USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 577 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 41 GLN : amide:sc= 0.271 K(o=1.3,f=-12!) USER MOD Set 1.2: A 69 SER OG : rot 80:sc= 1.07 USER MOD Set 2.1: A 19 SER OG : rot 30:sc= -0.175 USER MOD Set 2.2: A 57 SER OG : rot 35:sc= 0.868 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.458! (180deg=-1.74!) USER MOD Single : A 2 GLN : amide:sc= -9.99! C(o=-10!,f=-5.5!) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= -1.08 (180deg=-1.32) USER MOD Single : A 7 THR OG1 : rot -94:sc= 1.27 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.387 (180deg=-1.05) USER MOD Single : A 12 THR OG1 : rot -4:sc= -2.16! USER MOD Single : A 14 THR OG1 : rot -44:sc= 1.15 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -1.83! (180deg=-2.01!) USER MOD Single : A 28 SER OG : rot 28:sc= 1.22 USER MOD Single : A 29 LYS NZ :NH3+ -119:sc= -0.32 (180deg=-0.75) USER MOD Single : A 31 GLN : amide:sc= -3.63! C(o=-3.6!,f=-5.5!) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0147 (180deg=-0.183) USER MOD Single : A 40 GLN : amide:sc= -2.79 K(o=-2.8,f=-6.2!) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.283 (180deg=-0.621) USER MOD Single : A 49 GLN : amide:sc= -8.47! C(o=-8.5!,f=-13!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.603 USER MOD Single : A 60 ASN : amide:sc= -2.67! K(o=-2.7!,f=-0.33) USER MOD Single : A 62 GLN : amide:sc= -1.45 K(o=-1.4,f=-3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 79:sc= -0.326 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.118 3.842 2.617 1.00 0.30 N ATOM 2 CA MET A 1 12.925 3.439 1.206 1.00 0.24 C ATOM 3 C MET A 1 11.853 4.381 0.542 1.00 0.24 C ATOM 4 O MET A 1 11.780 5.520 0.989 1.00 0.42 O ATOM 5 CB MET A 1 12.590 1.909 1.233 1.00 0.26 C ATOM 6 CG MET A 1 13.779 0.987 0.969 1.00 0.37 C ATOM 7 SD MET A 1 14.700 1.434 -0.516 1.00 0.64 S ATOM 8 CE MET A 1 16.090 0.310 -0.401 1.00 1.50 C ATOM 0 H1 MET A 1 14.064 3.550 2.935 1.00 0.30 H new ATOM 0 H2 MET A 1 13.028 4.875 2.698 1.00 0.30 H new ATOM 0 H3 MET A 1 12.397 3.384 3.211 1.00 0.30 H new ATOM 0 HA MET A 1 13.805 3.561 0.574 1.00 0.24 H new ATOM 0 HB2 MET A 1 12.166 1.662 2.206 1.00 0.26 H new ATOM 0 HB3 MET A 1 11.820 1.707 0.489 1.00 0.26 H new ATOM 0 HG2 MET A 1 14.450 1.013 1.828 1.00 0.37 H new ATOM 0 HG3 MET A 1 13.423 -0.039 0.874 1.00 0.37 H new ATOM 0 HE1 MET A 1 16.754 0.464 -1.252 1.00 1.50 H new ATOM 0 HE2 MET A 1 16.635 0.499 0.524 1.00 1.50 H new ATOM 0 HE3 MET A 1 15.728 -0.718 -0.405 1.00 1.50 H new ATOM 20 N GLN A 2 10.850 3.934 -0.265 1.00 0.21 N ATOM 21 CA GLN A 2 9.979 4.918 -0.994 1.00 0.25 C ATOM 22 C GLN A 2 8.975 4.160 -1.883 1.00 0.19 C ATOM 23 O GLN A 2 9.391 3.336 -2.706 1.00 0.21 O ATOM 24 CB GLN A 2 10.808 5.826 -1.962 1.00 0.44 C ATOM 25 CG GLN A 2 11.681 6.939 -1.337 1.00 1.00 C ATOM 26 CD GLN A 2 13.104 6.484 -1.055 1.00 2.14 C ATOM 27 OE1 GLN A 2 13.743 6.957 -0.114 1.00 3.00 O ATOM 28 NE2 GLN A 2 13.611 5.568 -1.872 1.00 2.81 N ATOM 0 H GLN A 2 10.626 2.952 -0.427 1.00 0.21 H new ATOM 0 HA GLN A 2 9.489 5.525 -0.233 1.00 0.25 H new ATOM 0 HB2 GLN A 2 11.460 5.180 -2.551 1.00 0.44 H new ATOM 0 HB3 GLN A 2 10.113 6.297 -2.657 1.00 0.44 H new ATOM 0 HG2 GLN A 2 11.705 7.796 -2.010 1.00 1.00 H new ATOM 0 HG3 GLN A 2 11.221 7.276 -0.408 1.00 1.00 H new ATOM 0 HE21 GLN A 2 13.048 5.202 -2.640 1.00 2.81 H new ATOM 0 HE22 GLN A 2 14.563 5.231 -1.732 1.00 2.81 H new ATOM 37 N ILE A 3 7.672 4.445 -1.754 1.00 0.19 N ATOM 38 CA ILE A 3 6.661 3.774 -2.594 1.00 0.18 C ATOM 39 C ILE A 3 5.526 4.742 -2.918 1.00 0.18 C ATOM 40 O ILE A 3 5.169 5.545 -2.054 1.00 0.24 O ATOM 41 CB ILE A 3 6.072 2.535 -1.875 1.00 0.23 C ATOM 42 CG1 ILE A 3 7.157 1.459 -1.709 1.00 0.24 C ATOM 43 CG2 ILE A 3 4.885 1.984 -2.654 1.00 0.25 C ATOM 44 CD1 ILE A 3 7.654 0.880 -3.028 1.00 0.26 C ATOM 0 H ILE A 3 7.295 5.122 -1.091 1.00 0.19 H new ATOM 0 HA ILE A 3 7.152 3.451 -3.512 1.00 0.18 H new ATOM 0 HB ILE A 3 5.723 2.833 -0.887 1.00 0.23 H new ATOM 0 HG12 ILE A 3 8.002 1.888 -1.170 1.00 0.24 H new ATOM 0 HG13 ILE A 3 6.763 0.651 -1.093 1.00 0.24 H new ATOM 0 HG21 ILE A 3 4.482 1.114 -2.136 1.00 0.25 H new ATOM 0 HG22 ILE A 3 4.113 2.750 -2.731 1.00 0.25 H new ATOM 0 HG23 ILE A 3 5.209 1.694 -3.653 1.00 0.25 H new ATOM 0 HD11 ILE A 3 8.418 0.128 -2.830 1.00 0.26 H new ATOM 0 HD12 ILE A 3 6.821 0.421 -3.560 1.00 0.26 H new ATOM 0 HD13 ILE A 3 8.079 1.677 -3.638 1.00 0.26 H new ATOM 56 N PHE A 4 4.912 4.687 -4.129 1.00 0.16 N ATOM 57 CA PHE A 4 3.824 5.673 -4.390 1.00 0.17 C ATOM 58 C PHE A 4 2.519 4.949 -4.750 1.00 0.19 C ATOM 59 O PHE A 4 2.502 4.057 -5.599 1.00 0.24 O ATOM 60 CB PHE A 4 4.178 6.833 -5.482 1.00 0.28 C ATOM 61 CG PHE A 4 5.537 7.595 -5.333 1.00 0.43 C ATOM 62 CD1 PHE A 4 6.341 7.356 -4.229 1.00 0.77 C ATOM 63 CD2 PHE A 4 6.037 8.550 -6.306 1.00 0.50 C ATOM 64 CE1 PHE A 4 7.557 7.989 -4.057 1.00 1.00 C ATOM 65 CE2 PHE A 4 7.272 9.173 -6.110 1.00 0.63 C ATOM 66 CZ PHE A 4 8.021 8.888 -4.991 1.00 0.86 C ATOM 0 H PHE A 4 5.124 4.033 -4.883 1.00 0.16 H new ATOM 0 HA PHE A 4 3.700 6.216 -3.453 1.00 0.17 H new ATOM 0 HB2 PHE A 4 4.158 6.377 -6.472 1.00 0.28 H new ATOM 0 HB3 PHE A 4 3.377 7.572 -5.456 1.00 0.28 H new ATOM 0 HD1 PHE A 4 6.006 6.653 -3.480 1.00 0.77 H new ATOM 0 HD2 PHE A 4 5.452 8.779 -7.184 1.00 0.50 H new ATOM 0 HE1 PHE A 4 8.150 7.776 -3.180 1.00 1.00 H new ATOM 0 HE2 PHE A 4 7.640 9.880 -6.839 1.00 0.63 H new ATOM 0 HZ PHE A 4 8.976 9.371 -4.845 1.00 0.86 H new ATOM 76 N VAL A 5 1.423 5.355 -4.080 1.00 0.19 N ATOM 77 CA VAL A 5 0.113 4.747 -4.291 1.00 0.23 C ATOM 78 C VAL A 5 -0.893 5.768 -4.836 1.00 0.20 C ATOM 79 O VAL A 5 -1.057 6.851 -4.240 1.00 0.17 O ATOM 80 CB VAL A 5 -0.488 4.132 -2.967 1.00 0.27 C ATOM 81 CG1 VAL A 5 -1.962 3.798 -3.107 1.00 0.63 C ATOM 82 CG2 VAL A 5 0.256 2.877 -2.519 1.00 0.70 C ATOM 0 H VAL A 5 1.429 6.104 -3.388 1.00 0.19 H new ATOM 0 HA VAL A 5 0.273 3.948 -5.015 1.00 0.23 H new ATOM 0 HB VAL A 5 -0.366 4.907 -2.210 1.00 0.27 H new ATOM 0 HG11 VAL A 5 -2.330 3.378 -2.171 1.00 0.63 H new ATOM 0 HG12 VAL A 5 -2.520 4.704 -3.342 1.00 0.63 H new ATOM 0 HG13 VAL A 5 -2.096 3.071 -3.908 1.00 0.63 H new ATOM 0 HG21 VAL A 5 -0.196 2.493 -1.604 1.00 0.70 H new ATOM 0 HG22 VAL A 5 0.194 2.119 -3.300 1.00 0.70 H new ATOM 0 HG23 VAL A 5 1.302 3.121 -2.332 1.00 0.70 H new ATOM 92 N LYS A 6 -1.524 5.475 -5.993 1.00 0.23 N ATOM 93 CA LYS A 6 -2.582 6.398 -6.491 1.00 0.21 C ATOM 94 C LYS A 6 -3.854 6.016 -5.734 1.00 0.21 C ATOM 95 O LYS A 6 -4.067 4.845 -5.421 1.00 0.25 O ATOM 96 CB LYS A 6 -2.894 6.277 -8.041 1.00 0.25 C ATOM 97 CG LYS A 6 -1.669 6.099 -8.992 1.00 0.54 C ATOM 98 CD LYS A 6 -0.703 7.297 -9.052 1.00 0.29 C ATOM 99 CE LYS A 6 0.402 7.077 -10.113 1.00 0.41 C ATOM 100 NZ LYS A 6 1.083 5.768 -9.921 1.00 1.11 N ATOM 0 H LYS A 6 -1.340 4.658 -6.575 1.00 0.23 H new ATOM 0 HA LYS A 6 -2.238 7.420 -6.331 1.00 0.21 H new ATOM 0 HB2 LYS A 6 -3.564 5.430 -8.188 1.00 0.25 H new ATOM 0 HB3 LYS A 6 -3.437 7.170 -8.349 1.00 0.25 H new ATOM 0 HG2 LYS A 6 -1.110 5.218 -8.677 1.00 0.54 H new ATOM 0 HG3 LYS A 6 -2.037 5.899 -9.998 1.00 0.54 H new ATOM 0 HD2 LYS A 6 -1.260 8.204 -9.287 1.00 0.29 H new ATOM 0 HD3 LYS A 6 -0.246 7.448 -8.074 1.00 0.29 H new ATOM 0 HE2 LYS A 6 -0.035 7.119 -11.111 1.00 0.41 H new ATOM 0 HE3 LYS A 6 1.134 7.883 -10.051 1.00 0.41 H new ATOM 0 HZ1 LYS A 6 1.932 5.727 -10.520 1.00 1.11 H new ATOM 0 HZ2 LYS A 6 1.357 5.662 -8.923 1.00 1.11 H new ATOM 0 HZ3 LYS A 6 0.436 4.998 -10.186 1.00 1.11 H new ATOM 114 N THR A 7 -4.687 6.996 -5.444 1.00 0.17 N ATOM 115 CA THR A 7 -5.961 6.710 -4.707 1.00 0.18 C ATOM 116 C THR A 7 -7.181 6.698 -5.646 1.00 0.19 C ATOM 117 O THR A 7 -7.091 7.116 -6.800 1.00 0.19 O ATOM 118 CB THR A 7 -6.234 7.712 -3.551 1.00 0.18 C ATOM 119 OG1 THR A 7 -6.449 9.024 -4.085 1.00 0.17 O ATOM 120 CG2 THR A 7 -5.057 7.745 -2.581 1.00 0.19 C ATOM 0 H THR A 7 -4.538 7.976 -5.686 1.00 0.17 H new ATOM 0 HA THR A 7 -5.819 5.718 -4.278 1.00 0.18 H new ATOM 0 HB THR A 7 -7.124 7.385 -3.014 1.00 0.18 H new ATOM 0 HG1 THR A 7 -5.603 9.518 -4.090 1.00 0.17 H new ATOM 0 HG21 THR A 7 -5.267 8.452 -1.778 1.00 0.19 H new ATOM 0 HG22 THR A 7 -4.905 6.752 -2.159 1.00 0.19 H new ATOM 0 HG23 THR A 7 -4.157 8.055 -3.112 1.00 0.19 H new ATOM 128 N LEU A 8 -8.324 6.213 -5.130 1.00 0.21 N ATOM 129 CA LEU A 8 -9.560 6.116 -5.934 1.00 0.22 C ATOM 130 C LEU A 8 -10.137 7.476 -6.379 1.00 0.22 C ATOM 131 O LEU A 8 -11.003 7.507 -7.254 1.00 0.24 O ATOM 132 CB LEU A 8 -10.644 5.302 -5.204 1.00 0.25 C ATOM 133 CG LEU A 8 -10.773 3.849 -5.682 1.00 0.35 C ATOM 134 CD1 LEU A 8 -9.588 3.011 -5.231 1.00 0.50 C ATOM 135 CD2 LEU A 8 -12.066 3.228 -5.189 1.00 0.34 C ATOM 0 H LEU A 8 -8.420 5.884 -4.169 1.00 0.21 H new ATOM 0 HA LEU A 8 -9.259 5.595 -6.843 1.00 0.22 H new ATOM 0 HB2 LEU A 8 -10.425 5.303 -4.136 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -11.605 5.801 -5.332 1.00 0.25 H new ATOM 0 HG LEU A 8 -10.786 3.866 -6.772 1.00 0.35 H new ATOM 0 HD11 LEU A 8 -9.710 1.988 -5.586 1.00 0.50 H new ATOM 0 HD12 LEU A 8 -8.669 3.430 -5.641 1.00 0.50 H new ATOM 0 HD13 LEU A 8 -9.534 3.014 -4.142 1.00 0.50 H new ATOM 0 HD21 LEU A 8 -12.133 2.199 -5.541 1.00 0.34 H new ATOM 0 HD22 LEU A 8 -12.083 3.240 -4.099 1.00 0.34 H new ATOM 0 HD23 LEU A 8 -12.913 3.798 -5.572 1.00 0.34 H new ATOM 147 N THR A 9 -9.683 8.595 -5.802 1.00 0.21 N ATOM 148 CA THR A 9 -10.201 9.919 -6.228 1.00 0.23 C ATOM 149 C THR A 9 -9.245 10.596 -7.220 1.00 0.23 C ATOM 150 O THR A 9 -9.460 11.739 -7.624 1.00 0.25 O ATOM 151 CB THR A 9 -10.396 10.846 -5.012 1.00 0.25 C ATOM 152 OG1 THR A 9 -10.945 10.104 -3.916 1.00 1.14 O ATOM 153 CG2 THR A 9 -11.323 12.005 -5.352 1.00 1.31 C ATOM 0 H THR A 9 -8.981 8.623 -5.062 1.00 0.21 H new ATOM 0 HA THR A 9 -11.161 9.748 -6.716 1.00 0.23 H new ATOM 0 HB THR A 9 -9.422 11.249 -4.734 1.00 0.25 H new ATOM 0 HG1 THR A 9 -11.065 10.698 -3.146 1.00 1.14 H new ATOM 0 HG21 THR A 9 -11.443 12.643 -4.477 1.00 1.31 H new ATOM 0 HG22 THR A 9 -10.895 12.586 -6.169 1.00 1.31 H new ATOM 0 HG23 THR A 9 -12.296 11.616 -5.654 1.00 1.31 H new ATOM 161 N GLY A 10 -8.196 9.878 -7.615 1.00 0.20 N ATOM 162 CA GLY A 10 -7.218 10.416 -8.567 1.00 0.22 C ATOM 163 C GLY A 10 -6.126 11.226 -7.888 1.00 0.21 C ATOM 164 O GLY A 10 -5.548 12.121 -8.504 1.00 0.24 O ATOM 0 H GLY A 10 -7.999 8.929 -7.296 1.00 0.20 H new ATOM 0 HA2 GLY A 10 -6.764 9.594 -9.120 1.00 0.22 H new ATOM 0 HA3 GLY A 10 -7.732 11.044 -9.294 1.00 0.22 H new ATOM 168 N LYS A 11 -5.832 10.922 -6.620 1.00 0.18 N ATOM 169 CA LYS A 11 -4.744 11.614 -5.893 1.00 0.18 C ATOM 170 C LYS A 11 -3.681 10.584 -5.441 1.00 0.14 C ATOM 171 O LYS A 11 -4.022 9.602 -4.786 1.00 0.13 O ATOM 172 CB LYS A 11 -5.306 12.382 -4.645 1.00 0.22 C ATOM 173 CG LYS A 11 -4.293 13.328 -3.951 1.00 0.78 C ATOM 174 CD LYS A 11 -4.824 13.849 -2.609 1.00 1.39 C ATOM 175 CE LYS A 11 -3.720 14.473 -1.737 1.00 1.90 C ATOM 176 NZ LYS A 11 -2.437 13.726 -1.848 1.00 2.00 N ATOM 0 H LYS A 11 -6.321 10.212 -6.075 1.00 0.18 H new ATOM 0 HA LYS A 11 -4.286 12.340 -6.565 1.00 0.18 H new ATOM 0 HB2 LYS A 11 -6.172 12.966 -4.956 1.00 0.22 H new ATOM 0 HB3 LYS A 11 -5.658 11.652 -3.916 1.00 0.22 H new ATOM 0 HG2 LYS A 11 -3.354 12.799 -3.789 1.00 0.78 H new ATOM 0 HG3 LYS A 11 -4.075 14.171 -4.607 1.00 0.78 H new ATOM 0 HD2 LYS A 11 -5.600 14.592 -2.793 1.00 1.39 H new ATOM 0 HD3 LYS A 11 -5.292 13.029 -2.064 1.00 1.39 H new ATOM 0 HE2 LYS A 11 -3.564 15.510 -2.036 1.00 1.90 H new ATOM 0 HE3 LYS A 11 -4.043 14.487 -0.696 1.00 1.90 H new ATOM 0 HZ1 LYS A 11 -1.823 13.970 -1.045 1.00 2.00 H new ATOM 0 HZ2 LYS A 11 -2.629 12.704 -1.839 1.00 2.00 H new ATOM 0 HZ3 LYS A 11 -1.962 13.982 -2.737 1.00 2.00 H new ATOM 190 N THR A 12 -2.401 10.804 -5.773 1.00 0.14 N ATOM 191 CA THR A 12 -1.327 9.864 -5.357 1.00 0.12 C ATOM 192 C THR A 12 -0.433 10.493 -4.286 1.00 0.13 C ATOM 193 O THR A 12 -0.219 11.706 -4.303 1.00 0.15 O ATOM 194 CB THR A 12 -0.445 9.428 -6.546 1.00 0.14 C ATOM 195 OG1 THR A 12 0.158 8.163 -6.253 1.00 0.14 O ATOM 196 CG2 THR A 12 0.651 10.445 -6.819 1.00 0.20 C ATOM 0 H THR A 12 -2.079 11.605 -6.317 1.00 0.14 H new ATOM 0 HA THR A 12 -1.828 8.985 -4.952 1.00 0.12 H new ATOM 0 HB THR A 12 -1.079 9.352 -7.429 1.00 0.14 H new ATOM 0 HG1 THR A 12 -0.080 7.890 -5.342 1.00 0.14 H new ATOM 0 HG21 THR A 12 1.256 10.111 -7.662 1.00 0.20 H new ATOM 0 HG22 THR A 12 0.202 11.410 -7.055 1.00 0.20 H new ATOM 0 HG23 THR A 12 1.283 10.545 -5.936 1.00 0.20 H new ATOM 204 N ILE A 13 0.088 9.690 -3.341 1.00 0.13 N ATOM 205 CA ILE A 13 0.946 10.289 -2.276 1.00 0.16 C ATOM 206 C ILE A 13 2.375 9.710 -2.306 1.00 0.18 C ATOM 207 O ILE A 13 2.592 8.597 -2.786 1.00 0.18 O ATOM 208 CB ILE A 13 0.383 10.059 -0.837 1.00 0.18 C ATOM 209 CG1 ILE A 13 -1.118 10.395 -0.713 1.00 0.15 C ATOM 210 CG2 ILE A 13 1.161 10.869 0.190 1.00 0.26 C ATOM 211 CD1 ILE A 13 -1.714 9.701 0.482 1.00 0.16 C ATOM 0 H ILE A 13 -0.052 8.681 -3.281 1.00 0.13 H new ATOM 0 HA ILE A 13 0.956 11.357 -2.494 1.00 0.16 H new ATOM 0 HB ILE A 13 0.503 8.994 -0.640 1.00 0.18 H new ATOM 0 HG12 ILE A 13 -1.249 11.473 -0.618 1.00 0.15 H new ATOM 0 HG13 ILE A 13 -1.642 10.088 -1.618 1.00 0.15 H new ATOM 0 HG21 ILE A 13 0.748 10.690 1.183 1.00 0.26 H new ATOM 0 HG22 ILE A 13 2.209 10.568 0.173 1.00 0.26 H new ATOM 0 HG23 ILE A 13 1.084 11.930 -0.049 1.00 0.26 H new ATOM 0 HD11 ILE A 13 -2.773 9.948 0.556 1.00 0.16 H new ATOM 0 HD12 ILE A 13 -1.600 8.623 0.371 1.00 0.16 H new ATOM 0 HD13 ILE A 13 -1.201 10.029 1.386 1.00 0.16 H new ATOM 223 N THR A 14 3.344 10.483 -1.788 1.00 0.20 N ATOM 224 CA THR A 14 4.758 10.038 -1.728 1.00 0.24 C ATOM 225 C THR A 14 5.037 9.521 -0.297 1.00 0.25 C ATOM 226 O THR A 14 4.887 10.277 0.665 1.00 0.26 O ATOM 227 CB THR A 14 5.752 11.183 -2.132 1.00 0.29 C ATOM 228 OG1 THR A 14 6.449 10.803 -3.323 1.00 0.49 O ATOM 229 CG2 THR A 14 6.774 11.475 -1.037 1.00 0.63 C ATOM 0 H THR A 14 3.182 11.415 -1.405 1.00 0.20 H new ATOM 0 HA THR A 14 4.918 9.237 -2.450 1.00 0.24 H new ATOM 0 HB THR A 14 5.164 12.087 -2.293 1.00 0.29 H new ATOM 0 HG1 THR A 14 6.734 9.868 -3.251 1.00 0.49 H new ATOM 0 HG21 THR A 14 7.439 12.274 -1.364 1.00 0.63 H new ATOM 0 HG22 THR A 14 6.256 11.783 -0.129 1.00 0.63 H new ATOM 0 HG23 THR A 14 7.358 10.577 -0.835 1.00 0.63 H new ATOM 237 N LEU A 15 5.409 8.234 -0.129 1.00 0.26 N ATOM 238 CA LEU A 15 5.638 7.691 1.218 1.00 0.30 C ATOM 239 C LEU A 15 7.085 7.196 1.414 1.00 0.32 C ATOM 240 O LEU A 15 7.726 6.695 0.475 1.00 0.30 O ATOM 241 CB LEU A 15 4.658 6.528 1.520 1.00 0.30 C ATOM 242 CG LEU A 15 4.277 6.374 2.987 1.00 0.35 C ATOM 243 CD1 LEU A 15 3.530 7.590 3.476 1.00 0.67 C ATOM 244 CD2 LEU A 15 3.392 5.176 3.154 1.00 0.66 C ATOM 0 H LEU A 15 5.553 7.570 -0.890 1.00 0.26 H new ATOM 0 HA LEU A 15 5.462 8.512 1.913 1.00 0.30 H new ATOM 0 HB2 LEU A 15 3.749 6.678 0.938 1.00 0.30 H new ATOM 0 HB3 LEU A 15 5.107 5.596 1.177 1.00 0.30 H new ATOM 0 HG LEU A 15 5.193 6.256 3.565 1.00 0.35 H new ATOM 0 HD11 LEU A 15 3.268 7.458 4.526 1.00 0.67 H new ATOM 0 HD12 LEU A 15 4.161 8.472 3.367 1.00 0.67 H new ATOM 0 HD13 LEU A 15 2.621 7.719 2.889 1.00 0.67 H new ATOM 0 HD21 LEU A 15 3.121 5.068 4.204 1.00 0.66 H new ATOM 0 HD22 LEU A 15 2.489 5.305 2.557 1.00 0.66 H new ATOM 0 HD23 LEU A 15 3.922 4.283 2.822 1.00 0.66 H new ATOM 256 N GLU A 16 7.538 7.282 2.678 1.00 0.37 N ATOM 257 CA GLU A 16 8.896 6.878 3.082 1.00 0.40 C ATOM 258 C GLU A 16 8.760 5.473 3.680 1.00 0.39 C ATOM 259 O GLU A 16 8.087 5.316 4.699 1.00 0.42 O ATOM 260 CB GLU A 16 9.482 7.868 4.154 1.00 0.45 C ATOM 261 CG GLU A 16 10.962 7.552 4.584 1.00 0.48 C ATOM 262 CD GLU A 16 11.027 6.441 5.614 1.00 0.48 C ATOM 263 OE1 GLU A 16 10.841 6.731 6.814 1.00 0.51 O ATOM 264 OE2 GLU A 16 11.263 5.280 5.220 1.00 0.46 O ATOM 0 H GLU A 16 6.971 7.634 3.449 1.00 0.37 H new ATOM 0 HA GLU A 16 9.577 6.892 2.231 1.00 0.40 H new ATOM 0 HB2 GLU A 16 9.440 8.882 3.757 1.00 0.45 H new ATOM 0 HB3 GLU A 16 8.846 7.845 5.039 1.00 0.45 H new ATOM 0 HG2 GLU A 16 11.542 7.267 3.706 1.00 0.48 H new ATOM 0 HG3 GLU A 16 11.422 8.452 4.992 1.00 0.48 H new ATOM 271 N VAL A 17 9.376 4.445 3.085 1.00 0.37 N ATOM 272 CA VAL A 17 9.145 3.070 3.598 1.00 0.35 C ATOM 273 C VAL A 17 10.443 2.339 3.833 1.00 0.34 C ATOM 274 O VAL A 17 11.481 2.866 3.555 1.00 0.35 O ATOM 275 CB VAL A 17 8.301 2.221 2.601 1.00 0.35 C ATOM 276 CG1 VAL A 17 6.919 2.791 2.447 1.00 0.34 C ATOM 277 CG2 VAL A 17 8.972 2.175 1.247 1.00 0.39 C ATOM 0 H VAL A 17 10.009 4.518 2.288 1.00 0.37 H new ATOM 0 HA VAL A 17 8.607 3.188 4.539 1.00 0.35 H new ATOM 0 HB VAL A 17 8.226 1.212 3.005 1.00 0.35 H new ATOM 0 HG11 VAL A 17 6.350 2.181 1.746 1.00 0.34 H new ATOM 0 HG12 VAL A 17 6.417 2.796 3.415 1.00 0.34 H new ATOM 0 HG13 VAL A 17 6.986 3.811 2.068 1.00 0.34 H new ATOM 0 HG21 VAL A 17 8.369 1.578 0.562 1.00 0.39 H new ATOM 0 HG22 VAL A 17 9.071 3.187 0.855 1.00 0.39 H new ATOM 0 HG23 VAL A 17 9.960 1.726 1.346 1.00 0.39 H new ATOM 287 N GLU A 18 10.400 1.185 4.473 1.00 0.34 N ATOM 288 CA GLU A 18 11.628 0.415 4.651 1.00 0.37 C ATOM 289 C GLU A 18 11.311 -1.080 4.467 1.00 0.41 C ATOM 290 O GLU A 18 10.343 -1.579 5.037 1.00 0.38 O ATOM 291 CB GLU A 18 12.285 0.675 6.033 1.00 0.36 C ATOM 292 CG GLU A 18 11.378 0.418 7.271 1.00 0.36 C ATOM 293 CD GLU A 18 10.805 1.709 7.821 1.00 0.46 C ATOM 294 OE1 GLU A 18 9.744 2.146 7.330 1.00 0.51 O ATOM 295 OE2 GLU A 18 11.421 2.284 8.744 1.00 0.59 O ATOM 0 H GLU A 18 9.559 0.766 4.869 1.00 0.34 H new ATOM 0 HA GLU A 18 12.350 0.735 3.900 1.00 0.37 H new ATOM 0 HB2 GLU A 18 13.171 0.045 6.118 1.00 0.36 H new ATOM 0 HB3 GLU A 18 12.625 1.710 6.064 1.00 0.36 H new ATOM 0 HG2 GLU A 18 10.565 -0.253 6.994 1.00 0.36 H new ATOM 0 HG3 GLU A 18 11.955 -0.084 8.047 1.00 0.36 H new ATOM 302 N SER A 19 12.134 -1.788 3.678 1.00 0.48 N ATOM 303 CA SER A 19 11.921 -3.204 3.373 1.00 0.56 C ATOM 304 C SER A 19 11.577 -4.075 4.593 1.00 0.55 C ATOM 305 O SER A 19 11.022 -5.161 4.431 1.00 0.59 O ATOM 306 CB SER A 19 13.133 -3.780 2.642 1.00 0.68 C ATOM 307 OG SER A 19 12.742 -4.847 1.801 1.00 1.16 O ATOM 0 H SER A 19 12.964 -1.392 3.236 1.00 0.48 H new ATOM 0 HA SER A 19 11.042 -3.233 2.730 1.00 0.56 H new ATOM 0 HB2 SER A 19 13.613 -3.000 2.051 1.00 0.68 H new ATOM 0 HB3 SER A 19 13.869 -4.130 3.366 1.00 0.68 H new ATOM 0 HG SER A 19 11.824 -4.700 1.491 1.00 1.16 H new ATOM 313 N SER A 20 11.906 -3.620 5.804 1.00 0.52 N ATOM 314 CA SER A 20 11.660 -4.429 7.010 1.00 0.53 C ATOM 315 C SER A 20 10.334 -4.089 7.708 1.00 0.45 C ATOM 316 O SER A 20 9.805 -4.918 8.449 1.00 0.47 O ATOM 317 CB SER A 20 12.835 -4.301 8.019 1.00 0.60 C ATOM 318 OG SER A 20 12.685 -3.125 8.796 1.00 0.55 O ATOM 0 H SER A 20 12.336 -2.712 5.980 1.00 0.52 H new ATOM 0 HA SER A 20 11.587 -5.461 6.666 1.00 0.53 H new ATOM 0 HB2 SER A 20 12.862 -5.175 8.670 1.00 0.60 H new ATOM 0 HB3 SER A 20 13.784 -4.273 7.483 1.00 0.60 H new ATOM 0 HG SER A 20 13.429 -3.054 9.430 1.00 0.55 H new ATOM 324 N ASP A 21 9.791 -2.892 7.489 1.00 0.37 N ATOM 325 CA ASP A 21 8.519 -2.521 8.170 1.00 0.32 C ATOM 326 C ASP A 21 7.354 -3.334 7.593 1.00 0.26 C ATOM 327 O ASP A 21 7.349 -3.680 6.411 1.00 0.25 O ATOM 328 CB ASP A 21 8.174 -1.001 8.015 1.00 0.32 C ATOM 329 CG ASP A 21 7.299 -0.510 9.151 1.00 0.58 C ATOM 330 OD1 ASP A 21 7.723 -0.630 10.319 1.00 1.01 O ATOM 331 OD2 ASP A 21 6.188 -0.012 8.873 1.00 1.20 O ATOM 0 H ASP A 21 10.181 -2.178 6.874 1.00 0.37 H new ATOM 0 HA ASP A 21 8.662 -2.738 9.229 1.00 0.32 H new ATOM 0 HB2 ASP A 21 9.095 -0.419 7.987 1.00 0.32 H new ATOM 0 HB3 ASP A 21 7.664 -0.838 7.065 1.00 0.32 H new ATOM 336 N THR A 22 6.365 -3.634 8.445 1.00 0.24 N ATOM 337 CA THR A 22 5.193 -4.407 8.037 1.00 0.20 C ATOM 338 C THR A 22 4.257 -3.565 7.149 1.00 0.19 C ATOM 339 O THR A 22 4.085 -2.371 7.402 1.00 0.20 O ATOM 340 CB THR A 22 4.407 -4.898 9.267 1.00 0.20 C ATOM 341 OG1 THR A 22 5.305 -5.464 10.229 1.00 0.93 O ATOM 342 CG2 THR A 22 3.375 -5.939 8.865 1.00 0.90 C ATOM 0 H THR A 22 6.357 -3.350 9.425 1.00 0.24 H new ATOM 0 HA THR A 22 5.552 -5.265 7.468 1.00 0.20 H new ATOM 0 HB THR A 22 3.893 -4.044 9.707 1.00 0.20 H new ATOM 0 HG1 THR A 22 4.797 -5.772 11.009 1.00 0.93 H new ATOM 0 HG21 THR A 22 2.831 -6.272 9.749 1.00 0.90 H new ATOM 0 HG22 THR A 22 2.676 -5.502 8.152 1.00 0.90 H new ATOM 0 HG23 THR A 22 3.877 -6.790 8.405 1.00 0.90 H new ATOM 350 N ILE A 23 3.649 -4.172 6.111 1.00 0.20 N ATOM 351 CA ILE A 23 2.761 -3.429 5.214 1.00 0.22 C ATOM 352 C ILE A 23 1.596 -2.772 5.982 1.00 0.21 C ATOM 353 O ILE A 23 1.167 -1.685 5.599 1.00 0.22 O ATOM 354 CB ILE A 23 2.177 -4.312 4.070 1.00 0.26 C ATOM 355 CG1 ILE A 23 3.039 -5.558 3.840 1.00 0.40 C ATOM 356 CG2 ILE A 23 2.071 -3.499 2.788 1.00 0.42 C ATOM 357 CD1 ILE A 23 4.451 -5.263 3.379 1.00 1.40 C ATOM 0 H ILE A 23 3.758 -5.160 5.880 1.00 0.20 H new ATOM 0 HA ILE A 23 3.386 -2.657 4.765 1.00 0.22 H new ATOM 0 HB ILE A 23 1.181 -4.642 4.367 1.00 0.26 H new ATOM 0 HG12 ILE A 23 3.084 -6.130 4.767 1.00 0.40 H new ATOM 0 HG13 ILE A 23 2.552 -6.191 3.098 1.00 0.40 H new ATOM 0 HG21 ILE A 23 1.662 -4.124 1.994 1.00 0.42 H new ATOM 0 HG22 ILE A 23 1.414 -2.645 2.952 1.00 0.42 H new ATOM 0 HG23 ILE A 23 3.061 -3.146 2.498 1.00 0.42 H new ATOM 0 HD11 ILE A 23 4.992 -6.199 3.240 1.00 1.40 H new ATOM 0 HD12 ILE A 23 4.419 -4.719 2.435 1.00 1.40 H new ATOM 0 HD13 ILE A 23 4.960 -4.658 4.129 1.00 1.40 H new ATOM 369 N ASP A 24 1.064 -3.400 7.068 1.00 0.19 N ATOM 370 CA ASP A 24 -0.056 -2.766 7.791 1.00 0.19 C ATOM 371 C ASP A 24 0.357 -1.401 8.356 1.00 0.17 C ATOM 372 O ASP A 24 -0.377 -0.412 8.218 1.00 0.17 O ATOM 373 CB ASP A 24 -0.534 -3.675 8.924 1.00 0.20 C ATOM 374 CG ASP A 24 -1.671 -3.062 9.718 1.00 0.99 C ATOM 375 OD1 ASP A 24 -2.829 -3.137 9.254 1.00 1.80 O ATOM 376 OD2 ASP A 24 -1.404 -2.503 10.804 1.00 0.94 O ATOM 0 H ASP A 24 1.377 -4.296 7.441 1.00 0.19 H new ATOM 0 HA ASP A 24 -0.872 -2.613 7.085 1.00 0.19 H new ATOM 0 HB2 ASP A 24 -0.858 -4.629 8.508 1.00 0.20 H new ATOM 0 HB3 ASP A 24 0.300 -3.886 9.593 1.00 0.20 H new ATOM 381 N ASN A 25 1.532 -1.341 8.977 1.00 0.17 N ATOM 382 CA ASN A 25 2.039 -0.077 9.520 1.00 0.18 C ATOM 383 C ASN A 25 2.030 1.013 8.442 1.00 0.18 C ATOM 384 O ASN A 25 1.642 2.154 8.717 1.00 0.18 O ATOM 385 CB ASN A 25 3.451 -0.236 10.159 1.00 0.20 C ATOM 386 CG ASN A 25 4.019 1.113 10.680 1.00 0.22 C ATOM 387 OD1 ASN A 25 4.089 1.318 11.891 1.00 0.24 O ATOM 388 ND2 ASN A 25 4.415 2.055 9.775 1.00 0.25 N ATOM 0 H ASN A 25 2.148 -2.142 9.118 1.00 0.17 H new ATOM 0 HA ASN A 25 1.368 0.229 10.323 1.00 0.18 H new ATOM 0 HB2 ASN A 25 3.396 -0.947 10.983 1.00 0.20 H new ATOM 0 HB3 ASN A 25 4.136 -0.655 9.422 1.00 0.20 H new ATOM 0 HD21 ASN A 25 4.778 2.952 10.098 1.00 0.25 H new ATOM 0 HD22 ASN A 25 4.348 1.862 8.776 1.00 0.25 H new ATOM 395 N VAL A 26 2.442 0.685 7.209 1.00 0.20 N ATOM 396 CA VAL A 26 2.476 1.701 6.175 1.00 0.22 C ATOM 397 C VAL A 26 1.058 2.107 5.789 1.00 0.20 C ATOM 398 O VAL A 26 0.792 3.281 5.491 1.00 0.20 O ATOM 399 CB VAL A 26 3.219 1.216 4.912 1.00 0.28 C ATOM 400 CG1 VAL A 26 4.292 2.209 4.535 1.00 0.37 C ATOM 401 CG2 VAL A 26 3.838 -0.153 5.124 1.00 0.24 C ATOM 0 H VAL A 26 2.744 -0.245 6.920 1.00 0.20 H new ATOM 0 HA VAL A 26 3.015 2.556 6.584 1.00 0.22 H new ATOM 0 HB VAL A 26 2.492 1.137 4.104 1.00 0.28 H new ATOM 0 HG11 VAL A 26 4.813 1.861 3.643 1.00 0.37 H new ATOM 0 HG12 VAL A 26 3.836 3.178 4.334 1.00 0.37 H new ATOM 0 HG13 VAL A 26 5.003 2.306 5.356 1.00 0.37 H new ATOM 0 HG21 VAL A 26 4.353 -0.464 4.215 1.00 0.24 H new ATOM 0 HG22 VAL A 26 4.551 -0.106 5.947 1.00 0.24 H new ATOM 0 HG23 VAL A 26 3.055 -0.873 5.362 1.00 0.24 H new ATOM 411 N LYS A 27 0.139 1.140 5.828 1.00 0.19 N ATOM 412 CA LYS A 27 -1.256 1.427 5.525 1.00 0.20 C ATOM 413 C LYS A 27 -1.785 2.456 6.507 1.00 0.18 C ATOM 414 O LYS A 27 -2.699 3.217 6.191 1.00 0.18 O ATOM 415 CB LYS A 27 -2.141 0.166 5.562 1.00 0.25 C ATOM 416 CG LYS A 27 -1.693 -0.912 4.590 1.00 0.60 C ATOM 417 CD LYS A 27 -2.701 -2.047 4.519 1.00 1.21 C ATOM 418 CE LYS A 27 -2.266 -3.117 3.532 1.00 2.13 C ATOM 419 NZ LYS A 27 -2.110 -2.571 2.157 1.00 2.91 N ATOM 0 H LYS A 27 0.335 0.167 6.063 1.00 0.19 H new ATOM 0 HA LYS A 27 -1.297 1.817 4.508 1.00 0.20 H new ATOM 0 HB2 LYS A 27 -2.138 -0.242 6.573 1.00 0.25 H new ATOM 0 HB3 LYS A 27 -3.170 0.446 5.334 1.00 0.25 H new ATOM 0 HG2 LYS A 27 -1.561 -0.478 3.599 1.00 0.60 H new ATOM 0 HG3 LYS A 27 -0.724 -1.303 4.899 1.00 0.60 H new ATOM 0 HD2 LYS A 27 -2.822 -2.490 5.508 1.00 1.21 H new ATOM 0 HD3 LYS A 27 -3.674 -1.653 4.225 1.00 1.21 H new ATOM 0 HE2 LYS A 27 -1.321 -3.551 3.860 1.00 2.13 H new ATOM 0 HE3 LYS A 27 -3.001 -3.922 3.522 1.00 2.13 H new ATOM 0 HZ1 LYS A 27 -2.014 -3.355 1.481 1.00 2.91 H new ATOM 0 HZ2 LYS A 27 -2.946 -2.003 1.912 1.00 2.91 H new ATOM 0 HZ3 LYS A 27 -1.261 -1.972 2.116 1.00 2.91 H new ATOM 433 N SER A 28 -1.227 2.464 7.720 1.00 0.17 N ATOM 434 CA SER A 28 -1.699 3.427 8.721 1.00 0.18 C ATOM 435 C SER A 28 -1.004 4.788 8.611 1.00 0.18 C ATOM 436 O SER A 28 -1.657 5.801 8.860 1.00 0.19 O ATOM 437 CB SER A 28 -1.586 2.885 10.170 1.00 0.21 C ATOM 438 OG SER A 28 -0.364 2.196 10.365 1.00 0.22 O ATOM 0 H SER A 28 -0.478 1.843 8.026 1.00 0.17 H new ATOM 0 HA SER A 28 -2.756 3.573 8.497 1.00 0.18 H new ATOM 0 HB2 SER A 28 -1.657 3.712 10.877 1.00 0.21 H new ATOM 0 HB3 SER A 28 -2.421 2.216 10.377 1.00 0.21 H new ATOM 0 HG SER A 28 0.316 2.559 9.760 1.00 0.22 H new ATOM 444 N LYS A 29 0.298 4.867 8.253 1.00 0.19 N ATOM 445 CA LYS A 29 0.889 6.211 8.152 1.00 0.21 C ATOM 446 C LYS A 29 0.149 6.953 7.048 1.00 0.19 C ATOM 447 O LYS A 29 -0.066 8.172 7.107 1.00 0.20 O ATOM 448 CB LYS A 29 2.434 6.210 7.856 1.00 0.25 C ATOM 449 CG LYS A 29 3.152 7.573 8.192 1.00 0.30 C ATOM 450 CD LYS A 29 4.674 7.444 8.485 1.00 0.36 C ATOM 451 CE LYS A 29 5.030 6.127 9.163 1.00 0.56 C ATOM 452 NZ LYS A 29 4.283 5.937 10.436 1.00 1.71 N ATOM 0 H LYS A 29 0.915 4.082 8.045 1.00 0.19 H new ATOM 0 HA LYS A 29 0.781 6.700 9.120 1.00 0.21 H new ATOM 0 HB2 LYS A 29 2.903 5.412 8.432 1.00 0.25 H new ATOM 0 HB3 LYS A 29 2.592 5.978 6.803 1.00 0.25 H new ATOM 0 HG2 LYS A 29 3.012 8.259 7.356 1.00 0.30 H new ATOM 0 HG3 LYS A 29 2.665 8.022 9.057 1.00 0.30 H new ATOM 0 HD2 LYS A 29 5.229 7.529 7.551 1.00 0.36 H new ATOM 0 HD3 LYS A 29 4.990 8.272 9.120 1.00 0.36 H new ATOM 0 HE2 LYS A 29 4.811 5.300 8.487 1.00 0.56 H new ATOM 0 HE3 LYS A 29 6.101 6.100 9.363 1.00 0.56 H new ATOM 0 HZ1 LYS A 29 4.956 5.866 11.226 1.00 1.71 H new ATOM 0 HZ2 LYS A 29 3.651 6.748 10.592 1.00 1.71 H new ATOM 0 HZ3 LYS A 29 3.720 5.064 10.381 1.00 1.71 H new ATOM 466 N ILE A 30 -0.277 6.176 6.054 1.00 0.17 N ATOM 467 CA ILE A 30 -1.033 6.747 4.953 1.00 0.17 C ATOM 468 C ILE A 30 -2.439 7.119 5.471 1.00 0.16 C ATOM 469 O ILE A 30 -2.877 8.239 5.224 1.00 0.17 O ATOM 470 CB ILE A 30 -1.107 5.801 3.692 1.00 0.19 C ATOM 471 CG1 ILE A 30 -1.141 6.643 2.416 1.00 0.81 C ATOM 472 CG2 ILE A 30 -2.336 4.907 3.748 1.00 0.76 C ATOM 473 CD1 ILE A 30 -0.835 5.854 1.161 1.00 0.92 C ATOM 0 H ILE A 30 -0.114 5.171 5.992 1.00 0.17 H new ATOM 0 HA ILE A 30 -0.514 7.639 4.603 1.00 0.17 H new ATOM 0 HB ILE A 30 -0.221 5.166 3.690 1.00 0.19 H new ATOM 0 HG12 ILE A 30 -2.126 7.099 2.317 1.00 0.81 H new ATOM 0 HG13 ILE A 30 -0.421 7.457 2.508 1.00 0.81 H new ATOM 0 HG21 ILE A 30 -2.360 4.266 2.866 1.00 0.76 H new ATOM 0 HG22 ILE A 30 -2.296 4.289 4.645 1.00 0.76 H new ATOM 0 HG23 ILE A 30 -3.234 5.524 3.773 1.00 0.76 H new ATOM 0 HD11 ILE A 30 -0.877 6.516 0.296 1.00 0.92 H new ATOM 0 HD12 ILE A 30 0.162 5.420 1.238 1.00 0.92 H new ATOM 0 HD13 ILE A 30 -1.569 5.057 1.044 1.00 0.92 H new ATOM 485 N GLN A 31 -3.168 6.219 6.201 1.00 0.17 N ATOM 486 CA GLN A 31 -4.484 6.638 6.719 1.00 0.19 C ATOM 487 C GLN A 31 -4.346 8.013 7.435 1.00 0.20 C ATOM 488 O GLN A 31 -5.216 8.864 7.297 1.00 0.22 O ATOM 489 CB GLN A 31 -5.180 5.510 7.637 1.00 0.22 C ATOM 490 CG GLN A 31 -6.212 6.024 8.698 1.00 0.32 C ATOM 491 CD GLN A 31 -5.551 6.760 9.851 1.00 1.09 C ATOM 492 OE1 GLN A 31 -5.483 7.988 9.867 1.00 1.33 O ATOM 493 NE2 GLN A 31 -5.058 6.005 10.827 1.00 2.22 N ATOM 0 H GLN A 31 -2.882 5.266 6.426 1.00 0.17 H new ATOM 0 HA GLN A 31 -5.165 6.762 5.877 1.00 0.19 H new ATOM 0 HB2 GLN A 31 -5.686 4.800 6.983 1.00 0.22 H new ATOM 0 HB3 GLN A 31 -4.396 4.961 8.159 1.00 0.22 H new ATOM 0 HG2 GLN A 31 -6.927 6.687 8.211 1.00 0.32 H new ATOM 0 HG3 GLN A 31 -6.777 5.178 9.089 1.00 0.32 H new ATOM 0 HE21 GLN A 31 -5.135 4.989 10.775 1.00 2.22 H new ATOM 0 HE22 GLN A 31 -4.602 6.441 11.628 1.00 2.22 H new ATOM 502 N ASP A 32 -3.260 8.241 8.213 1.00 0.20 N ATOM 503 CA ASP A 32 -3.053 9.528 8.883 1.00 0.22 C ATOM 504 C ASP A 32 -2.941 10.671 7.881 1.00 0.21 C ATOM 505 O ASP A 32 -3.530 11.735 8.069 1.00 0.22 O ATOM 506 CB ASP A 32 -1.794 9.478 9.756 1.00 0.23 C ATOM 507 CG ASP A 32 -1.942 8.528 10.930 1.00 0.25 C ATOM 508 OD1 ASP A 32 -2.689 8.862 11.873 1.00 0.27 O ATOM 509 OD2 ASP A 32 -1.312 7.449 10.904 1.00 0.36 O ATOM 0 H ASP A 32 -2.527 7.553 8.385 1.00 0.20 H new ATOM 0 HA ASP A 32 -3.923 9.714 9.512 1.00 0.22 H new ATOM 0 HB2 ASP A 32 -0.945 9.169 9.147 1.00 0.23 H new ATOM 0 HB3 ASP A 32 -1.573 10.479 10.127 1.00 0.23 H new ATOM 514 N LYS A 33 -2.177 10.442 6.815 1.00 0.19 N ATOM 515 CA LYS A 33 -1.960 11.509 5.794 1.00 0.19 C ATOM 516 C LYS A 33 -3.221 11.782 4.958 1.00 0.18 C ATOM 517 O LYS A 33 -3.729 12.904 4.974 1.00 0.19 O ATOM 518 CB LYS A 33 -0.752 11.202 4.850 1.00 0.22 C ATOM 519 CG LYS A 33 0.114 12.434 4.459 1.00 0.31 C ATOM 520 CD LYS A 33 0.890 12.239 3.131 1.00 0.39 C ATOM 521 CE LYS A 33 1.923 13.354 2.873 1.00 0.81 C ATOM 522 NZ LYS A 33 1.457 14.671 3.391 1.00 1.81 N ATOM 0 H LYS A 33 -1.703 9.560 6.623 1.00 0.19 H new ATOM 0 HA LYS A 33 -1.723 12.408 6.362 1.00 0.19 H new ATOM 0 HB2 LYS A 33 -0.110 10.466 5.335 1.00 0.22 H new ATOM 0 HB3 LYS A 33 -1.132 10.741 3.938 1.00 0.22 H new ATOM 0 HG2 LYS A 33 -0.530 13.309 4.371 1.00 0.31 H new ATOM 0 HG3 LYS A 33 0.824 12.640 5.260 1.00 0.31 H new ATOM 0 HD2 LYS A 33 1.400 11.276 3.151 1.00 0.39 H new ATOM 0 HD3 LYS A 33 0.182 12.208 2.303 1.00 0.39 H new ATOM 0 HE2 LYS A 33 2.868 13.091 3.348 1.00 0.81 H new ATOM 0 HE3 LYS A 33 2.114 13.432 1.803 1.00 0.81 H new ATOM 0 HZ1 LYS A 33 2.041 15.430 2.986 1.00 1.81 H new ATOM 0 HZ2 LYS A 33 0.463 14.818 3.122 1.00 1.81 H new ATOM 0 HZ3 LYS A 33 1.541 14.686 4.427 1.00 1.81 H new ATOM 536 N GLU A 34 -3.736 10.784 4.228 1.00 0.17 N ATOM 537 CA GLU A 34 -4.932 11.032 3.382 1.00 0.18 C ATOM 538 C GLU A 34 -6.207 10.365 3.936 1.00 0.21 C ATOM 539 O GLU A 34 -7.306 10.742 3.528 1.00 0.24 O ATOM 540 CB GLU A 34 -4.711 10.699 1.862 1.00 0.22 C ATOM 541 CG GLU A 34 -5.109 9.268 1.364 1.00 0.65 C ATOM 542 CD GLU A 34 -4.539 8.182 2.249 1.00 1.79 C ATOM 543 OE1 GLU A 34 -3.522 8.442 2.917 1.00 2.29 O ATOM 544 OE2 GLU A 34 -5.101 7.072 2.262 1.00 2.37 O ATOM 0 H GLU A 34 -3.369 9.833 4.198 1.00 0.17 H new ATOM 0 HA GLU A 34 -5.090 12.109 3.433 1.00 0.18 H new ATOM 0 HB2 GLU A 34 -5.271 11.426 1.275 1.00 0.22 H new ATOM 0 HB3 GLU A 34 -3.656 10.851 1.635 1.00 0.22 H new ATOM 0 HG2 GLU A 34 -6.195 9.182 1.338 1.00 0.65 H new ATOM 0 HG3 GLU A 34 -4.754 9.127 0.343 1.00 0.65 H new ATOM 551 N GLY A 35 -6.097 9.384 4.857 1.00 0.22 N ATOM 552 CA GLY A 35 -7.312 8.808 5.429 1.00 0.26 C ATOM 553 C GLY A 35 -7.849 7.488 4.809 1.00 0.29 C ATOM 554 O GLY A 35 -9.003 7.165 5.093 1.00 0.35 O ATOM 0 H GLY A 35 -5.219 8.995 5.202 1.00 0.22 H new ATOM 0 HA2 GLY A 35 -7.132 8.631 6.489 1.00 0.26 H new ATOM 0 HA3 GLY A 35 -8.102 9.556 5.360 1.00 0.26 H new ATOM 558 N ILE A 36 -7.107 6.684 3.975 1.00 0.27 N ATOM 559 CA ILE A 36 -7.745 5.448 3.460 1.00 0.32 C ATOM 560 C ILE A 36 -7.735 4.387 4.570 1.00 0.31 C ATOM 561 O ILE A 36 -6.674 4.056 5.099 1.00 0.26 O ATOM 562 CB ILE A 36 -7.078 4.868 2.151 1.00 0.34 C ATOM 563 CG1 ILE A 36 -8.024 3.922 1.448 1.00 0.42 C ATOM 564 CG2 ILE A 36 -5.758 4.123 2.426 1.00 0.30 C ATOM 565 CD1 ILE A 36 -7.529 3.519 0.080 1.00 0.95 C ATOM 0 H ILE A 36 -6.148 6.857 3.672 1.00 0.27 H new ATOM 0 HA ILE A 36 -8.763 5.714 3.174 1.00 0.32 H new ATOM 0 HB ILE A 36 -6.856 5.730 1.522 1.00 0.34 H new ATOM 0 HG12 ILE A 36 -8.160 3.030 2.059 1.00 0.42 H new ATOM 0 HG13 ILE A 36 -9.001 4.395 1.352 1.00 0.42 H new ATOM 0 HG21 ILE A 36 -5.349 3.748 1.488 1.00 0.30 H new ATOM 0 HG22 ILE A 36 -5.044 4.806 2.886 1.00 0.30 H new ATOM 0 HG23 ILE A 36 -5.946 3.287 3.099 1.00 0.30 H new ATOM 0 HD11 ILE A 36 -8.246 2.839 -0.381 1.00 0.95 H new ATOM 0 HD12 ILE A 36 -7.418 4.407 -0.543 1.00 0.95 H new ATOM 0 HD13 ILE A 36 -6.565 3.020 0.175 1.00 0.95 H new ATOM 577 N PRO A 37 -8.908 3.865 4.987 1.00 0.37 N ATOM 578 CA PRO A 37 -8.960 2.835 6.040 1.00 0.39 C ATOM 579 C PRO A 37 -8.082 1.633 5.653 1.00 0.36 C ATOM 580 O PRO A 37 -8.293 1.040 4.593 1.00 0.35 O ATOM 581 CB PRO A 37 -10.470 2.428 6.030 1.00 0.45 C ATOM 582 CG PRO A 37 -11.156 3.665 5.572 1.00 0.49 C ATOM 583 CD PRO A 37 -10.255 4.246 4.516 1.00 0.45 C ATOM 0 HA PRO A 37 -8.601 3.177 7.011 1.00 0.39 H new ATOM 0 HB2 PRO A 37 -10.657 1.592 5.356 1.00 0.45 H new ATOM 0 HB3 PRO A 37 -10.811 2.122 7.019 1.00 0.45 H new ATOM 0 HG2 PRO A 37 -12.143 3.441 5.168 1.00 0.49 H new ATOM 0 HG3 PRO A 37 -11.299 4.364 6.396 1.00 0.49 H new ATOM 0 HD2 PRO A 37 -10.470 3.834 3.530 1.00 0.45 H new ATOM 0 HD3 PRO A 37 -10.366 5.328 4.441 1.00 0.45 H new ATOM 591 N PRO A 38 -7.111 1.216 6.507 1.00 0.35 N ATOM 592 CA PRO A 38 -6.231 0.095 6.161 1.00 0.33 C ATOM 593 C PRO A 38 -6.993 -1.205 5.818 1.00 0.32 C ATOM 594 O PRO A 38 -6.614 -1.886 4.865 1.00 0.32 O ATOM 595 CB PRO A 38 -5.264 -0.063 7.383 1.00 0.34 C ATOM 596 CG PRO A 38 -5.988 0.688 8.546 1.00 0.36 C ATOM 597 CD PRO A 38 -6.802 1.798 7.832 1.00 0.38 C ATOM 0 HA PRO A 38 -5.681 0.300 5.243 1.00 0.33 H new ATOM 0 HB2 PRO A 38 -5.100 -1.112 7.628 1.00 0.34 H new ATOM 0 HB3 PRO A 38 -4.286 0.372 7.176 1.00 0.34 H new ATOM 0 HG2 PRO A 38 -6.637 0.018 9.110 1.00 0.36 H new ATOM 0 HG3 PRO A 38 -5.274 1.110 9.253 1.00 0.36 H new ATOM 0 HD2 PRO A 38 -7.710 2.044 8.382 1.00 0.38 H new ATOM 0 HD3 PRO A 38 -6.226 2.719 7.739 1.00 0.38 H new ATOM 605 N ASP A 39 -8.050 -1.572 6.566 1.00 0.32 N ATOM 606 CA ASP A 39 -8.777 -2.808 6.257 1.00 0.35 C ATOM 607 C ASP A 39 -9.639 -2.669 5.003 1.00 0.37 C ATOM 608 O ASP A 39 -10.018 -3.670 4.395 1.00 0.40 O ATOM 609 CB ASP A 39 -9.654 -3.254 7.441 1.00 0.39 C ATOM 610 CG ASP A 39 -10.263 -4.625 7.215 1.00 0.45 C ATOM 611 OD1 ASP A 39 -9.612 -5.630 7.571 1.00 0.47 O ATOM 612 OD2 ASP A 39 -11.390 -4.692 6.683 1.00 0.49 O ATOM 0 H ASP A 39 -8.408 -1.047 7.363 1.00 0.32 H new ATOM 0 HA ASP A 39 -8.021 -3.570 6.069 1.00 0.35 H new ATOM 0 HB2 ASP A 39 -9.054 -3.270 8.351 1.00 0.39 H new ATOM 0 HB3 ASP A 39 -10.450 -2.526 7.597 1.00 0.39 H new ATOM 617 N GLN A 40 -9.948 -1.432 4.615 1.00 0.37 N ATOM 618 CA GLN A 40 -10.776 -1.198 3.429 1.00 0.40 C ATOM 619 C GLN A 40 -9.893 -0.770 2.249 1.00 0.37 C ATOM 620 O GLN A 40 -10.381 -0.274 1.235 1.00 0.37 O ATOM 621 CB GLN A 40 -11.876 -0.133 3.785 1.00 0.44 C ATOM 622 CG GLN A 40 -12.358 0.813 2.659 1.00 0.91 C ATOM 623 CD GLN A 40 -13.144 0.089 1.580 1.00 1.46 C ATOM 624 OE1 GLN A 40 -12.921 -1.093 1.319 1.00 1.94 O ATOM 625 NE2 GLN A 40 -14.068 0.800 0.946 1.00 2.07 N ATOM 0 H GLN A 40 -9.643 -0.586 5.096 1.00 0.37 H new ATOM 0 HA GLN A 40 -11.282 -2.113 3.122 1.00 0.40 H new ATOM 0 HB2 GLN A 40 -12.746 -0.666 4.169 1.00 0.44 H new ATOM 0 HB3 GLN A 40 -11.494 0.483 4.599 1.00 0.44 H new ATOM 0 HG2 GLN A 40 -12.980 1.597 3.091 1.00 0.91 H new ATOM 0 HG3 GLN A 40 -11.495 1.302 2.207 1.00 0.91 H new ATOM 0 HE21 GLN A 40 -14.219 1.777 1.195 1.00 2.07 H new ATOM 0 HE22 GLN A 40 -14.627 0.369 0.210 1.00 2.07 H new ATOM 634 N GLN A 41 -8.585 -1.007 2.360 1.00 0.35 N ATOM 635 CA GLN A 41 -7.667 -0.601 1.275 1.00 0.32 C ATOM 636 C GLN A 41 -6.807 -1.805 0.826 1.00 0.28 C ATOM 637 O GLN A 41 -6.267 -2.520 1.671 1.00 0.30 O ATOM 638 CB GLN A 41 -6.822 0.641 1.693 1.00 0.40 C ATOM 639 CG GLN A 41 -5.382 0.369 2.321 1.00 0.40 C ATOM 640 CD GLN A 41 -4.275 0.366 1.266 1.00 0.67 C ATOM 641 OE1 GLN A 41 -4.482 -0.116 0.154 1.00 1.17 O ATOM 642 NE2 GLN A 41 -3.084 0.910 1.597 1.00 0.82 N ATOM 0 H GLN A 41 -8.141 -1.462 3.158 1.00 0.35 H new ATOM 0 HA GLN A 41 -8.248 -0.288 0.408 1.00 0.32 H new ATOM 0 HB2 GLN A 41 -6.693 1.272 0.814 1.00 0.40 H new ATOM 0 HB3 GLN A 41 -7.402 1.216 2.415 1.00 0.40 H new ATOM 0 HG2 GLN A 41 -5.165 1.132 3.069 1.00 0.40 H new ATOM 0 HG3 GLN A 41 -5.390 -0.591 2.838 1.00 0.40 H new ATOM 0 HE21 GLN A 41 -2.944 1.302 2.528 1.00 0.82 H new ATOM 0 HE22 GLN A 41 -2.325 0.929 0.916 1.00 0.82 H new ATOM 651 N ARG A 42 -6.674 -2.039 -0.497 1.00 0.24 N ATOM 652 CA ARG A 42 -5.947 -3.218 -0.993 1.00 0.22 C ATOM 653 C ARG A 42 -4.750 -2.835 -1.873 1.00 0.20 C ATOM 654 O ARG A 42 -4.903 -2.295 -2.959 1.00 0.21 O ATOM 655 CB ARG A 42 -6.934 -4.124 -1.824 1.00 0.23 C ATOM 656 CG ARG A 42 -6.285 -5.376 -2.471 1.00 0.26 C ATOM 657 CD ARG A 42 -6.962 -6.692 -2.038 1.00 0.53 C ATOM 658 NE ARG A 42 -8.258 -6.871 -2.687 1.00 0.74 N ATOM 659 CZ ARG A 42 -8.657 -8.016 -3.233 1.00 1.39 C ATOM 660 NH1 ARG A 42 -7.865 -9.080 -3.206 1.00 2.22 N ATOM 661 NH2 ARG A 42 -9.850 -8.100 -3.805 1.00 1.56 N ATOM 0 H ARG A 42 -7.055 -1.436 -1.227 1.00 0.24 H new ATOM 0 HA ARG A 42 -5.562 -3.758 -0.128 1.00 0.22 H new ATOM 0 HB2 ARG A 42 -7.743 -4.449 -1.170 1.00 0.23 H new ATOM 0 HB3 ARG A 42 -7.384 -3.519 -2.611 1.00 0.23 H new ATOM 0 HG2 ARG A 42 -6.336 -5.286 -3.556 1.00 0.26 H new ATOM 0 HG3 ARG A 42 -5.229 -5.411 -2.204 1.00 0.26 H new ATOM 0 HD2 ARG A 42 -6.313 -7.533 -2.283 1.00 0.53 H new ATOM 0 HD3 ARG A 42 -7.093 -6.695 -0.956 1.00 0.53 H new ATOM 0 HE ARG A 42 -8.893 -6.073 -2.724 1.00 0.74 H new ATOM 0 HH11 ARG A 42 -6.947 -9.021 -2.765 1.00 2.22 H new ATOM 0 HH12 ARG A 42 -8.174 -9.957 -3.626 1.00 2.22 H new ATOM 0 HH21 ARG A 42 -10.464 -7.285 -3.827 1.00 1.56 H new ATOM 0 HH22 ARG A 42 -10.154 -8.979 -4.223 1.00 1.56 H new ATOM 675 N LEU A 43 -3.570 -3.199 -1.411 1.00 0.19 N ATOM 676 CA LEU A 43 -2.313 -2.914 -2.157 1.00 0.18 C ATOM 677 C LEU A 43 -1.917 -4.126 -3.009 1.00 0.18 C ATOM 678 O LEU A 43 -1.773 -5.238 -2.498 1.00 0.19 O ATOM 679 CB LEU A 43 -1.125 -2.514 -1.233 1.00 0.19 C ATOM 680 CG LEU A 43 -1.280 -1.188 -0.514 1.00 0.21 C ATOM 681 CD1 LEU A 43 0.046 -0.804 0.098 1.00 0.26 C ATOM 682 CD2 LEU A 43 -1.765 -0.106 -1.462 1.00 0.19 C ATOM 0 H LEU A 43 -3.432 -3.692 -0.529 1.00 0.19 H new ATOM 0 HA LEU A 43 -2.523 -2.055 -2.795 1.00 0.18 H new ATOM 0 HB2 LEU A 43 -0.986 -3.298 -0.489 1.00 0.19 H new ATOM 0 HB3 LEU A 43 -0.216 -2.479 -1.833 1.00 0.19 H new ATOM 0 HG LEU A 43 -2.029 -1.293 0.271 1.00 0.21 H new ATOM 0 HD11 LEU A 43 -0.055 0.149 0.618 1.00 0.26 H new ATOM 0 HD12 LEU A 43 0.356 -1.572 0.806 1.00 0.26 H new ATOM 0 HD13 LEU A 43 0.796 -0.711 -0.688 1.00 0.26 H new ATOM 0 HD21 LEU A 43 -1.867 0.834 -0.920 1.00 0.19 H new ATOM 0 HD22 LEU A 43 -1.045 0.018 -2.271 1.00 0.19 H new ATOM 0 HD23 LEU A 43 -2.731 -0.392 -1.877 1.00 0.19 H new ATOM 694 N ILE A 44 -1.789 -3.904 -4.317 1.00 0.19 N ATOM 695 CA ILE A 44 -1.464 -4.977 -5.268 1.00 0.21 C ATOM 696 C ILE A 44 -0.236 -4.701 -6.181 1.00 0.25 C ATOM 697 O ILE A 44 0.048 -3.555 -6.526 1.00 0.26 O ATOM 698 CB ILE A 44 -2.711 -5.251 -6.150 1.00 0.23 C ATOM 699 CG1 ILE A 44 -2.414 -6.241 -7.287 1.00 0.47 C ATOM 700 CG2 ILE A 44 -3.260 -3.947 -6.718 1.00 0.39 C ATOM 701 CD1 ILE A 44 -3.140 -7.527 -7.066 1.00 0.63 C ATOM 0 H ILE A 44 -1.905 -2.987 -4.748 1.00 0.19 H new ATOM 0 HA ILE A 44 -1.186 -5.842 -4.666 1.00 0.21 H new ATOM 0 HB ILE A 44 -3.463 -5.709 -5.507 1.00 0.23 H new ATOM 0 HG12 ILE A 44 -2.713 -5.808 -8.241 1.00 0.47 H new ATOM 0 HG13 ILE A 44 -1.342 -6.427 -7.344 1.00 0.47 H new ATOM 0 HG21 ILE A 44 -4.134 -4.158 -7.334 1.00 0.39 H new ATOM 0 HG22 ILE A 44 -3.544 -3.285 -5.900 1.00 0.39 H new ATOM 0 HG23 ILE A 44 -2.495 -3.465 -7.327 1.00 0.39 H new ATOM 0 HD11 ILE A 44 -2.917 -8.215 -7.881 1.00 0.63 H new ATOM 0 HD12 ILE A 44 -2.820 -7.968 -6.122 1.00 0.63 H new ATOM 0 HD13 ILE A 44 -4.213 -7.338 -7.034 1.00 0.63 H new ATOM 713 N PHE A 45 0.477 -5.788 -6.564 1.00 0.28 N ATOM 714 CA PHE A 45 1.675 -5.699 -7.491 1.00 0.35 C ATOM 715 C PHE A 45 1.576 -6.823 -8.562 1.00 0.38 C ATOM 716 O PHE A 45 1.580 -8.003 -8.211 1.00 0.38 O ATOM 717 CB PHE A 45 3.075 -5.863 -6.745 1.00 0.40 C ATOM 718 CG PHE A 45 4.273 -6.157 -7.703 1.00 0.57 C ATOM 719 CD1 PHE A 45 5.008 -5.112 -8.308 1.00 0.64 C ATOM 720 CD2 PHE A 45 4.678 -7.471 -8.014 1.00 0.90 C ATOM 721 CE1 PHE A 45 6.076 -5.382 -9.160 1.00 0.76 C ATOM 722 CE2 PHE A 45 5.743 -7.722 -8.860 1.00 1.08 C ATOM 723 CZ PHE A 45 6.430 -6.690 -9.437 1.00 0.96 C ATOM 0 H PHE A 45 0.261 -6.737 -6.259 1.00 0.28 H new ATOM 0 HA PHE A 45 1.647 -4.702 -7.931 1.00 0.35 H new ATOM 0 HB2 PHE A 45 3.286 -4.952 -6.185 1.00 0.40 H new ATOM 0 HB3 PHE A 45 2.996 -6.672 -6.019 1.00 0.40 H new ATOM 0 HD1 PHE A 45 4.737 -4.086 -8.106 1.00 0.64 H new ATOM 0 HD2 PHE A 45 4.143 -8.303 -7.581 1.00 0.90 H new ATOM 0 HE1 PHE A 45 6.629 -4.568 -9.605 1.00 0.76 H new ATOM 0 HE2 PHE A 45 6.034 -8.741 -9.067 1.00 1.08 H new ATOM 0 HZ PHE A 45 7.250 -6.896 -10.109 1.00 0.96 H new ATOM 733 N ALA A 46 1.495 -6.462 -9.864 1.00 0.43 N ATOM 734 CA ALA A 46 1.403 -7.449 -10.955 1.00 0.47 C ATOM 735 C ALA A 46 0.416 -8.590 -10.673 1.00 0.43 C ATOM 736 O ALA A 46 0.780 -9.765 -10.757 1.00 0.45 O ATOM 737 CB ALA A 46 2.788 -8.014 -11.300 1.00 0.54 C ATOM 0 H ALA A 46 1.492 -5.492 -10.180 1.00 0.43 H new ATOM 0 HA ALA A 46 1.008 -6.906 -11.814 1.00 0.47 H new ATOM 0 HB1 ALA A 46 2.694 -8.740 -12.108 1.00 0.54 H new ATOM 0 HB2 ALA A 46 3.444 -7.203 -11.616 1.00 0.54 H new ATOM 0 HB3 ALA A 46 3.211 -8.501 -10.422 1.00 0.54 H new ATOM 743 N GLY A 47 -0.826 -8.247 -10.340 1.00 0.39 N ATOM 744 CA GLY A 47 -1.850 -9.280 -10.102 1.00 0.36 C ATOM 745 C GLY A 47 -1.658 -10.100 -8.818 1.00 0.31 C ATOM 746 O GLY A 47 -2.238 -11.182 -8.711 1.00 0.31 O ATOM 0 H GLY A 47 -1.150 -7.286 -10.229 1.00 0.39 H new ATOM 0 HA2 GLY A 47 -2.828 -8.800 -10.066 1.00 0.36 H new ATOM 0 HA3 GLY A 47 -1.861 -9.962 -10.952 1.00 0.36 H new ATOM 750 N LYS A 48 -0.861 -9.631 -7.838 1.00 0.30 N ATOM 751 CA LYS A 48 -0.719 -10.387 -6.565 1.00 0.27 C ATOM 752 C LYS A 48 -1.114 -9.472 -5.398 1.00 0.24 C ATOM 753 O LYS A 48 -0.842 -8.270 -5.419 1.00 0.23 O ATOM 754 CB LYS A 48 0.724 -10.940 -6.369 1.00 0.30 C ATOM 755 CG LYS A 48 1.150 -12.050 -7.376 1.00 0.35 C ATOM 756 CD LYS A 48 2.679 -12.163 -7.494 1.00 0.98 C ATOM 757 CE LYS A 48 3.127 -13.402 -8.292 1.00 1.07 C ATOM 758 NZ LYS A 48 2.242 -14.575 -8.043 1.00 1.14 N ATOM 0 H LYS A 48 -0.322 -8.767 -7.891 1.00 0.30 H new ATOM 0 HA LYS A 48 -1.381 -11.252 -6.600 1.00 0.27 H new ATOM 0 HB2 LYS A 48 1.428 -10.111 -6.447 1.00 0.30 H new ATOM 0 HB3 LYS A 48 0.810 -11.337 -5.357 1.00 0.30 H new ATOM 0 HG2 LYS A 48 0.739 -13.007 -7.056 1.00 0.35 H new ATOM 0 HG3 LYS A 48 0.726 -11.833 -8.356 1.00 0.35 H new ATOM 0 HD2 LYS A 48 3.069 -11.266 -7.975 1.00 0.98 H new ATOM 0 HD3 LYS A 48 3.114 -12.203 -6.495 1.00 0.98 H new ATOM 0 HE2 LYS A 48 3.127 -13.167 -9.356 1.00 1.07 H new ATOM 0 HE3 LYS A 48 4.152 -13.657 -8.021 1.00 1.07 H new ATOM 0 HZ1 LYS A 48 2.735 -15.447 -8.322 1.00 1.14 H new ATOM 0 HZ2 LYS A 48 2.003 -14.621 -7.032 1.00 1.14 H new ATOM 0 HZ3 LYS A 48 1.370 -14.477 -8.601 1.00 1.14 H new ATOM 772 N GLN A 49 -1.742 -10.056 -4.376 1.00 0.23 N ATOM 773 CA GLN A 49 -2.268 -9.293 -3.232 1.00 0.22 C ATOM 774 C GLN A 49 -1.304 -9.227 -2.045 1.00 0.21 C ATOM 775 O GLN A 49 -0.728 -10.229 -1.622 1.00 0.24 O ATOM 776 CB GLN A 49 -3.627 -9.884 -2.788 1.00 0.27 C ATOM 777 CG GLN A 49 -4.233 -9.267 -1.504 1.00 0.84 C ATOM 778 CD GLN A 49 -4.090 -7.757 -1.459 1.00 1.79 C ATOM 779 OE1 GLN A 49 -3.942 -7.104 -2.492 1.00 2.45 O ATOM 780 NE2 GLN A 49 -4.160 -7.193 -0.261 1.00 2.51 N ATOM 0 H GLN A 49 -1.902 -11.061 -4.313 1.00 0.23 H new ATOM 0 HA GLN A 49 -2.398 -8.266 -3.574 1.00 0.22 H new ATOM 0 HB2 GLN A 49 -4.341 -9.760 -3.602 1.00 0.27 H new ATOM 0 HB3 GLN A 49 -3.504 -10.956 -2.632 1.00 0.27 H new ATOM 0 HG2 GLN A 49 -5.289 -9.530 -1.442 1.00 0.84 H new ATOM 0 HG3 GLN A 49 -3.745 -9.701 -0.631 1.00 0.84 H new ATOM 0 HE21 GLN A 49 -4.283 -7.773 0.569 1.00 2.51 H new ATOM 0 HE22 GLN A 49 -4.091 -6.179 -0.170 1.00 2.51 H new ATOM 789 N LEU A 50 -1.154 -8.005 -1.525 1.00 0.18 N ATOM 790 CA LEU A 50 -0.245 -7.723 -0.398 1.00 0.18 C ATOM 791 C LEU A 50 -0.975 -8.002 0.917 1.00 0.18 C ATOM 792 O LEU A 50 -2.091 -7.530 1.120 1.00 0.18 O ATOM 793 CB LEU A 50 0.272 -6.222 -0.376 1.00 0.20 C ATOM 794 CG LEU A 50 0.920 -5.612 -1.672 1.00 0.29 C ATOM 795 CD1 LEU A 50 2.321 -5.089 -1.373 1.00 0.84 C ATOM 796 CD2 LEU A 50 0.968 -6.617 -2.824 1.00 0.77 C ATOM 0 H LEU A 50 -1.654 -7.184 -1.867 1.00 0.18 H new ATOM 0 HA LEU A 50 0.624 -8.370 -0.522 1.00 0.18 H new ATOM 0 HB2 LEU A 50 -0.572 -5.589 -0.103 1.00 0.20 H new ATOM 0 HB3 LEU A 50 1.005 -6.140 0.427 1.00 0.20 H new ATOM 0 HG LEU A 50 0.285 -4.784 -1.987 1.00 0.29 H new ATOM 0 HD11 LEU A 50 2.755 -4.670 -2.281 1.00 0.84 H new ATOM 0 HD12 LEU A 50 2.265 -4.315 -0.608 1.00 0.84 H new ATOM 0 HD13 LEU A 50 2.946 -5.907 -1.016 1.00 0.84 H new ATOM 0 HD21 LEU A 50 1.424 -6.149 -3.696 1.00 0.77 H new ATOM 0 HD22 LEU A 50 1.559 -7.483 -2.527 1.00 0.77 H new ATOM 0 HD23 LEU A 50 -0.045 -6.936 -3.071 1.00 0.77 H new ATOM 808 N GLU A 51 -0.345 -8.756 1.815 1.00 0.17 N ATOM 809 CA GLU A 51 -0.966 -9.081 3.085 1.00 0.17 C ATOM 810 C GLU A 51 -0.385 -8.199 4.171 1.00 0.17 C ATOM 811 O GLU A 51 0.825 -8.142 4.382 1.00 0.18 O ATOM 812 CB GLU A 51 -0.742 -10.562 3.504 1.00 0.17 C ATOM 813 CG GLU A 51 -1.721 -11.594 2.916 1.00 0.67 C ATOM 814 CD GLU A 51 -3.170 -11.158 3.037 1.00 1.19 C ATOM 815 OE1 GLU A 51 -3.763 -11.365 4.116 1.00 1.45 O ATOM 816 OE2 GLU A 51 -3.708 -10.609 2.054 1.00 1.49 O ATOM 0 H GLU A 51 0.587 -9.148 1.683 1.00 0.17 H new ATOM 0 HA GLU A 51 -2.037 -8.918 2.961 1.00 0.17 H new ATOM 0 HB2 GLU A 51 0.270 -10.849 3.218 1.00 0.17 H new ATOM 0 HB3 GLU A 51 -0.795 -10.621 4.591 1.00 0.17 H new ATOM 0 HG2 GLU A 51 -1.482 -11.759 1.866 1.00 0.67 H new ATOM 0 HG3 GLU A 51 -1.588 -12.548 3.427 1.00 0.67 H new ATOM 823 N ASP A 52 -1.284 -7.494 4.822 1.00 0.19 N ATOM 824 CA ASP A 52 -0.958 -6.582 5.911 1.00 0.23 C ATOM 825 C ASP A 52 0.076 -7.178 6.862 1.00 0.24 C ATOM 826 O ASP A 52 0.807 -6.447 7.525 1.00 0.30 O ATOM 827 CB ASP A 52 -2.232 -6.229 6.698 1.00 0.26 C ATOM 828 CG ASP A 52 -3.286 -5.567 5.832 1.00 0.29 C ATOM 829 OD1 ASP A 52 -3.721 -6.193 4.842 1.00 0.72 O ATOM 830 OD2 ASP A 52 -3.681 -4.425 6.147 1.00 0.84 O ATOM 0 H ASP A 52 -2.281 -7.535 4.610 1.00 0.19 H new ATOM 0 HA ASP A 52 -0.530 -5.683 5.468 1.00 0.23 H new ATOM 0 HB2 ASP A 52 -2.646 -7.136 7.138 1.00 0.26 H new ATOM 0 HB3 ASP A 52 -1.973 -5.564 7.522 1.00 0.26 H new ATOM 835 N GLY A 53 0.125 -8.510 6.933 1.00 0.20 N ATOM 836 CA GLY A 53 1.058 -9.158 7.855 1.00 0.22 C ATOM 837 C GLY A 53 2.403 -9.644 7.244 1.00 0.25 C ATOM 838 O GLY A 53 3.285 -10.005 8.024 1.00 0.28 O ATOM 0 H GLY A 53 -0.452 -9.145 6.381 1.00 0.20 H new ATOM 0 HA2 GLY A 53 1.281 -8.461 8.663 1.00 0.22 H new ATOM 0 HA3 GLY A 53 0.556 -10.015 8.304 1.00 0.22 H new ATOM 842 N ARG A 54 2.622 -9.679 5.890 1.00 0.27 N ATOM 843 CA ARG A 54 3.959 -10.148 5.404 1.00 0.32 C ATOM 844 C ARG A 54 4.866 -8.919 5.278 1.00 0.32 C ATOM 845 O ARG A 54 4.348 -7.821 5.096 1.00 0.31 O ATOM 846 CB ARG A 54 3.861 -10.845 3.964 1.00 0.37 C ATOM 847 CG ARG A 54 5.239 -10.869 3.064 1.00 0.96 C ATOM 848 CD ARG A 54 6.382 -11.855 3.557 1.00 1.95 C ATOM 849 NE ARG A 54 6.244 -12.162 4.980 1.00 2.48 N ATOM 850 CZ ARG A 54 7.265 -12.460 5.779 1.00 3.39 C ATOM 851 NH1 ARG A 54 8.500 -12.497 5.302 1.00 3.81 N ATOM 852 NH2 ARG A 54 7.049 -12.721 7.061 1.00 3.98 N ATOM 0 H ARG A 54 1.951 -9.412 5.170 1.00 0.27 H new ATOM 0 HA ARG A 54 4.349 -10.881 6.111 1.00 0.32 H new ATOM 0 HB2 ARG A 54 3.528 -11.873 4.105 1.00 0.37 H new ATOM 0 HB3 ARG A 54 3.088 -10.335 3.390 1.00 0.37 H new ATOM 0 HG2 ARG A 54 4.975 -11.135 2.041 1.00 0.96 H new ATOM 0 HG3 ARG A 54 5.647 -9.859 3.035 1.00 0.96 H new ATOM 0 HD2 ARG A 54 6.343 -12.778 2.979 1.00 1.95 H new ATOM 0 HD3 ARG A 54 7.357 -11.405 3.373 1.00 1.95 H new ATOM 0 HE ARG A 54 5.308 -12.147 5.385 1.00 2.48 H new ATOM 0 HH11 ARG A 54 8.672 -12.296 4.317 1.00 3.81 H new ATOM 0 HH12 ARG A 54 9.279 -12.726 5.920 1.00 3.81 H new ATOM 0 HH21 ARG A 54 6.100 -12.693 7.434 1.00 3.98 H new ATOM 0 HH22 ARG A 54 7.832 -12.950 7.674 1.00 3.98 H new ATOM 866 N THR A 55 6.203 -9.050 5.368 1.00 0.35 N ATOM 867 CA THR A 55 7.012 -7.820 5.190 1.00 0.38 C ATOM 868 C THR A 55 7.399 -7.650 3.716 1.00 0.42 C ATOM 869 O THR A 55 7.546 -8.626 2.981 1.00 0.44 O ATOM 870 CB THR A 55 8.274 -7.722 6.098 1.00 0.44 C ATOM 871 OG1 THR A 55 9.159 -8.810 5.851 1.00 0.81 O ATOM 872 CG2 THR A 55 7.877 -7.730 7.564 1.00 0.65 C ATOM 0 H THR A 55 6.716 -9.913 5.547 1.00 0.35 H new ATOM 0 HA THR A 55 6.367 -7.002 5.512 1.00 0.38 H new ATOM 0 HB THR A 55 8.780 -6.786 5.863 1.00 0.44 H new ATOM 0 HG1 THR A 55 9.946 -8.729 6.430 1.00 0.81 H new ATOM 0 HG21 THR A 55 8.771 -7.661 8.183 1.00 0.65 H new ATOM 0 HG22 THR A 55 7.227 -6.880 7.769 1.00 0.65 H new ATOM 0 HG23 THR A 55 7.348 -8.655 7.793 1.00 0.65 H new ATOM 880 N LEU A 56 7.562 -6.391 3.304 1.00 0.43 N ATOM 881 CA LEU A 56 7.860 -6.082 1.903 1.00 0.49 C ATOM 882 C LEU A 56 9.236 -6.624 1.446 1.00 0.53 C ATOM 883 O LEU A 56 9.468 -6.715 0.240 1.00 0.59 O ATOM 884 CB LEU A 56 7.621 -4.565 1.544 1.00 0.51 C ATOM 885 CG LEU A 56 7.352 -3.591 2.729 1.00 0.51 C ATOM 886 CD1 LEU A 56 8.598 -2.801 3.104 1.00 0.50 C ATOM 887 CD2 LEU A 56 6.261 -2.554 2.406 1.00 0.79 C ATOM 0 H LEU A 56 7.494 -5.576 3.913 1.00 0.43 H new ATOM 0 HA LEU A 56 7.129 -6.631 1.310 1.00 0.49 H new ATOM 0 HB2 LEU A 56 8.494 -4.204 1.001 1.00 0.51 H new ATOM 0 HB3 LEU A 56 6.774 -4.508 0.860 1.00 0.51 H new ATOM 0 HG LEU A 56 7.032 -4.233 3.549 1.00 0.51 H new ATOM 0 HD11 LEU A 56 8.369 -2.133 3.934 1.00 0.50 H new ATOM 0 HD12 LEU A 56 9.390 -3.489 3.400 1.00 0.50 H new ATOM 0 HD13 LEU A 56 8.928 -2.214 2.247 1.00 0.50 H new ATOM 0 HD21 LEU A 56 6.114 -1.901 3.266 1.00 0.79 H new ATOM 0 HD22 LEU A 56 6.568 -1.958 1.546 1.00 0.79 H new ATOM 0 HD23 LEU A 56 5.327 -3.068 2.176 1.00 0.79 H new ATOM 899 N SER A 57 10.165 -6.982 2.369 1.00 0.54 N ATOM 900 CA SER A 57 11.476 -7.502 1.928 1.00 0.63 C ATOM 901 C SER A 57 11.307 -8.864 1.247 1.00 0.73 C ATOM 902 O SER A 57 11.813 -9.087 0.138 1.00 0.79 O ATOM 903 CB SER A 57 12.540 -7.568 3.064 1.00 0.71 C ATOM 904 OG SER A 57 13.724 -6.898 2.668 1.00 1.71 O ATOM 0 H SER A 57 10.037 -6.923 3.379 1.00 0.54 H new ATOM 0 HA SER A 57 11.865 -6.784 1.206 1.00 0.63 H new ATOM 0 HB2 SER A 57 12.142 -7.113 3.971 1.00 0.71 H new ATOM 0 HB3 SER A 57 12.764 -8.608 3.301 1.00 0.71 H new ATOM 0 HG SER A 57 13.492 -6.122 2.116 1.00 1.71 H new ATOM 910 N ASP A 58 10.529 -9.755 1.870 1.00 0.77 N ATOM 911 CA ASP A 58 10.335 -11.089 1.308 1.00 0.87 C ATOM 912 C ASP A 58 9.585 -10.950 0.002 1.00 0.87 C ATOM 913 O ASP A 58 9.645 -11.820 -0.867 1.00 0.92 O ATOM 914 CB ASP A 58 9.554 -12.028 2.265 1.00 0.93 C ATOM 915 CG ASP A 58 10.391 -13.217 2.698 1.00 1.06 C ATOM 916 OD1 ASP A 58 11.187 -13.069 3.649 1.00 1.11 O ATOM 917 OD2 ASP A 58 10.250 -14.296 2.084 1.00 1.15 O ATOM 0 H ASP A 58 10.034 -9.580 2.745 1.00 0.77 H new ATOM 0 HA ASP A 58 11.314 -11.541 1.152 1.00 0.87 H new ATOM 0 HB2 ASP A 58 9.237 -11.468 3.145 1.00 0.93 H new ATOM 0 HB3 ASP A 58 8.650 -12.382 1.769 1.00 0.93 H new ATOM 922 N TYR A 59 8.877 -9.840 -0.121 1.00 0.84 N ATOM 923 CA TYR A 59 8.122 -9.557 -1.323 1.00 0.84 C ATOM 924 C TYR A 59 8.992 -8.729 -2.272 1.00 0.82 C ATOM 925 O TYR A 59 8.477 -7.841 -2.916 1.00 0.80 O ATOM 926 CB TYR A 59 6.833 -8.762 -0.969 1.00 0.88 C ATOM 927 CG TYR A 59 5.694 -8.979 -1.920 1.00 0.80 C ATOM 928 CD1 TYR A 59 5.860 -8.968 -3.306 1.00 1.19 C ATOM 929 CD2 TYR A 59 4.432 -9.167 -1.415 1.00 0.66 C ATOM 930 CE1 TYR A 59 4.781 -9.141 -4.146 1.00 1.47 C ATOM 931 CE2 TYR A 59 3.364 -9.342 -2.238 1.00 0.95 C ATOM 932 CZ TYR A 59 3.531 -9.327 -3.605 1.00 1.36 C ATOM 933 OH TYR A 59 2.444 -9.500 -4.430 1.00 1.77 O ATOM 0 H TYR A 59 8.811 -9.121 0.600 1.00 0.84 H new ATOM 0 HA TYR A 59 7.836 -10.494 -1.802 1.00 0.84 H new ATOM 0 HB2 TYR A 59 6.512 -9.042 0.034 1.00 0.88 H new ATOM 0 HB3 TYR A 59 7.072 -7.699 -0.943 1.00 0.88 H new ATOM 0 HD1 TYR A 59 6.845 -8.822 -3.725 1.00 1.19 H new ATOM 0 HD2 TYR A 59 4.285 -9.176 -0.345 1.00 0.66 H new ATOM 0 HE1 TYR A 59 4.916 -9.131 -5.217 1.00 1.47 H new ATOM 0 HE2 TYR A 59 2.381 -9.493 -1.818 1.00 0.95 H new ATOM 0 HH TYR A 59 1.637 -9.620 -3.887 1.00 1.77 H new ATOM 943 N ASN A 60 10.263 -9.168 -2.440 1.00 0.84 N ATOM 944 CA ASN A 60 11.301 -8.525 -3.339 1.00 0.84 C ATOM 945 C ASN A 60 10.979 -7.137 -3.964 1.00 0.76 C ATOM 946 O ASN A 60 11.718 -6.695 -4.843 1.00 0.80 O ATOM 947 CB ASN A 60 11.558 -9.450 -4.560 1.00 0.95 C ATOM 948 CG ASN A 60 10.239 -9.829 -5.290 1.00 1.01 C ATOM 949 OD1 ASN A 60 10.051 -11.005 -5.604 1.00 1.12 O ATOM 950 ND2 ASN A 60 9.307 -8.867 -5.597 1.00 0.96 N ATOM 0 H ASN A 60 10.620 -9.991 -1.955 1.00 0.84 H new ATOM 0 HA ASN A 60 12.136 -8.378 -2.654 1.00 0.84 H new ATOM 0 HB2 ASN A 60 12.229 -8.950 -5.259 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.062 -10.357 -4.228 1.00 0.95 H new ATOM 0 HD21 ASN A 60 8.451 -9.124 -6.089 1.00 0.96 H new ATOM 0 HD22 ASN A 60 9.471 -7.895 -5.333 1.00 0.96 H new ATOM 957 N ILE A 61 9.929 -6.454 -3.544 1.00 0.68 N ATOM 958 CA ILE A 61 9.588 -5.158 -4.135 1.00 0.63 C ATOM 959 C ILE A 61 10.730 -4.180 -3.858 1.00 0.50 C ATOM 960 O ILE A 61 11.118 -3.999 -2.704 1.00 0.42 O ATOM 961 CB ILE A 61 8.265 -4.584 -3.534 1.00 0.59 C ATOM 962 CG1 ILE A 61 7.049 -5.480 -3.877 1.00 0.84 C ATOM 963 CG2 ILE A 61 8.008 -3.198 -4.066 1.00 0.61 C ATOM 964 CD1 ILE A 61 5.704 -4.926 -3.419 1.00 0.92 C ATOM 0 H ILE A 61 9.299 -6.765 -2.804 1.00 0.68 H new ATOM 0 HA ILE A 61 9.441 -5.293 -5.207 1.00 0.63 H new ATOM 0 HB ILE A 61 8.388 -4.555 -2.451 1.00 0.59 H new ATOM 0 HG12 ILE A 61 7.017 -5.629 -4.956 1.00 0.84 H new ATOM 0 HG13 ILE A 61 7.197 -6.460 -3.424 1.00 0.84 H new ATOM 0 HG21 ILE A 61 7.083 -2.810 -3.639 1.00 0.61 H new ATOM 0 HG22 ILE A 61 8.836 -2.544 -3.793 1.00 0.61 H new ATOM 0 HG23 ILE A 61 7.919 -3.236 -5.152 1.00 0.61 H new ATOM 0 HD11 ILE A 61 4.910 -5.618 -3.701 1.00 0.92 H new ATOM 0 HD12 ILE A 61 5.711 -4.803 -2.336 1.00 0.92 H new ATOM 0 HD13 ILE A 61 5.528 -3.960 -3.892 1.00 0.92 H new ATOM 976 N GLN A 62 11.276 -3.545 -4.901 1.00 0.51 N ATOM 977 CA GLN A 62 12.416 -2.616 -4.695 1.00 0.44 C ATOM 978 C GLN A 62 11.979 -1.146 -4.644 1.00 0.31 C ATOM 979 O GLN A 62 10.816 -0.814 -4.844 1.00 0.29 O ATOM 980 CB GLN A 62 13.564 -2.794 -5.774 1.00 0.56 C ATOM 981 CG GLN A 62 13.174 -3.224 -7.243 1.00 1.16 C ATOM 982 CD GLN A 62 12.724 -4.669 -7.306 1.00 1.77 C ATOM 983 OE1 GLN A 62 13.198 -5.511 -6.546 1.00 2.24 O ATOM 984 NE2 GLN A 62 11.805 -4.965 -8.218 1.00 2.50 N ATOM 0 H GLN A 62 10.968 -3.645 -5.868 1.00 0.51 H new ATOM 0 HA GLN A 62 12.823 -2.889 -3.721 1.00 0.44 H new ATOM 0 HB2 GLN A 62 14.103 -1.849 -5.840 1.00 0.56 H new ATOM 0 HB3 GLN A 62 14.265 -3.535 -5.389 1.00 0.56 H new ATOM 0 HG2 GLN A 62 12.376 -2.579 -7.611 1.00 1.16 H new ATOM 0 HG3 GLN A 62 14.030 -3.081 -7.903 1.00 1.16 H new ATOM 0 HE21 GLN A 62 11.439 -4.235 -8.829 1.00 2.50 H new ATOM 0 HE22 GLN A 62 11.466 -5.923 -8.308 1.00 2.50 H new ATOM 993 N LYS A 63 12.949 -0.280 -4.348 1.00 0.30 N ATOM 994 CA LYS A 63 12.743 1.170 -4.273 1.00 0.24 C ATOM 995 C LYS A 63 11.998 1.750 -5.492 1.00 0.21 C ATOM 996 O LYS A 63 12.272 1.379 -6.634 1.00 0.24 O ATOM 997 CB LYS A 63 14.116 1.863 -4.137 1.00 0.34 C ATOM 998 CG LYS A 63 14.044 3.382 -4.167 1.00 1.31 C ATOM 999 CD LYS A 63 15.432 4.002 -4.165 1.00 1.67 C ATOM 1000 CE LYS A 63 15.384 5.481 -4.515 1.00 2.63 C ATOM 1001 NZ LYS A 63 16.745 6.082 -4.583 1.00 2.96 N ATOM 0 H LYS A 63 13.908 -0.566 -4.152 1.00 0.30 H new ATOM 0 HA LYS A 63 12.113 1.359 -3.404 1.00 0.24 H new ATOM 0 HB2 LYS A 63 14.580 1.549 -3.202 1.00 0.34 H new ATOM 0 HB3 LYS A 63 14.765 1.524 -4.944 1.00 0.34 H new ATOM 0 HG2 LYS A 63 13.501 3.705 -5.055 1.00 1.31 H new ATOM 0 HG3 LYS A 63 13.483 3.739 -3.303 1.00 1.31 H new ATOM 0 HD2 LYS A 63 15.887 3.874 -3.183 1.00 1.67 H new ATOM 0 HD3 LYS A 63 16.066 3.478 -4.880 1.00 1.67 H new ATOM 0 HE2 LYS A 63 14.882 5.611 -5.474 1.00 2.63 H new ATOM 0 HE3 LYS A 63 14.790 6.011 -3.770 1.00 2.63 H new ATOM 0 HZ1 LYS A 63 16.667 7.091 -4.824 1.00 2.96 H new ATOM 0 HZ2 LYS A 63 17.215 5.982 -3.661 1.00 2.96 H new ATOM 0 HZ3 LYS A 63 17.304 5.594 -5.312 1.00 2.96 H new ATOM 1015 N GLU A 64 11.041 2.660 -5.220 1.00 0.19 N ATOM 1016 CA GLU A 64 10.283 3.370 -6.278 1.00 0.21 C ATOM 1017 C GLU A 64 9.230 2.493 -6.978 1.00 0.24 C ATOM 1018 O GLU A 64 9.008 2.636 -8.181 1.00 0.31 O ATOM 1019 CB GLU A 64 11.249 3.997 -7.334 1.00 0.25 C ATOM 1020 CG GLU A 64 10.587 5.028 -8.268 1.00 0.30 C ATOM 1021 CD GLU A 64 9.729 6.027 -7.514 1.00 1.40 C ATOM 1022 OE1 GLU A 64 10.277 7.051 -7.053 1.00 1.59 O ATOM 1023 OE2 GLU A 64 8.511 5.784 -7.386 1.00 2.25 O ATOM 0 H GLU A 64 10.771 2.924 -4.272 1.00 0.19 H new ATOM 0 HA GLU A 64 9.738 4.163 -5.767 1.00 0.21 H new ATOM 0 HB2 GLU A 64 12.077 4.477 -6.812 1.00 0.25 H new ATOM 0 HB3 GLU A 64 11.675 3.197 -7.939 1.00 0.25 H new ATOM 0 HG2 GLU A 64 11.360 5.562 -8.821 1.00 0.30 H new ATOM 0 HG3 GLU A 64 9.972 4.507 -9.002 1.00 0.30 H new ATOM 1030 N SER A 65 8.578 1.585 -6.245 1.00 0.24 N ATOM 1031 CA SER A 65 7.536 0.723 -6.868 1.00 0.28 C ATOM 1032 C SER A 65 6.161 1.419 -6.830 1.00 0.20 C ATOM 1033 O SER A 65 5.869 2.169 -5.879 1.00 0.17 O ATOM 1034 CB SER A 65 7.454 -0.641 -6.108 1.00 0.41 C ATOM 1035 OG SER A 65 8.749 -1.181 -5.943 1.00 1.30 O ATOM 0 H SER A 65 8.736 1.421 -5.251 1.00 0.24 H new ATOM 0 HA SER A 65 7.810 0.546 -7.908 1.00 0.28 H new ATOM 0 HB2 SER A 65 6.985 -0.497 -5.135 1.00 0.41 H new ATOM 0 HB3 SER A 65 6.828 -1.339 -6.664 1.00 0.41 H new ATOM 0 HG SER A 65 9.202 -0.725 -5.203 1.00 1.30 H new ATOM 1041 N THR A 66 5.314 1.217 -7.865 1.00 0.23 N ATOM 1042 CA THR A 66 3.967 1.798 -7.828 1.00 0.19 C ATOM 1043 C THR A 66 2.911 0.715 -7.608 1.00 0.18 C ATOM 1044 O THR A 66 2.777 -0.211 -8.410 1.00 0.23 O ATOM 1045 CB THR A 66 3.635 2.598 -9.112 1.00 0.25 C ATOM 1046 OG1 THR A 66 4.421 3.796 -9.154 1.00 0.25 O ATOM 1047 CG2 THR A 66 2.159 2.965 -9.147 1.00 0.33 C ATOM 0 H THR A 66 5.533 0.677 -8.702 1.00 0.23 H new ATOM 0 HA THR A 66 3.952 2.493 -6.988 1.00 0.19 H new ATOM 0 HB THR A 66 3.866 1.975 -9.976 1.00 0.25 H new ATOM 0 HG1 THR A 66 4.209 4.298 -9.969 1.00 0.25 H new ATOM 0 HG21 THR A 66 1.945 3.527 -10.056 1.00 0.33 H new ATOM 0 HG22 THR A 66 1.558 2.056 -9.132 1.00 0.33 H new ATOM 0 HG23 THR A 66 1.915 3.576 -8.278 1.00 0.33 H new ATOM 1055 N LEU A 67 2.160 0.846 -6.516 1.00 0.17 N ATOM 1056 CA LEU A 67 1.104 -0.123 -6.165 1.00 0.20 C ATOM 1057 C LEU A 67 -0.313 0.456 -6.376 1.00 0.20 C ATOM 1058 O LEU A 67 -0.519 1.666 -6.272 1.00 0.19 O ATOM 1059 CB LEU A 67 1.334 -0.526 -4.686 1.00 0.22 C ATOM 1060 CG LEU A 67 2.585 -1.385 -4.510 1.00 0.24 C ATOM 1061 CD1 LEU A 67 3.351 -1.008 -3.249 1.00 0.30 C ATOM 1062 CD2 LEU A 67 2.244 -2.872 -4.485 1.00 0.31 C ATOM 0 H LEU A 67 2.258 1.614 -5.852 1.00 0.17 H new ATOM 0 HA LEU A 67 1.164 -0.993 -6.819 1.00 0.20 H new ATOM 0 HB2 LEU A 67 1.424 0.373 -4.076 1.00 0.22 H new ATOM 0 HB3 LEU A 67 0.465 -1.074 -4.321 1.00 0.22 H new ATOM 0 HG LEU A 67 3.223 -1.190 -5.372 1.00 0.24 H new ATOM 0 HD11 LEU A 67 4.234 -1.640 -3.157 1.00 0.30 H new ATOM 0 HD12 LEU A 67 3.657 0.037 -3.308 1.00 0.30 H new ATOM 0 HD13 LEU A 67 2.711 -1.150 -2.378 1.00 0.30 H new ATOM 0 HD21 LEU A 67 3.158 -3.453 -4.358 1.00 0.31 H new ATOM 0 HD22 LEU A 67 1.567 -3.076 -3.656 1.00 0.31 H new ATOM 0 HD23 LEU A 67 1.764 -3.151 -5.423 1.00 0.31 H new ATOM 1074 N HIS A 68 -1.287 -0.424 -6.676 1.00 0.21 N ATOM 1075 CA HIS A 68 -2.697 0.000 -6.897 1.00 0.21 C ATOM 1076 C HIS A 68 -3.534 -0.309 -5.635 1.00 0.20 C ATOM 1077 O HIS A 68 -3.589 -1.464 -5.205 1.00 0.20 O ATOM 1078 CB HIS A 68 -3.340 -0.688 -8.159 1.00 0.22 C ATOM 1079 CG HIS A 68 -3.897 0.307 -9.130 1.00 0.24 C ATOM 1080 ND1 HIS A 68 -5.245 0.424 -9.400 1.00 0.86 N ATOM 1081 CD2 HIS A 68 -3.280 1.237 -9.899 1.00 0.92 C ATOM 1082 CE1 HIS A 68 -5.433 1.381 -10.293 1.00 0.62 C ATOM 1083 NE2 HIS A 68 -4.257 1.889 -10.611 1.00 0.56 N ATOM 0 H HIS A 68 -1.133 -1.428 -6.772 1.00 0.21 H new ATOM 0 HA HIS A 68 -2.694 1.073 -7.087 1.00 0.21 H new ATOM 0 HB2 HIS A 68 -2.588 -1.298 -8.659 1.00 0.22 H new ATOM 0 HB3 HIS A 68 -4.134 -1.361 -7.837 1.00 0.22 H new ATOM 0 HD2 HIS A 68 -2.218 1.429 -9.944 1.00 0.92 H new ATOM 0 HE1 HIS A 68 -6.386 1.694 -10.694 1.00 0.62 H new ATOM 0 HE2 HIS A 68 -4.099 2.644 -11.278 1.00 0.56 H new ATOM 1092 N SER A 69 -4.146 0.709 -5.010 1.00 0.21 N ATOM 1093 CA SER A 69 -4.974 0.468 -3.793 1.00 0.21 C ATOM 1094 C SER A 69 -6.422 0.185 -4.192 1.00 0.22 C ATOM 1095 O SER A 69 -7.028 0.973 -4.919 1.00 0.24 O ATOM 1096 CB SER A 69 -4.946 1.663 -2.807 1.00 0.23 C ATOM 1097 OG SER A 69 -5.543 1.296 -1.578 1.00 0.26 O ATOM 0 H SER A 69 -4.094 1.683 -5.307 1.00 0.21 H new ATOM 0 HA SER A 69 -4.542 -0.394 -3.285 1.00 0.21 H new ATOM 0 HB2 SER A 69 -3.917 1.981 -2.639 1.00 0.23 H new ATOM 0 HB3 SER A 69 -5.476 2.512 -3.238 1.00 0.23 H new ATOM 0 HG SER A 69 -4.900 0.787 -1.041 1.00 0.26 H new ATOM 1103 N VAL A 70 -6.985 -0.938 -3.723 1.00 0.23 N ATOM 1104 CA VAL A 70 -8.379 -1.281 -4.091 1.00 0.27 C ATOM 1105 C VAL A 70 -9.250 -1.492 -2.844 1.00 0.29 C ATOM 1106 O VAL A 70 -8.753 -1.831 -1.778 1.00 0.27 O ATOM 1107 CB VAL A 70 -8.438 -2.547 -5.007 1.00 0.32 C ATOM 1108 CG1 VAL A 70 -7.044 -3.101 -5.243 1.00 0.89 C ATOM 1109 CG2 VAL A 70 -9.341 -3.626 -4.418 1.00 0.99 C ATOM 0 H VAL A 70 -6.522 -1.608 -3.109 1.00 0.23 H new ATOM 0 HA VAL A 70 -8.776 -0.435 -4.652 1.00 0.27 H new ATOM 0 HB VAL A 70 -8.864 -2.240 -5.962 1.00 0.32 H new ATOM 0 HG11 VAL A 70 -7.106 -3.982 -5.882 1.00 0.89 H new ATOM 0 HG12 VAL A 70 -6.428 -2.343 -5.728 1.00 0.89 H new ATOM 0 HG13 VAL A 70 -6.596 -3.377 -4.288 1.00 0.89 H new ATOM 0 HG21 VAL A 70 -9.357 -4.490 -5.082 1.00 0.99 H new ATOM 0 HG22 VAL A 70 -8.960 -3.926 -3.442 1.00 0.99 H new ATOM 0 HG23 VAL A 70 -10.352 -3.234 -4.308 1.00 0.99 H new ATOM 1119 N LEU A 71 -10.557 -1.283 -2.992 1.00 0.36 N ATOM 1120 CA LEU A 71 -11.481 -1.441 -1.847 1.00 0.41 C ATOM 1121 C LEU A 71 -12.013 -2.873 -1.757 1.00 0.48 C ATOM 1122 O LEU A 71 -12.235 -3.532 -2.773 1.00 0.52 O ATOM 1123 CB LEU A 71 -12.681 -0.464 -1.987 1.00 0.49 C ATOM 1124 CG LEU A 71 -12.304 0.981 -2.254 1.00 0.55 C ATOM 1125 CD1 LEU A 71 -13.550 1.835 -2.375 1.00 0.91 C ATOM 1126 CD2 LEU A 71 -11.403 1.503 -1.161 1.00 0.86 C ATOM 0 H LEU A 71 -11.002 -1.010 -3.868 1.00 0.36 H new ATOM 0 HA LEU A 71 -10.922 -1.215 -0.939 1.00 0.41 H new ATOM 0 HB2 LEU A 71 -13.321 -0.812 -2.798 1.00 0.49 H new ATOM 0 HB3 LEU A 71 -13.273 -0.506 -1.073 1.00 0.49 H new ATOM 0 HG LEU A 71 -11.759 1.031 -3.197 1.00 0.55 H new ATOM 0 HD11 LEU A 71 -13.265 2.869 -2.566 1.00 0.91 H new ATOM 0 HD12 LEU A 71 -14.163 1.469 -3.199 1.00 0.91 H new ATOM 0 HD13 LEU A 71 -14.119 1.781 -1.447 1.00 0.91 H new ATOM 0 HD21 LEU A 71 -11.143 2.541 -1.369 1.00 0.86 H new ATOM 0 HD22 LEU A 71 -11.920 1.443 -0.203 1.00 0.86 H new ATOM 0 HD23 LEU A 71 -10.495 0.902 -1.120 1.00 0.86 H new