048 11.809 -5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.602 12.536 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.102 13.483 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.792 12.520 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.874 14.222 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.888 13.763 -2.848 1.00 0.00 H new ATOM 393 N GLY A 20 8.961 16.522 -3.890 1.00 0.00 N ATOM 394 CA GLY A 20 8.111 17.666 -4.163 1.00 0.00 C ATOM 395 C GLY A 20 6.880 17.295 -4.966 1.00 0.00 C ATOM 396 O GLY A 20 5.935 18.077 -5.061 1.00 0.00 O ATOM 0 H GLY A 20 8.462 15.658 -3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.803 18.119 -3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.683 18.418 -4.707 1.00 0.00 H new ATOM 400 N ASN A 21 6.892 16.100 -5.546 1.00 0.00 N ATOM 401 CA ASN A 21 5.768 15.628 -6.347 1.00 0.00 C ATOM 402 C ASN A 21 4.940 14.606 -5.574 1.00 0.00 C ATOM 403 O ASN A 21 5.369 13.470 -5.372 1.00 0.00 O ATOM 404 CB ASN A 21 6.270 15.011 -7.654 1.00 0.00 C ATOM 405 CG ASN A 21 5.277 15.175 -8.789 1.00 0.00 C ATOM 406 OD1 ASN A 21 4.937 14.210 -9.475 1.00 0.00 O ATOM 407 ND2 ASN A 21 4.808 16.400 -8.993 1.00 0.00 N ATOM 0 H ASN A 21 7.667 15.441 -5.477 1.00 0.00 H new ATOM 0 HA ASN A 21 5.133 16.484 -6.577 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.216 15.476 -7.932 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.469 13.951 -7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.138 16.571 -9.743 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.118 17.170 -8.400 1.00 0.00 H new ATOM 414 N TYR A 22 3.752 15.017 -5.146 1.00 0.00 N ATOM 415 CA TYR A 22 2.864 14.139 -4.393 1.00 0.00 C ATOM 416 C TYR A 22 1.845 13.475 -5.315 1.00 0.00 C ATOM 417 O TYR A 22 1.545 12.289 -5.175 1.00 0.00 O ATOM 418 CB TYR A 22 2.142 14.925 -3.298 1.00 0.00 C ATOM 419 CG TYR A 22 3.029 15.917 -2.580 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.375 17.125 -3.172 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.521 15.646 -1.309 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.186 18.034 -2.520 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.331 16.549 -0.649 1.00 0.00 C ATOM 424 CZ TYR A 22 4.661 17.742 -1.258 1.00 0.00 C ATOM 425 OH TYR A 22 5.468 18.644 -0.605 1.00 0.00 O ATOM 0 H TYR A 22 3.381 15.953 -5.308 1.00 0.00 H new ATOM 0 HA TYR A 22 3.471 13.360 -3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.299 15.457 -3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.731 14.225 -2.571 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.004 17.358 -4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.265 14.713 -0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.447 18.968 -2.996 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.704 16.322 0.339 1.00 0.00 H new ATOM 0 HH TYR A 22 5.715 18.286 0.273 1.00 0.00 H new ATOM 435 N ASP A 23 1.318 14.249 -6.257 1.00 0.00 N ATOM 436 CA ASP A 23 0.333 13.738 -7.204 1.00 0.00 C ATOM 437 C ASP A 23 0.829 12.454 -7.862 1.00 0.00 C ATOM 438 O ASP A 23 0.060 11.516 -8.072 1.00 0.00 O ATOM 439 CB ASP A 23 0.028 14.789 -8.272 1.00 0.00 C ATOM 440 CG ASP A 23 -1.286 14.528 -8.981 1.00 0.00 C ATOM 441 OD1 ASP A 23 -2.329 15.015 -8.496 1.00 0.00 O ATOM 442 OD2 ASP A 23 -1.272 13.839 -10.022 1.00 0.00 O ATOM 0 H ASP A 23 1.556 15.232 -6.386 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.582 13.514 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.002 15.775 -7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.836 14.804 -9.004 1.00 0.00 H new ATOM 447 N SER A 24 2.117 12.421 -8.187 1.00 0.00 N ATOM 448 CA SER A 24 2.715 11.254 -8.827 1.00 0.00 C ATOM 449 C SER A 24 2.690 10.049 -7.891 1.00 0.00 C ATOM 450 O SER A 24 2.650 8.903 -8.337 1.00 0.00 O ATOM 451 CB SER A 24 4.154 11.558 -9.248 1.00 0.00 C ATOM 452 OG SER A 24 4.195 12.135 -10.541 1.00 0.00 O ATOM 0 H SER A 24 2.767 13.189 -8.018 1.00 0.00 H new ATOM 0 HA SER A 24 2.128 11.016 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.611 12.237 -8.528 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.741 10.640 -9.237 1.00 0.00 H new ATOM 0 HG SER A 24 4.604 13.024 -10.490 1.00 0.00 H new ATOM 458 N ALA A 25 2.715 10.319 -6.589 1.00 0.00 N ATOM 459 CA ALA A 25 2.694 9.258 -5.590 1.00 0.00 C ATOM 460 C ALA A 25 1.310 8.626 -5.488 1.00 0.00 C ATOM 461 O ALA A 25 1.182 7.414 -5.323 1.00 0.00 O ATOM 462 CB ALA A 25 3.129 9.800 -4.236 1.00 0.00 C ATOM 0 H ALA A 25 2.750 11.262 -6.203 1.00 0.00 H new ATOM 0 HA ALA A 25 3.395 8.485 -5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.109 8.997 -3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.141 10.198 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.449 10.594 -3.926 1.00 0.00 H new ATOM 468 N MET A 26 0.277 9.456 -5.589 1.00 0.00 N ATOM 469 CA MET A 26 -1.098 8.978 -5.509 1.00 0.00 C ATOM 470 C MET A 26 -1.354 7.885 -6.542 1.00 0.00 C ATOM 471 O MET A 26 -1.776 6.780 -6.201 1.00 0.00 O ATOM 472 CB MET A 26 -2.077 10.135 -5.720 1.00 0.00 C ATOM 473 CG MET A 26 -2.348 10.938 -4.458 1.00 0.00 C ATOM 474 SD MET A 26 -0.907 11.870 -3.904 1.00 0.00 S ATOM 475 CE MET A 26 -0.105 10.660 -2.855 1.00 0.00 C ATOM 0 H MET A 26 0.366 10.463 -5.726 1.00 0.00 H new ATOM 0 HA MET A 26 -1.253 8.558 -4.515 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.680 10.801 -6.487 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.019 9.739 -6.098 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.173 11.627 -4.641 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.666 10.263 -3.664 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.887 11.018 -2.579 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.699 10.508 -1.954 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.014 9.716 -3.392 1.00 0.00 H new ATOM 485 N VAL A 27 -1.097 8.201 -7.808 1.00 0.00 N ATOM 486 CA VAL A 27 -1.299 7.246 -8.890 1.00 0.00 C ATOM 487 C VAL A 27 -0.596 5.926 -8.597 1.00 0.00 C ATOM 488 O VAL A 27 -1.114 4.853 -8.907 1.00 0.00 O ATOM 489 CB VAL A 27 -0.785 7.802 -10.232 1.00 0.00 C ATOM 490 CG1 VAL A 27 -1.061 9.294 -10.333 1.00 0.00 C ATOM 491 CG2 VAL A 27 0.700 7.513 -10.394 1.00 0.00 C ATOM 0 H VAL A 27 -0.749 9.111 -8.109 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.373 7.073 -8.963 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.319 7.303 -11.041 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.691 9.669 -11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.134 9.471 -10.265 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.556 9.813 -9.519 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.047 7.912 -11.347 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.253 7.983 -9.581 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.866 6.436 -10.370 1.00 0.00 H new ATOM 501 N TYR A 28 0.585 6.012 -7.996 1.00 0.00 N ATOM 502 CA TYR A 28 1.361 4.824 -7.662 1.00 0.00 C ATOM 503 C TYR A 28 0.713 4.055 -6.515 1.00 0.00 C ATOM 504 O TYR A 28 0.507 2.844 -6.601 1.00 0.00 O ATOM 505 CB TYR A 28 2.792 5.212 -7.287 1.00 0.00 C ATOM 506 CG TYR A 28 3.757 5.166 -8.450 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.763 6.167 -9.414 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.664 4.122 -8.585 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.642 6.129 -10.478 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.548 4.077 -9.645 1.00 0.00 C ATOM 511 CZ TYR A 28 5.533 5.082 -10.590 1.00 0.00 C ATOM 512 OH TYR A 28 6.411 5.041 -11.648 1.00 0.00 O ATOM 0 H TYR A 28 1.026 6.892 -7.730 1.00 0.00 H new ATOM 0 HA TYR A 28 1.386 4.179 -8.540 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.789 6.218 -6.868 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.148 4.542 -6.504 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.068 6.989 -9.329 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.678 3.332 -7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.632 6.915 -11.219 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.248 3.259 -9.734 1.00 0.00 H new ATOM 0 HH TYR A 28 6.970 4.239 -11.578 1.00 0.00 H new ATOM 522 N TYR A 29 0.394 4.768 -5.440 1.00 0.00 N ATOM 523 CA TYR A 29 -0.229 4.154 -4.273 1.00 0.00 C ATOM 524 C TYR A 29 -1.498 3.403 -4.665 1.00 0.00 C ATOM 525 O TYR A 29 -1.642 2.215 -4.379 1.00 0.00 O ATOM 526 CB TYR A 29 -0.556 5.218 -3.225 1.00 0.00 C ATOM 527 CG TYR A 29 0.555 5.443 -2.223 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.761 4.554 -1.174 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.397 6.543 -2.325 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.773 4.755 -0.257 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.413 6.751 -1.412 1.00 0.00 C ATOM 532 CZ TYR A 29 2.597 5.855 -0.380 1.00 0.00 C ATOM 533 OH TYR A 29 3.607 6.060 0.532 1.00 0.00 O ATOM 0 H TYR A 29 0.557 5.771 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 29 0.477 3.440 -3.849 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.774 6.159 -3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.461 4.925 -2.692 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.118 3.692 -1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.255 7.247 -3.131 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.919 4.055 0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.060 7.611 -1.506 1.00 0.00 H new ATOM 0 HH TYR A 29 4.095 6.878 0.302 1.00 0.00 H new ATOM 543 N GLN A 30 -2.415 4.107 -5.322 1.00 0.00 N ATOM 544 CA GLN A 30 -3.672 3.508 -5.753 1.00 0.00 C ATOM 545 C GLN A 30 -3.424 2.211 -6.517 1.00 0.00 C ATOM 546 O GLN A 30 -4.220 1.276 -6.447 1.00 0.00 O ATOM 547 CB GLN A 30 -4.454 4.488 -6.630 1.00 0.00 C ATOM 548 CG GLN A 30 -5.770 3.927 -7.144 1.00 0.00 C ATOM 549 CD GLN A 30 -6.906 4.106 -6.155 1.00 0.00 C ATOM 550 OE1 GLN A 30 -6.846 3.377 -5.047 1.00 0.00 O flip ATOM 551 NE2 GLN A 30 -7.827 4.890 -6.385 1.00 0.00 N flip ATOM 0 H GLN A 30 -2.311 5.092 -5.567 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.259 3.278 -4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.653 5.395 -6.059 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.835 4.776 -7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.029 4.419 -8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.648 2.866 -7.363 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.833 5.430 -7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.584 4.999 -5.711 1.00 0.00 H new ATOM 560 N GLY A 31 -2.313 2.163 -7.246 1.00 0.00 N ATOM 561 CA GLY A 31 -1.980 0.976 -8.013 1.00 0.00 C ATOM 562 C GLY A 31 -1.524 -0.172 -7.135 1.00 0.00 C ATOM 563 O GLY A 31 -1.892 -1.324 -7.366 1.00 0.00 O ATOM 0 H GLY A 31 -1.638 2.924 -7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.850 0.664 -8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.193 1.218 -8.728 1.00 0.00 H new ATOM 567 N VAL A 32 -0.718 0.141 -6.124 1.00 0.00 N ATOM 568 CA VAL A 32 -0.211 -0.874 -5.209 1.00 0.00 C ATOM 569 C VAL A 32 -1.343 -1.508 -4.408 1.00 0.00 C ATOM 570 O VAL A 32 -1.364 -2.720 -4.193 1.00 0.00 O ATOM 571 CB VAL A 32 0.824 -0.283 -4.233 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.277 -1.335 -3.233 1.00 0.00 C ATOM 573 CG2 VAL A 32 2.011 0.285 -4.997 1.00 0.00 C ATOM 0 H VAL A 32 -0.403 1.089 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 32 0.270 -1.638 -5.820 1.00 0.00 H new ATOM 0 HB VAL A 32 0.354 0.530 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.008 -0.899 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.418 -1.690 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.731 -2.171 -3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.733 0.699 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.483 -0.508 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.668 1.072 -5.669 1.00 0.00 H new ATOM 583 N LEU A 33 -2.284 -0.680 -3.968 1.00 0.00 N ATOM 584 CA LEU A 33 -3.422 -1.158 -3.191 1.00 0.00 C ATOM 585 C LEU A 33 -4.321 -2.055 -4.036 1.00 0.00 C ATOM 586 O LEU A 33 -4.887 -3.029 -3.539 1.00 0.00 O ATOM 587 CB LEU A 33 -4.227 0.023 -2.648 1.00 0.00 C ATOM 588 CG LEU A 33 -3.620 0.756 -1.450 1.00 0.00 C ATOM 589 CD1 LEU A 33 -3.134 -0.238 -0.407 1.00 0.00 C ATOM 590 CD2 LEU A 33 -2.482 1.660 -1.900 1.00 0.00 C ATOM 0 H LEU A 33 -2.281 0.326 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.039 -1.743 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.368 0.742 -3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.216 -0.337 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.393 1.377 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.705 0.301 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.972 -0.844 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.375 -0.885 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.062 2.174 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.707 1.060 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.860 2.395 -2.610 1.00 0.00 H new ATOM 602 N ASP A 34 -4.444 -1.722 -5.316 1.00 0.00 N ATOM 603 CA ASP A 34 -5.271 -2.499 -6.232 1.00 0.00 C ATOM 604 C ASP A 34 -4.645 -3.862 -6.507 1.00 0.00 C ATOM 605 O ASP A 34 -5.337 -4.879 -6.531 1.00 0.00 O ATOM 606 CB ASP A 34 -5.466 -1.740 -7.546 1.00 0.00 C ATOM 607 CG ASP A 34 -6.572 -0.706 -7.458 1.00 0.00 C ATOM 608 OD1 ASP A 34 -6.846 -0.223 -6.339 1.00 0.00 O ATOM 609 OD2 ASP A 34 -7.162 -0.378 -8.509 1.00 0.00 O ATOM 0 H ASP A 34 -3.982 -0.919 -5.743 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.242 -2.653 -5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.533 -1.248 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.698 -2.449 -8.341 1.00 0.00 H new ATOM 614 N GLN A 35 -3.332 -3.874 -6.713 1.00 0.00 N ATOM 615 CA GLN A 35 -2.613 -5.112 -6.988 1.00 0.00 C ATOM 616 C GLN A 35 -2.471 -5.951 -5.722 1.00 0.00 C ATOM 617 O GLN A 35 -2.457 -7.180 -5.779 1.00 0.00 O ATOM 618 CB GLN A 35 -1.231 -4.807 -7.569 1.00 0.00 C ATOM 619 CG GLN A 35 -1.278 -4.016 -8.866 1.00 0.00 C ATOM 620 CD GLN A 35 -1.797 -4.837 -10.031 1.00 0.00 C ATOM 621 OE1 GLN A 35 -3.116 -4.955 -10.131 1.00 0.00 O flip ATOM 622 NE2 GLN A 35 -1.022 -5.359 -10.832 1.00 0.00 N flip ATOM 0 H GLN A 35 -2.745 -3.040 -6.695 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.188 -5.682 -7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.652 -4.249 -6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.704 -5.745 -7.744 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.914 -3.141 -8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.278 -3.650 -9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.015 -5.243 -10.717 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.387 -5.908 -11.611 1.00 0.00 H new ATOM 631 N MET A 36 -2.366 -5.278 -4.581 1.00 0.00 N ATOM 632 CA MET A 36 -2.226 -5.963 -3.301 1.00 0.00 C ATOM 633 C MET A 36 -3.436 -6.850 -3.023 1.00 0.00 C ATOM 634 O MET A 36 -3.292 -8.010 -2.641 1.00 0.00 O ATOM 635 CB MET A 36 -2.055 -4.946 -2.170 1.00 0.00 C ATOM 636 CG MET A 36 -0.605 -4.583 -1.895 1.00 0.00 C ATOM 637 SD MET A 36 0.172 -5.684 -0.697 1.00 0.00 S ATOM 638 CE MET A 36 -0.782 -5.312 0.773 1.00 0.00 C ATOM 0 H MET A 36 -2.375 -4.260 -4.516 1.00 0.00 H new ATOM 0 HA MET A 36 -1.339 -6.594 -3.351 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.607 -4.040 -2.420 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.499 -5.349 -1.260 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.043 -4.614 -2.829 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.555 -3.558 -1.527 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.165 -5.472 1.657 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.108 -4.272 0.742 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.654 -5.965 0.816 1.00 0.00 H new ATOM 648 N ASN A 37 -4.628 -6.295 -3.218 1.00 0.00 N ATOM 649 CA ASN A 37 -5.863 -7.036 -2.987 1.00 0.00 C ATOM 650 C ASN A 37 -5.868 -8.342 -3.776 1.00 0.00 C ATOM 651 O ASN A 37 -6.183 -9.404 -3.238 1.00 0.00 O ATOM 652 CB ASN A 37 -7.073 -6.186 -3.379 1.00 0.00 C ATOM 653 CG ASN A 37 -7.623 -5.390 -2.211 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.476 -5.783 -1.053 1.00 0.00 O ATOM 655 ND2 ASN A 37 -8.261 -4.264 -2.510 1.00 0.00 N ATOM 0 H ASN A 37 -4.765 -5.335 -3.535 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.923 -7.273 -1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.790 -5.503 -4.180 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.856 -6.833 -3.775 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.653 -3.687 -1.766 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.359 -3.977 -3.484 1.00 0.00 H new ATOM 662 N LYS A 38 -5.518 -8.256 -5.055 1.00 0.00 N ATOM 663 CA LYS A 38 -5.480 -9.430 -5.918 1.00 0.00 C ATOM 664 C LYS A 38 -4.651 -10.544 -5.287 1.00 0.00 C ATOM 665 O LYS A 38 -4.987 -11.723 -5.402 1.00 0.00 O ATOM 666 CB LYS A 38 -4.902 -9.063 -7.287 1.00 0.00 C ATOM 667 CG LYS A 38 -5.696 -7.993 -8.015 1.00 0.00 C ATOM 668 CD LYS A 38 -5.034 -7.602 -9.326 1.00 0.00 C ATOM 669 CE LYS A 38 -6.059 -7.149 -10.355 1.00 0.00 C ATOM 670 NZ LYS A 38 -6.575 -8.289 -11.163 1.00 0.00 N ATOM 0 H LYS A 38 -5.257 -7.385 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.501 -9.789 -6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.876 -8.718 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.862 -9.959 -7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.705 -8.357 -8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.792 -7.113 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.317 -6.801 -9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.473 -8.450 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.890 -6.658 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.607 -6.410 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.271 -7.939 -11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.786 -8.743 -11.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.029 -8.982 -10.535 1.00 0.00 H new ATOM 684 N TYR A 39 -3.567 -10.163 -4.619 1.00 0.00 N ATOM 685 CA TYR A 39 -2.690 -11.130 -3.970 1.00 0.00 C ATOM 686 C TYR A 39 -3.387 -11.786 -2.783 1.00 0.00 C ATOM 687 O TYR A 39 -3.433 -13.013 -2.675 1.00 0.00 O ATOM 688 CB TYR A 39 -1.401 -10.449 -3.507 1.00 0.00 C ATOM 689 CG TYR A 39 -0.429 -11.390 -2.831 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.671 -11.867 -1.548 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.731 -11.802 -3.475 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.214 -12.725 -0.927 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.622 -12.662 -2.861 1.00 0.00 C ATOM 694 CZ TYR A 39 1.359 -13.120 -1.587 1.00 0.00 C ATOM 695 OH TYR A 39 2.243 -13.977 -0.972 1.00 0.00 O ATOM 0 H TYR A 39 -3.275 -9.191 -4.513 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.443 -11.905 -4.696 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.912 -9.991 -4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.653 -9.643 -2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.567 -11.561 -1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.940 -11.444 -4.472 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.011 -13.085 0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.519 -12.973 -3.376 1.00 0.00 H new ATOM 0 HH TYR A 39 2.996 -14.157 -1.573 1.00 0.00 H new ATOM 705 N LEU A 40 -3.929 -10.962 -1.893 1.00 0.00 N ATOM 706 CA LEU A 40 -4.625 -11.460 -0.712 1.00 0.00 C ATOM 707 C LEU A 40 -5.782 -12.373 -1.107 1.00 0.00 C ATOM 708 O LEU A 40 -6.099 -13.331 -0.401 1.00 0.00 O ATOM 709 CB LEU A 40 -5.145 -10.293 0.128 1.00 0.00 C ATOM 710 CG LEU A 40 -4.294 -9.023 0.113 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.736 -8.070 1.213 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.819 -9.368 0.265 1.00 0.00 C ATOM 0 H LEU A 40 -3.900 -9.945 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.916 -12.038 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.146 -10.039 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.242 -10.629 1.160 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.434 -8.526 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.119 -7.172 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.780 -7.797 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.626 -8.557 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.228 -8.452 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.662 -9.888 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.509 -10.011 -0.558 1.00 0.00 H new ATOM 724 N TYR A 41 -6.407 -12.070 -2.239 1.00 0.00 N ATOM 725 CA TYR A 41 -7.529 -12.863 -2.728 1.00 0.00 C ATOM 726 C TYR A 41 -7.047 -14.189 -3.308 1.00 0.00 C ATOM 727 O TYR A 41 -7.821 -15.136 -3.449 1.00 0.00 O ATOM 728 CB TYR A 41 -8.309 -12.083 -3.788 1.00 0.00 C ATOM 729 CG TYR A 41 -9.790 -12.388 -3.797 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.270 -13.584 -4.317 1.00 0.00 C ATOM 731 CD2 TYR A 41 -10.709 -11.481 -3.284 1.00 0.00 C ATOM 732 CE1 TYR A 41 -11.622 -13.866 -4.329 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.063 -11.755 -3.290 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.514 -12.949 -3.813 1.00 0.00 C ATOM 735 OH TYR A 41 -13.862 -13.227 -3.821 1.00 0.00 O ATOM 0 H TYR A 41 -6.156 -11.281 -2.835 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.187 -13.074 -1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.168 -11.016 -3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.894 -12.308 -4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.574 -14.305 -4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.359 -10.546 -2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.979 -14.799 -4.740 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.764 -11.039 -2.888 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.353 -12.479 -3.421 1.00 0.00 H new ATOM 745 N SER A 42 -5.762 -14.250 -3.641 1.00 0.00 N ATOM 746 CA SER A 42 -5.175 -15.458 -4.209 1.00 0.00 C ATOM 747 C SER A 42 -4.564 -16.330 -3.117 1.00 0.00 C ATOM 748 O SER A 42 -4.005 -17.391 -3.394 1.00 0.00 O ATOM 749 CB SER A 42 -4.109 -15.095 -5.244 1.00 0.00 C ATOM 750 OG SER A 42 -4.690 -14.485 -6.383 1.00 0.00 O ATOM 0 H SER A 42 -5.107 -13.477 -3.527 1.00 0.00 H new ATOM 0 HA SER A 42 -5.969 -16.022 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.380 -14.419 -4.798 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.569 -15.993 -5.544 1.00 0.00 H new ATOM 0 HG SER A 42 -4.852 -13.536 -6.199 1.00 0.00 H new ATOM 756 N VAL A 43 -4.676 -15.875 -1.873 1.00 0.00 N ATOM 757 CA VAL A 43 -4.136 -16.613 -0.738 1.00 0.00 C ATOM 758 C VAL A 43 -5.007 -17.818 -0.401 1.00 0.00 C ATOM 759 O VAL A 43 -6.234 -17.754 -0.483 1.00 0.00 O ATOM 760 CB VAL A 43 -4.016 -15.716 0.509 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.441 -16.501 1.678 1.00 0.00 C ATOM 762 CG2 VAL A 43 -3.163 -14.493 0.205 1.00 0.00 C ATOM 0 H VAL A 43 -5.136 -14.999 -1.626 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.143 -16.956 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.013 -15.375 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.364 -15.851 2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.095 -17.341 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.451 -16.874 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.089 -13.870 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.166 -14.811 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.623 -13.920 -0.600 1.00 0.00 H new ATOM 772 N LYS A 44 -4.365 -18.918 -0.022 1.00 0.00 N ATOM 773 CA LYS A 44 -5.079 -20.139 0.330 1.00 0.00 C ATOM 774 C LYS A 44 -5.303 -20.224 1.836 1.00 0.00 C ATOM 775 O LYS A 44 -6.329 -20.728 2.293 1.00 0.00 O ATOM 776 CB LYS A 44 -4.301 -21.366 -0.151 1.00 0.00 C ATOM 777 CG LYS A 44 -4.111 -21.414 -1.657 1.00 0.00 C ATOM 778 CD LYS A 44 -3.024 -20.454 -2.113 1.00 0.00 C ATOM 779 CE LYS A 44 -2.464 -20.851 -3.470 1.00 0.00 C ATOM 780 NZ LYS A 44 -1.056 -20.396 -3.643 1.00 0.00 N ATOM 0 H LYS A 44 -3.350 -18.989 0.049 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.051 -20.116 -0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.323 -21.378 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.825 -22.267 0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.852 -22.429 -1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.050 -21.164 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.429 -19.443 -2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.220 -20.437 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.512 -21.934 -3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.084 -20.423 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.710 -20.686 -4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.014 -19.360 -3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.460 -20.824 -2.906 1.00 0.00 H new ATOM 794 N ASP A 45 -4.338 -19.728 2.602 1.00 0.00 N ATOM 795 CA ASP A 45 -4.431 -19.746 4.057 1.00 0.00 C ATOM 796 C ASP A 45 -5.046 -18.450 4.578 1.00 0.00 C ATOM 797 O ASP A 45 -4.500 -17.365 4.377 1.00 0.00 O ATOM 798 CB ASP A 45 -3.048 -19.953 4.676 1.00 0.00 C ATOM 799 CG ASP A 45 -2.574 -21.389 4.567 1.00 0.00 C ATOM 800 OD1 ASP A 45 -2.126 -21.785 3.470 1.00 0.00 O ATOM 801 OD2 ASP A 45 -2.651 -22.117 5.579 1.00 0.00 O ATOM 0 H ASP A 45 -3.482 -19.308 2.239 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.077 -20.576 4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.330 -19.298 4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.076 -19.661 5.726 1.00 0.00 H new ATOM 806 N THR A 46 -6.188 -18.571 5.249 1.00 0.00 N ATOM 807 CA THR A 46 -6.879 -17.411 5.797 1.00 0.00 C ATOM 808 C THR A 46 -5.948 -16.580 6.672 1.00 0.00 C ATOM 809 O THR A 46 -5.890 -15.356 6.547 1.00 0.00 O ATOM 810 CB THR A 46 -8.108 -17.828 6.625 1.00 0.00 C ATOM 811 OG1 THR A 46 -7.710 -18.708 7.683 1.00 0.00 O ATOM 812 CG2 THR A 46 -9.143 -18.517 5.749 1.00 0.00 C ATOM 0 H THR A 46 -6.653 -19.461 5.426 1.00 0.00 H new ATOM 0 HA THR A 46 -7.209 -16.810 4.950 1.00 0.00 H new ATOM 0 HB THR A 46 -8.555 -16.929 7.049 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.497 -18.967 8.206 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.002 -18.802 6.356 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.465 -17.835 4.962 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.704 -19.408 5.300 1.00 0.00 H new ATOM 820 N HIS A 47 -5.221 -17.252 7.559 1.00 0.00 N ATOM 821 CA HIS A 47 -4.291 -16.574 8.456 1.00 0.00 C ATOM 822 C HIS A 47 -3.238 -15.803 7.665 1.00 0.00 C ATOM 823 O HIS A 47 -2.751 -14.763 8.110 1.00 0.00 O ATOM 824 CB HIS A 47 -3.612 -17.586 9.380 1.00 0.00 C ATOM 825 CG HIS A 47 -2.397 -18.224 8.780 1.00 0.00 C ATOM 826 ND1 HIS A 47 -1.174 -17.592 8.706 1.00 0.00 N ATOM 827 CD2 HIS A 47 -2.221 -19.446 8.225 1.00 0.00 C ATOM 828 CE1 HIS A 47 -0.299 -18.397 8.130 1.00 0.00 C ATOM 829 NE2 HIS A 47 -0.909 -19.529 7.829 1.00 0.00 N ATOM 0 H HIS A 47 -5.258 -18.265 7.676 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.858 -15.865 9.060 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.330 -17.087 10.307 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.329 -18.364 9.642 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.973 -20.213 8.114 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.739 -18.168 7.938 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.476 -20.334 7.376 1.00 0.00 H new ATOM 838 N LEU A 48 -2.891 -16.320 6.492 1.00 0.00 N ATOM 839 CA LEU A 48 -1.895 -15.680 5.639 1.00 0.00 C ATOM 840 C LEU A 48 -2.408 -14.345 5.109 1.00 0.00 C ATOM 841 O LEU A 48 -1.747 -13.316 5.247 1.00 0.00 O ATOM 842 CB LEU A 48 -1.529 -16.599 4.471 1.00 0.00 C ATOM 843 CG LEU A 48 -0.475 -16.064 3.501 1.00 0.00 C ATOM 844 CD1 LEU A 48 -1.008 -14.854 2.749 1.00 0.00 C ATOM 845 CD2 LEU A 48 0.804 -15.711 4.245 1.00 0.00 C ATOM 0 H LEU A 48 -3.284 -17.180 6.110 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.005 -15.493 6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.173 -17.546 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.436 -16.816 3.907 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.246 -16.845 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.245 -14.487 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.896 -15.139 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.266 -14.069 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.543 -15.332 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.591 -14.947 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.196 -16.601 4.737 1.00 0.00 H new ATOM 857 N ARG A 49 -3.591 -14.370 4.504 1.00 0.00 N ATOM 858 CA ARG A 49 -4.194 -13.161 3.955 1.00 0.00 C ATOM 859 C ARG A 49 -4.615 -12.209 5.070 1.00 0.00 C ATOM 860 O ARG A 49 -4.513 -10.990 4.929 1.00 0.00 O ATOM 861 CB ARG A 49 -5.404 -13.517 3.089 1.00 0.00 C ATOM 862 CG ARG A 49 -6.306 -14.573 3.708 1.00 0.00 C ATOM 863 CD ARG A 49 -7.614 -14.704 2.944 1.00 0.00 C ATOM 864 NE ARG A 49 -8.491 -13.556 3.159 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.075 -13.285 4.321 1.00 0.00 C ATOM 866 NH1 ARG A 49 -8.877 -14.075 5.367 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.860 -12.222 4.438 1.00 0.00 N ATOM 0 H ARG A 49 -4.151 -15.214 4.382 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.448 -12.661 3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.987 -12.615 2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.055 -13.873 2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.791 -15.533 3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.514 -14.313 4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.403 -14.805 1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.126 -15.615 3.255 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.665 -12.928 2.374 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.275 -14.894 5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.327 -13.864 6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.016 -11.612 3.635 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.308 -12.015 5.331 1.00 0.00 H new ATOM 881 N GLN A 50 -5.089 -12.773 6.176 1.00 0.00 N ATOM 882 CA GLN A 50 -5.526 -11.973 7.314 1.00 0.00 C ATOM 883 C GLN A 50 -4.437 -10.997 7.744 1.00 0.00 C ATOM 884 O GLN A 50 -4.718 -9.848 8.087 1.00 0.00 O ATOM 885 CB GLN A 50 -5.906 -12.880 8.485 1.00 0.00 C ATOM 886 CG GLN A 50 -7.025 -12.322 9.349 1.00 0.00 C ATOM 887 CD GLN A 50 -8.147 -11.713 8.530 1.00 0.00 C ATOM 888 OE1 GLN A 50 -9.065 -12.411 8.100 1.00 0.00 O ATOM 889 NE2 GLN A 50 -8.078 -10.406 8.311 1.00 0.00 N ATOM 0 H GLN A 50 -5.180 -13.780 6.308 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.401 -11.400 7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.209 -13.853 8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.026 -13.045 9.107 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.428 -13.119 9.974 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.618 -11.565 10.020 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.298 -9.866 8.687 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.805 -9.941 7.767 1.00 0.00 H new ATOM 898 N LYS A 51 -3.192 -11.461 7.724 1.00 0.00 N ATOM 899 CA LYS A 51 -2.059 -10.629 8.111 1.00 0.00 C ATOM 900 C LYS A 51 -1.897 -9.451 7.156 1.00 0.00 C ATOM 901 O LYS A 51 -1.805 -8.301 7.584 1.00 0.00 O ATOM 902 CB LYS A 51 -0.774 -11.460 8.135 1.00 0.00 C ATOM 903 CG LYS A 51 0.483 -10.632 8.341 1.00 0.00 C ATOM 904 CD LYS A 51 1.724 -11.378 7.881 1.00 0.00 C ATOM 905 CE LYS A 51 2.993 -10.729 8.410 1.00 0.00 C ATOM 906 NZ LYS A 51 4.148 -11.669 8.388 1.00 0.00 N ATOM 0 H LYS A 51 -2.942 -12.409 7.444 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.252 -10.240 9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.845 -12.201 8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.688 -12.008 7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.396 -9.695 7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.582 -10.375 9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.675 -12.413 8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.753 -11.401 6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.229 -9.850 7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.826 -10.383 9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.994 -11.189 8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.934 -12.496 8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.324 -11.980 7.411 1.00 0.00 H new ATOM 920 N TRP A 52 -1.864 -9.746 5.861 1.00 0.00 N ATOM 921 CA TRP A 52 -1.715 -8.710 4.845 1.00 0.00 C ATOM 922 C TRP A 52 -2.789 -7.639 4.997 1.00 0.00 C ATOM 923 O TRP A 52 -2.544 -6.461 4.741 1.00 0.00 O ATOM 924 CB TRP A 52 -1.784 -9.325 3.447 1.00 0.00 C ATOM 925 CG TRP A 52 -0.594 -10.172 3.110 1.00 0.00 C ATOM 926 CD1 TRP A 52 -0.591 -11.512 2.847 1.00 0.00 C ATOM 927 CD2 TRP A 52 0.765 -9.737 3.004 1.00 0.00 C ATOM 928 NE1 TRP A 52 0.689 -11.936 2.583 1.00 0.00 N ATOM 929 CE2 TRP A 52 1.540 -10.866 2.672 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.404 -8.503 3.154 1.00 0.00 C ATOM 931 CZ2 TRP A 52 2.918 -10.795 2.490 1.00 0.00 C ATOM 932 CZ3 TRP A 52 2.772 -8.435 2.974 1.00 0.00 C ATOM 933 CH2 TRP A 52 3.517 -9.574 2.644 1.00 0.00 C ATOM 0 H TRP A 52 -1.938 -10.693 5.490 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.740 -8.241 4.980 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.686 -9.932 3.369 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.872 -8.526 2.711 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.466 -12.145 2.847 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.962 -12.893 2.357 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.838 -7.618 3.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.494 -11.672 2.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.276 -7.487 3.090 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.585 -9.487 2.508 1.00 0.00 H new ATOM 944 N GLN A 53 -3.980 -8.057 5.416 1.00 0.00 N ATOM 945 CA GLN A 53 -5.092 -7.132 5.601 1.00 0.00 C ATOM 946 C GLN A 53 -4.711 -6.008 6.559 1.00 0.00 C ATOM 947 O GLN A 53 -5.138 -4.866 6.391 1.00 0.00 O ATOM 948 CB GLN A 53 -6.319 -7.876 6.131 1.00 0.00 C ATOM 949 CG GLN A 53 -7.543 -6.991 6.295 1.00 0.00 C ATOM 950 CD GLN A 53 -8.110 -6.527 4.968 1.00 0.00 C ATOM 951 OE1 GLN A 53 -7.634 -5.554 4.382 1.00 0.00 O ATOM 952 NE2 GLN A 53 -9.133 -7.223 4.485 1.00 0.00 N ATOM 0 H GLN A 53 -4.199 -9.029 5.633 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.332 -6.694 4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.560 -8.693 5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.074 -8.325 7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.311 -7.537 6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.280 -6.121 6.897 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.496 -8.023 5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.556 -6.958 3.595 1.00 0.00 H new ATOM 961 N GLN A 54 -3.906 -6.340 7.563 1.00 0.00 N ATOM 962 CA GLN A 54 -3.469 -5.358 8.548 1.00 0.00 C ATOM 963 C GLN A 54 -2.523 -4.340 7.919 1.00 0.00 C ATOM 964 O GLN A 54 -2.621 -3.141 8.183 1.00 0.00 O ATOM 965 CB GLN A 54 -2.779 -6.054 9.722 1.00 0.00 C ATOM 966 CG GLN A 54 -2.256 -5.093 10.778 1.00 0.00 C ATOM 967 CD GLN A 54 -1.714 -5.807 12.000 1.00 0.00 C ATOM 968 OE1 GLN A 54 -0.933 -6.752 11.886 1.00 0.00 O ATOM 969 NE2 GLN A 54 -2.127 -5.359 13.180 1.00 0.00 N ATOM 0 H GLN A 54 -3.543 -7.281 7.716 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.350 -4.831 8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.482 -6.745 10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.949 -6.651 9.343 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.469 -4.476 10.344 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.058 -4.421 11.081 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.775 -4.573 13.229 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.796 -5.801 14.038 1.00 0.00 H new ATOM 978 N VAL A 55 -1.608 -4.825 7.086 1.00 0.00 N ATOM 979 CA VAL A 55 -0.646 -3.957 6.418 1.00 0.00 C ATOM 980 C VAL A 55 -1.314 -3.134 5.323 1.00 0.00 C ATOM 981 O VAL A 55 -0.946 -1.984 5.084 1.00 0.00 O ATOM 982 CB VAL A 55 0.510 -4.769 5.802 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.493 -3.848 5.097 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.211 -5.592 6.872 1.00 0.00 C ATOM 0 H VAL A 55 -1.513 -5.815 6.858 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.245 -3.286 7.178 1.00 0.00 H new ATOM 0 HB VAL A 55 0.096 -5.454 5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.302 -4.439 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.979 -3.307 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.904 -3.137 5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.025 -6.159 6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.613 -4.928 7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.498 -6.280 7.327 1.00 0.00 H new ATOM 994 N TRP A 56 -2.299 -3.730 4.661 1.00 0.00 N ATOM 995 CA TRP A 56 -3.021 -3.052 3.590 1.00 0.00 C ATOM 996 C TRP A 56 -3.625 -1.743 4.085 1.00 0.00 C ATOM 997 O TRP A 56 -3.638 -0.745 3.366 1.00 0.00 O ATOM 998 CB TRP A 56 -4.121 -3.958 3.035 1.00 0.00 C ATOM 999 CG TRP A 56 -4.902 -3.330 1.920 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.662 -3.452 0.581 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -6.047 -2.480 2.049 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.589 -2.729 -0.130 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.450 -2.125 0.748 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.772 -1.987 3.138 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.545 -1.298 0.508 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.857 -1.167 2.898 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -8.236 -0.830 1.591 1.00 0.00 C ATOM 0 H TRP A 56 -2.616 -4.681 4.847 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.311 -2.825 2.794 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.672 -4.885 2.678 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.804 -4.225 3.842 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.861 -4.031 0.145 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.630 -2.654 -1.146 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.489 -2.243 4.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.838 -1.036 -0.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.423 -0.779 3.732 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -9.091 -0.188 1.437 1.00 0.00 H new ATOM 1018 N GLN A 57 -4.124 -1.755 5.317 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.730 -0.567 5.907 1.00 0.00 C ATOM 1020 C GLN A 57 -3.702 0.547 6.066 1.00 0.00 C ATOM 1021 O GLN A 57 -4.002 1.719 5.839 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.348 -0.905 7.265 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.555 -1.824 7.173 1.00 0.00 C ATOM 1024 CD GLN A 57 -7.465 -1.715 8.380 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -8.249 -0.773 8.498 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -7.366 -2.681 9.286 1.00 0.00 N ATOM 0 H GLN A 57 -4.121 -2.574 5.926 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.515 -0.219 5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.591 -1.375 7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.643 0.020 7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.121 -1.584 6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.215 -2.855 7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.703 -3.443 9.148 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.953 -2.661 10.120 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.487 0.174 6.457 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.415 1.144 6.647 1.00 0.00 C ATOM 1037 C GLU A 58 -1.010 1.775 5.318 1.00 0.00 C ATOM 1038 O GLU A 58 -0.894 2.996 5.209 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.202 0.475 7.297 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.326 0.322 8.804 1.00 0.00 C ATOM 1041 CD GLU A 58 1.010 0.070 9.476 1.00 0.00 C ATOM 1042 OE1 GLU A 58 1.784 -0.764 8.962 1.00 0.00 O ATOM 1043 OE2 GLU A 58 1.281 0.706 10.516 1.00 0.00 O ATOM 0 H GLU A 58 -2.221 -0.792 6.648 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.784 1.931 7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.058 -0.509 6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.689 1.061 7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.774 1.224 9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.002 -0.503 9.027 1.00 0.00 H new ATOM 1050 N ILE A 59 -0.796 0.934 4.312 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.404 1.409 2.990 1.00 0.00 C ATOM 1052 C ILE A 59 -1.453 2.353 2.413 1.00 0.00 C ATOM 1053 O ILE A 59 -1.122 3.328 1.739 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.190 0.239 2.012 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.884 -0.711 2.547 1.00 0.00 C ATOM 1056 CG2 ILE A 59 0.196 0.762 0.637 1.00 0.00 C ATOM 1057 CD1 ILE A 59 1.069 -1.952 1.702 1.00 0.00 C ATOM 0 H ILE A 59 -0.887 -0.079 4.387 1.00 0.00 H new ATOM 0 HA ILE A 59 0.537 1.945 3.113 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.125 -0.314 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.833 -0.177 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.621 -1.008 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.344 -0.077 -0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.599 1.403 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.120 1.335 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.845 -2.579 2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.133 -2.508 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.363 -1.664 0.692 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.720 2.059 2.684 1.00 0.00 N ATOM 1070 CA ASN A 60 -3.819 2.882 2.192 1.00 0.00 C ATOM 1071 C ASN A 60 -3.897 4.199 2.959 1.00 0.00 C ATOM 1072 O ASN A 60 -4.005 5.271 2.364 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.144 2.128 2.315 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.332 3.063 2.438 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.230 4.234 1.819 1.00 0.00 O flip ATOM 1076 ND2 ASN A 60 -7.330 2.736 3.080 1.00 0.00 N flip ATOM 0 H ASN A 60 -3.012 1.256 3.242 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.632 3.104 1.141 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.277 1.488 1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.108 1.475 3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.365 1.826 3.540 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.122 3.375 3.152 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.841 4.110 4.284 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.904 5.293 5.134 1.00 0.00 C ATOM 1085 C VAL A 61 -2.735 6.232 4.855 1.00 0.00 C ATOM 1086 O VAL A 61 -2.879 7.452 4.917 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.899 4.914 6.626 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -3.878 6.162 7.495 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -5.101 4.043 6.958 1.00 0.00 C ATOM 0 H VAL A 61 -3.752 3.230 4.792 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.839 5.801 4.900 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.995 4.341 6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.875 5.873 8.546 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.982 6.743 7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.762 6.765 7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.082 3.784 8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.018 4.588 6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.066 3.132 6.361 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.578 5.653 4.548 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.384 6.439 4.260 1.00 0.00 C ATOM 1101 C GLU A 62 -0.595 7.318 3.031 1.00 0.00 C ATOM 1102 O GLU A 62 -0.304 8.514 3.053 1.00 0.00 O ATOM 1103 CB GLU A 62 0.819 5.519 4.042 1.00 0.00 C ATOM 1104 CG GLU A 62 2.074 6.252 3.600 1.00 0.00 C ATOM 1105 CD GLU A 62 2.772 6.957 4.747 1.00 0.00 C ATOM 1106 OE1 GLU A 62 2.954 6.326 5.809 1.00 0.00 O ATOM 1107 OE2 GLU A 62 3.135 8.141 4.582 1.00 0.00 O ATOM 0 H GLU A 62 -1.443 4.644 4.492 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.189 7.083 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.028 4.983 4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.562 4.771 3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.763 5.542 3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.813 6.983 2.834 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.103 6.717 1.960 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.354 7.444 0.722 1.00 0.00 C ATOM 1116 C ALA A 63 -2.255 8.650 0.968 1.00 0.00 C ATOM 1117 O ALA A 63 -2.118 9.684 0.313 1.00 0.00 O ATOM 1118 CB ALA A 63 -1.975 6.521 -0.316 1.00 0.00 C ATOM 0 H ALA A 63 -1.349 5.728 1.925 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.399 7.808 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.157 7.078 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.295 5.694 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.919 6.129 0.064 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.177 8.511 1.914 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.101 9.589 2.247 1.00 0.00 C ATOM 1126 C LYS A 64 -3.368 10.745 2.921 1.00 0.00 C ATOM 1127 O LYS A 64 -3.656 11.912 2.656 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.212 9.071 3.164 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.346 10.061 3.363 1.00 0.00 C ATOM 1130 CD LYS A 64 -7.339 10.012 2.214 1.00 0.00 C ATOM 1131 CE LYS A 64 -8.380 8.923 2.423 1.00 0.00 C ATOM 1132 NZ LYS A 64 -9.499 9.030 1.446 1.00 0.00 N ATOM 0 H LYS A 64 -3.305 7.662 2.464 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.544 9.954 1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.615 8.148 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.784 8.822 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.860 9.843 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.939 11.068 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.835 10.978 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.807 9.834 1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.907 7.946 2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.775 8.988 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.187 8.270 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.967 9.953 1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.126 8.942 0.479 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.421 10.412 3.792 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.647 11.423 4.502 1.00 0.00 C ATOM 1148 C GLN A 65 -0.961 12.370 3.524 1.00 0.00 C ATOM 1149 O GLN A 65 -0.945 13.584 3.727 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.605 10.758 5.403 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.210 9.961 6.548 1.00 0.00 C ATOM 1152 CD GLN A 65 -0.215 9.686 7.658 1.00 0.00 C ATOM 1153 OE1 GLN A 65 0.271 8.565 7.808 1.00 0.00 O ATOM 1154 NE2 GLN A 65 0.094 10.711 8.443 1.00 0.00 N ATOM 0 H GLN A 65 -2.171 9.450 4.023 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.333 12.003 5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.016 10.096 4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.052 11.525 5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.061 10.507 6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.592 9.015 6.165 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.333 11.623 8.282 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.758 10.586 9.207 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.394 11.807 2.462 1.00 0.00 N ATOM 1164 CA VAL A 66 0.294 12.601 1.451 1.00 0.00 C ATOM 1165 C VAL A 66 -0.603 13.716 0.924 1.00 0.00 C ATOM 1166 O VAL A 66 -0.134 14.811 0.613 1.00 0.00 O ATOM 1167 CB VAL A 66 0.756 11.728 0.269 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.291 12.596 -0.859 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.806 10.727 0.726 1.00 0.00 C ATOM 0 H VAL A 66 -0.398 10.803 2.279 1.00 0.00 H new ATOM 0 HA VAL A 66 1.168 13.038 1.933 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.103 11.173 -0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.613 11.962 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.506 13.270 -1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.138 13.180 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.121 10.118 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.666 11.261 1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.384 10.083 1.498 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.897 13.431 0.827 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.862 14.409 0.339 1.00 0.00 C ATOM 1181 C LYS A 67 -2.814 15.684 1.175 1.00 0.00 C ATOM 1182 O LYS A 67 -3.033 16.782 0.663 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.275 13.820 0.368 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.226 14.472 -0.621 1.00 0.00 C ATOM 1185 CD LYS A 67 -4.961 14.002 -2.041 1.00 0.00 C ATOM 1186 CE LYS A 67 -5.839 14.736 -3.044 1.00 0.00 C ATOM 1187 NZ LYS A 67 -7.140 14.042 -3.253 1.00 0.00 N ATOM 0 H LYS A 67 -2.302 12.530 1.080 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.600 14.659 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.219 12.752 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.682 13.924 1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.255 14.239 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.120 15.556 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.912 14.162 -2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.145 12.930 -2.111 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.021 15.752 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.314 14.817 -3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.710 14.573 -3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.967 13.081 -3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.653 13.987 -2.350 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.526 15.531 2.463 1.00 0.00 N ATOM 1202 CA ASP A 68 -2.446 16.671 3.369 1.00 0.00 C ATOM 1203 C ASP A 68 -1.106 17.386 3.227 1.00 0.00 C ATOM 1204 O ASP A 68 -1.058 18.593 2.992 1.00 0.00 O ATOM 1205 CB ASP A 68 -2.644 16.214 4.815 1.00 0.00 C ATOM 1206 CG ASP A 68 -2.715 17.377 5.785 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -1.649 17.818 6.263 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -3.837 17.848 6.065 1.00 0.00 O ATOM 0 H ASP A 68 -2.344 14.629 2.903 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.239 17.370 3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.561 15.629 4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.823 15.556 5.101 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.021 16.632 3.372 1.00 0.00 N ATOM 1214 CA ILE A 69 1.319 17.194 3.260 1.00 0.00 C ATOM 1215 C ILE A 69 1.515 17.885 1.915 1.00 0.00 C ATOM 1216 O ILE A 69 2.380 18.747 1.769 1.00 0.00 O ATOM 1217 CB ILE A 69 2.400 16.110 3.430 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.656 15.401 2.099 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.984 15.110 4.498 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.705 14.315 2.185 1.00 0.00 C ATOM 0 H ILE A 69 -0.044 15.631 3.567 1.00 0.00 H new ATOM 0 HA ILE A 69 1.422 17.927 4.060 1.00 0.00 H new ATOM 0 HB ILE A 69 3.326 16.588 3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.722 14.966 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.967 16.138 1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.758 14.350 4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.848 15.627 5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.048 14.635 4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.834 13.856 1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.651 14.748 2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.387 13.558 2.901 1.00 0.00 H new ATOM 1232 N MET A 70 0.703 17.500 0.935 1.00 0.00 N ATOM 1233 CA MET A 70 0.786 18.085 -0.399 1.00 0.00 C ATOM 1234 C MET A 70 -0.210 19.230 -0.552 1.00 0.00 C ATOM 1235 O MET A 70 -0.074 20.070 -1.442 1.00 0.00 O ATOM 1236 CB MET A 70 0.522 17.019 -1.463 1.00 0.00 C ATOM 1237 CG MET A 70 -0.953 16.708 -1.660 1.00 0.00 C ATOM 1238 SD MET A 70 -1.261 15.704 -3.126 1.00 0.00 S ATOM 1239 CE MET A 70 -2.273 16.821 -4.094 1.00 0.00 C ATOM 0 H MET A 70 -0.019 16.787 1.039 1.00 0.00 H new ATOM 0 HA MET A 70 1.792 18.481 -0.534 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.944 17.352 -2.411 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.044 16.103 -1.185 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.331 16.186 -0.781 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.510 17.642 -1.740 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.546 16.342 -5.035 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.177 17.068 -3.537 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.713 17.733 -4.300 1.00 0.00 H new ATOM 1249 N LYS A 71 -1.212 19.259 0.320 1.00 0.00 N ATOM 1250 CA LYS A 71 -2.230 20.301 0.283 1.00 0.00 C ATOM 1251 C LYS A 71 -1.620 21.669 0.572 1.00 0.00 C ATOM 1252 O LYS A 71 -0.668 21.785 1.344 1.00 0.00 O ATOM 1253 CB LYS A 71 -3.336 19.999 1.298 1.00 0.00 C ATOM 1254 CG LYS A 71 -4.525 20.940 1.200 1.00 0.00 C ATOM 1255 CD LYS A 71 -5.383 20.628 -0.015 1.00 0.00 C ATOM 1256 CE LYS A 71 -6.752 21.284 0.087 1.00 0.00 C ATOM 1257 NZ LYS A 71 -7.576 21.039 -1.129 1.00 0.00 N ATOM 0 H LYS A 71 -1.341 18.571 1.062 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.659 20.319 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.681 18.975 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.920 20.056 2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.129 20.860 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.172 21.970 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.878 20.975 -0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.502 19.549 -0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.274 20.900 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.631 22.357 0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.501 21.502 -1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.090 21.428 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.714 20.016 -1.255 1.00 0.00 H new ATOM 1271 N THR A 72 -2.175 22.703 -0.052 1.00 0.00 N ATOM 1272 CA THR A 72 -1.686 24.063 0.139 1.00 0.00 C ATOM 1273 C THR A 72 -2.008 24.572 1.539 1.00 0.00 C ATOM 1274 O THR A 72 -1.722 25.722 1.874 1.00 0.00 O ATOM 1275 CB THR A 72 -2.290 25.028 -0.899 1.00 0.00 C ATOM 1276 OG1 THR A 72 -1.781 26.350 -0.692 1.00 0.00 O ATOM 1277 CG2 THR A 72 -3.808 25.043 -0.803 1.00 0.00 C ATOM 0 H THR A 72 -2.964 22.625 -0.694 1.00 0.00 H new ATOM 0 HA THR A 72 -0.604 24.031 0.008 1.00 0.00 H new ATOM 0 HB THR A 72 -2.008 24.682 -1.893 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.637 26.499 0.266 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.213 25.731 -1.545 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.194 24.041 -0.989 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.106 25.368 0.194 1.00 0.00 H new TER 1285 THR A 72