USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 566 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 36 CYS SG : rot 135:sc= -1.41! USER MOD Set 1.2: A 61 MET CE :methyl 177:sc= -14.4! (180deg=-13.2!) USER MOD Set 2.1: A 34 THR OG1 : rot 29:sc= -10.1! USER MOD Set 2.2: A 53 SER OG : rot -120:sc= -2.79! USER MOD Set 3.1: A 31 ASN : amide:sc= -0.535 K(o=-0.73,f=0.97) USER MOD Set 3.2: A 48 ASN : amide:sc= -0.199 K(o=-0.73,f=1.6) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.62) USER MOD Single : A 6 HIS : no HD1:sc= -5.01! C(o=-5!,f=-3.8!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.13!) USER MOD Single : A 14 MET CE :methyl -134:sc= -5.25! (180deg=-10.1!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 17 HIS : no HE2:sc= -7.69! C(o=-7.7!,f=-9.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -16.8! C(o=-17!,f=-22!) USER MOD Single : A 29 MET CE :methyl 149:sc=-0.00483 (180deg=-0.285) USER MOD Single : A 30 LYS NZ :NH3+ -147:sc= -0.244 (180deg=-1.45!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -148:sc= -0.174 (180deg=-0.998) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.99! C(o=-3!,f=-3.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.361 8.349 4.755 1.00 0.00 N ATOM 2 CA PRO A 1 -3.009 7.321 3.727 1.00 0.00 C ATOM 3 C PRO A 1 -3.493 5.944 4.188 1.00 0.00 C ATOM 4 O PRO A 1 -4.243 5.278 3.502 1.00 0.00 O ATOM 5 CB PRO A 1 -1.489 7.309 3.564 1.00 0.00 C ATOM 6 CG PRO A 1 -0.926 8.376 4.493 1.00 0.00 C ATOM 7 CD PRO A 1 -2.105 9.000 5.237 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.855 7.914 5.534 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.989 9.046 4.356 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.486 7.558 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -1.083 6.329 3.814 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.212 7.514 2.530 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.217 7.938 5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.386 9.134 3.925 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.993 8.860 6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -2.141 10.075 5.058 1.00 0.00 H new ATOM 17 N ILE A 2 -3.070 5.512 5.345 1.00 0.00 N ATOM 18 CA ILE A 2 -3.510 4.180 5.848 1.00 0.00 C ATOM 19 C ILE A 2 -5.003 4.228 6.177 1.00 0.00 C ATOM 20 O ILE A 2 -5.813 3.582 5.538 1.00 0.00 O ATOM 21 CB ILE A 2 -2.722 3.822 7.112 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.283 4.335 6.990 1.00 0.00 C ATOM 23 CG2 ILE A 2 -2.704 2.302 7.286 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.730 3.998 5.603 1.00 0.00 C ATOM 0 H ILE A 2 -2.440 6.023 5.963 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.329 3.426 5.082 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.198 4.286 7.976 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.256 5.413 7.151 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.659 3.882 7.761 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.144 2.045 8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.726 1.934 7.378 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.230 1.842 6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.293 4.364 5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.741 2.918 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.348 4.472 4.840 1.00 0.00 H new ATOM 36 N SER A 3 -5.374 4.993 7.167 1.00 0.00 N ATOM 37 CA SER A 3 -6.813 5.087 7.533 1.00 0.00 C ATOM 38 C SER A 3 -7.636 5.352 6.272 1.00 0.00 C ATOM 39 O SER A 3 -8.775 4.944 6.165 1.00 0.00 O ATOM 40 CB SER A 3 -7.016 6.231 8.525 1.00 0.00 C ATOM 41 OG SER A 3 -8.262 6.864 8.264 1.00 0.00 O ATOM 0 H SER A 3 -4.743 5.556 7.737 1.00 0.00 H new ATOM 0 HA SER A 3 -7.135 4.152 7.992 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.995 5.850 9.546 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.203 6.952 8.437 1.00 0.00 H new ATOM 0 HG SER A 3 -8.396 7.597 8.900 1.00 0.00 H new ATOM 47 N GLN A 4 -7.065 6.030 5.314 1.00 0.00 N ATOM 48 CA GLN A 4 -7.815 6.315 4.060 1.00 0.00 C ATOM 49 C GLN A 4 -8.125 4.996 3.354 1.00 0.00 C ATOM 50 O GLN A 4 -9.274 4.637 3.167 1.00 0.00 O ATOM 51 CB GLN A 4 -6.966 7.199 3.142 1.00 0.00 C ATOM 52 CG GLN A 4 -6.629 8.508 3.859 1.00 0.00 C ATOM 53 CD GLN A 4 -7.908 9.123 4.430 1.00 0.00 C ATOM 54 OE1 GLN A 4 -7.908 9.646 5.526 1.00 0.00 O ATOM 55 NE2 GLN A 4 -9.007 9.082 3.727 1.00 0.00 N ATOM 0 H GLN A 4 -6.114 6.398 5.346 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.744 6.833 4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.050 6.678 2.864 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.507 7.407 2.219 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -5.914 8.322 4.660 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.157 9.204 3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.007 8.643 2.806 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.865 9.489 4.098 1.00 0.00 H new ATOM 64 N VAL A 5 -7.116 4.264 2.966 1.00 0.00 N ATOM 65 CA VAL A 5 -7.374 2.968 2.285 1.00 0.00 C ATOM 66 C VAL A 5 -8.339 2.156 3.136 1.00 0.00 C ATOM 67 O VAL A 5 -9.392 1.775 2.693 1.00 0.00 O ATOM 68 CB VAL A 5 -6.071 2.182 2.125 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.308 0.928 1.284 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.000 3.050 1.462 1.00 0.00 C ATOM 0 H VAL A 5 -6.133 4.506 3.091 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.796 3.158 1.298 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.725 1.888 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.373 0.379 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.047 0.295 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.674 1.215 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.080 2.475 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.346 3.366 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.810 3.928 2.079 1.00 0.00 H new ATOM 80 N HIS A 6 -7.998 1.891 4.361 1.00 0.00 N ATOM 81 CA HIS A 6 -8.916 1.107 5.221 1.00 0.00 C ATOM 82 C HIS A 6 -10.345 1.627 5.044 1.00 0.00 C ATOM 83 O HIS A 6 -11.291 0.866 4.970 1.00 0.00 O ATOM 84 CB HIS A 6 -8.489 1.270 6.677 1.00 0.00 C ATOM 85 CG HIS A 6 -7.212 0.513 6.912 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.182 -0.868 7.032 1.00 0.00 N ATOM 87 CD2 HIS A 6 -5.911 0.930 7.046 1.00 0.00 C ATOM 88 CE1 HIS A 6 -5.902 -1.229 7.228 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.085 -0.172 7.245 1.00 0.00 N ATOM 0 H HIS A 6 -7.126 2.183 4.803 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.879 0.054 4.942 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.347 2.325 6.910 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.271 0.900 7.340 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.579 1.957 7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.574 -2.250 7.356 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.073 -0.173 7.376 1.00 0.00 H new ATOM 97 N GLU A 7 -10.504 2.922 4.971 1.00 0.00 N ATOM 98 CA GLU A 7 -11.867 3.505 4.810 1.00 0.00 C ATOM 99 C GLU A 7 -12.498 3.054 3.490 1.00 0.00 C ATOM 100 O GLU A 7 -13.537 2.435 3.475 1.00 0.00 O ATOM 101 CB GLU A 7 -11.767 5.032 4.826 1.00 0.00 C ATOM 102 CG GLU A 7 -11.982 5.544 6.251 1.00 0.00 C ATOM 103 CD GLU A 7 -13.439 5.319 6.660 1.00 0.00 C ATOM 104 OE1 GLU A 7 -14.100 4.529 6.008 1.00 0.00 O ATOM 105 OE2 GLU A 7 -13.866 5.941 7.619 1.00 0.00 O ATOM 0 H GLU A 7 -9.746 3.603 5.016 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.494 3.160 5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.790 5.347 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.512 5.463 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.316 5.025 6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.737 6.604 6.309 1.00 0.00 H new ATOM 112 N ILE A 8 -11.892 3.382 2.384 1.00 0.00 N ATOM 113 CA ILE A 8 -12.486 2.989 1.059 1.00 0.00 C ATOM 114 C ILE A 8 -12.502 1.459 0.913 1.00 0.00 C ATOM 115 O ILE A 8 -13.521 0.861 0.622 1.00 0.00 O ATOM 116 CB ILE A 8 -11.696 3.653 -0.112 1.00 0.00 C ATOM 117 CG1 ILE A 8 -11.442 2.651 -1.264 1.00 0.00 C ATOM 118 CG2 ILE A 8 -10.359 4.221 0.374 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.175 1.807 -1.011 1.00 0.00 C ATOM 0 H ILE A 8 -11.016 3.902 2.331 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.515 3.346 1.018 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.313 4.469 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.304 1.992 -1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.337 3.194 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.831 4.677 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.541 4.974 1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.752 3.417 0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.028 1.115 -1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.310 2.465 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.291 1.245 -0.085 1.00 0.00 H new ATOM 131 N GLY A 9 -11.379 0.833 1.079 1.00 0.00 N ATOM 132 CA GLY A 9 -11.293 -0.636 0.920 1.00 0.00 C ATOM 133 C GLY A 9 -12.403 -1.328 1.708 1.00 0.00 C ATOM 134 O GLY A 9 -13.130 -2.143 1.180 1.00 0.00 O ATOM 0 H GLY A 9 -10.499 1.287 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.371 -0.898 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.321 -0.988 1.265 1.00 0.00 H new ATOM 138 N ILE A 10 -12.534 -1.033 2.970 1.00 0.00 N ATOM 139 CA ILE A 10 -13.596 -1.715 3.764 1.00 0.00 C ATOM 140 C ILE A 10 -14.983 -1.275 3.270 1.00 0.00 C ATOM 141 O ILE A 10 -15.874 -2.082 3.094 1.00 0.00 O ATOM 142 CB ILE A 10 -13.408 -1.383 5.256 1.00 0.00 C ATOM 143 CG1 ILE A 10 -12.832 -2.613 5.946 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.741 -1.013 5.924 1.00 0.00 C ATOM 145 CD1 ILE A 10 -13.755 -3.802 5.676 1.00 0.00 C ATOM 0 H ILE A 10 -11.963 -0.360 3.481 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.519 -2.795 3.635 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.739 -0.527 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.829 -2.821 5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.744 -2.439 7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.570 -0.785 6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.167 -0.141 5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.434 -1.851 5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.355 -4.691 6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.749 -3.588 6.069 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.820 -3.976 4.602 1.00 0.00 H new ATOM 157 N LYS A 11 -15.173 -0.005 3.065 1.00 0.00 N ATOM 158 CA LYS A 11 -16.500 0.491 2.603 1.00 0.00 C ATOM 159 C LYS A 11 -16.797 -0.045 1.205 1.00 0.00 C ATOM 160 O LYS A 11 -17.910 0.034 0.723 1.00 0.00 O ATOM 161 CB LYS A 11 -16.472 2.016 2.555 1.00 0.00 C ATOM 162 CG LYS A 11 -17.535 2.580 3.499 1.00 0.00 C ATOM 163 CD LYS A 11 -16.857 3.395 4.601 1.00 0.00 C ATOM 164 CE LYS A 11 -16.853 2.591 5.903 1.00 0.00 C ATOM 165 NZ LYS A 11 -17.606 3.337 6.950 1.00 0.00 N ATOM 0 H LYS A 11 -14.464 0.716 3.198 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.273 0.150 3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.486 2.381 2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.655 2.361 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.233 3.208 2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.115 1.768 3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.836 3.641 4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.383 4.339 4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.307 1.613 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.829 2.416 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.603 2.791 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.154 4.260 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.587 3.482 6.635 1.00 0.00 H new ATOM 179 N ARG A 12 -15.812 -0.580 0.547 1.00 0.00 N ATOM 180 CA ARG A 12 -16.045 -1.109 -0.829 1.00 0.00 C ATOM 181 C ARG A 12 -15.765 -2.611 -0.863 1.00 0.00 C ATOM 182 O ARG A 12 -15.720 -3.219 -1.913 1.00 0.00 O ATOM 183 CB ARG A 12 -15.115 -0.395 -1.812 1.00 0.00 C ATOM 184 CG ARG A 12 -15.589 1.047 -2.007 1.00 0.00 C ATOM 185 CD ARG A 12 -15.278 1.499 -3.436 1.00 0.00 C ATOM 186 NE ARG A 12 -16.166 2.639 -3.808 1.00 0.00 N ATOM 187 CZ ARG A 12 -17.403 2.670 -3.391 1.00 0.00 C ATOM 188 NH1 ARG A 12 -18.266 1.803 -3.846 1.00 0.00 N ATOM 189 NH2 ARG A 12 -17.776 3.568 -2.521 1.00 0.00 N ATOM 0 H ARG A 12 -14.859 -0.676 0.897 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.083 -0.932 -1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.092 -0.405 -1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.107 -0.919 -2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -16.660 1.118 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.094 1.703 -1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.233 1.799 -3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.424 0.671 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 12 -15.806 3.396 -4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.974 1.102 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -19.232 1.827 -3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.101 4.246 -2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -18.742 3.592 -2.195 1.00 0.00 H new ATOM 203 N ASN A 13 -15.569 -3.210 0.281 1.00 0.00 N ATOM 204 CA ASN A 13 -15.285 -4.673 0.329 1.00 0.00 C ATOM 205 C ASN A 13 -13.809 -4.922 0.007 1.00 0.00 C ATOM 206 O ASN A 13 -13.298 -6.006 0.206 1.00 0.00 O ATOM 207 CB ASN A 13 -16.161 -5.409 -0.688 1.00 0.00 C ATOM 208 CG ASN A 13 -16.326 -6.867 -0.257 1.00 0.00 C ATOM 209 OD1 ASN A 13 -15.479 -7.411 0.424 1.00 0.00 O ATOM 210 ND2 ASN A 13 -17.388 -7.529 -0.627 1.00 0.00 N ATOM 0 H ASN A 13 -15.594 -2.746 1.189 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.507 -5.045 1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.136 -4.927 -0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.707 -5.360 -1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.507 -8.502 -0.345 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.100 -7.073 -1.199 1.00 0.00 H new ATOM 217 N MET A 14 -13.113 -3.929 -0.483 1.00 0.00 N ATOM 218 CA MET A 14 -11.677 -4.119 -0.804 1.00 0.00 C ATOM 219 C MET A 14 -10.876 -4.100 0.502 1.00 0.00 C ATOM 220 O MET A 14 -10.577 -3.056 1.039 1.00 0.00 O ATOM 221 CB MET A 14 -11.219 -2.977 -1.714 1.00 0.00 C ATOM 222 CG MET A 14 -11.512 -3.335 -3.173 1.00 0.00 C ATOM 223 SD MET A 14 -10.912 -2.009 -4.249 1.00 0.00 S ATOM 224 CE MET A 14 -10.076 -3.057 -5.465 1.00 0.00 C ATOM 0 H MET A 14 -13.481 -2.997 -0.673 1.00 0.00 H new ATOM 0 HA MET A 14 -11.521 -5.070 -1.313 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.734 -2.055 -1.445 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.152 -2.797 -1.580 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.027 -4.276 -3.432 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.583 -3.478 -3.316 1.00 0.00 H new ATOM 0 HE1 MET A 14 -9.089 -2.648 -5.680 1.00 0.00 H new ATOM 0 HE2 MET A 14 -9.972 -4.066 -5.066 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.663 -3.089 -6.383 1.00 0.00 H new ATOM 234 N THR A 15 -10.532 -5.242 1.029 1.00 0.00 N ATOM 235 CA THR A 15 -9.767 -5.262 2.302 1.00 0.00 C ATOM 236 C THR A 15 -8.615 -4.260 2.231 1.00 0.00 C ATOM 237 O THR A 15 -8.339 -3.683 1.202 1.00 0.00 O ATOM 238 CB THR A 15 -9.221 -6.669 2.563 1.00 0.00 C ATOM 239 OG1 THR A 15 -9.771 -7.576 1.615 1.00 0.00 O ATOM 240 CG2 THR A 15 -9.632 -7.092 3.972 1.00 0.00 C ATOM 0 H THR A 15 -10.747 -6.157 0.634 1.00 0.00 H new ATOM 0 HA THR A 15 -10.431 -4.983 3.120 1.00 0.00 H new ATOM 0 HB THR A 15 -8.135 -6.673 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.420 -8.476 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.252 -8.093 4.177 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.219 -6.391 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.719 -7.094 4.049 1.00 0.00 H new ATOM 248 N VAL A 16 -7.947 -4.043 3.324 1.00 0.00 N ATOM 249 CA VAL A 16 -6.816 -3.079 3.329 1.00 0.00 C ATOM 250 C VAL A 16 -5.730 -3.612 4.254 1.00 0.00 C ATOM 251 O VAL A 16 -5.651 -3.244 5.410 1.00 0.00 O ATOM 252 CB VAL A 16 -7.304 -1.720 3.834 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.144 -0.723 3.834 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.417 -1.210 2.916 1.00 0.00 C ATOM 0 H VAL A 16 -8.136 -4.494 4.219 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.420 -2.960 2.321 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.686 -1.826 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.495 0.244 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.351 -1.087 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.758 -0.614 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.768 -0.241 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.033 -1.106 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.245 -1.919 2.919 1.00 0.00 H new ATOM 264 N HIS A 17 -4.897 -4.489 3.767 1.00 0.00 N ATOM 265 CA HIS A 17 -3.829 -5.044 4.654 1.00 0.00 C ATOM 266 C HIS A 17 -2.443 -4.661 4.125 1.00 0.00 C ATOM 267 O HIS A 17 -1.903 -5.290 3.240 1.00 0.00 O ATOM 268 CB HIS A 17 -3.957 -6.570 4.743 1.00 0.00 C ATOM 269 CG HIS A 17 -5.342 -6.931 5.220 1.00 0.00 C ATOM 270 ND1 HIS A 17 -5.797 -6.575 6.480 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.383 -7.616 4.629 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.053 -7.040 6.606 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.458 -7.682 5.509 1.00 0.00 N ATOM 0 H HIS A 17 -4.905 -4.843 2.810 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.950 -4.621 5.651 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.768 -7.019 3.768 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.209 -6.969 5.428 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.274 -6.055 7.184 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.366 -8.037 3.635 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.661 -6.909 7.489 1.00 0.00 H new ATOM 281 N PHE A 18 -1.873 -3.621 4.670 1.00 0.00 N ATOM 282 CA PHE A 18 -0.532 -3.158 4.221 1.00 0.00 C ATOM 283 C PHE A 18 0.574 -4.036 4.809 1.00 0.00 C ATOM 284 O PHE A 18 0.625 -4.284 5.997 1.00 0.00 O ATOM 285 CB PHE A 18 -0.327 -1.727 4.713 1.00 0.00 C ATOM 286 CG PHE A 18 -1.116 -0.791 3.844 1.00 0.00 C ATOM 287 CD1 PHE A 18 -2.465 -0.536 4.120 1.00 0.00 C ATOM 288 CD2 PHE A 18 -0.497 -0.181 2.757 1.00 0.00 C ATOM 289 CE1 PHE A 18 -3.190 0.332 3.301 1.00 0.00 C ATOM 290 CE2 PHE A 18 -1.223 0.682 1.940 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.571 0.939 2.209 1.00 0.00 C ATOM 0 H PHE A 18 -2.287 -3.065 5.418 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.485 -3.214 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.648 -1.637 5.751 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.731 -1.467 4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.944 -1.010 4.964 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.544 -0.377 2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.230 0.533 3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.743 1.154 1.096 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.132 1.607 1.572 1.00 0.00 H new ATOM 301 N LYS A 19 1.473 -4.490 3.977 1.00 0.00 N ATOM 302 CA LYS A 19 2.596 -5.331 4.462 1.00 0.00 C ATOM 303 C LYS A 19 3.794 -5.114 3.538 1.00 0.00 C ATOM 304 O LYS A 19 3.748 -5.446 2.374 1.00 0.00 O ATOM 305 CB LYS A 19 2.186 -6.805 4.433 1.00 0.00 C ATOM 306 CG LYS A 19 3.174 -7.628 5.263 1.00 0.00 C ATOM 307 CD LYS A 19 3.920 -8.603 4.349 1.00 0.00 C ATOM 308 CE LYS A 19 4.472 -9.763 5.181 1.00 0.00 C ATOM 309 NZ LYS A 19 4.026 -11.055 4.588 1.00 0.00 N ATOM 0 H LYS A 19 1.474 -4.310 2.973 1.00 0.00 H new ATOM 0 HA LYS A 19 2.855 -5.057 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.177 -6.920 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.168 -7.168 3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.882 -6.968 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.643 -8.176 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.249 -8.982 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.734 -8.089 3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.561 -9.719 5.208 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.124 -9.684 6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.401 -11.844 5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.987 -11.095 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.379 -11.129 3.613 1.00 0.00 H new ATOM 323 N VAL A 20 4.865 -4.557 4.036 1.00 0.00 N ATOM 324 CA VAL A 20 6.046 -4.332 3.156 1.00 0.00 C ATOM 325 C VAL A 20 6.786 -5.653 2.995 1.00 0.00 C ATOM 326 O VAL A 20 7.227 -6.258 3.950 1.00 0.00 O ATOM 327 CB VAL A 20 6.955 -3.270 3.776 1.00 0.00 C ATOM 328 CG1 VAL A 20 8.233 -3.141 2.944 1.00 0.00 C ATOM 329 CG2 VAL A 20 6.217 -1.927 3.789 1.00 0.00 C ATOM 0 H VAL A 20 4.973 -4.251 5.003 1.00 0.00 H new ATOM 0 HA VAL A 20 5.729 -3.975 2.176 1.00 0.00 H new ATOM 0 HB VAL A 20 7.216 -3.558 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.880 -2.384 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.754 -4.098 2.926 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.976 -2.849 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.858 -1.164 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.962 -1.642 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.305 -2.019 4.378 1.00 0.00 H new ATOM 339 N LEU A 21 6.881 -6.124 1.783 1.00 0.00 N ATOM 340 CA LEU A 21 7.540 -7.432 1.541 1.00 0.00 C ATOM 341 C LEU A 21 8.829 -7.260 0.737 1.00 0.00 C ATOM 342 O LEU A 21 9.611 -8.181 0.612 1.00 0.00 O ATOM 343 CB LEU A 21 6.577 -8.315 0.756 1.00 0.00 C ATOM 344 CG LEU A 21 5.822 -7.467 -0.258 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.497 -8.305 -1.496 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.535 -7.003 0.400 1.00 0.00 C ATOM 0 H LEU A 21 6.528 -5.656 0.948 1.00 0.00 H new ATOM 0 HA LEU A 21 7.794 -7.884 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.126 -9.107 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.875 -8.799 1.435 1.00 0.00 H new ATOM 0 HG LEU A 21 6.425 -6.613 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.957 -7.693 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.423 -8.664 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.880 -9.156 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.968 -6.391 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.940 -7.870 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.771 -6.414 1.287 1.00 0.00 H new ATOM 358 N ARG A 22 9.061 -6.107 0.177 1.00 0.00 N ATOM 359 CA ARG A 22 10.307 -5.934 -0.622 1.00 0.00 C ATOM 360 C ARG A 22 11.100 -4.724 -0.128 1.00 0.00 C ATOM 361 O ARG A 22 10.557 -3.670 0.127 1.00 0.00 O ATOM 362 CB ARG A 22 9.953 -5.741 -2.096 1.00 0.00 C ATOM 363 CG ARG A 22 10.502 -6.913 -2.913 1.00 0.00 C ATOM 364 CD ARG A 22 12.024 -6.800 -3.007 1.00 0.00 C ATOM 365 NE ARG A 22 12.598 -8.106 -3.444 1.00 0.00 N ATOM 366 CZ ARG A 22 12.077 -9.225 -3.021 1.00 0.00 C ATOM 367 NH1 ARG A 22 12.294 -9.625 -1.798 1.00 0.00 N ATOM 368 NH2 ARG A 22 11.339 -9.945 -3.821 1.00 0.00 N ATOM 0 H ARG A 22 8.454 -5.289 0.235 1.00 0.00 H new ATOM 0 HA ARG A 22 10.919 -6.828 -0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.871 -5.676 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.371 -4.803 -2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.225 -7.858 -2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.064 -6.911 -3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.297 -6.017 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.438 -6.515 -2.040 1.00 0.00 H new ATOM 0 HE ARG A 22 13.399 -8.124 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.871 -9.063 -1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.887 -10.500 -1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.169 -9.633 -4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.932 -10.820 -3.490 1.00 0.00 H new ATOM 382 N GLU A 23 12.389 -4.879 -0.004 1.00 0.00 N ATOM 383 CA GLU A 23 13.247 -3.754 0.462 1.00 0.00 C ATOM 384 C GLU A 23 14.684 -4.019 0.007 1.00 0.00 C ATOM 385 O GLU A 23 15.244 -5.059 0.294 1.00 0.00 O ATOM 386 CB GLU A 23 13.205 -3.666 1.991 1.00 0.00 C ATOM 387 CG GLU A 23 11.809 -4.043 2.495 1.00 0.00 C ATOM 388 CD GLU A 23 11.796 -4.031 4.024 1.00 0.00 C ATOM 389 OE1 GLU A 23 12.816 -4.355 4.608 1.00 0.00 O ATOM 390 OE2 GLU A 23 10.765 -3.697 4.585 1.00 0.00 O ATOM 0 H GLU A 23 12.889 -5.745 -0.207 1.00 0.00 H new ATOM 0 HA GLU A 23 12.885 -2.815 0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.950 -4.334 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.457 -2.656 2.313 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.070 -3.341 2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.533 -5.031 2.127 1.00 0.00 H new ATOM 397 N GLU A 24 15.279 -3.098 -0.706 1.00 0.00 N ATOM 398 CA GLU A 24 16.680 -3.307 -1.186 1.00 0.00 C ATOM 399 C GLU A 24 17.509 -3.996 -0.095 1.00 0.00 C ATOM 400 O GLU A 24 17.416 -3.660 1.069 1.00 0.00 O ATOM 401 CB GLU A 24 17.308 -1.954 -1.523 1.00 0.00 C ATOM 402 CG GLU A 24 16.962 -1.575 -2.964 1.00 0.00 C ATOM 403 CD GLU A 24 18.074 -2.051 -3.900 1.00 0.00 C ATOM 404 OE1 GLU A 24 18.809 -2.943 -3.509 1.00 0.00 O ATOM 405 OE2 GLU A 24 18.173 -1.517 -4.992 1.00 0.00 O ATOM 0 H GLU A 24 14.856 -2.210 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 24 16.664 -3.937 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.942 -1.190 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.390 -2.002 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.012 -2.026 -3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.840 -0.495 -3.047 1.00 0.00 H new ATOM 412 N GLY A 25 18.314 -4.959 -0.464 1.00 0.00 N ATOM 413 CA GLY A 25 19.147 -5.673 0.551 1.00 0.00 C ATOM 414 C GLY A 25 19.726 -4.661 1.533 1.00 0.00 C ATOM 415 O GLY A 25 19.103 -4.345 2.528 1.00 0.00 O ATOM 0 H GLY A 25 18.431 -5.282 -1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.542 -6.407 1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.951 -6.219 0.058 1.00 0.00 H new ATOM 419 N PRO A 26 20.894 -4.166 1.224 1.00 0.00 N ATOM 420 CA PRO A 26 21.551 -3.171 2.074 1.00 0.00 C ATOM 421 C PRO A 26 20.737 -1.876 1.969 1.00 0.00 C ATOM 422 O PRO A 26 19.533 -1.932 1.926 1.00 0.00 O ATOM 423 CB PRO A 26 22.954 -3.020 1.473 1.00 0.00 C ATOM 424 CG PRO A 26 22.923 -3.685 0.083 1.00 0.00 C ATOM 425 CD PRO A 26 21.647 -4.545 0.015 1.00 0.00 C ATOM 0 HA PRO A 26 21.617 -3.438 3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 26 23.227 -1.968 1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 26 23.700 -3.494 2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 26 22.920 -2.931 -0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 26 23.810 -4.300 -0.068 1.00 0.00 H new ATOM 0 HD2 PRO A 26 21.076 -4.340 -0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 26 21.883 -5.609 0.010 1.00 0.00 H new ATOM 433 N ALA A 27 21.366 -0.730 1.886 1.00 0.00 N ATOM 434 CA ALA A 27 20.593 0.550 1.740 1.00 0.00 C ATOM 435 C ALA A 27 19.605 0.744 2.896 1.00 0.00 C ATOM 436 O ALA A 27 19.838 1.533 3.789 1.00 0.00 O ATOM 437 CB ALA A 27 19.824 0.500 0.433 1.00 0.00 C ATOM 0 H ALA A 27 22.380 -0.622 1.913 1.00 0.00 H new ATOM 0 HA ALA A 27 21.294 1.385 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 27 19.256 1.422 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 27 20.523 0.390 -0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 27 19.140 -0.349 0.446 1.00 0.00 H new ATOM 443 N HIS A 28 18.491 0.053 2.874 1.00 0.00 N ATOM 444 CA HIS A 28 17.480 0.199 3.966 1.00 0.00 C ATOM 445 C HIS A 28 17.063 1.664 4.057 1.00 0.00 C ATOM 446 O HIS A 28 16.553 2.122 5.060 1.00 0.00 O ATOM 447 CB HIS A 28 18.063 -0.279 5.316 1.00 0.00 C ATOM 448 CG HIS A 28 19.437 -0.865 5.109 1.00 0.00 C ATOM 449 ND1 HIS A 28 20.582 -0.103 5.269 1.00 0.00 N ATOM 450 CD2 HIS A 28 19.867 -2.097 4.675 1.00 0.00 C ATOM 451 CE1 HIS A 28 21.629 -0.864 4.921 1.00 0.00 C ATOM 452 NE2 HIS A 28 21.251 -2.088 4.563 1.00 0.00 N ATOM 0 H HIS A 28 18.238 -0.610 2.141 1.00 0.00 H new ATOM 0 HA HIS A 28 16.610 -0.418 3.740 1.00 0.00 H new ATOM 0 HB2 HIS A 28 18.117 0.557 6.014 1.00 0.00 H new ATOM 0 HB3 HIS A 28 17.405 -1.025 5.762 1.00 0.00 H new ATOM 0 HD1 HIS A 28 20.622 0.863 5.593 1.00 0.00 H new ATOM 0 HD2 HIS A 28 19.228 -2.940 4.456 1.00 0.00 H new ATOM 0 HE1 HIS A 28 22.654 -0.525 4.930 1.00 0.00 H new ATOM 460 N MET A 29 17.272 2.398 2.999 1.00 0.00 N ATOM 461 CA MET A 29 16.888 3.836 2.986 1.00 0.00 C ATOM 462 C MET A 29 16.619 4.266 1.541 1.00 0.00 C ATOM 463 O MET A 29 16.627 5.436 1.218 1.00 0.00 O ATOM 464 CB MET A 29 18.029 4.676 3.566 1.00 0.00 C ATOM 465 CG MET A 29 17.684 5.083 5.000 1.00 0.00 C ATOM 466 SD MET A 29 17.091 6.793 5.015 1.00 0.00 S ATOM 467 CE MET A 29 15.915 6.612 6.378 1.00 0.00 C ATOM 0 H MET A 29 17.696 2.059 2.136 1.00 0.00 H new ATOM 0 HA MET A 29 15.992 3.984 3.588 1.00 0.00 H new ATOM 0 HB2 MET A 29 18.958 4.106 3.552 1.00 0.00 H new ATOM 0 HB3 MET A 29 18.190 5.563 2.953 1.00 0.00 H new ATOM 0 HG2 MET A 29 16.921 4.418 5.404 1.00 0.00 H new ATOM 0 HG3 MET A 29 18.562 4.986 5.638 1.00 0.00 H new ATOM 0 HE1 MET A 29 15.840 7.554 6.921 1.00 0.00 H new ATOM 0 HE2 MET A 29 14.936 6.343 5.981 1.00 0.00 H new ATOM 0 HE3 MET A 29 16.260 5.830 7.054 1.00 0.00 H new ATOM 477 N LYS A 30 16.387 3.321 0.666 1.00 0.00 N ATOM 478 CA LYS A 30 16.125 3.662 -0.757 1.00 0.00 C ATOM 479 C LYS A 30 14.624 3.581 -1.042 1.00 0.00 C ATOM 480 O LYS A 30 13.916 4.564 -0.974 1.00 0.00 O ATOM 481 CB LYS A 30 16.865 2.670 -1.652 1.00 0.00 C ATOM 482 CG LYS A 30 18.303 3.144 -1.859 1.00 0.00 C ATOM 483 CD LYS A 30 18.566 3.347 -3.353 1.00 0.00 C ATOM 484 CE LYS A 30 19.188 2.079 -3.939 1.00 0.00 C ATOM 485 NZ LYS A 30 20.476 1.792 -3.244 1.00 0.00 N ATOM 0 H LYS A 30 16.369 2.324 0.881 1.00 0.00 H new ATOM 0 HA LYS A 30 16.473 4.675 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.859 1.679 -1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.358 2.583 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.471 4.076 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 30 19.000 2.411 -1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.634 3.579 -3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 30 19.234 4.195 -3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 30 18.504 1.238 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.359 2.205 -5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.141 1.353 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.882 2.680 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.305 1.143 -2.449 1.00 0.00 H new ATOM 499 N ASN A 31 14.133 2.417 -1.367 1.00 0.00 N ATOM 500 CA ASN A 31 12.677 2.281 -1.662 1.00 0.00 C ATOM 501 C ASN A 31 12.102 1.080 -0.915 1.00 0.00 C ATOM 502 O ASN A 31 12.818 0.292 -0.329 1.00 0.00 O ATOM 503 CB ASN A 31 12.471 2.069 -3.160 1.00 0.00 C ATOM 504 CG ASN A 31 13.199 3.166 -3.940 1.00 0.00 C ATOM 505 OD1 ASN A 31 12.629 4.199 -4.233 1.00 0.00 O ATOM 506 ND2 ASN A 31 14.442 2.985 -4.292 1.00 0.00 N ATOM 0 H ASN A 31 14.674 1.556 -1.441 1.00 0.00 H new ATOM 0 HA ASN A 31 12.170 3.191 -1.341 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.848 1.089 -3.454 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.407 2.086 -3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.935 3.710 -4.813 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.921 2.118 -4.046 1.00 0.00 H new ATOM 513 N PHE A 32 10.808 0.934 -0.946 1.00 0.00 N ATOM 514 CA PHE A 32 10.165 -0.216 -0.253 1.00 0.00 C ATOM 515 C PHE A 32 8.878 -0.588 -0.991 1.00 0.00 C ATOM 516 O PHE A 32 8.023 0.247 -1.210 1.00 0.00 O ATOM 517 CB PHE A 32 9.827 0.183 1.185 1.00 0.00 C ATOM 518 CG PHE A 32 11.083 0.171 2.022 1.00 0.00 C ATOM 519 CD1 PHE A 32 11.995 1.231 1.935 1.00 0.00 C ATOM 520 CD2 PHE A 32 11.333 -0.900 2.888 1.00 0.00 C ATOM 521 CE1 PHE A 32 13.158 1.218 2.714 1.00 0.00 C ATOM 522 CE2 PHE A 32 12.496 -0.913 3.666 1.00 0.00 C ATOM 523 CZ PHE A 32 13.408 0.145 3.580 1.00 0.00 C ATOM 0 H PHE A 32 10.165 1.565 -1.424 1.00 0.00 H new ATOM 0 HA PHE A 32 10.845 -1.068 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.376 1.175 1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.093 -0.507 1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.801 2.057 1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.629 -1.716 2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.862 2.034 2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.690 -1.740 4.333 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.305 0.135 4.181 1.00 0.00 H new ATOM 533 N ILE A 33 8.714 -1.831 -1.361 1.00 0.00 N ATOM 534 CA ILE A 33 7.463 -2.222 -2.062 1.00 0.00 C ATOM 535 C ILE A 33 6.448 -2.632 -1.006 1.00 0.00 C ATOM 536 O ILE A 33 6.454 -3.744 -0.516 1.00 0.00 O ATOM 537 CB ILE A 33 7.716 -3.396 -3.009 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.116 -3.283 -3.625 1.00 0.00 C ATOM 539 CG2 ILE A 33 6.667 -3.383 -4.123 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.140 -2.149 -4.648 1.00 0.00 C ATOM 0 H ILE A 33 9.386 -2.583 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 33 7.095 -1.384 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 33 7.648 -4.329 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.853 -3.096 -2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.390 -4.223 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.845 -4.219 -4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.672 -3.474 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.736 -2.447 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.137 -2.072 -5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.415 -2.354 -5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.886 -1.210 -4.156 1.00 0.00 H new ATOM 552 N THR A 34 5.589 -1.733 -0.638 1.00 0.00 N ATOM 553 CA THR A 34 4.582 -2.055 0.405 1.00 0.00 C ATOM 554 C THR A 34 3.338 -2.648 -0.255 1.00 0.00 C ATOM 555 O THR A 34 2.650 -1.995 -1.014 1.00 0.00 O ATOM 556 CB THR A 34 4.222 -0.777 1.162 1.00 0.00 C ATOM 557 OG1 THR A 34 5.327 -0.376 1.959 1.00 0.00 O ATOM 558 CG2 THR A 34 3.009 -1.035 2.057 1.00 0.00 C ATOM 0 H THR A 34 5.539 -0.786 -1.014 1.00 0.00 H new ATOM 0 HA THR A 34 4.989 -2.784 1.106 1.00 0.00 H new ATOM 0 HB THR A 34 3.981 0.013 0.450 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.160 -0.675 1.538 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.754 -0.123 2.596 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.163 -1.342 1.443 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.245 -1.824 2.771 1.00 0.00 H new ATOM 566 N ALA A 35 3.064 -3.897 0.013 1.00 0.00 N ATOM 567 CA ALA A 35 1.884 -4.557 -0.612 1.00 0.00 C ATOM 568 C ALA A 35 0.623 -4.340 0.227 1.00 0.00 C ATOM 569 O ALA A 35 0.508 -4.842 1.323 1.00 0.00 O ATOM 570 CB ALA A 35 2.162 -6.048 -0.707 1.00 0.00 C ATOM 0 H ALA A 35 3.609 -4.489 0.640 1.00 0.00 H new ATOM 0 HA ALA A 35 1.719 -4.125 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.308 -6.549 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.049 -6.215 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.329 -6.451 0.292 1.00 0.00 H new ATOM 576 N CYS A 36 -0.350 -3.641 -0.297 1.00 0.00 N ATOM 577 CA CYS A 36 -1.613 -3.455 0.476 1.00 0.00 C ATOM 578 C CYS A 36 -2.665 -4.351 -0.163 1.00 0.00 C ATOM 579 O CYS A 36 -3.032 -4.158 -1.298 1.00 0.00 O ATOM 580 CB CYS A 36 -2.076 -1.997 0.427 1.00 0.00 C ATOM 581 SG CYS A 36 -3.757 -1.876 1.088 1.00 0.00 S ATOM 0 H CYS A 36 -0.326 -3.196 -1.215 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.454 -3.714 1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.399 -1.370 1.007 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.050 -1.630 -0.599 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.831 -0.867 1.904 1.00 0.00 H new ATOM 587 N ILE A 37 -3.139 -5.345 0.529 1.00 0.00 N ATOM 588 CA ILE A 37 -4.137 -6.242 -0.105 1.00 0.00 C ATOM 589 C ILE A 37 -5.499 -5.573 -0.117 1.00 0.00 C ATOM 590 O ILE A 37 -5.971 -5.066 0.895 1.00 0.00 O ATOM 591 CB ILE A 37 -4.225 -7.567 0.654 1.00 0.00 C ATOM 592 CG1 ILE A 37 -4.885 -8.617 -0.236 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.068 -7.391 1.910 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.333 -8.218 -0.517 1.00 0.00 C ATOM 0 H ILE A 37 -2.884 -5.573 1.490 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.821 -6.442 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.220 -7.885 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.335 -8.711 -1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.854 -9.592 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.126 -8.339 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.611 -6.639 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.072 -7.069 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.801 -8.970 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.880 -8.147 0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.353 -7.252 -1.022 1.00 0.00 H new ATOM 606 N VAL A 38 -6.116 -5.580 -1.269 1.00 0.00 N ATOM 607 CA VAL A 38 -7.449 -4.973 -1.434 1.00 0.00 C ATOM 608 C VAL A 38 -8.345 -5.965 -2.193 1.00 0.00 C ATOM 609 O VAL A 38 -7.942 -6.569 -3.170 1.00 0.00 O ATOM 610 CB VAL A 38 -7.277 -3.658 -2.215 1.00 0.00 C ATOM 611 CG1 VAL A 38 -8.276 -3.568 -3.370 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.482 -2.480 -1.263 1.00 0.00 C ATOM 0 H VAL A 38 -5.733 -5.995 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.917 -4.754 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.271 -3.630 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.131 -2.629 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.118 -4.402 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.292 -3.609 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.361 -1.545 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.485 -2.525 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.746 -2.528 -0.461 1.00 0.00 H new ATOM 622 N GLY A 39 -9.555 -6.131 -1.745 1.00 0.00 N ATOM 623 CA GLY A 39 -10.489 -7.071 -2.427 1.00 0.00 C ATOM 624 C GLY A 39 -9.895 -8.480 -2.429 1.00 0.00 C ATOM 625 O GLY A 39 -9.700 -9.085 -1.394 1.00 0.00 O ATOM 0 H GLY A 39 -9.942 -5.654 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.453 -7.073 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.669 -6.741 -3.450 1.00 0.00 H new ATOM 629 N SER A 40 -9.609 -9.007 -3.587 1.00 0.00 N ATOM 630 CA SER A 40 -9.030 -10.377 -3.660 1.00 0.00 C ATOM 631 C SER A 40 -7.669 -10.316 -4.352 1.00 0.00 C ATOM 632 O SER A 40 -7.106 -11.327 -4.725 1.00 0.00 O ATOM 633 CB SER A 40 -9.967 -11.286 -4.457 1.00 0.00 C ATOM 634 OG SER A 40 -11.145 -10.566 -4.793 1.00 0.00 O ATOM 0 H SER A 40 -9.751 -8.548 -4.486 1.00 0.00 H new ATOM 0 HA SER A 40 -8.909 -10.775 -2.653 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.470 -11.636 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.221 -12.169 -3.871 1.00 0.00 H new ATOM 0 HG SER A 40 -11.747 -11.145 -5.305 1.00 0.00 H new ATOM 640 N ILE A 41 -7.135 -9.140 -4.525 1.00 0.00 N ATOM 641 CA ILE A 41 -5.809 -9.018 -5.192 1.00 0.00 C ATOM 642 C ILE A 41 -4.943 -8.039 -4.401 1.00 0.00 C ATOM 643 O ILE A 41 -5.445 -7.142 -3.750 1.00 0.00 O ATOM 644 CB ILE A 41 -6.003 -8.502 -6.619 1.00 0.00 C ATOM 645 CG1 ILE A 41 -7.152 -9.264 -7.281 1.00 0.00 C ATOM 646 CG2 ILE A 41 -4.720 -8.723 -7.421 1.00 0.00 C ATOM 647 CD1 ILE A 41 -8.374 -8.350 -7.397 1.00 0.00 C ATOM 0 H ILE A 41 -7.558 -8.259 -4.234 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.320 -9.991 -5.228 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.236 -7.438 -6.592 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.850 -9.611 -8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.401 -10.148 -6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.859 -8.355 -8.438 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.898 -8.184 -6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.487 -9.787 -7.449 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.192 -8.894 -7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.681 -8.024 -6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.121 -7.479 -8.002 1.00 0.00 H new ATOM 659 N VAL A 42 -3.649 -8.202 -4.435 1.00 0.00 N ATOM 660 CA VAL A 42 -2.779 -7.272 -3.665 1.00 0.00 C ATOM 661 C VAL A 42 -2.272 -6.155 -4.562 1.00 0.00 C ATOM 662 O VAL A 42 -1.809 -6.373 -5.663 1.00 0.00 O ATOM 663 CB VAL A 42 -1.561 -7.996 -3.091 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.310 -7.513 -1.664 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.793 -9.510 -3.091 1.00 0.00 C ATOM 0 H VAL A 42 -3.162 -8.931 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.384 -6.869 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.692 -7.776 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.442 -8.028 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.125 -6.439 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.184 -7.727 -1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.917 -10.012 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.666 -9.744 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.961 -9.852 -4.112 1.00 0.00 H new ATOM 675 N THR A 43 -2.322 -4.966 -4.063 1.00 0.00 N ATOM 676 CA THR A 43 -1.809 -3.800 -4.827 1.00 0.00 C ATOM 677 C THR A 43 -0.723 -3.136 -3.977 1.00 0.00 C ATOM 678 O THR A 43 -0.999 -2.449 -3.010 1.00 0.00 O ATOM 679 CB THR A 43 -2.945 -2.813 -5.112 1.00 0.00 C ATOM 680 OG1 THR A 43 -3.761 -3.323 -6.157 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.365 -1.459 -5.529 1.00 0.00 C ATOM 0 H THR A 43 -2.702 -4.742 -3.143 1.00 0.00 H new ATOM 0 HA THR A 43 -1.399 -4.118 -5.786 1.00 0.00 H new ATOM 0 HB THR A 43 -3.544 -2.683 -4.211 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.490 -2.694 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.178 -0.761 -5.730 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.741 -1.067 -4.725 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.762 -1.583 -6.429 1.00 0.00 H new ATOM 689 N GLU A 44 0.513 -3.379 -4.302 1.00 0.00 N ATOM 690 CA GLU A 44 1.623 -2.799 -3.497 1.00 0.00 C ATOM 691 C GLU A 44 2.000 -1.415 -4.018 1.00 0.00 C ATOM 692 O GLU A 44 1.361 -0.864 -4.892 1.00 0.00 O ATOM 693 CB GLU A 44 2.846 -3.718 -3.574 1.00 0.00 C ATOM 694 CG GLU A 44 2.392 -5.170 -3.734 1.00 0.00 C ATOM 695 CD GLU A 44 3.582 -6.106 -3.518 1.00 0.00 C ATOM 696 OE1 GLU A 44 4.629 -5.620 -3.123 1.00 0.00 O ATOM 697 OE2 GLU A 44 3.428 -7.293 -3.751 1.00 0.00 O ATOM 0 H GLU A 44 0.805 -3.955 -5.092 1.00 0.00 H new ATOM 0 HA GLU A 44 1.290 -2.707 -2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.477 -3.430 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.449 -3.613 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.603 -5.396 -3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.972 -5.323 -4.728 1.00 0.00 H new ATOM 704 N GLY A 45 3.042 -0.856 -3.472 1.00 0.00 N ATOM 705 CA GLY A 45 3.491 0.497 -3.911 1.00 0.00 C ATOM 706 C GLY A 45 4.940 0.700 -3.473 1.00 0.00 C ATOM 707 O GLY A 45 5.245 0.710 -2.299 1.00 0.00 O ATOM 0 H GLY A 45 3.607 -1.279 -2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.407 0.590 -4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.854 1.266 -3.475 1.00 0.00 H new ATOM 711 N GLU A 46 5.838 0.843 -4.404 1.00 0.00 N ATOM 712 CA GLU A 46 7.264 1.016 -4.037 1.00 0.00 C ATOM 713 C GLU A 46 7.537 2.456 -3.597 1.00 0.00 C ATOM 714 O GLU A 46 7.893 3.304 -4.392 1.00 0.00 O ATOM 715 CB GLU A 46 8.121 0.677 -5.249 1.00 0.00 C ATOM 716 CG GLU A 46 7.734 1.580 -6.421 1.00 0.00 C ATOM 717 CD GLU A 46 7.703 0.758 -7.711 1.00 0.00 C ATOM 718 OE1 GLU A 46 8.766 0.507 -8.255 1.00 0.00 O ATOM 719 OE2 GLU A 46 6.618 0.393 -8.133 1.00 0.00 O ATOM 0 H GLU A 46 5.643 0.847 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 46 7.507 0.354 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.176 0.808 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.984 -0.369 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.758 2.030 -6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.449 2.397 -6.515 1.00 0.00 H new ATOM 726 N GLY A 47 7.384 2.731 -2.332 1.00 0.00 N ATOM 727 CA GLY A 47 7.647 4.109 -1.826 1.00 0.00 C ATOM 728 C GLY A 47 9.156 4.372 -1.850 1.00 0.00 C ATOM 729 O GLY A 47 9.940 3.500 -2.175 1.00 0.00 O ATOM 0 H GLY A 47 7.087 2.060 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.128 4.842 -2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.263 4.217 -0.812 1.00 0.00 H new ATOM 733 N ASN A 48 9.572 5.564 -1.513 1.00 0.00 N ATOM 734 CA ASN A 48 11.031 5.873 -1.528 1.00 0.00 C ATOM 735 C ASN A 48 11.475 6.405 -0.162 1.00 0.00 C ATOM 736 O ASN A 48 11.257 7.552 0.170 1.00 0.00 O ATOM 737 CB ASN A 48 11.315 6.930 -2.597 1.00 0.00 C ATOM 738 CG ASN A 48 10.387 6.710 -3.794 1.00 0.00 C ATOM 739 OD1 ASN A 48 10.410 5.662 -4.409 1.00 0.00 O ATOM 740 ND2 ASN A 48 9.567 7.659 -4.152 1.00 0.00 N ATOM 0 H ASN A 48 8.967 6.334 -1.229 1.00 0.00 H new ATOM 0 HA ASN A 48 11.583 4.960 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.164 7.928 -2.185 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.356 6.870 -2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.945 7.522 -4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.548 8.538 -3.636 1.00 0.00 H new ATOM 747 N GLY A 49 12.113 5.581 0.624 1.00 0.00 N ATOM 748 CA GLY A 49 12.592 6.036 1.961 1.00 0.00 C ATOM 749 C GLY A 49 11.726 5.429 3.064 1.00 0.00 C ATOM 750 O GLY A 49 10.551 5.185 2.882 1.00 0.00 O ATOM 0 H GLY A 49 12.324 4.609 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.632 5.743 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.557 7.124 2.018 1.00 0.00 H new ATOM 754 N LYS A 50 12.295 5.187 4.213 1.00 0.00 N ATOM 755 CA LYS A 50 11.500 4.603 5.328 1.00 0.00 C ATOM 756 C LYS A 50 10.379 5.571 5.705 1.00 0.00 C ATOM 757 O LYS A 50 10.332 6.691 5.236 1.00 0.00 O ATOM 758 CB LYS A 50 12.406 4.374 6.540 1.00 0.00 C ATOM 759 CG LYS A 50 12.263 2.929 7.020 1.00 0.00 C ATOM 760 CD LYS A 50 13.431 2.577 7.943 1.00 0.00 C ATOM 761 CE LYS A 50 14.638 2.163 7.101 1.00 0.00 C ATOM 762 NZ LYS A 50 14.946 0.726 7.348 1.00 0.00 N ATOM 0 H LYS A 50 13.276 5.369 4.427 1.00 0.00 H new ATOM 0 HA LYS A 50 11.073 3.651 5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.443 4.579 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.139 5.063 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.318 2.802 7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.244 2.252 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.686 3.433 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.147 1.766 8.614 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.430 2.325 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.500 2.780 7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.767 0.444 6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.162 0.585 8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.125 0.145 7.085 1.00 0.00 H new ATOM 776 N LYS A 51 9.474 5.153 6.547 1.00 0.00 N ATOM 777 CA LYS A 51 8.362 6.059 6.945 1.00 0.00 C ATOM 778 C LYS A 51 7.577 6.472 5.698 1.00 0.00 C ATOM 779 O LYS A 51 6.818 7.421 5.715 1.00 0.00 O ATOM 780 CB LYS A 51 8.939 7.305 7.621 1.00 0.00 C ATOM 781 CG LYS A 51 7.830 8.044 8.370 1.00 0.00 C ATOM 782 CD LYS A 51 8.311 8.389 9.782 1.00 0.00 C ATOM 783 CE LYS A 51 7.328 7.823 10.809 1.00 0.00 C ATOM 784 NZ LYS A 51 5.955 8.322 10.510 1.00 0.00 N ATOM 0 H LYS A 51 9.457 4.227 6.975 1.00 0.00 H new ATOM 0 HA LYS A 51 7.699 5.543 7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.732 7.021 8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.387 7.961 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.558 8.954 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.935 7.424 8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.306 7.977 9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.391 9.470 9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.344 6.733 10.782 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.624 8.121 11.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.422 8.425 11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.017 9.245 10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.467 7.645 9.890 1.00 0.00 H new ATOM 798 N VAL A 52 7.754 5.765 4.614 1.00 0.00 N ATOM 799 CA VAL A 52 7.022 6.117 3.365 1.00 0.00 C ATOM 800 C VAL A 52 6.381 4.856 2.778 1.00 0.00 C ATOM 801 O VAL A 52 5.291 4.892 2.247 1.00 0.00 O ATOM 802 CB VAL A 52 8.008 6.744 2.360 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.543 5.692 1.378 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.297 7.850 1.577 1.00 0.00 C ATOM 0 H VAL A 52 8.374 4.959 4.540 1.00 0.00 H new ATOM 0 HA VAL A 52 6.235 6.838 3.583 1.00 0.00 H new ATOM 0 HB VAL A 52 8.850 7.155 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.236 6.164 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.061 4.909 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.712 5.256 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.992 8.296 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.448 7.427 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.944 8.616 2.268 1.00 0.00 H new ATOM 814 N SER A 53 7.062 3.747 2.865 1.00 0.00 N ATOM 815 CA SER A 53 6.512 2.477 2.308 1.00 0.00 C ATOM 816 C SER A 53 5.010 2.390 2.582 1.00 0.00 C ATOM 817 O SER A 53 4.230 2.073 1.709 1.00 0.00 O ATOM 818 CB SER A 53 7.218 1.289 2.962 1.00 0.00 C ATOM 819 OG SER A 53 6.468 0.862 4.091 1.00 0.00 O ATOM 0 H SER A 53 7.981 3.664 3.300 1.00 0.00 H new ATOM 0 HA SER A 53 6.679 2.458 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.318 0.472 2.247 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.226 1.572 3.266 1.00 0.00 H new ATOM 0 HG SER A 53 7.021 0.933 4.897 1.00 0.00 H new ATOM 825 N LYS A 54 4.603 2.669 3.786 1.00 0.00 N ATOM 826 CA LYS A 54 3.150 2.600 4.120 1.00 0.00 C ATOM 827 C LYS A 54 2.373 3.615 3.279 1.00 0.00 C ATOM 828 O LYS A 54 1.698 3.260 2.333 1.00 0.00 O ATOM 829 CB LYS A 54 2.958 2.913 5.606 1.00 0.00 C ATOM 830 CG LYS A 54 2.526 1.644 6.342 1.00 0.00 C ATOM 831 CD LYS A 54 3.520 0.519 6.048 1.00 0.00 C ATOM 832 CE LYS A 54 4.126 0.017 7.361 1.00 0.00 C ATOM 833 NZ LYS A 54 3.519 -1.295 7.719 1.00 0.00 N ATOM 0 H LYS A 54 5.212 2.943 4.557 1.00 0.00 H new ATOM 0 HA LYS A 54 2.777 1.599 3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.886 3.295 6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.206 3.692 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.480 1.831 7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.525 1.351 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.018 -0.299 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.307 0.879 5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.206 -0.086 7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.948 0.741 8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.931 -1.636 8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.491 -1.183 7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.711 -1.984 6.964 1.00 0.00 H new ATOM 847 N LYS A 55 2.455 4.874 3.619 1.00 0.00 N ATOM 848 CA LYS A 55 1.714 5.912 2.841 1.00 0.00 C ATOM 849 C LYS A 55 1.825 5.615 1.344 1.00 0.00 C ATOM 850 O LYS A 55 0.850 5.305 0.690 1.00 0.00 O ATOM 851 CB LYS A 55 2.313 7.290 3.131 1.00 0.00 C ATOM 852 CG LYS A 55 1.575 8.350 2.311 1.00 0.00 C ATOM 853 CD LYS A 55 2.022 9.744 2.755 1.00 0.00 C ATOM 854 CE LYS A 55 2.574 10.511 1.551 1.00 0.00 C ATOM 855 NZ LYS A 55 3.927 11.044 1.878 1.00 0.00 N ATOM 0 H LYS A 55 3.003 5.229 4.402 1.00 0.00 H new ATOM 0 HA LYS A 55 0.664 5.899 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.233 7.517 4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.374 7.297 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.781 8.212 1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.498 8.243 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.182 10.285 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.785 9.663 3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.630 9.854 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.903 11.329 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.302 11.565 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.860 11.684 2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.565 10.255 2.108 1.00 0.00 H new ATOM 869 N ARG A 56 3.007 5.717 0.800 1.00 0.00 N ATOM 870 CA ARG A 56 3.200 5.448 -0.656 1.00 0.00 C ATOM 871 C ARG A 56 2.333 4.264 -1.097 1.00 0.00 C ATOM 872 O ARG A 56 1.535 4.374 -2.005 1.00 0.00 O ATOM 873 CB ARG A 56 4.672 5.119 -0.918 1.00 0.00 C ATOM 874 CG ARG A 56 5.419 6.391 -1.321 1.00 0.00 C ATOM 875 CD ARG A 56 5.056 6.764 -2.759 1.00 0.00 C ATOM 876 NE ARG A 56 5.690 8.065 -3.117 1.00 0.00 N ATOM 877 CZ ARG A 56 5.796 9.011 -2.223 1.00 0.00 C ATOM 878 NH1 ARG A 56 6.617 8.870 -1.218 1.00 0.00 N ATOM 879 NH2 ARG A 56 5.079 10.096 -2.332 1.00 0.00 N ATOM 0 H ARG A 56 3.854 5.977 1.305 1.00 0.00 H new ATOM 0 HA ARG A 56 2.908 6.333 -1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.123 4.688 -0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.753 4.372 -1.708 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.159 7.207 -0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.495 6.236 -1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.392 5.985 -3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.973 6.835 -2.864 1.00 0.00 H new ATOM 0 HE ARG A 56 6.042 8.217 -4.062 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.176 8.021 -1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.700 9.609 -0.520 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.435 10.205 -3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.162 10.835 -1.633 1.00 0.00 H new ATOM 893 N ALA A 57 2.491 3.130 -0.470 1.00 0.00 N ATOM 894 CA ALA A 57 1.686 1.942 -0.864 1.00 0.00 C ATOM 895 C ALA A 57 0.199 2.310 -0.919 1.00 0.00 C ATOM 896 O ALA A 57 -0.484 2.015 -1.876 1.00 0.00 O ATOM 897 CB ALA A 57 1.881 0.818 0.160 1.00 0.00 C ATOM 0 H ALA A 57 3.144 2.976 0.299 1.00 0.00 H new ATOM 0 HA ALA A 57 2.017 1.607 -1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.289 -0.049 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.935 0.541 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.558 1.161 1.143 1.00 0.00 H new ATOM 903 N ALA A 58 -0.314 2.922 0.117 1.00 0.00 N ATOM 904 CA ALA A 58 -1.764 3.277 0.144 1.00 0.00 C ATOM 905 C ALA A 58 -2.116 4.173 -1.043 1.00 0.00 C ATOM 906 O ALA A 58 -2.981 3.849 -1.833 1.00 0.00 O ATOM 907 CB ALA A 58 -2.095 3.996 1.453 1.00 0.00 C ATOM 0 H ALA A 58 0.211 3.192 0.949 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.351 2.361 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.154 4.253 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.868 3.342 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.499 4.906 1.529 1.00 0.00 H new ATOM 913 N GLU A 59 -1.465 5.296 -1.189 1.00 0.00 N ATOM 914 CA GLU A 59 -1.793 6.174 -2.344 1.00 0.00 C ATOM 915 C GLU A 59 -1.822 5.310 -3.599 1.00 0.00 C ATOM 916 O GLU A 59 -2.650 5.479 -4.466 1.00 0.00 O ATOM 917 CB GLU A 59 -0.729 7.261 -2.504 1.00 0.00 C ATOM 918 CG GLU A 59 -1.015 8.402 -1.525 1.00 0.00 C ATOM 919 CD GLU A 59 0.222 9.293 -1.405 1.00 0.00 C ATOM 920 OE1 GLU A 59 1.317 8.756 -1.393 1.00 0.00 O ATOM 921 OE2 GLU A 59 0.054 10.499 -1.326 1.00 0.00 O ATOM 0 H GLU A 59 -0.732 5.638 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.758 6.654 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.261 6.846 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.729 7.637 -3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.866 8.988 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.282 7.999 -0.548 1.00 0.00 H new ATOM 928 N LYS A 60 -0.922 4.374 -3.687 1.00 0.00 N ATOM 929 CA LYS A 60 -0.885 3.476 -4.870 1.00 0.00 C ATOM 930 C LYS A 60 -2.197 2.689 -4.939 1.00 0.00 C ATOM 931 O LYS A 60 -2.788 2.534 -5.988 1.00 0.00 O ATOM 932 CB LYS A 60 0.292 2.505 -4.723 1.00 0.00 C ATOM 933 CG LYS A 60 1.182 2.593 -5.966 1.00 0.00 C ATOM 934 CD LYS A 60 2.493 3.296 -5.609 1.00 0.00 C ATOM 935 CE LYS A 60 2.202 4.743 -5.205 1.00 0.00 C ATOM 936 NZ LYS A 60 3.000 5.667 -6.061 1.00 0.00 N ATOM 0 H LYS A 60 -0.205 4.192 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.763 4.060 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.869 2.748 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.076 1.487 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.386 1.594 -6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.668 3.140 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.989 2.772 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.173 3.275 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.139 4.956 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.451 4.896 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.803 6.651 -5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.013 5.469 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.741 5.527 -7.058 1.00 0.00 H new ATOM 950 N MET A 61 -2.652 2.197 -3.818 1.00 0.00 N ATOM 951 CA MET A 61 -3.921 1.419 -3.788 1.00 0.00 C ATOM 952 C MET A 61 -5.105 2.335 -4.097 1.00 0.00 C ATOM 953 O MET A 61 -5.739 2.229 -5.131 1.00 0.00 O ATOM 954 CB MET A 61 -4.106 0.828 -2.389 1.00 0.00 C ATOM 955 CG MET A 61 -5.512 0.242 -2.262 1.00 0.00 C ATOM 956 SD MET A 61 -5.601 -1.281 -3.226 1.00 0.00 S ATOM 957 CE MET A 61 -4.465 -2.237 -2.196 1.00 0.00 C ATOM 0 H MET A 61 -2.193 2.303 -2.913 1.00 0.00 H new ATOM 0 HA MET A 61 -3.874 0.626 -4.534 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.361 0.053 -2.209 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.953 1.599 -1.634 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.743 0.040 -1.216 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.252 0.958 -2.619 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.401 -3.257 -2.575 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.477 -1.777 -2.221 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.831 -2.254 -1.170 1.00 0.00 H new ATOM 967 N LEU A 62 -5.420 3.226 -3.197 1.00 0.00 N ATOM 968 CA LEU A 62 -6.572 4.136 -3.433 1.00 0.00 C ATOM 969 C LEU A 62 -6.459 4.702 -4.843 1.00 0.00 C ATOM 970 O LEU A 62 -7.313 4.494 -5.677 1.00 0.00 O ATOM 971 CB LEU A 62 -6.555 5.266 -2.404 1.00 0.00 C ATOM 972 CG LEU A 62 -6.676 4.728 -0.958 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.680 5.595 -0.203 1.00 0.00 C ATOM 974 CD2 LEU A 62 -7.173 3.265 -0.893 1.00 0.00 C ATOM 0 H LEU A 62 -4.931 3.362 -2.312 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.511 3.592 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.631 5.835 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.376 5.954 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.679 4.762 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.779 5.231 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.331 6.627 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.649 5.547 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.236 2.948 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.158 3.195 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.476 2.620 -1.427 1.00 0.00 H new ATOM 986 N VAL A 63 -5.395 5.395 -5.129 1.00 0.00 N ATOM 987 CA VAL A 63 -5.222 5.943 -6.499 1.00 0.00 C ATOM 988 C VAL A 63 -5.532 4.834 -7.505 1.00 0.00 C ATOM 989 O VAL A 63 -6.166 5.054 -8.518 1.00 0.00 O ATOM 990 CB VAL A 63 -3.777 6.408 -6.676 1.00 0.00 C ATOM 991 CG1 VAL A 63 -3.558 6.875 -8.109 1.00 0.00 C ATOM 992 CG2 VAL A 63 -3.490 7.564 -5.714 1.00 0.00 C ATOM 0 H VAL A 63 -4.640 5.605 -4.476 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.892 6.788 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.104 5.578 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.526 7.206 -8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.758 6.052 -8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.232 7.703 -8.329 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.459 7.895 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.166 8.392 -5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.640 7.229 -4.688 1.00 0.00 H new ATOM 1002 N GLU A 64 -5.085 3.639 -7.225 1.00 0.00 N ATOM 1003 CA GLU A 64 -5.344 2.499 -8.151 1.00 0.00 C ATOM 1004 C GLU A 64 -6.848 2.371 -8.418 1.00 0.00 C ATOM 1005 O GLU A 64 -7.305 2.574 -9.526 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.831 1.200 -7.527 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.719 0.622 -8.406 1.00 0.00 C ATOM 1008 CD GLU A 64 -4.280 0.295 -9.790 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -4.328 1.193 -10.615 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -4.653 -0.846 -10.002 1.00 0.00 O ATOM 0 H GLU A 64 -4.549 3.403 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.825 2.684 -9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.454 1.390 -6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.646 0.482 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.901 1.337 -8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.308 -0.277 -7.947 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.623 2.019 -7.423 1.00 0.00 N ATOM 1018 CA LEU A 65 -9.093 1.866 -7.659 1.00 0.00 C ATOM 1019 C LEU A 65 -9.675 3.165 -8.223 1.00 0.00 C ATOM 1020 O LEU A 65 -10.723 3.165 -8.839 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.841 1.504 -6.365 1.00 0.00 C ATOM 1022 CG LEU A 65 -9.064 1.975 -5.139 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -10.041 2.502 -4.086 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.286 0.793 -4.566 1.00 0.00 C ATOM 0 H LEU A 65 -7.309 1.833 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.224 1.054 -8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.830 1.961 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.989 0.425 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.375 2.772 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.486 2.838 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.606 3.337 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.728 1.707 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.726 1.117 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.981 0.003 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.594 0.414 -5.318 1.00 0.00 H new ATOM 1036 N GLN A 66 -9.014 4.273 -8.024 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.553 5.558 -8.558 1.00 0.00 C ATOM 1038 C GLN A 66 -9.514 5.527 -10.087 1.00 0.00 C ATOM 1039 O GLN A 66 -10.472 5.876 -10.748 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.710 6.737 -8.052 1.00 0.00 C ATOM 1041 CG GLN A 66 -8.863 6.915 -6.528 1.00 0.00 C ATOM 1042 CD GLN A 66 -10.182 6.373 -6.037 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -11.236 6.716 -6.533 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -10.151 5.530 -5.060 1.00 0.00 N ATOM 0 H GLN A 66 -8.131 4.345 -7.519 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.580 5.682 -8.215 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.661 6.570 -8.298 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.016 7.651 -8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.046 6.405 -6.017 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.786 7.972 -6.275 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.257 5.252 -4.654 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.020 5.142 -4.694 1.00 0.00 H new ATOM 1053 N LYS A 67 -8.415 5.113 -10.654 1.00 0.00 N ATOM 1054 CA LYS A 67 -8.322 5.061 -12.140 1.00 0.00 C ATOM 1055 C LYS A 67 -9.375 4.092 -12.679 1.00 0.00 C ATOM 1056 O LYS A 67 -10.168 4.433 -13.535 1.00 0.00 O ATOM 1057 CB LYS A 67 -6.928 4.582 -12.548 1.00 0.00 C ATOM 1058 CG LYS A 67 -5.871 5.469 -11.886 1.00 0.00 C ATOM 1059 CD LYS A 67 -4.707 5.686 -12.853 1.00 0.00 C ATOM 1060 CE LYS A 67 -3.965 4.365 -13.065 1.00 0.00 C ATOM 1061 NZ LYS A 67 -2.821 4.582 -13.995 1.00 0.00 N ATOM 0 H LYS A 67 -7.579 4.809 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.497 6.055 -12.552 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.786 3.544 -12.249 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.822 4.618 -13.632 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.309 6.427 -11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.513 5.003 -10.968 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.078 6.064 -13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.026 6.438 -12.455 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.604 3.981 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.643 3.616 -13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.316 3.684 -14.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.177 4.930 -14.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.170 5.283 -13.587 1.00 0.00 H new ATOM 1075 N LEU A 68 -9.387 2.888 -12.185 1.00 0.00 N ATOM 1076 CA LEU A 68 -10.381 1.894 -12.661 1.00 0.00 C ATOM 1077 C LEU A 68 -11.633 1.959 -11.783 1.00 0.00 C ATOM 1078 O LEU A 68 -12.409 1.018 -11.821 1.00 0.00 O ATOM 1079 CB LEU A 68 -9.764 0.500 -12.574 1.00 0.00 C ATOM 1080 CG LEU A 68 -8.286 0.566 -12.968 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -7.761 -0.848 -13.218 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -8.132 1.397 -14.245 1.00 0.00 C ATOM 1083 OXT LEU A 68 -11.794 2.948 -11.086 1.00 0.00 O ATOM 0 H LEU A 68 -8.746 2.549 -11.467 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.658 2.112 -13.692 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.863 0.110 -11.561 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.296 -0.186 -13.233 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.718 1.029 -12.161 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.709 -0.801 -13.499 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.868 -1.442 -12.310 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.331 -1.311 -14.024 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.079 1.443 -14.524 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.701 0.934 -15.051 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.505 2.406 -14.070 1.00 0.00 H new TER 1095 LEU A 68