USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 753 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 86 ASN : amide:sc= -10.2! C(o=-16!,f=-38!) USER MOD Set 1.2: A 88 ASN : amide:sc= -5.99! C(o=-16!,f=-25!) USER MOD Set 2.1: A 52 SER OG : rot -145:sc= -1.73! USER MOD Set 2.2: A 97 TYR OH : rot 50:sc= -2.35! USER MOD Set 3.1: A 4 LYS NZ :NH3+ 166:sc= 0.201 (180deg=0.135) USER MOD Set 3.2: A 5 SER OG : rot -129:sc= -1.53! USER MOD Set 3.3: A 47 TYR OH : rot -73:sc= -4.95! USER MOD Single : A 1 MET CE :methyl 143:sc= -24.6! (180deg=-30.1!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.097) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0887 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.863 K(o=-0.86,f=-3.3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= 0.232 (180deg=-0.184) USER MOD Single : A 22 LYS NZ :NH3+ 135:sc= -1.02 (180deg=-4.02!) USER MOD Single : A 24 ASN : amide:sc= -3.91! C(o=-3.9!,f=-3.9!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.635 USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.108) USER MOD Single : A 33 GLN : amide:sc= -0.779 K(o=-0.78,f=-1.6) USER MOD Single : A 34 CYS SG : rot -170:sc= -6.48! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0525 K(o=-0.053,f=-1.7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 19:sc= 0.656! USER MOD Single : A 71 SER OG : rot 180:sc= -0.714 USER MOD Single : A 72 SER OG : rot -109:sc= 1.23 USER MOD Single : A 73 MET CE :methyl 143:sc= -1.54 (180deg=-3.85!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.261 K(o=-0.26,f=-2!) USER MOD Single : A 82 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.172) USER MOD Single : A 85 LYS NZ :NH3+ -152:sc= -0.457 (180deg=-1.56!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0956 USER MOD Single : A 93 LYS NZ :NH3+ -143:sc= -1.06 (180deg=-3.89!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 145:sc=-0.00785 (180deg=-0.699) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.615 5.429 13.777 1.00 0.00 N ATOM 2 CA MET A 1 4.436 5.898 12.377 1.00 0.00 C ATOM 3 C MET A 1 3.989 7.347 12.332 1.00 0.00 C ATOM 4 O MET A 1 3.113 7.756 13.093 1.00 0.00 O ATOM 5 CB MET A 1 3.374 5.033 11.698 1.00 0.00 C ATOM 6 CG MET A 1 3.462 5.034 10.190 1.00 0.00 C ATOM 7 SD MET A 1 3.964 3.461 9.502 1.00 0.00 S ATOM 8 CE MET A 1 2.976 2.361 10.495 1.00 0.00 C ATOM 0 H1 MET A 1 4.921 4.435 13.774 1.00 0.00 H new ATOM 0 H2 MET A 1 5.336 6.011 14.249 1.00 0.00 H new ATOM 0 H3 MET A 1 3.714 5.512 14.289 1.00 0.00 H new ATOM 0 HA MET A 1 5.393 5.817 11.862 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.468 4.008 12.058 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.386 5.386 11.996 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.491 5.308 9.778 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.170 5.801 9.876 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.631 1.528 9.882 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.576 1.979 11.321 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.116 2.901 10.890 1.00 0.00 H new ATOM 20 N ASP A 2 4.561 8.116 11.413 1.00 0.00 N ATOM 21 CA ASP A 2 4.166 9.505 11.265 1.00 0.00 C ATOM 22 C ASP A 2 2.672 9.545 10.967 1.00 0.00 C ATOM 23 O ASP A 2 2.076 8.510 10.694 1.00 0.00 O ATOM 24 CB ASP A 2 4.967 10.186 10.157 1.00 0.00 C ATOM 25 CG ASP A 2 6.394 10.482 10.576 1.00 0.00 C ATOM 26 OD1 ASP A 2 7.232 9.558 10.524 1.00 0.00 O ATOM 27 OD2 ASP A 2 6.672 11.639 10.958 1.00 0.00 O ATOM 0 H ASP A 2 5.289 7.805 10.770 1.00 0.00 H new ATOM 0 HA ASP A 2 4.373 10.050 12.186 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.975 9.548 9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.474 11.116 9.874 1.00 0.00 H new ATOM 32 N ILE A 3 2.066 10.716 11.049 1.00 0.00 N ATOM 33 CA ILE A 3 0.628 10.841 10.818 1.00 0.00 C ATOM 34 C ILE A 3 0.227 10.335 9.445 1.00 0.00 C ATOM 35 O ILE A 3 -0.612 9.442 9.321 1.00 0.00 O ATOM 36 CB ILE A 3 0.167 12.297 11.014 1.00 0.00 C ATOM 37 CG1 ILE A 3 0.114 12.631 12.510 1.00 0.00 C ATOM 38 CG2 ILE A 3 -1.189 12.533 10.362 1.00 0.00 C ATOM 39 CD1 ILE A 3 0.897 11.664 13.380 1.00 0.00 C ATOM 0 H ILE A 3 2.539 11.592 11.272 1.00 0.00 H new ATOM 0 HA ILE A 3 0.128 10.214 11.556 1.00 0.00 H new ATOM 0 HB ILE A 3 0.887 12.957 10.530 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.502 13.638 12.662 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.926 12.637 12.835 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.491 13.569 10.515 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.119 12.330 9.293 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.929 11.869 10.810 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.813 11.964 14.424 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.495 10.658 13.258 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.946 11.674 13.083 1.00 0.00 H new ATOM 51 N LYS A 4 0.830 10.905 8.424 1.00 0.00 N ATOM 52 CA LYS A 4 0.541 10.508 7.049 1.00 0.00 C ATOM 53 C LYS A 4 0.526 8.988 6.934 1.00 0.00 C ATOM 54 O LYS A 4 -0.333 8.403 6.277 1.00 0.00 O ATOM 55 CB LYS A 4 1.580 11.077 6.066 1.00 0.00 C ATOM 56 CG LYS A 4 2.759 11.810 6.702 1.00 0.00 C ATOM 57 CD LYS A 4 3.596 10.938 7.633 1.00 0.00 C ATOM 58 CE LYS A 4 3.943 9.586 7.050 1.00 0.00 C ATOM 59 NZ LYS A 4 5.234 9.608 6.307 1.00 0.00 N ATOM 0 H LYS A 4 1.525 11.646 8.513 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.438 10.911 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.968 10.257 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.073 11.762 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.400 12.202 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.383 12.666 7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.518 11.465 7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.053 10.793 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.000 8.850 7.852 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.145 9.266 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.550 8.633 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.104 10.099 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.951 10.107 6.871 1.00 0.00 H new ATOM 73 N SER A 5 1.491 8.368 7.592 1.00 0.00 N ATOM 74 CA SER A 5 1.621 6.915 7.594 1.00 0.00 C ATOM 75 C SER A 5 0.752 6.280 8.669 1.00 0.00 C ATOM 76 O SER A 5 0.372 5.118 8.566 1.00 0.00 O ATOM 77 CB SER A 5 3.085 6.515 7.764 1.00 0.00 C ATOM 78 OG SER A 5 3.861 6.933 6.656 1.00 0.00 O ATOM 0 H SER A 5 2.204 8.851 8.138 1.00 0.00 H new ATOM 0 HA SER A 5 1.270 6.542 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.482 6.958 8.677 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.159 5.433 7.876 1.00 0.00 H new ATOM 0 HG SER A 5 4.386 6.177 6.321 1.00 0.00 H new ATOM 84 N GLN A 6 0.449 7.046 9.706 1.00 0.00 N ATOM 85 CA GLN A 6 -0.364 6.568 10.806 1.00 0.00 C ATOM 86 C GLN A 6 -1.742 6.158 10.349 1.00 0.00 C ATOM 87 O GLN A 6 -2.269 5.145 10.793 1.00 0.00 O ATOM 88 CB GLN A 6 -0.490 7.673 11.845 1.00 0.00 C ATOM 89 CG GLN A 6 -0.287 7.204 13.255 1.00 0.00 C ATOM 90 CD GLN A 6 -1.013 8.069 14.260 1.00 0.00 C ATOM 91 OE1 GLN A 6 -0.423 8.555 15.225 1.00 0.00 O ATOM 92 NE2 GLN A 6 -2.306 8.264 14.036 1.00 0.00 N ATOM 0 H GLN A 6 0.760 8.012 9.806 1.00 0.00 H new ATOM 0 HA GLN A 6 0.123 5.690 11.231 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.239 8.453 11.623 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.478 8.127 11.761 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.635 6.175 13.347 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.779 7.202 13.484 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.752 7.841 13.222 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.854 8.837 14.677 1.00 0.00 H new ATOM 101 N THR A 7 -2.325 6.950 9.476 1.00 0.00 N ATOM 102 CA THR A 7 -3.648 6.647 8.978 1.00 0.00 C ATOM 103 C THR A 7 -3.560 5.619 7.876 1.00 0.00 C ATOM 104 O THR A 7 -4.416 4.743 7.765 1.00 0.00 O ATOM 105 CB THR A 7 -4.377 7.897 8.512 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.538 9.038 8.587 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.604 8.161 9.347 1.00 0.00 C ATOM 0 H THR A 7 -1.908 7.801 9.099 1.00 0.00 H new ATOM 0 HA THR A 7 -4.233 6.231 9.798 1.00 0.00 H new ATOM 0 HB THR A 7 -4.668 7.719 7.477 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.031 9.827 8.280 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.102 9.062 8.988 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.286 7.314 9.270 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.313 8.299 10.388 1.00 0.00 H new ATOM 115 N LEU A 8 -2.493 5.692 7.094 1.00 0.00 N ATOM 116 CA LEU A 8 -2.284 4.714 6.048 1.00 0.00 C ATOM 117 C LEU A 8 -2.029 3.379 6.725 1.00 0.00 C ATOM 118 O LEU A 8 -2.531 2.336 6.302 1.00 0.00 O ATOM 119 CB LEU A 8 -1.111 5.118 5.135 1.00 0.00 C ATOM 120 CG LEU A 8 0.189 4.332 5.335 1.00 0.00 C ATOM 121 CD1 LEU A 8 0.084 2.956 4.694 1.00 0.00 C ATOM 122 CD2 LEU A 8 1.376 5.099 4.767 1.00 0.00 C ATOM 0 H LEU A 8 -1.771 6.409 7.165 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.161 4.648 5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.426 5.005 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.902 6.176 5.291 1.00 0.00 H new ATOM 0 HG LEU A 8 0.349 4.202 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.016 2.412 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.737 2.404 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.102 3.066 3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.288 4.523 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.226 5.264 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.465 6.060 5.274 1.00 0.00 H new ATOM 134 N TYR A 9 -1.279 3.439 7.820 1.00 0.00 N ATOM 135 CA TYR A 9 -0.995 2.263 8.598 1.00 0.00 C ATOM 136 C TYR A 9 -2.255 1.838 9.320 1.00 0.00 C ATOM 137 O TYR A 9 -2.741 0.726 9.149 1.00 0.00 O ATOM 138 CB TYR A 9 0.095 2.554 9.594 1.00 0.00 C ATOM 139 CG TYR A 9 0.247 1.488 10.641 1.00 0.00 C ATOM 140 CD1 TYR A 9 0.143 0.131 10.330 1.00 0.00 C ATOM 141 CD2 TYR A 9 0.531 1.849 11.940 1.00 0.00 C ATOM 142 CE1 TYR A 9 0.325 -0.825 11.312 1.00 0.00 C ATOM 143 CE2 TYR A 9 0.710 0.910 12.921 1.00 0.00 C ATOM 144 CZ TYR A 9 0.611 -0.430 12.607 1.00 0.00 C ATOM 145 OH TYR A 9 0.793 -1.380 13.586 1.00 0.00 O ATOM 0 H TYR A 9 -0.861 4.297 8.180 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.659 1.461 7.941 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.040 2.669 9.064 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.114 3.506 10.083 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.081 -0.173 9.318 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.614 2.896 12.190 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.244 -1.874 11.070 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.927 1.216 13.934 1.00 0.00 H new ATOM 0 HH TYR A 9 0.987 -0.938 14.439 1.00 0.00 H new ATOM 155 N LEU A 10 -2.797 2.754 10.116 1.00 0.00 N ATOM 156 CA LEU A 10 -4.028 2.484 10.838 1.00 0.00 C ATOM 157 C LEU A 10 -5.052 1.945 9.860 1.00 0.00 C ATOM 158 O LEU A 10 -5.871 1.093 10.201 1.00 0.00 O ATOM 159 CB LEU A 10 -4.565 3.750 11.508 1.00 0.00 C ATOM 160 CG LEU A 10 -4.047 4.004 12.922 1.00 0.00 C ATOM 161 CD1 LEU A 10 -4.400 5.413 13.373 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.616 2.971 13.883 1.00 0.00 C ATOM 0 H LEU A 10 -2.404 3.682 10.275 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.829 1.753 11.621 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.311 4.608 10.885 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.653 3.691 11.541 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.961 3.911 12.919 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.023 5.577 14.383 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.947 6.136 12.695 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.483 5.537 13.365 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.239 3.163 14.888 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.704 3.036 13.885 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.313 1.973 13.566 1.00 0.00 H new ATOM 174 N ASN A 11 -4.964 2.426 8.622 1.00 0.00 N ATOM 175 CA ASN A 11 -5.852 1.972 7.573 1.00 0.00 C ATOM 176 C ASN A 11 -5.648 0.475 7.377 1.00 0.00 C ATOM 177 O ASN A 11 -6.598 -0.273 7.149 1.00 0.00 O ATOM 178 CB ASN A 11 -5.579 2.721 6.267 1.00 0.00 C ATOM 179 CG ASN A 11 -6.530 3.883 6.054 1.00 0.00 C ATOM 180 OD1 ASN A 11 -7.525 4.023 6.764 1.00 0.00 O ATOM 181 ND2 ASN A 11 -6.226 4.724 5.073 1.00 0.00 N ATOM 0 H ASN A 11 -4.286 3.129 8.328 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.884 2.172 7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.554 3.091 6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.664 2.028 5.430 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.828 5.525 4.883 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.390 4.569 4.509 1.00 0.00 H new ATOM 188 N LEU A 12 -4.388 0.047 7.497 1.00 0.00 N ATOM 189 CA LEU A 12 -4.042 -1.359 7.364 1.00 0.00 C ATOM 190 C LEU A 12 -4.812 -2.183 8.386 1.00 0.00 C ATOM 191 O LEU A 12 -5.479 -3.156 8.041 1.00 0.00 O ATOM 192 CB LEU A 12 -2.535 -1.575 7.511 1.00 0.00 C ATOM 193 CG LEU A 12 -1.741 -1.336 6.227 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.319 -0.912 6.545 1.00 0.00 C ATOM 195 CD2 LEU A 12 -1.742 -2.581 5.356 1.00 0.00 C ATOM 0 H LEU A 12 -3.595 0.660 7.686 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.323 -1.690 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.158 -0.910 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.357 -2.595 7.851 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.224 -0.529 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.228 -0.747 5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.336 0.011 7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.174 -1.694 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.172 -2.390 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.288 -3.408 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.768 -2.840 5.093 1.00 0.00 H new ATOM 207 N SER A 13 -4.744 -1.761 9.641 1.00 0.00 N ATOM 208 CA SER A 13 -5.462 -2.435 10.710 1.00 0.00 C ATOM 209 C SER A 13 -6.956 -2.351 10.451 1.00 0.00 C ATOM 210 O SER A 13 -7.711 -3.304 10.679 1.00 0.00 O ATOM 211 CB SER A 13 -5.132 -1.790 12.055 1.00 0.00 C ATOM 212 OG SER A 13 -3.848 -2.180 12.509 1.00 0.00 O ATOM 0 H SER A 13 -4.198 -0.954 9.943 1.00 0.00 H new ATOM 0 HA SER A 13 -5.158 -3.481 10.739 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.173 -0.705 11.961 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.883 -2.075 12.792 1.00 0.00 H new ATOM 0 HG SER A 13 -3.662 -1.752 13.371 1.00 0.00 H new ATOM 218 N GLU A 14 -7.370 -1.195 9.959 1.00 0.00 N ATOM 219 CA GLU A 14 -8.767 -0.954 9.651 1.00 0.00 C ATOM 220 C GLU A 14 -9.283 -1.969 8.658 1.00 0.00 C ATOM 221 O GLU A 14 -10.456 -2.339 8.690 1.00 0.00 O ATOM 222 CB GLU A 14 -8.970 0.449 9.085 1.00 0.00 C ATOM 223 CG GLU A 14 -8.527 1.555 10.021 1.00 0.00 C ATOM 224 CD GLU A 14 -9.633 2.553 10.309 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.802 2.128 10.423 1.00 0.00 O ATOM 226 OE2 GLU A 14 -9.330 3.760 10.417 1.00 0.00 O ATOM 0 H GLU A 14 -6.754 -0.406 9.764 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.325 -1.047 10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.420 0.536 8.148 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.025 0.586 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.184 1.117 10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.676 2.077 9.584 1.00 0.00 H new ATOM 233 N ALA A 15 -8.405 -2.446 7.789 1.00 0.00 N ATOM 234 CA ALA A 15 -8.796 -3.440 6.830 1.00 0.00 C ATOM 235 C ALA A 15 -8.844 -4.780 7.511 1.00 0.00 C ATOM 236 O ALA A 15 -9.590 -5.675 7.121 1.00 0.00 O ATOM 237 CB ALA A 15 -7.873 -3.446 5.644 1.00 0.00 C ATOM 0 H ALA A 15 -7.428 -2.157 7.736 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.788 -3.205 6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.195 -4.209 4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.896 -2.469 5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.857 -3.664 5.974 1.00 0.00 H new ATOM 243 N TYR A 16 -8.042 -4.909 8.557 1.00 0.00 N ATOM 244 CA TYR A 16 -8.006 -6.132 9.308 1.00 0.00 C ATOM 245 C TYR A 16 -9.360 -6.399 9.918 1.00 0.00 C ATOM 246 O TYR A 16 -9.725 -7.543 10.151 1.00 0.00 O ATOM 247 CB TYR A 16 -6.922 -6.095 10.377 1.00 0.00 C ATOM 248 CG TYR A 16 -6.201 -7.401 10.446 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.876 -8.051 9.276 1.00 0.00 C ATOM 250 CD2 TYR A 16 -5.884 -7.995 11.653 1.00 0.00 C ATOM 251 CE1 TYR A 16 -5.239 -9.274 9.297 1.00 0.00 C ATOM 252 CE2 TYR A 16 -5.249 -9.221 11.692 1.00 0.00 C ATOM 253 CZ TYR A 16 -4.928 -9.858 10.511 1.00 0.00 C ATOM 254 OH TYR A 16 -4.297 -11.080 10.542 1.00 0.00 O ATOM 0 H TYR A 16 -7.414 -4.180 8.895 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.760 -6.948 8.628 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.215 -5.295 10.157 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.368 -5.869 11.346 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.124 -7.596 8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.136 -7.495 12.576 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.985 -9.772 8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.006 -9.678 12.640 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.150 -11.349 11.473 1.00 0.00 H new ATOM 264 N LYS A 17 -10.118 -5.337 10.134 1.00 0.00 N ATOM 265 CA LYS A 17 -11.454 -5.476 10.658 1.00 0.00 C ATOM 266 C LYS A 17 -12.451 -5.521 9.496 1.00 0.00 C ATOM 267 O LYS A 17 -13.662 -5.522 9.707 1.00 0.00 O ATOM 268 CB LYS A 17 -11.788 -4.349 11.647 1.00 0.00 C ATOM 269 CG LYS A 17 -12.300 -3.067 11.007 1.00 0.00 C ATOM 270 CD LYS A 17 -11.737 -1.838 11.707 1.00 0.00 C ATOM 271 CE LYS A 17 -12.379 -0.551 11.209 1.00 0.00 C ATOM 272 NZ LYS A 17 -12.790 -0.641 9.780 1.00 0.00 N ATOM 0 H LYS A 17 -9.827 -4.376 9.954 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.522 -6.410 11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.538 -4.712 12.349 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.894 -4.117 12.227 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.022 -3.048 9.953 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.389 -3.046 11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.895 -1.929 12.782 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.660 -1.791 11.546 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.251 -0.322 11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.677 0.274 11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.015 0.310 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.013 -1.046 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.629 -1.249 9.698 1.00 0.00 H new ATOM 286 N ASP A 18 -11.919 -5.582 8.262 1.00 0.00 N ATOM 287 CA ASP A 18 -12.752 -5.657 7.063 1.00 0.00 C ATOM 288 C ASP A 18 -13.206 -7.099 6.833 1.00 0.00 C ATOM 289 O ASP A 18 -12.393 -7.953 6.483 1.00 0.00 O ATOM 290 CB ASP A 18 -12.012 -5.146 5.829 1.00 0.00 C ATOM 291 CG ASP A 18 -12.065 -3.636 5.714 1.00 0.00 C ATOM 292 OD1 ASP A 18 -11.982 -2.958 6.760 1.00 0.00 O ATOM 293 OD2 ASP A 18 -12.191 -3.132 4.579 1.00 0.00 O ATOM 0 H ASP A 18 -10.916 -5.580 8.076 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.621 -5.018 7.222 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.972 -5.469 5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.448 -5.592 4.935 1.00 0.00 H new ATOM 298 N PRO A 19 -14.497 -7.401 7.047 1.00 0.00 N ATOM 299 CA PRO A 19 -15.042 -8.760 6.888 1.00 0.00 C ATOM 300 C PRO A 19 -14.616 -9.469 5.604 1.00 0.00 C ATOM 301 O PRO A 19 -14.546 -10.698 5.574 1.00 0.00 O ATOM 302 CB PRO A 19 -16.545 -8.522 6.900 1.00 0.00 C ATOM 303 CG PRO A 19 -16.702 -7.353 7.800 1.00 0.00 C ATOM 304 CD PRO A 19 -15.542 -6.452 7.486 1.00 0.00 C ATOM 0 HA PRO A 19 -14.676 -9.424 7.671 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.927 -8.313 5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.086 -9.391 7.273 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.651 -6.847 7.625 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.691 -7.658 8.846 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.789 -5.733 6.705 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.227 -5.879 8.358 1.00 0.00 H new ATOM 312 N GLU A 20 -14.325 -8.715 4.548 1.00 0.00 N ATOM 313 CA GLU A 20 -13.906 -9.326 3.296 1.00 0.00 C ATOM 314 C GLU A 20 -12.396 -9.289 3.150 1.00 0.00 C ATOM 315 O GLU A 20 -11.837 -9.545 2.084 1.00 0.00 O ATOM 316 CB GLU A 20 -14.570 -8.635 2.136 1.00 0.00 C ATOM 317 CG GLU A 20 -16.034 -8.992 2.020 1.00 0.00 C ATOM 318 CD GLU A 20 -16.596 -8.734 0.636 1.00 0.00 C ATOM 319 OE1 GLU A 20 -16.068 -9.314 -0.336 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.562 -7.951 0.524 1.00 0.00 O ATOM 0 H GLU A 20 -14.371 -7.696 4.535 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.214 -10.372 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.469 -7.556 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.058 -8.905 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.167 -10.044 2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.602 -8.416 2.751 1.00 0.00 H new ATOM 327 N VAL A 21 -11.768 -9.051 4.274 1.00 0.00 N ATOM 328 CA VAL A 21 -10.329 -9.057 4.408 1.00 0.00 C ATOM 329 C VAL A 21 -10.015 -10.179 5.380 1.00 0.00 C ATOM 330 O VAL A 21 -9.077 -10.953 5.194 1.00 0.00 O ATOM 331 CB VAL A 21 -9.781 -7.717 4.935 1.00 0.00 C ATOM 332 CG1 VAL A 21 -8.307 -7.833 5.288 1.00 0.00 C ATOM 333 CG2 VAL A 21 -9.999 -6.617 3.908 1.00 0.00 C ATOM 0 H VAL A 21 -12.255 -8.842 5.146 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.856 -9.204 3.437 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.325 -7.459 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.945 -6.874 5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.176 -8.592 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.742 -8.117 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.607 -5.676 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.481 -6.874 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.065 -6.511 3.709 1.00 0.00 H new ATOM 343 N LYS A 22 -10.887 -10.292 6.389 1.00 0.00 N ATOM 344 CA LYS A 22 -10.808 -11.343 7.377 1.00 0.00 C ATOM 345 C LYS A 22 -10.774 -12.678 6.657 1.00 0.00 C ATOM 346 O LYS A 22 -10.019 -13.584 7.010 1.00 0.00 O ATOM 347 CB LYS A 22 -12.053 -11.317 8.276 1.00 0.00 C ATOM 348 CG LYS A 22 -12.528 -9.938 8.672 1.00 0.00 C ATOM 349 CD LYS A 22 -11.444 -9.154 9.373 1.00 0.00 C ATOM 350 CE LYS A 22 -11.282 -9.603 10.818 1.00 0.00 C ATOM 351 NZ LYS A 22 -11.977 -8.691 11.768 1.00 0.00 N ATOM 0 H LYS A 22 -11.665 -9.648 6.532 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.914 -11.199 7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.865 -11.830 7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.840 -11.885 9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.853 -9.396 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.395 -10.026 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.500 -9.281 8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.685 -8.091 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.677 -10.613 10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.222 -9.646 11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.504 -9.253 12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.275 -8.100 12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.638 -8.082 11.244 1.00 0.00 H new ATOM 365 N ALA A 23 -11.624 -12.774 5.639 1.00 0.00 N ATOM 366 CA ALA A 23 -11.731 -13.979 4.838 1.00 0.00 C ATOM 367 C ALA A 23 -10.619 -14.051 3.806 1.00 0.00 C ATOM 368 O ALA A 23 -10.217 -15.135 3.383 1.00 0.00 O ATOM 369 CB ALA A 23 -13.092 -14.045 4.161 1.00 0.00 C ATOM 0 H ALA A 23 -12.251 -12.023 5.351 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.628 -14.837 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.157 -14.954 3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.875 -14.051 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.219 -13.176 3.515 1.00 0.00 H new ATOM 375 N ASN A 24 -10.122 -12.889 3.406 1.00 0.00 N ATOM 376 CA ASN A 24 -9.055 -12.821 2.425 1.00 0.00 C ATOM 377 C ASN A 24 -7.695 -12.966 3.097 1.00 0.00 C ATOM 378 O ASN A 24 -7.265 -12.094 3.852 1.00 0.00 O ATOM 379 CB ASN A 24 -9.127 -11.511 1.645 1.00 0.00 C ATOM 380 CG ASN A 24 -9.952 -11.637 0.380 1.00 0.00 C ATOM 381 OD1 ASN A 24 -9.955 -12.681 -0.273 1.00 0.00 O ATOM 382 ND2 ASN A 24 -10.659 -10.569 0.026 1.00 0.00 N ATOM 0 H ASN A 24 -10.442 -11.983 3.747 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.182 -13.647 1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.557 -10.736 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.118 -11.189 1.387 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.234 -10.594 -0.816 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.627 -9.724 0.597 1.00 0.00 H new ATOM 389 N GLU A 25 -7.029 -14.080 2.823 1.00 0.00 N ATOM 390 CA GLU A 25 -5.723 -14.359 3.403 1.00 0.00 C ATOM 391 C GLU A 25 -4.680 -13.343 2.958 1.00 0.00 C ATOM 392 O GLU A 25 -4.166 -12.568 3.760 1.00 0.00 O ATOM 393 CB GLU A 25 -5.270 -15.770 3.021 1.00 0.00 C ATOM 394 CG GLU A 25 -3.920 -16.158 3.602 1.00 0.00 C ATOM 395 CD GLU A 25 -3.861 -17.616 4.015 1.00 0.00 C ATOM 396 OE1 GLU A 25 -4.125 -18.486 3.159 1.00 0.00 O ATOM 397 OE2 GLU A 25 -3.552 -17.888 5.195 1.00 0.00 O ATOM 0 H GLU A 25 -7.375 -14.809 2.199 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.820 -14.286 4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.020 -16.486 3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.223 -15.845 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.141 -15.961 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.707 -15.530 4.467 1.00 0.00 H new ATOM 404 N PHE A 26 -4.366 -13.370 1.676 1.00 0.00 N ATOM 405 CA PHE A 26 -3.364 -12.474 1.103 1.00 0.00 C ATOM 406 C PHE A 26 -3.604 -11.019 1.482 1.00 0.00 C ATOM 407 O PHE A 26 -2.690 -10.325 1.914 1.00 0.00 O ATOM 408 CB PHE A 26 -3.356 -12.587 -0.420 1.00 0.00 C ATOM 409 CG PHE A 26 -3.128 -13.978 -0.924 1.00 0.00 C ATOM 410 CD1 PHE A 26 -1.877 -14.564 -0.833 1.00 0.00 C ATOM 411 CD2 PHE A 26 -4.164 -14.696 -1.495 1.00 0.00 C ATOM 412 CE1 PHE A 26 -1.664 -15.845 -1.301 1.00 0.00 C ATOM 413 CE2 PHE A 26 -3.959 -15.976 -1.966 1.00 0.00 C ATOM 414 CZ PHE A 26 -2.706 -16.553 -1.870 1.00 0.00 C ATOM 0 H PHE A 26 -4.792 -14.007 1.002 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.402 -12.782 1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.308 -12.223 -0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.579 -11.935 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.060 -14.013 -0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.144 -14.249 -1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.685 -16.293 -1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.776 -16.527 -2.409 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.542 -17.555 -2.239 1.00 0.00 H new ATOM 424 N LEU A 27 -4.828 -10.554 1.292 1.00 0.00 N ATOM 425 CA LEU A 27 -5.171 -9.173 1.590 1.00 0.00 C ATOM 426 C LEU A 27 -4.855 -8.812 3.037 1.00 0.00 C ATOM 427 O LEU A 27 -4.010 -7.955 3.294 1.00 0.00 O ATOM 428 CB LEU A 27 -6.641 -8.919 1.276 1.00 0.00 C ATOM 429 CG LEU A 27 -6.977 -8.920 -0.219 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.720 -10.289 -0.840 1.00 0.00 C ATOM 431 CD2 LEU A 27 -8.419 -8.490 -0.441 1.00 0.00 C ATOM 0 H LEU A 27 -5.601 -11.113 0.932 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.559 -8.531 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.243 -9.680 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.930 -7.958 1.701 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.322 -8.202 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.967 -10.259 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.669 -10.552 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.340 -11.036 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.640 -8.496 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.088 -9.181 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.564 -7.484 -0.047 1.00 0.00 H new ATOM 443 N SER A 28 -5.523 -9.462 3.986 1.00 0.00 N ATOM 444 CA SER A 28 -5.272 -9.176 5.394 1.00 0.00 C ATOM 445 C SER A 28 -3.841 -9.528 5.762 1.00 0.00 C ATOM 446 O SER A 28 -3.127 -8.709 6.332 1.00 0.00 O ATOM 447 CB SER A 28 -6.275 -9.904 6.301 1.00 0.00 C ATOM 448 OG SER A 28 -5.722 -11.098 6.831 1.00 0.00 O ATOM 0 H SER A 28 -6.229 -10.177 3.811 1.00 0.00 H new ATOM 0 HA SER A 28 -5.411 -8.106 5.551 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.574 -9.246 7.117 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.176 -10.139 5.735 1.00 0.00 H new ATOM 0 HG SER A 28 -6.383 -11.538 7.405 1.00 0.00 H new ATOM 454 N LYS A 29 -3.416 -10.733 5.411 1.00 0.00 N ATOM 455 CA LYS A 29 -2.052 -11.172 5.698 1.00 0.00 C ATOM 456 C LYS A 29 -1.044 -10.144 5.188 1.00 0.00 C ATOM 457 O LYS A 29 -0.137 -9.740 5.916 1.00 0.00 O ATOM 458 CB LYS A 29 -1.776 -12.558 5.096 1.00 0.00 C ATOM 459 CG LYS A 29 -1.218 -12.526 3.687 1.00 0.00 C ATOM 460 CD LYS A 29 -1.023 -13.929 3.135 1.00 0.00 C ATOM 461 CE LYS A 29 -0.023 -14.718 3.965 1.00 0.00 C ATOM 462 NZ LYS A 29 1.347 -14.141 3.880 1.00 0.00 N ATOM 0 H LYS A 29 -3.991 -11.424 4.929 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.942 -11.255 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.074 -13.088 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.703 -13.132 5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.895 -11.969 3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.265 -11.996 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.979 -14.452 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.676 -13.871 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.347 -14.733 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.003 -15.753 3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.025 -14.788 4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.607 -14.008 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.368 -13.223 4.368 1.00 0.00 H new ATOM 476 N LEU A 30 -1.219 -9.698 3.943 1.00 0.00 N ATOM 477 CA LEU A 30 -0.330 -8.694 3.377 1.00 0.00 C ATOM 478 C LEU A 30 -0.432 -7.420 4.189 1.00 0.00 C ATOM 479 O LEU A 30 0.575 -6.808 4.538 1.00 0.00 O ATOM 480 CB LEU A 30 -0.678 -8.410 1.919 1.00 0.00 C ATOM 481 CG LEU A 30 0.056 -9.274 0.890 1.00 0.00 C ATOM 482 CD1 LEU A 30 0.972 -8.416 0.034 1.00 0.00 C ATOM 483 CD2 LEU A 30 0.847 -10.396 1.556 1.00 0.00 C ATOM 0 H LEU A 30 -1.960 -10.014 3.317 1.00 0.00 H new ATOM 0 HA LEU A 30 0.691 -9.074 3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.751 -8.548 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.463 -7.362 1.709 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.697 -9.736 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.486 -9.045 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.382 -7.665 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.706 -7.921 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.354 -10.987 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.586 -9.968 2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.167 -11.036 2.118 1.00 0.00 H new ATOM 495 N VAL A 31 -1.664 -7.050 4.514 1.00 0.00 N ATOM 496 CA VAL A 31 -1.918 -5.870 5.321 1.00 0.00 C ATOM 497 C VAL A 31 -1.214 -6.029 6.661 1.00 0.00 C ATOM 498 O VAL A 31 -0.694 -5.070 7.226 1.00 0.00 O ATOM 499 CB VAL A 31 -3.431 -5.666 5.547 1.00 0.00 C ATOM 500 CG1 VAL A 31 -3.698 -4.542 6.539 1.00 0.00 C ATOM 501 CG2 VAL A 31 -4.136 -5.394 4.226 1.00 0.00 C ATOM 0 H VAL A 31 -2.504 -7.554 4.229 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.536 -4.995 4.796 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.832 -6.586 5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.773 -4.425 6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.235 -4.784 7.496 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.277 -3.612 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.202 -5.253 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.722 -4.494 3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.990 -6.240 3.555 1.00 0.00 H new ATOM 511 N VAL A 32 -1.195 -7.266 7.144 1.00 0.00 N ATOM 512 CA VAL A 32 -0.549 -7.599 8.400 1.00 0.00 C ATOM 513 C VAL A 32 0.952 -7.435 8.277 1.00 0.00 C ATOM 514 O VAL A 32 1.547 -6.538 8.877 1.00 0.00 O ATOM 515 CB VAL A 32 -0.862 -9.043 8.808 1.00 0.00 C ATOM 516 CG1 VAL A 32 -0.310 -9.348 10.191 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.361 -9.304 8.745 1.00 0.00 C ATOM 0 H VAL A 32 -1.627 -8.062 6.674 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.932 -6.921 9.163 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.372 -9.712 8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.545 -10.378 10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.771 -9.211 10.189 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.760 -8.673 10.919 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.564 -10.334 9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.877 -8.625 9.424 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.717 -9.140 7.728 1.00 0.00 H new ATOM 527 N GLN A 33 1.556 -8.300 7.475 1.00 0.00 N ATOM 528 CA GLN A 33 2.992 -8.252 7.238 1.00 0.00 C ATOM 529 C GLN A 33 3.398 -6.828 6.900 1.00 0.00 C ATOM 530 O GLN A 33 4.345 -6.281 7.462 1.00 0.00 O ATOM 531 CB GLN A 33 3.387 -9.222 6.110 1.00 0.00 C ATOM 532 CG GLN A 33 3.830 -8.546 4.818 1.00 0.00 C ATOM 533 CD GLN A 33 4.284 -9.540 3.768 1.00 0.00 C ATOM 534 OE1 GLN A 33 3.820 -9.514 2.628 1.00 0.00 O ATOM 535 NE2 GLN A 33 5.199 -10.425 4.148 1.00 0.00 N ATOM 0 H GLN A 33 1.072 -9.046 6.976 1.00 0.00 H new ATOM 0 HA GLN A 33 3.518 -8.564 8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.195 -9.862 6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.538 -9.871 5.893 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.006 -7.954 4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.644 -7.854 5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.557 -10.411 5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.544 -11.119 3.485 1.00 0.00 H new ATOM 544 N CYS A 34 2.640 -6.236 5.992 1.00 0.00 N ATOM 545 CA CYS A 34 2.871 -4.865 5.573 1.00 0.00 C ATOM 546 C CYS A 34 2.740 -3.933 6.771 1.00 0.00 C ATOM 547 O CYS A 34 3.565 -3.045 6.977 1.00 0.00 O ATOM 548 CB CYS A 34 1.866 -4.466 4.487 1.00 0.00 C ATOM 549 SG CYS A 34 1.958 -2.732 3.987 1.00 0.00 S ATOM 0 H CYS A 34 1.853 -6.689 5.528 1.00 0.00 H new ATOM 0 HA CYS A 34 3.878 -4.784 5.164 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.028 -5.093 3.611 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.859 -4.675 4.847 1.00 0.00 H new ATOM 0 HG CYS A 34 0.943 -2.445 3.228 1.00 0.00 H new ATOM 555 N ALA A 35 1.695 -4.152 7.568 1.00 0.00 N ATOM 556 CA ALA A 35 1.457 -3.336 8.753 1.00 0.00 C ATOM 557 C ALA A 35 2.637 -3.407 9.710 1.00 0.00 C ATOM 558 O ALA A 35 2.882 -2.484 10.486 1.00 0.00 O ATOM 559 CB ALA A 35 0.178 -3.778 9.454 1.00 0.00 C ATOM 0 H ALA A 35 1.003 -4.885 7.414 1.00 0.00 H new ATOM 0 HA ALA A 35 1.342 -2.300 8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.014 -3.159 10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.666 -3.670 8.773 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.270 -4.822 9.755 1.00 0.00 H new ATOM 565 N GLY A 36 3.367 -4.511 9.643 1.00 0.00 N ATOM 566 CA GLY A 36 4.520 -4.690 10.502 1.00 0.00 C ATOM 567 C GLY A 36 5.741 -3.967 9.981 1.00 0.00 C ATOM 568 O GLY A 36 6.586 -3.524 10.759 1.00 0.00 O ATOM 0 H GLY A 36 3.181 -5.287 9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.285 -4.327 11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.741 -5.753 10.593 1.00 0.00 H new ATOM 572 N LYS A 37 5.832 -3.833 8.661 1.00 0.00 N ATOM 573 CA LYS A 37 6.951 -3.144 8.051 1.00 0.00 C ATOM 574 C LYS A 37 6.742 -1.636 8.106 1.00 0.00 C ATOM 575 O LYS A 37 7.653 -0.864 7.808 1.00 0.00 O ATOM 576 CB LYS A 37 7.141 -3.587 6.598 1.00 0.00 C ATOM 577 CG LYS A 37 7.012 -5.088 6.385 1.00 0.00 C ATOM 578 CD LYS A 37 7.896 -5.875 7.344 1.00 0.00 C ATOM 579 CE LYS A 37 7.068 -6.737 8.284 1.00 0.00 C ATOM 580 NZ LYS A 37 7.910 -7.712 9.031 1.00 0.00 N ATOM 0 H LYS A 37 5.144 -4.193 8.000 1.00 0.00 H new ATOM 0 HA LYS A 37 7.849 -3.401 8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.406 -3.078 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.125 -3.266 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.973 -5.386 6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.282 -5.334 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.579 -6.507 6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.508 -5.186 7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.539 -6.098 8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.311 -7.274 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.308 -8.280 9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.395 -8.339 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.616 -7.199 9.597 1.00 0.00 H new ATOM 594 N LEU A 38 5.528 -1.220 8.464 1.00 0.00 N ATOM 595 CA LEU A 38 5.200 0.187 8.527 1.00 0.00 C ATOM 596 C LEU A 38 5.505 0.783 9.892 1.00 0.00 C ATOM 597 O LEU A 38 6.074 1.864 9.974 1.00 0.00 O ATOM 598 CB LEU A 38 3.734 0.367 8.177 1.00 0.00 C ATOM 599 CG LEU A 38 3.474 0.696 6.719 1.00 0.00 C ATOM 600 CD1 LEU A 38 3.148 -0.572 5.949 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.359 1.726 6.607 1.00 0.00 C ATOM 0 H LEU A 38 4.761 -1.845 8.713 1.00 0.00 H new ATOM 0 HA LEU A 38 5.821 0.720 7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.197 -0.547 8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.320 1.163 8.796 1.00 0.00 H new ATOM 0 HG LEU A 38 4.372 1.130 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.963 -0.325 4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.988 -1.264 6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.259 -1.038 6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.180 1.956 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.448 1.326 7.051 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.650 2.636 7.133 1.00 0.00 H new ATOM 613 N THR A 39 5.137 0.089 10.966 1.00 0.00 N ATOM 614 CA THR A 39 5.398 0.606 12.309 1.00 0.00 C ATOM 615 C THR A 39 6.823 1.124 12.424 1.00 0.00 C ATOM 616 O THR A 39 7.105 2.021 13.218 1.00 0.00 O ATOM 617 CB THR A 39 5.092 -0.434 13.377 1.00 0.00 C ATOM 618 OG1 THR A 39 4.715 -1.671 12.797 1.00 0.00 O ATOM 619 CG2 THR A 39 3.981 0.014 14.292 1.00 0.00 C ATOM 0 H THR A 39 4.666 -0.815 10.937 1.00 0.00 H new ATOM 0 HA THR A 39 4.725 1.446 12.479 1.00 0.00 H new ATOM 0 HB THR A 39 6.009 -0.557 13.953 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.526 -2.321 13.506 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.793 -0.756 15.040 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.270 0.940 14.789 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.075 0.183 13.709 1.00 0.00 H new ATOM 627 N ALA A 40 7.705 0.600 11.585 1.00 0.00 N ATOM 628 CA ALA A 40 9.074 1.063 11.556 1.00 0.00 C ATOM 629 C ALA A 40 9.227 2.138 10.490 1.00 0.00 C ATOM 630 O ALA A 40 10.293 2.284 9.894 1.00 0.00 O ATOM 631 CB ALA A 40 10.044 -0.070 11.280 1.00 0.00 C ATOM 0 H ALA A 40 7.493 -0.143 10.920 1.00 0.00 H new ATOM 0 HA ALA A 40 9.310 1.474 12.538 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.062 0.318 11.266 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.954 -0.825 12.061 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.814 -0.519 10.314 1.00 0.00 H new ATOM 637 N SER A 41 8.148 2.883 10.239 1.00 0.00 N ATOM 638 CA SER A 41 8.167 3.927 9.230 1.00 0.00 C ATOM 639 C SER A 41 9.358 4.848 9.434 1.00 0.00 C ATOM 640 O SER A 41 9.819 5.489 8.489 1.00 0.00 O ATOM 641 CB SER A 41 6.853 4.704 9.232 1.00 0.00 C ATOM 642 OG SER A 41 7.043 6.051 8.836 1.00 0.00 O ATOM 0 H SER A 41 7.256 2.778 10.723 1.00 0.00 H new ATOM 0 HA SER A 41 8.273 3.460 8.251 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.144 4.223 8.558 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.414 4.676 10.229 1.00 0.00 H new ATOM 0 HG SER A 41 6.182 6.520 8.847 1.00 0.00 H new ATOM 648 N ASN A 42 9.906 4.863 10.654 1.00 0.00 N ATOM 649 CA ASN A 42 11.099 5.651 10.928 1.00 0.00 C ATOM 650 C ASN A 42 12.119 5.344 9.835 1.00 0.00 C ATOM 651 O ASN A 42 12.909 6.196 9.431 1.00 0.00 O ATOM 652 CB ASN A 42 11.667 5.301 12.302 1.00 0.00 C ATOM 653 CG ASN A 42 12.639 6.345 12.814 1.00 0.00 C ATOM 654 OD1 ASN A 42 12.630 7.492 12.366 1.00 0.00 O ATOM 655 ND2 ASN A 42 13.488 5.952 13.757 1.00 0.00 N ATOM 0 H ASN A 42 9.544 4.344 11.454 1.00 0.00 H new ATOM 0 HA ASN A 42 10.858 6.714 10.933 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.848 5.193 13.013 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.171 4.336 12.248 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.167 6.611 14.138 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.461 4.992 14.100 1.00 0.00 H new ATOM 662 N SER A 43 12.025 4.113 9.322 1.00 0.00 N ATOM 663 CA SER A 43 12.841 3.654 8.240 1.00 0.00 C ATOM 664 C SER A 43 12.082 3.947 6.957 1.00 0.00 C ATOM 665 O SER A 43 11.494 3.050 6.352 1.00 0.00 O ATOM 666 CB SER A 43 13.118 2.152 8.363 1.00 0.00 C ATOM 667 OG SER A 43 13.564 1.821 9.666 1.00 0.00 O ATOM 0 H SER A 43 11.366 3.414 9.664 1.00 0.00 H new ATOM 0 HA SER A 43 13.806 4.160 8.249 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.212 1.592 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.870 1.857 7.632 1.00 0.00 H new ATOM 0 HG SER A 43 13.732 0.857 9.719 1.00 0.00 H new ATOM 673 N GLU A 44 12.058 5.218 6.570 1.00 0.00 N ATOM 674 CA GLU A 44 11.324 5.636 5.385 1.00 0.00 C ATOM 675 C GLU A 44 11.787 4.859 4.174 1.00 0.00 C ATOM 676 O GLU A 44 11.052 4.684 3.207 1.00 0.00 O ATOM 677 CB GLU A 44 11.534 7.124 5.136 1.00 0.00 C ATOM 678 CG GLU A 44 12.982 7.499 4.869 1.00 0.00 C ATOM 679 CD GLU A 44 13.324 8.891 5.365 1.00 0.00 C ATOM 680 OE1 GLU A 44 12.391 9.701 5.549 1.00 0.00 O ATOM 681 OE2 GLU A 44 14.524 9.170 5.570 1.00 0.00 O ATOM 0 H GLU A 44 12.538 5.974 7.059 1.00 0.00 H new ATOM 0 HA GLU A 44 10.265 5.440 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.925 7.431 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.177 7.682 6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.637 6.774 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.177 7.440 3.798 1.00 0.00 H new ATOM 688 N ASN A 45 13.003 4.371 4.251 1.00 0.00 N ATOM 689 CA ASN A 45 13.560 3.583 3.168 1.00 0.00 C ATOM 690 C ASN A 45 12.757 2.304 3.007 1.00 0.00 C ATOM 691 O ASN A 45 12.514 1.835 1.900 1.00 0.00 O ATOM 692 CB ASN A 45 15.032 3.262 3.435 1.00 0.00 C ATOM 693 CG ASN A 45 15.964 4.012 2.503 1.00 0.00 C ATOM 694 OD1 ASN A 45 16.203 5.207 2.674 1.00 0.00 O ATOM 695 ND2 ASN A 45 16.495 3.311 1.508 1.00 0.00 N ATOM 0 H ASN A 45 13.626 4.503 5.048 1.00 0.00 H new ATOM 0 HA ASN A 45 13.504 4.159 2.245 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.275 3.514 4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.194 2.190 3.322 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.129 3.762 0.848 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.269 2.322 1.404 1.00 0.00 H new ATOM 702 N SER A 46 12.346 1.767 4.137 1.00 0.00 N ATOM 703 CA SER A 46 11.559 0.549 4.188 1.00 0.00 C ATOM 704 C SER A 46 10.082 0.823 3.928 1.00 0.00 C ATOM 705 O SER A 46 9.361 -0.029 3.417 1.00 0.00 O ATOM 706 CB SER A 46 11.738 -0.111 5.549 1.00 0.00 C ATOM 707 OG SER A 46 10.737 -1.085 5.786 1.00 0.00 O ATOM 0 H SER A 46 12.549 2.165 5.054 1.00 0.00 H new ATOM 0 HA SER A 46 11.912 -0.120 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.722 -0.577 5.602 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.702 0.648 6.331 1.00 0.00 H new ATOM 0 HG SER A 46 10.879 -1.492 6.666 1.00 0.00 H new ATOM 713 N TYR A 47 9.655 2.031 4.260 1.00 0.00 N ATOM 714 CA TYR A 47 8.301 2.463 4.053 1.00 0.00 C ATOM 715 C TYR A 47 8.191 2.920 2.617 1.00 0.00 C ATOM 716 O TYR A 47 7.106 3.054 2.079 1.00 0.00 O ATOM 717 CB TYR A 47 7.936 3.519 5.108 1.00 0.00 C ATOM 718 CG TYR A 47 7.363 4.818 4.607 1.00 0.00 C ATOM 719 CD1 TYR A 47 8.168 5.746 3.980 1.00 0.00 C ATOM 720 CD2 TYR A 47 6.029 5.131 4.815 1.00 0.00 C ATOM 721 CE1 TYR A 47 7.664 6.962 3.567 1.00 0.00 C ATOM 722 CE2 TYR A 47 5.508 6.342 4.397 1.00 0.00 C ATOM 723 CZ TYR A 47 6.333 7.257 3.776 1.00 0.00 C ATOM 724 OH TYR A 47 5.832 8.471 3.374 1.00 0.00 O ATOM 0 H TYR A 47 10.253 2.740 4.685 1.00 0.00 H new ATOM 0 HA TYR A 47 7.570 1.667 4.191 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.217 3.075 5.797 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.833 3.745 5.685 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.210 5.517 3.810 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.387 4.418 5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.309 7.680 3.082 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.464 6.569 4.555 1.00 0.00 H new ATOM 0 HH TYR A 47 6.162 9.175 3.971 1.00 0.00 H new ATOM 734 N ILE A 48 9.372 3.095 2.009 1.00 0.00 N ATOM 735 CA ILE A 48 9.525 3.467 0.614 1.00 0.00 C ATOM 736 C ILE A 48 9.436 2.204 -0.214 1.00 0.00 C ATOM 737 O ILE A 48 8.731 2.141 -1.220 1.00 0.00 O ATOM 738 CB ILE A 48 10.895 4.183 0.414 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.769 5.676 0.738 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.469 3.982 -0.981 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.404 6.052 1.258 1.00 0.00 C ATOM 0 H ILE A 48 10.262 2.977 2.493 1.00 0.00 H new ATOM 0 HA ILE A 48 8.743 4.159 0.302 1.00 0.00 H new ATOM 0 HB ILE A 48 11.598 3.723 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.521 5.946 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.983 6.256 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.423 4.503 -1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.621 2.918 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.775 4.381 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.377 7.121 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.650 5.811 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.197 5.496 2.173 1.00 0.00 H new ATOM 753 N GLU A 49 10.116 1.178 0.267 1.00 0.00 N ATOM 754 CA GLU A 49 10.075 -0.113 -0.373 1.00 0.00 C ATOM 755 C GLU A 49 8.710 -0.702 -0.128 1.00 0.00 C ATOM 756 O GLU A 49 7.996 -1.057 -1.063 1.00 0.00 O ATOM 757 CB GLU A 49 11.181 -1.019 0.157 1.00 0.00 C ATOM 758 CG GLU A 49 12.536 -0.335 0.198 1.00 0.00 C ATOM 759 CD GLU A 49 13.343 -0.707 1.427 1.00 0.00 C ATOM 760 OE1 GLU A 49 13.033 -1.745 2.049 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.284 0.040 1.766 1.00 0.00 O ATOM 0 H GLU A 49 10.702 1.220 1.100 1.00 0.00 H new ATOM 0 HA GLU A 49 10.246 -0.012 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.919 -1.355 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.247 -1.908 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.100 -0.601 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.394 0.745 0.175 1.00 0.00 H new ATOM 768 N VAL A 50 8.328 -0.740 1.147 1.00 0.00 N ATOM 769 CA VAL A 50 7.016 -1.219 1.520 1.00 0.00 C ATOM 770 C VAL A 50 5.971 -0.355 0.823 1.00 0.00 C ATOM 771 O VAL A 50 4.876 -0.816 0.496 1.00 0.00 O ATOM 772 CB VAL A 50 6.794 -1.187 3.048 1.00 0.00 C ATOM 773 CG1 VAL A 50 5.356 -1.557 3.395 1.00 0.00 C ATOM 774 CG2 VAL A 50 7.768 -2.125 3.743 1.00 0.00 C ATOM 0 H VAL A 50 8.912 -0.444 1.930 1.00 0.00 H new ATOM 0 HA VAL A 50 6.927 -2.260 1.209 1.00 0.00 H new ATOM 0 HB VAL A 50 6.977 -0.172 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.224 -1.528 4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.674 -0.847 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.141 -2.561 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.600 -2.092 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.614 -3.142 3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.790 -1.814 3.526 1.00 0.00 H new ATOM 784 N ILE A 51 6.349 0.898 0.552 1.00 0.00 N ATOM 785 CA ILE A 51 5.476 1.813 -0.149 1.00 0.00 C ATOM 786 C ILE A 51 5.333 1.344 -1.591 1.00 0.00 C ATOM 787 O ILE A 51 4.274 1.493 -2.210 1.00 0.00 O ATOM 788 CB ILE A 51 5.996 3.273 -0.089 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.043 4.129 0.751 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.117 3.869 -1.486 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.590 4.039 0.311 1.00 0.00 C ATOM 0 H ILE A 51 7.254 1.291 0.811 1.00 0.00 H new ATOM 0 HA ILE A 51 4.501 1.812 0.339 1.00 0.00 H new ATOM 0 HB ILE A 51 6.985 3.263 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.117 3.822 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.364 5.169 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.484 4.893 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.814 3.274 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.140 3.867 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.976 4.671 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.501 4.375 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.250 3.006 0.387 1.00 0.00 H new ATOM 803 N SER A 52 6.403 0.738 -2.113 1.00 0.00 N ATOM 804 CA SER A 52 6.386 0.216 -3.461 1.00 0.00 C ATOM 805 C SER A 52 5.508 -1.016 -3.493 1.00 0.00 C ATOM 806 O SER A 52 4.752 -1.243 -4.437 1.00 0.00 O ATOM 807 CB SER A 52 7.801 -0.131 -3.920 1.00 0.00 C ATOM 808 OG SER A 52 7.843 -1.385 -4.581 1.00 0.00 O ATOM 0 H SER A 52 7.283 0.602 -1.616 1.00 0.00 H new ATOM 0 HA SER A 52 5.989 0.971 -4.139 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.168 0.647 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.469 -0.151 -3.059 1.00 0.00 H new ATOM 0 HG SER A 52 8.690 -1.833 -4.378 1.00 0.00 H new ATOM 814 N LEU A 53 5.613 -1.798 -2.428 1.00 0.00 N ATOM 815 CA LEU A 53 4.831 -3.007 -2.286 1.00 0.00 C ATOM 816 C LEU A 53 3.370 -2.656 -2.050 1.00 0.00 C ATOM 817 O LEU A 53 2.495 -3.502 -2.114 1.00 0.00 O ATOM 818 CB LEU A 53 5.372 -3.870 -1.146 1.00 0.00 C ATOM 819 CG LEU A 53 6.864 -3.693 -0.880 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.348 -4.652 0.198 1.00 0.00 C ATOM 821 CD2 LEU A 53 7.660 -3.865 -2.164 1.00 0.00 C ATOM 0 H LEU A 53 6.240 -1.610 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 53 4.907 -3.583 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.822 -3.635 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.177 -4.918 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 53 7.025 -2.679 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.415 -4.503 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.805 -4.463 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.172 -5.679 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.722 -3.735 -1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.489 -4.863 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.341 -3.120 -2.893 1.00 0.00 H new ATOM 833 N LEU A 54 3.098 -1.400 -1.765 1.00 0.00 N ATOM 834 CA LEU A 54 1.734 -0.983 -1.545 1.00 0.00 C ATOM 835 C LEU A 54 1.005 -0.782 -2.868 1.00 0.00 C ATOM 836 O LEU A 54 0.002 -1.439 -3.140 1.00 0.00 O ATOM 837 CB LEU A 54 1.699 0.249 -0.655 1.00 0.00 C ATOM 838 CG LEU A 54 2.013 -0.035 0.825 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.865 0.429 1.706 1.00 0.00 C ATOM 840 CD2 LEU A 54 2.301 -1.528 1.073 1.00 0.00 C ATOM 0 H LEU A 54 3.795 -0.660 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 54 1.198 -1.773 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.415 0.978 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.712 0.706 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 54 2.913 0.523 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.101 0.222 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.715 1.500 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.045 -0.102 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.518 -1.686 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.430 -2.119 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.159 -1.837 0.476 1.00 0.00 H new ATOM 852 N SER A 55 1.526 0.112 -3.700 1.00 0.00 N ATOM 853 CA SER A 55 0.920 0.375 -5.002 1.00 0.00 C ATOM 854 C SER A 55 1.190 -0.763 -5.990 1.00 0.00 C ATOM 855 O SER A 55 0.624 -0.794 -7.079 1.00 0.00 O ATOM 856 CB SER A 55 1.434 1.698 -5.566 1.00 0.00 C ATOM 857 OG SER A 55 1.362 1.720 -6.982 1.00 0.00 O ATOM 0 H SER A 55 2.360 0.664 -3.500 1.00 0.00 H new ATOM 0 HA SER A 55 -0.159 0.441 -4.859 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.848 2.521 -5.158 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.466 1.854 -5.250 1.00 0.00 H new ATOM 0 HG SER A 55 0.738 1.029 -7.289 1.00 0.00 H new ATOM 863 N ARG A 56 2.061 -1.692 -5.611 1.00 0.00 N ATOM 864 CA ARG A 56 2.393 -2.825 -6.475 1.00 0.00 C ATOM 865 C ARG A 56 2.369 -4.147 -5.699 1.00 0.00 C ATOM 866 O ARG A 56 2.419 -5.225 -6.289 1.00 0.00 O ATOM 867 CB ARG A 56 3.773 -2.609 -7.111 1.00 0.00 C ATOM 868 CG ARG A 56 4.377 -3.863 -7.729 1.00 0.00 C ATOM 869 CD ARG A 56 5.206 -4.637 -6.716 1.00 0.00 C ATOM 870 NE ARG A 56 6.432 -5.169 -7.303 1.00 0.00 N ATOM 871 CZ ARG A 56 7.336 -5.870 -6.624 1.00 0.00 C ATOM 872 NH1 ARG A 56 7.158 -6.122 -5.332 1.00 0.00 N ATOM 873 NH2 ARG A 56 8.421 -6.322 -7.237 1.00 0.00 N ATOM 0 H ARG A 56 2.549 -1.686 -4.716 1.00 0.00 H new ATOM 0 HA ARG A 56 1.638 -2.886 -7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.690 -1.842 -7.881 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.455 -2.227 -6.352 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.581 -4.501 -8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.002 -3.587 -8.578 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.458 -3.985 -5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.612 -5.457 -6.313 1.00 0.00 H new ATOM 0 HE ARG A 56 6.606 -4.993 -8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.325 -5.777 -4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.855 -6.660 -4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.563 -6.132 -8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.114 -6.859 -6.717 1.00 0.00 H new ATOM 887 N GLY A 57 2.294 -4.056 -4.378 1.00 0.00 N ATOM 888 CA GLY A 57 2.277 -5.241 -3.540 1.00 0.00 C ATOM 889 C GLY A 57 0.881 -5.737 -3.246 1.00 0.00 C ATOM 890 O GLY A 57 0.660 -6.940 -3.122 1.00 0.00 O ATOM 0 H GLY A 57 2.244 -3.175 -3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.842 -6.034 -4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.784 -5.022 -2.600 1.00 0.00 H new ATOM 894 N ILE A 58 -0.069 -4.818 -3.116 1.00 0.00 N ATOM 895 CA ILE A 58 -1.433 -5.186 -2.809 1.00 0.00 C ATOM 896 C ILE A 58 -2.119 -5.913 -3.969 1.00 0.00 C ATOM 897 O ILE A 58 -3.345 -5.882 -4.089 1.00 0.00 O ATOM 898 CB ILE A 58 -2.261 -3.947 -2.381 1.00 0.00 C ATOM 899 CG1 ILE A 58 -2.784 -3.158 -3.586 1.00 0.00 C ATOM 900 CG2 ILE A 58 -1.446 -3.027 -1.477 1.00 0.00 C ATOM 901 CD1 ILE A 58 -4.198 -2.658 -3.395 1.00 0.00 C ATOM 0 H ILE A 58 0.087 -3.815 -3.220 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.387 -5.884 -1.973 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.120 -4.324 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.126 -2.309 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.745 -3.791 -4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.052 -2.167 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.144 -3.571 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.559 -2.686 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.512 -2.107 -4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.866 -3.505 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.237 -2.001 -2.526 1.00 0.00 H new ATOM 1109 N PRO A 70 -12.954 -4.953 -0.571 1.00 0.00 N ATOM 1110 CA PRO A 70 -13.792 -4.350 0.459 1.00 0.00 C ATOM 1111 C PRO A 70 -13.475 -2.878 0.706 1.00 0.00 C ATOM 1112 O PRO A 70 -13.446 -2.426 1.851 1.00 0.00 O ATOM 1113 CB PRO A 70 -13.475 -5.179 1.717 1.00 0.00 C ATOM 1114 CG PRO A 70 -12.456 -6.196 1.300 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.839 -5.684 0.030 1.00 0.00 C ATOM 0 HA PRO A 70 -14.843 -4.364 0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -13.088 -4.544 2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.373 -5.662 2.101 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.699 -6.327 2.074 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.921 -7.169 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.983 -5.037 0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.489 -6.494 -0.610 1.00 0.00 H new ATOM 1123 N SER A 71 -13.253 -2.131 -0.368 1.00 0.00 N ATOM 1124 CA SER A 71 -12.952 -0.705 -0.270 1.00 0.00 C ATOM 1125 C SER A 71 -11.578 -0.440 0.352 1.00 0.00 C ATOM 1126 O SER A 71 -10.805 0.363 -0.168 1.00 0.00 O ATOM 1127 CB SER A 71 -14.034 0.007 0.541 1.00 0.00 C ATOM 1128 OG SER A 71 -15.224 -0.762 0.591 1.00 0.00 O ATOM 0 H SER A 71 -13.276 -2.490 -1.323 1.00 0.00 H new ATOM 0 HA SER A 71 -12.932 -0.311 -1.286 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.673 0.190 1.553 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.245 0.980 0.097 1.00 0.00 H new ATOM 0 HG SER A 71 -15.900 -0.285 1.117 1.00 0.00 H new ATOM 1134 N SER A 72 -11.278 -1.103 1.471 1.00 0.00 N ATOM 1135 CA SER A 72 -10.000 -0.918 2.162 1.00 0.00 C ATOM 1136 C SER A 72 -8.792 -1.349 1.318 1.00 0.00 C ATOM 1137 O SER A 72 -7.710 -1.578 1.854 1.00 0.00 O ATOM 1138 CB SER A 72 -10.000 -1.672 3.487 1.00 0.00 C ATOM 1139 OG SER A 72 -9.951 -3.073 3.277 1.00 0.00 O ATOM 0 H SER A 72 -11.903 -1.773 1.918 1.00 0.00 H new ATOM 0 HA SER A 72 -9.898 0.152 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.144 -1.361 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.895 -1.417 4.054 1.00 0.00 H new ATOM 0 HG SER A 72 -10.817 -3.469 3.509 1.00 0.00 H new ATOM 1145 N MET A 73 -8.969 -1.437 0.008 1.00 0.00 N ATOM 1146 CA MET A 73 -7.883 -1.807 -0.893 1.00 0.00 C ATOM 1147 C MET A 73 -7.759 -0.763 -1.999 1.00 0.00 C ATOM 1148 O MET A 73 -6.688 -0.562 -2.571 1.00 0.00 O ATOM 1149 CB MET A 73 -8.121 -3.195 -1.488 1.00 0.00 C ATOM 1150 CG MET A 73 -7.546 -4.320 -0.641 1.00 0.00 C ATOM 1151 SD MET A 73 -5.777 -4.553 -0.900 1.00 0.00 S ATOM 1152 CE MET A 73 -5.103 -3.368 0.263 1.00 0.00 C ATOM 0 H MET A 73 -9.858 -1.257 -0.458 1.00 0.00 H new ATOM 0 HA MET A 73 -6.951 -1.841 -0.328 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.193 -3.352 -1.609 1.00 0.00 H new ATOM 0 HB3 MET A 73 -7.679 -3.237 -2.483 1.00 0.00 H new ATOM 0 HG2 MET A 73 -7.730 -4.107 0.412 1.00 0.00 H new ATOM 0 HG3 MET A 73 -8.068 -5.248 -0.874 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.199 -3.776 0.715 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.862 -2.442 -0.259 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.838 -3.164 1.042 1.00 0.00 H new ATOM 1162 N LEU A 74 -8.872 -0.089 -2.272 1.00 0.00 N ATOM 1163 CA LEU A 74 -8.935 0.959 -3.278 1.00 0.00 C ATOM 1164 C LEU A 74 -8.453 2.277 -2.702 1.00 0.00 C ATOM 1165 O LEU A 74 -8.026 3.162 -3.432 1.00 0.00 O ATOM 1166 CB LEU A 74 -10.378 1.117 -3.747 1.00 0.00 C ATOM 1167 CG LEU A 74 -10.724 2.471 -4.372 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -9.874 2.724 -5.606 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -12.205 2.538 -4.710 1.00 0.00 C ATOM 0 H LEU A 74 -9.759 -0.258 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.294 0.683 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.592 0.335 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.038 0.950 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.505 3.253 -3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.135 3.691 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.820 2.723 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.056 1.940 -6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.434 3.507 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.453 1.747 -5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.792 2.407 -3.801 1.00 0.00 H new ATOM 1181 N THR A 75 -8.555 2.407 -1.390 1.00 0.00 N ATOM 1182 CA THR A 75 -8.156 3.621 -0.711 1.00 0.00 C ATOM 1183 C THR A 75 -6.654 3.642 -0.479 1.00 0.00 C ATOM 1184 O THR A 75 -5.982 4.637 -0.749 1.00 0.00 O ATOM 1185 CB THR A 75 -8.920 3.742 0.618 1.00 0.00 C ATOM 1186 OG1 THR A 75 -9.472 5.038 0.768 1.00 0.00 O ATOM 1187 CG2 THR A 75 -8.081 3.457 1.847 1.00 0.00 C ATOM 0 H THR A 75 -8.914 1.679 -0.773 1.00 0.00 H new ATOM 0 HA THR A 75 -8.403 4.477 -1.339 1.00 0.00 H new ATOM 0 HB THR A 75 -9.697 2.980 0.556 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.955 5.091 1.619 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.696 3.564 2.740 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.692 2.440 1.794 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.250 4.161 1.892 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.135 2.539 0.035 1.00 0.00 N ATOM 1196 CA ILE A 76 -4.719 2.428 0.316 1.00 0.00 C ATOM 1197 C ILE A 76 -3.901 2.591 -0.962 1.00 0.00 C ATOM 1198 O ILE A 76 -3.253 3.615 -1.155 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.408 1.084 1.007 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -4.899 1.134 2.459 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -2.923 0.754 0.940 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.235 0.453 2.670 1.00 0.00 C ATOM 0 H ILE A 76 -6.678 1.707 0.266 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.438 3.231 0.998 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.934 0.288 0.480 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.155 0.664 3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.978 2.175 2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.739 -0.199 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.612 0.686 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.353 1.538 1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.520 0.527 3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.992 0.938 2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.156 -0.597 2.389 1.00 0.00 H new ATOM 1214 N TYR A 77 -3.959 1.595 -1.843 1.00 0.00 N ATOM 1215 CA TYR A 77 -3.245 1.652 -3.121 1.00 0.00 C ATOM 1216 C TYR A 77 -3.384 3.036 -3.748 1.00 0.00 C ATOM 1217 O TYR A 77 -2.494 3.508 -4.454 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.819 0.603 -4.065 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.229 0.626 -5.455 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.400 1.723 -6.291 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -2.515 -0.458 -5.933 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -2.875 1.734 -7.570 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -1.982 -0.456 -7.208 1.00 0.00 C ATOM 1224 CZ TYR A 77 -2.167 0.642 -8.024 1.00 0.00 C ATOM 1225 OH TYR A 77 -1.640 0.647 -9.296 1.00 0.00 O ATOM 0 H TYR A 77 -4.492 0.738 -1.697 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.188 1.453 -2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.659 -0.384 -3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.897 0.748 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.952 2.581 -5.936 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.372 -1.321 -5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.019 2.593 -8.209 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.424 -1.309 -7.564 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.170 -0.197 -9.459 1.00 0.00 H new ATOM 1235 N THR A 78 -4.524 3.669 -3.496 1.00 0.00 N ATOM 1236 CA THR A 78 -4.813 4.988 -4.040 1.00 0.00 C ATOM 1237 C THR A 78 -4.163 6.091 -3.214 1.00 0.00 C ATOM 1238 O THR A 78 -3.774 7.119 -3.754 1.00 0.00 O ATOM 1239 CB THR A 78 -6.333 5.190 -4.106 1.00 0.00 C ATOM 1240 OG1 THR A 78 -6.750 5.440 -5.435 1.00 0.00 O ATOM 1241 CG2 THR A 78 -6.849 6.320 -3.244 1.00 0.00 C ATOM 0 H THR A 78 -5.268 3.285 -2.913 1.00 0.00 H new ATOM 0 HA THR A 78 -4.393 5.046 -5.044 1.00 0.00 H new ATOM 0 HB THR A 78 -6.750 4.259 -3.723 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.722 5.564 -5.455 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.931 6.393 -3.350 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.599 6.126 -2.201 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.389 7.257 -3.559 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.025 5.847 -1.918 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.412 6.793 -1.004 1.00 0.00 C ATOM 1251 C GLN A 79 -1.922 6.775 -1.229 1.00 0.00 C ATOM 1252 O GLN A 79 -1.208 7.734 -0.954 1.00 0.00 O ATOM 1253 CB GLN A 79 -3.732 6.426 0.447 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.156 6.764 0.861 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.265 8.130 1.510 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -5.279 9.175 0.691 1.00 0.00 O flip ATOM 1257 NE2 GLN A 79 -5.335 8.244 2.734 1.00 0.00 N flip ATOM 0 H GLN A 79 -4.337 4.984 -1.472 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.807 7.792 -1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.565 5.358 0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.038 6.947 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.803 6.729 -0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.518 6.006 1.555 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.321 7.413 3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.407 9.169 3.157 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.486 5.651 -1.755 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.108 5.405 -2.078 1.00 0.00 C ATOM 1268 C ILE A 80 0.422 6.462 -3.042 1.00 0.00 C ATOM 1269 O ILE A 80 1.549 6.938 -2.902 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.027 4.011 -2.708 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -0.591 2.952 -1.763 1.00 0.00 C ATOM 1272 CG2 ILE A 80 1.369 3.658 -3.092 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -0.616 3.343 -0.309 1.00 0.00 C ATOM 0 H ILE A 80 -2.100 4.866 -1.973 1.00 0.00 H new ATOM 0 HA ILE A 80 0.506 5.455 -1.179 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.631 4.035 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.607 2.712 -2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.001 2.042 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.384 2.662 -3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.742 4.383 -3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.004 3.671 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.033 2.526 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.399 3.553 0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.232 4.233 -0.182 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.410 6.837 -4.009 1.00 0.00 N ATOM 1286 CA GLN A 81 -0.040 7.847 -4.984 1.00 0.00 C ATOM 1287 C GLN A 81 -0.342 9.240 -4.446 1.00 0.00 C ATOM 1288 O GLN A 81 0.328 10.212 -4.794 1.00 0.00 O ATOM 1289 CB GLN A 81 -0.775 7.616 -6.304 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.220 6.454 -7.112 1.00 0.00 C ATOM 1291 CD GLN A 81 1.075 6.800 -7.819 1.00 0.00 C ATOM 1292 OE1 GLN A 81 2.107 7.014 -7.180 1.00 0.00 O ATOM 1293 NE2 GLN A 81 1.028 6.857 -9.144 1.00 0.00 N ATOM 0 H GLN A 81 -1.347 6.453 -4.135 1.00 0.00 H new ATOM 0 HA GLN A 81 1.031 7.770 -5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.829 7.433 -6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.721 8.524 -6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.052 5.604 -6.451 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.960 6.143 -7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.151 6.672 -9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.869 7.085 -9.675 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.347 9.322 -3.583 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.728 10.594 -2.976 1.00 0.00 C ATOM 1304 C LYS A 82 -0.691 11.009 -1.972 1.00 0.00 C ATOM 1305 O LYS A 82 -0.377 12.182 -1.840 1.00 0.00 O ATOM 1306 CB LYS A 82 -3.076 10.510 -2.253 1.00 0.00 C ATOM 1307 CG LYS A 82 -4.016 9.486 -2.803 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.411 9.770 -4.235 1.00 0.00 C ATOM 1309 CE LYS A 82 -5.843 10.271 -4.333 1.00 0.00 C ATOM 1310 NZ LYS A 82 -6.073 11.470 -3.480 1.00 0.00 N ATOM 0 H LYS A 82 -1.912 8.526 -3.287 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.808 11.320 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.896 10.290 -1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.558 11.487 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.550 8.502 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.912 9.450 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.735 10.513 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.301 8.863 -4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.072 10.515 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.527 9.476 -4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.946 11.948 -3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.164 11.177 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.270 12.123 -3.576 1.00 0.00 H new ATOM 1324 N ASP A 83 -0.150 10.029 -1.277 1.00 0.00 N ATOM 1325 CA ASP A 83 0.864 10.291 -0.289 1.00 0.00 C ATOM 1326 C ASP A 83 2.111 10.710 -1.023 1.00 0.00 C ATOM 1327 O ASP A 83 2.809 11.657 -0.655 1.00 0.00 O ATOM 1328 CB ASP A 83 1.134 9.047 0.554 1.00 0.00 C ATOM 1329 CG ASP A 83 -0.086 8.598 1.333 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.969 9.442 1.593 1.00 0.00 O ATOM 1331 OD2 ASP A 83 -0.160 7.401 1.682 1.00 0.00 O ATOM 0 H ASP A 83 -0.399 9.045 -1.382 1.00 0.00 H new ATOM 0 HA ASP A 83 0.535 11.077 0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.465 8.237 -0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.949 9.252 1.248 1.00 0.00 H new ATOM 1336 N ILE A 84 2.338 9.993 -2.108 1.00 0.00 N ATOM 1337 CA ILE A 84 3.443 10.236 -2.993 1.00 0.00 C ATOM 1338 C ILE A 84 3.433 11.687 -3.461 1.00 0.00 C ATOM 1339 O ILE A 84 4.393 12.432 -3.267 1.00 0.00 O ATOM 1340 CB ILE A 84 3.316 9.316 -4.230 1.00 0.00 C ATOM 1341 CG1 ILE A 84 3.961 7.944 -4.006 1.00 0.00 C ATOM 1342 CG2 ILE A 84 3.919 9.992 -5.426 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.183 7.623 -2.557 1.00 0.00 C ATOM 0 H ILE A 84 1.745 9.215 -2.397 1.00 0.00 H new ATOM 0 HA ILE A 84 4.373 10.033 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 84 2.255 9.140 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.327 7.175 -4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.916 7.909 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.828 9.342 -6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.395 10.929 -5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.972 10.198 -5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.642 6.638 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.841 8.371 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.227 7.626 -2.033 1.00 0.00 H new ATOM 1355 N LYS A 85 2.337 12.052 -4.113 1.00 0.00 N ATOM 1356 CA LYS A 85 2.169 13.382 -4.665 1.00 0.00 C ATOM 1357 C LYS A 85 1.854 14.438 -3.619 1.00 0.00 C ATOM 1358 O LYS A 85 2.193 15.608 -3.793 1.00 0.00 O ATOM 1359 CB LYS A 85 1.060 13.364 -5.707 1.00 0.00 C ATOM 1360 CG LYS A 85 1.557 13.679 -7.101 1.00 0.00 C ATOM 1361 CD LYS A 85 2.447 12.562 -7.627 1.00 0.00 C ATOM 1362 CE LYS A 85 3.920 12.804 -7.326 1.00 0.00 C ATOM 1363 NZ LYS A 85 4.307 14.230 -7.510 1.00 0.00 N ATOM 0 H LYS A 85 1.543 11.432 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 85 3.125 13.655 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.586 12.382 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.294 14.087 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.708 13.819 -7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.112 14.617 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.139 11.616 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.310 12.468 -8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.134 12.501 -6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.529 12.177 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.314 14.286 -7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.734 14.650 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.144 14.751 -6.625 1.00 0.00 H new ATOM 1377 N ASN A 86 1.168 14.044 -2.562 1.00 0.00 N ATOM 1378 CA ASN A 86 0.781 15.016 -1.537 1.00 0.00 C ATOM 1379 C ASN A 86 1.966 15.475 -0.692 1.00 0.00 C ATOM 1380 O ASN A 86 1.869 16.468 0.030 1.00 0.00 O ATOM 1381 CB ASN A 86 -0.351 14.495 -0.637 1.00 0.00 C ATOM 1382 CG ASN A 86 0.105 13.456 0.370 1.00 0.00 C ATOM 1383 OD1 ASN A 86 1.298 13.187 0.509 1.00 0.00 O ATOM 1384 ND2 ASN A 86 -0.850 12.864 1.079 1.00 0.00 N ATOM 0 H ASN A 86 0.870 13.085 -2.386 1.00 0.00 H new ATOM 0 HA ASN A 86 0.405 15.883 -2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.796 15.335 -0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.133 14.064 -1.263 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.606 12.156 1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.827 13.118 0.931 1.00 0.00 H new ATOM 1391 N GLY A 87 3.080 14.761 -0.778 1.00 0.00 N ATOM 1392 CA GLY A 87 4.248 15.138 -0.007 1.00 0.00 C ATOM 1393 C GLY A 87 4.304 14.430 1.327 1.00 0.00 C ATOM 1394 O GLY A 87 4.812 14.970 2.309 1.00 0.00 O ATOM 0 H GLY A 87 3.196 13.934 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.148 14.907 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.242 16.216 0.156 1.00 0.00 H new ATOM 1398 N ASN A 88 3.801 13.204 1.350 1.00 0.00 N ATOM 1399 CA ASN A 88 3.810 12.392 2.547 1.00 0.00 C ATOM 1400 C ASN A 88 4.917 11.367 2.424 1.00 0.00 C ATOM 1401 O ASN A 88 5.447 10.865 3.414 1.00 0.00 O ATOM 1402 CB ASN A 88 2.454 11.705 2.741 1.00 0.00 C ATOM 1403 CG ASN A 88 1.345 12.663 3.160 1.00 0.00 C ATOM 1404 OD1 ASN A 88 0.213 12.239 3.395 1.00 0.00 O ATOM 1405 ND2 ASN A 88 1.649 13.956 3.256 1.00 0.00 N ATOM 0 H ASN A 88 3.378 12.750 0.540 1.00 0.00 H new ATOM 0 HA ASN A 88 3.988 13.021 3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.168 11.214 1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.555 10.925 3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.934 14.629 3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.597 14.273 3.054 1.00 0.00 H new ATOM 1412 N ILE A 89 5.246 11.074 1.176 1.00 0.00 N ATOM 1413 CA ILE A 89 6.255 10.138 0.822 1.00 0.00 C ATOM 1414 C ILE A 89 7.355 10.868 0.083 1.00 0.00 C ATOM 1415 O ILE A 89 7.115 11.912 -0.524 1.00 0.00 O ATOM 1416 CB ILE A 89 5.605 9.104 -0.087 1.00 0.00 C ATOM 1417 CG1 ILE A 89 4.304 8.576 0.546 1.00 0.00 C ATOM 1418 CG2 ILE A 89 6.571 8.016 -0.405 1.00 0.00 C ATOM 1419 CD1 ILE A 89 4.461 7.356 1.423 1.00 0.00 C ATOM 0 H ILE A 89 4.793 11.504 0.370 1.00 0.00 H new ATOM 0 HA ILE A 89 6.685 9.654 1.699 1.00 0.00 H new ATOM 0 HB ILE A 89 5.330 9.573 -1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.858 9.374 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.600 8.341 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.093 7.284 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.440 8.437 -0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.888 7.530 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.488 7.065 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.873 6.536 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.135 7.585 2.248 1.00 0.00 H new ATOM 1431 N ASP A 90 8.556 10.335 0.136 1.00 0.00 N ATOM 1432 CA ASP A 90 9.670 10.967 -0.529 1.00 0.00 C ATOM 1433 C ASP A 90 9.926 10.296 -1.852 1.00 0.00 C ATOM 1434 O ASP A 90 10.935 9.618 -2.034 1.00 0.00 O ATOM 1435 CB ASP A 90 10.906 10.902 0.339 1.00 0.00 C ATOM 1436 CG ASP A 90 10.859 11.896 1.484 1.00 0.00 C ATOM 1437 OD1 ASP A 90 11.179 13.082 1.255 1.00 0.00 O ATOM 1438 OD2 ASP A 90 10.502 11.489 2.610 1.00 0.00 O ATOM 0 H ASP A 90 8.784 9.472 0.629 1.00 0.00 H new ATOM 0 HA ASP A 90 9.426 12.015 -0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.013 9.894 0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.787 11.097 -0.272 1.00 0.00 H new ATOM 1443 N THR A 91 9.000 10.478 -2.781 1.00 0.00 N ATOM 1444 CA THR A 91 9.122 9.869 -4.089 1.00 0.00 C ATOM 1445 C THR A 91 10.472 10.152 -4.724 1.00 0.00 C ATOM 1446 O THR A 91 10.817 9.540 -5.724 1.00 0.00 O ATOM 1447 CB THR A 91 7.974 10.296 -4.991 1.00 0.00 C ATOM 1448 OG1 THR A 91 7.320 11.443 -4.477 1.00 0.00 O ATOM 1449 CG2 THR A 91 6.946 9.206 -5.150 1.00 0.00 C ATOM 0 H THR A 91 8.160 11.041 -2.651 1.00 0.00 H new ATOM 0 HA THR A 91 9.061 8.789 -3.958 1.00 0.00 H new ATOM 0 HB THR A 91 8.418 10.518 -5.961 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.587 11.698 -5.076 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.145 9.554 -5.802 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.414 8.325 -5.589 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.534 8.949 -4.174 1.00 0.00 H new ATOM 1457 N GLU A 92 11.259 11.020 -4.102 1.00 0.00 N ATOM 1458 CA GLU A 92 12.596 11.293 -4.575 1.00 0.00 C ATOM 1459 C GLU A 92 13.406 10.042 -4.307 1.00 0.00 C ATOM 1460 O GLU A 92 14.108 9.520 -5.173 1.00 0.00 O ATOM 1461 CB GLU A 92 13.202 12.494 -3.845 1.00 0.00 C ATOM 1462 CG GLU A 92 12.189 13.278 -3.035 1.00 0.00 C ATOM 1463 CD GLU A 92 12.641 14.693 -2.731 1.00 0.00 C ATOM 1464 OE1 GLU A 92 13.865 14.913 -2.609 1.00 0.00 O ATOM 1465 OE2 GLU A 92 11.771 15.583 -2.615 1.00 0.00 O ATOM 0 H GLU A 92 10.988 11.543 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 92 12.590 11.542 -5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.995 12.146 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.665 13.158 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.245 13.313 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.997 12.755 -2.098 1.00 0.00 H new ATOM 1472 N LYS A 93 13.219 9.540 -3.094 1.00 0.00 N ATOM 1473 CA LYS A 93 13.840 8.308 -2.654 1.00 0.00 C ATOM 1474 C LYS A 93 13.285 7.176 -3.481 1.00 0.00 C ATOM 1475 O LYS A 93 14.006 6.471 -4.186 1.00 0.00 O ATOM 1476 CB LYS A 93 13.495 8.027 -1.191 1.00 0.00 C ATOM 1477 CG LYS A 93 14.231 8.847 -0.160 1.00 0.00 C ATOM 1478 CD LYS A 93 13.543 8.677 1.185 1.00 0.00 C ATOM 1479 CE LYS A 93 13.129 9.992 1.786 1.00 0.00 C ATOM 1480 NZ LYS A 93 14.024 10.414 2.899 1.00 0.00 N ATOM 0 H LYS A 93 12.629 9.981 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 93 14.921 8.397 -2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.425 8.187 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.688 6.973 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.271 8.526 -0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.239 9.898 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.665 8.043 1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.215 8.162 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.130 10.759 1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.106 9.914 2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.461 10.877 3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.501 9.580 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.736 11.081 2.538 1.00 0.00 H new ATOM 1494 N LEU A 94 11.974 7.027 -3.377 1.00 0.00 N ATOM 1495 CA LEU A 94 11.254 6.013 -4.086 1.00 0.00 C ATOM 1496 C LEU A 94 11.482 6.126 -5.579 1.00 0.00 C ATOM 1497 O LEU A 94 11.312 5.155 -6.306 1.00 0.00 O ATOM 1498 CB LEU A 94 9.794 6.146 -3.718 1.00 0.00 C ATOM 1499 CG LEU A 94 9.577 6.103 -2.212 1.00 0.00 C ATOM 1500 CD1 LEU A 94 9.335 7.476 -1.627 1.00 0.00 C ATOM 1501 CD2 LEU A 94 8.451 5.184 -1.878 1.00 0.00 C ATOM 0 H LEU A 94 11.386 7.618 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 94 11.610 5.022 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.405 7.084 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.227 5.343 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 94 10.494 5.723 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.186 7.392 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.197 8.113 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.447 7.914 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.307 5.163 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.539 5.537 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.683 4.180 -2.233 1.00 0.00 H new ATOM 1513 N ARG A 95 11.903 7.302 -6.033 1.00 0.00 N ATOM 1514 CA ARG A 95 12.180 7.496 -7.427 1.00 0.00 C ATOM 1515 C ARG A 95 13.436 6.745 -7.790 1.00 0.00 C ATOM 1516 O ARG A 95 13.519 6.149 -8.855 1.00 0.00 O ATOM 1517 CB ARG A 95 12.324 8.993 -7.722 1.00 0.00 C ATOM 1518 CG ARG A 95 13.423 9.351 -8.705 1.00 0.00 C ATOM 1519 CD ARG A 95 12.954 9.252 -10.151 1.00 0.00 C ATOM 1520 NE ARG A 95 11.962 8.194 -10.346 1.00 0.00 N ATOM 1521 CZ ARG A 95 10.883 8.315 -11.118 1.00 0.00 C ATOM 1522 NH1 ARG A 95 10.647 9.444 -11.779 1.00 0.00 N ATOM 1523 NH2 ARG A 95 10.035 7.302 -11.233 1.00 0.00 N ATOM 0 H ARG A 95 12.055 8.124 -5.448 1.00 0.00 H new ATOM 0 HA ARG A 95 11.358 7.111 -8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.375 9.364 -8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.512 9.516 -6.784 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.771 10.365 -8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.274 8.687 -8.554 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.527 10.207 -10.458 1.00 0.00 H new ATOM 0 HD3 ARG A 95 13.812 9.065 -10.796 1.00 0.00 H new ATOM 0 HE ARG A 95 12.106 7.309 -9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.295 10.228 -11.698 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.818 9.527 -12.368 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.209 6.432 -10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.208 7.393 -11.824 1.00 0.00 H new ATOM 1537 N LYS A 96 14.402 6.768 -6.884 1.00 0.00 N ATOM 1538 CA LYS A 96 15.659 6.067 -7.109 1.00 0.00 C ATOM 1539 C LYS A 96 15.456 4.580 -6.913 1.00 0.00 C ATOM 1540 O LYS A 96 15.906 3.759 -7.712 1.00 0.00 O ATOM 1541 CB LYS A 96 16.758 6.578 -6.169 1.00 0.00 C ATOM 1542 CG LYS A 96 16.624 8.047 -5.793 1.00 0.00 C ATOM 1543 CD LYS A 96 16.455 8.934 -7.017 1.00 0.00 C ATOM 1544 CE LYS A 96 17.776 9.556 -7.438 1.00 0.00 C ATOM 1545 NZ LYS A 96 17.579 10.811 -8.215 1.00 0.00 N ATOM 0 H LYS A 96 14.342 7.260 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 96 15.979 6.259 -8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.749 5.979 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.727 6.423 -6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.768 8.175 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.507 8.361 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 96 16.049 8.347 -7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.733 9.721 -6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.375 9.768 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 96 18.338 8.841 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 18.505 11.203 -8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.029 10.605 -9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.066 11.503 -7.633 1.00 0.00 H new ATOM 1559 N TYR A 97 14.757 4.249 -5.841 1.00 0.00 N ATOM 1560 CA TYR A 97 14.462 2.873 -5.519 1.00 0.00 C ATOM 1561 C TYR A 97 13.524 2.275 -6.568 1.00 0.00 C ATOM 1562 O TYR A 97 13.637 1.100 -6.908 1.00 0.00 O ATOM 1563 CB TYR A 97 13.868 2.803 -4.108 1.00 0.00 C ATOM 1564 CG TYR A 97 12.875 1.707 -3.903 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.287 0.390 -3.871 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.528 1.990 -3.744 1.00 0.00 C ATOM 1567 CE1 TYR A 97 12.386 -0.627 -3.683 1.00 0.00 C ATOM 1568 CE2 TYR A 97 10.619 0.982 -3.559 1.00 0.00 C ATOM 1569 CZ TYR A 97 11.050 -0.331 -3.528 1.00 0.00 C ATOM 1570 OH TYR A 97 10.147 -1.352 -3.344 1.00 0.00 O ATOM 0 H TYR A 97 14.382 4.926 -5.176 1.00 0.00 H new ATOM 0 HA TYR A 97 15.377 2.280 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.680 2.677 -3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.389 3.756 -3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.334 0.157 -3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.191 3.016 -3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.722 -1.653 -3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.571 1.212 -3.438 1.00 0.00 H new ATOM 0 HH TYR A 97 10.465 -1.946 -2.632 1.00 0.00 H new ATOM 1580 N GLU A 98 12.621 3.098 -7.103 1.00 0.00 N ATOM 1581 CA GLU A 98 11.701 2.642 -8.134 1.00 0.00 C ATOM 1582 C GLU A 98 12.487 2.278 -9.381 1.00 0.00 C ATOM 1583 O GLU A 98 12.142 1.336 -10.094 1.00 0.00 O ATOM 1584 CB GLU A 98 10.670 3.721 -8.477 1.00 0.00 C ATOM 1585 CG GLU A 98 9.433 3.694 -7.590 1.00 0.00 C ATOM 1586 CD GLU A 98 8.828 5.069 -7.383 1.00 0.00 C ATOM 1587 OE1 GLU A 98 9.379 6.050 -7.925 1.00 0.00 O ATOM 1588 OE2 GLU A 98 7.802 5.165 -6.677 1.00 0.00 O ATOM 0 H GLU A 98 12.511 4.077 -6.839 1.00 0.00 H new ATOM 0 HA GLU A 98 11.167 1.770 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.142 4.700 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.363 3.600 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.686 3.037 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.695 3.268 -6.622 1.00 0.00 H new ATOM 1595 N ILE A 99 13.560 3.028 -9.632 1.00 0.00 N ATOM 1596 CA ILE A 99 14.403 2.769 -10.788 1.00 0.00 C ATOM 1597 C ILE A 99 14.906 1.345 -10.748 1.00 0.00 C ATOM 1598 O ILE A 99 14.769 0.581 -11.703 1.00 0.00 O ATOM 1599 CB ILE A 99 15.629 3.701 -10.849 1.00 0.00 C ATOM 1600 CG1 ILE A 99 15.232 5.143 -10.585 1.00 0.00 C ATOM 1601 CG2 ILE A 99 16.323 3.574 -12.193 1.00 0.00 C ATOM 1602 CD1 ILE A 99 14.054 5.615 -11.412 1.00 0.00 C ATOM 0 H ILE A 99 13.860 3.812 -9.053 1.00 0.00 H new ATOM 0 HA ILE A 99 13.786 2.949 -11.668 1.00 0.00 H new ATOM 0 HB ILE A 99 16.326 3.398 -10.068 1.00 0.00 H new ATOM 0 HG12 ILE A 99 14.990 5.256 -9.528 1.00 0.00 H new ATOM 0 HG13 ILE A 99 16.087 5.788 -10.787 1.00 0.00 H new ATOM 0 HG21 ILE A 99 17.187 4.238 -12.221 1.00 0.00 H new ATOM 0 HG22 ILE A 99 16.652 2.545 -12.337 1.00 0.00 H new ATOM 0 HG23 ILE A 99 15.629 3.848 -12.988 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.831 6.653 -11.167 1.00 0.00 H new ATOM 0 HD12 ILE A 99 14.298 5.536 -12.471 1.00 0.00 H new ATOM 0 HD13 ILE A 99 13.184 4.995 -11.193 1.00 0.00 H new ATOM 1614 N ALA A 100 15.488 1.013 -9.615 1.00 0.00 N ATOM 1615 CA ALA A 100 16.035 -0.314 -9.381 1.00 0.00 C ATOM 1616 C ALA A 100 14.940 -1.356 -9.198 1.00 0.00 C ATOM 1617 O ALA A 100 15.220 -2.532 -8.961 1.00 0.00 O ATOM 1618 CB ALA A 100 16.946 -0.286 -8.166 1.00 0.00 C ATOM 0 H ALA A 100 15.597 1.653 -8.828 1.00 0.00 H new ATOM 0 HA ALA A 100 16.610 -0.600 -10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 100 17.354 -1.282 -7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 100 17.762 0.415 -8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 100 16.377 0.029 -7.292 1.00 0.00 H new ATOM 1624 N LYS A 101 13.696 -0.916 -9.284 1.00 0.00 N ATOM 1625 CA LYS A 101 12.562 -1.788 -9.106 1.00 0.00 C ATOM 1626 C LYS A 101 11.830 -2.054 -10.412 1.00 0.00 C ATOM 1627 O LYS A 101 11.493 -3.194 -10.732 1.00 0.00 O ATOM 1628 CB LYS A 101 11.628 -1.142 -8.107 1.00 0.00 C ATOM 1629 CG LYS A 101 12.177 -1.140 -6.695 1.00 0.00 C ATOM 1630 CD LYS A 101 11.835 -2.423 -5.965 1.00 0.00 C ATOM 1631 CE LYS A 101 13.043 -3.339 -5.837 1.00 0.00 C ATOM 1632 NZ LYS A 101 12.906 -4.559 -6.680 1.00 0.00 N ATOM 0 H LYS A 101 13.451 0.055 -9.479 1.00 0.00 H new ATOM 0 HA LYS A 101 12.914 -2.754 -8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.430 -0.115 -8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.673 -1.668 -8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.259 -1.014 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.772 -0.289 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.452 -2.186 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.039 -2.943 -6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.943 -2.796 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.169 -3.630 -4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.839 -4.833 -7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.519 -5.336 -6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.264 -4.362 -7.474 1.00 0.00 H new ATOM 1646 N GLY A 102 11.569 -0.989 -11.150 1.00 0.00 N ATOM 1647 CA GLY A 102 10.853 -1.112 -12.406 1.00 0.00 C ATOM 1648 C GLY A 102 9.382 -1.400 -12.183 1.00 0.00 C ATOM 1649 O GLY A 102 8.810 -2.294 -12.806 1.00 0.00 O ATOM 0 H GLY A 102 11.840 -0.037 -10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.961 -0.191 -12.979 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.295 -1.911 -13.001 1.00 0.00 H new ATOM 1653 N LEU A 103 8.777 -0.645 -11.270 1.00 0.00 N ATOM 1654 CA LEU A 103 7.370 -0.816 -10.931 1.00 0.00 C ATOM 1655 C LEU A 103 6.459 -0.082 -11.914 1.00 0.00 C ATOM 1656 O LEU A 103 6.855 0.222 -13.039 1.00 0.00 O ATOM 1657 CB LEU A 103 7.120 -0.322 -9.506 1.00 0.00 C ATOM 1658 CG LEU A 103 8.198 -0.712 -8.492 1.00 0.00 C ATOM 1659 CD1 LEU A 103 8.966 0.516 -8.027 1.00 0.00 C ATOM 1660 CD2 LEU A 103 7.576 -1.436 -7.308 1.00 0.00 C ATOM 0 H LEU A 103 9.245 0.096 -10.749 1.00 0.00 H new ATOM 0 HA LEU A 103 7.133 -1.878 -10.996 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.034 0.764 -9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.162 -0.713 -9.164 1.00 0.00 H new ATOM 0 HG LEU A 103 8.900 -1.389 -8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.728 0.218 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.443 0.992 -8.883 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.278 1.219 -7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.356 -1.706 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.852 -0.783 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.074 -2.339 -7.656 1.00 0.00 H new