USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 893 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 92 ASN : amide:sc= -1.66! K(o=-3.2!,f=-4.9) USER MOD Set 1.2: A 97 GLN : amide:sc= 0.187 K(o=-3.2,f=-4.9!) USER MOD Set 1.3: A 99 GLN : amide:sc= 0.77 K(o=-3.2,f=-5.8) USER MOD Set 1.4: A 100 CYS SG : rot -8:sc= -2.46! USER MOD Set 2.1: A 86 GLN : amide:sc= 0.542 K(o=1.2,f=-0.48) USER MOD Set 2.2: A 106 TYR OH : rot -148:sc= 0.621 USER MOD Set 3.1: A 10 SER OG : rot -55:sc= 0.342 USER MOD Set 3.2: A 12 HIS : no HE2:sc= -1.71 K(o=-0.23,f=1.4) USER MOD Set 3.3: A 45 TYR OH : rot 90:sc= 0.845 USER MOD Set 3.4: A 53 MET CE :methyl -125:sc= -0.437 (180deg=-2.56!) USER MOD Set 3.5: A 71 TYR OH : rot 16:sc= 1.33 USER MOD Set 3.6: A 85 THR OG1 : rot 34:sc= 1.11 USER MOD Set 3.7: A 103 CYS SG : rot -170:sc= -1.58 USER MOD Set 3.8: A 105 ASN : amide:sc= -0.129 K(o=-0.23,f=1.4) USER MOD Set 4.1: A 56 SER OG : rot 65:sc= 1.15 USER MOD Set 4.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 16 MET CE :methyl -105:sc= -5.08! (180deg=-5.98!) USER MOD Set 5.2: A 42 TYR OH : rot -10:sc= 0.907 USER MOD Set 5.3: A 57 HIS : no HD1:sc= -0.57 K(o=-4.7,f=-2.9) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0395 (180deg=0) USER MOD Single : A 3 MET CE :methyl 163:sc= -0.0678 (180deg=-0.465) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 138:sc= 1.2 (180deg=0.276) USER MOD Single : A 7 THR OG1 : rot -100:sc= 0.188 USER MOD Single : A 13 SER OG : rot 74:sc= 1.23 USER MOD Single : A 14 MET CE :methyl -155:sc= -0.303 (180deg=-1.19!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -130:sc= -0.0145 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -62:sc= -1.6 USER MOD Single : A 26 THR OG1 : rot -74:sc= 0.93 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -3.65! X(o=-3.7!,f=-3.7) USER MOD Single : A 50 SER OG : rot -108:sc= 1.24 USER MOD Single : A 52 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.012) USER MOD Single : A 54 THR OG1 : rot 65:sc= 0.727 USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.1) USER MOD Single : A 58 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.33) USER MOD Single : A 59 ASN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.031 K(o=-0.031,f=-1.1) USER MOD Single : A 70 GLN : amide:sc= -2.31! K(o=-2.3!,f=-0.23) USER MOD Single : A 73 MET CE :methyl 135:sc= -1.05 (180deg=-3.98!) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 0.115 (180deg=0.0721) USER MOD Single : A 77 HIS : no HD1:sc= -0.581 X(o=-0.58,f=-0.33) USER MOD Single : A 80 TYR OH : rot 180:sc= -2.18! USER MOD Single : A 88 THR OG1 : rot 105:sc=-0.00328 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 MET CE :methyl 165:sc= -0.862 (180deg=-1.62!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -1.87! K(o=-1.9!,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.537 5.246 -21.596 1.00 8.25 N ATOM 2 CA GLY A 1 -10.795 3.856 -22.039 1.00 7.69 C ATOM 3 C GLY A 1 -12.184 3.399 -21.660 1.00 7.07 C ATOM 4 O GLY A 1 -13.107 4.212 -21.590 1.00 7.20 O ATOM 0 H1 GLY A 1 -10.066 5.772 -22.360 1.00 8.25 H new ATOM 0 H2 GLY A 1 -11.438 5.709 -21.361 1.00 8.25 H new ATOM 0 H3 GLY A 1 -9.925 5.234 -20.755 1.00 8.25 H new ATOM 0 HA2 GLY A 1 -10.672 3.790 -23.120 1.00 7.69 H new ATOM 0 HA3 GLY A 1 -10.058 3.189 -21.593 1.00 7.69 H new ATOM 10 N ALA A 2 -12.340 2.107 -21.411 1.00 6.74 N ATOM 11 CA ALA A 2 -13.635 1.555 -21.034 1.00 6.50 C ATOM 12 C ALA A 2 -13.885 1.735 -19.542 1.00 5.63 C ATOM 13 O ALA A 2 -15.027 1.869 -19.102 1.00 5.72 O ATOM 14 CB ALA A 2 -13.716 0.084 -21.418 1.00 7.23 C ATOM 0 H ALA A 2 -11.587 1.421 -21.463 1.00 6.74 H new ATOM 0 HA ALA A 2 -14.410 2.097 -21.575 1.00 6.50 H new ATOM 0 HB1 ALA A 2 -14.689 -0.314 -21.130 1.00 7.23 H new ATOM 0 HB2 ALA A 2 -13.586 -0.018 -22.495 1.00 7.23 H new ATOM 0 HB3 ALA A 2 -12.931 -0.470 -20.904 1.00 7.23 H new ATOM 20 N MET A 3 -12.812 1.739 -18.770 1.00 5.15 N ATOM 21 CA MET A 3 -12.898 1.937 -17.333 1.00 4.60 C ATOM 22 C MET A 3 -11.715 2.765 -16.857 1.00 3.69 C ATOM 23 O MET A 3 -10.748 2.961 -17.599 1.00 3.99 O ATOM 24 CB MET A 3 -12.908 0.590 -16.603 1.00 5.41 C ATOM 25 CG MET A 3 -11.606 -0.178 -16.726 1.00 6.28 C ATOM 26 SD MET A 3 -11.617 -1.734 -15.815 1.00 7.11 S ATOM 27 CE MET A 3 -12.892 -2.635 -16.692 1.00 7.93 C ATOM 0 H MET A 3 -11.863 1.606 -19.118 1.00 5.15 H new ATOM 0 HA MET A 3 -13.826 2.463 -17.110 1.00 4.60 H new ATOM 0 HB2 MET A 3 -13.121 0.760 -15.548 1.00 5.41 H new ATOM 0 HB3 MET A 3 -13.719 -0.022 -16.998 1.00 5.41 H new ATOM 0 HG2 MET A 3 -11.408 -0.381 -17.779 1.00 6.28 H new ATOM 0 HG3 MET A 3 -10.788 0.444 -16.362 1.00 6.28 H new ATOM 0 HE1 MET A 3 -12.814 -3.697 -16.458 1.00 7.93 H new ATOM 0 HE2 MET A 3 -13.872 -2.267 -16.388 1.00 7.93 H new ATOM 0 HE3 MET A 3 -12.767 -2.490 -17.765 1.00 7.93 H new ATOM 37 N ASP A 4 -11.790 3.255 -15.633 1.00 3.10 N ATOM 38 CA ASP A 4 -10.670 3.965 -15.038 1.00 2.74 C ATOM 39 C ASP A 4 -10.272 3.307 -13.734 1.00 2.19 C ATOM 40 O ASP A 4 -11.050 2.563 -13.133 1.00 2.83 O ATOM 41 CB ASP A 4 -10.994 5.438 -14.774 1.00 3.07 C ATOM 42 CG ASP A 4 -11.907 5.646 -13.579 1.00 3.89 C ATOM 43 OD1 ASP A 4 -13.126 5.416 -13.700 1.00 4.39 O ATOM 44 OD2 ASP A 4 -11.404 6.046 -12.506 1.00 4.39 O ATOM 0 H ASP A 4 -12.611 3.175 -15.033 1.00 3.10 H new ATOM 0 HA ASP A 4 -9.848 3.921 -15.752 1.00 2.74 H new ATOM 0 HB2 ASP A 4 -10.065 5.984 -14.612 1.00 3.07 H new ATOM 0 HB3 ASP A 4 -11.464 5.864 -15.660 1.00 3.07 H new ATOM 49 N SER A 5 -9.060 3.581 -13.304 1.00 1.51 N ATOM 50 CA SER A 5 -8.574 3.075 -12.043 1.00 1.13 C ATOM 51 C SER A 5 -8.310 4.242 -11.100 1.00 0.89 C ATOM 52 O SER A 5 -7.683 5.229 -11.485 1.00 1.67 O ATOM 53 CB SER A 5 -7.296 2.269 -12.262 1.00 1.29 C ATOM 54 OG SER A 5 -7.476 1.285 -13.272 1.00 1.99 O ATOM 0 H SER A 5 -8.390 4.156 -13.815 1.00 1.51 H new ATOM 0 HA SER A 5 -9.324 2.420 -11.600 1.00 1.13 H new ATOM 0 HB2 SER A 5 -6.484 2.939 -12.544 1.00 1.29 H new ATOM 0 HB3 SER A 5 -7.002 1.787 -11.329 1.00 1.29 H new ATOM 0 HG SER A 5 -6.642 0.784 -13.393 1.00 1.99 H new ATOM 60 N LYS A 6 -8.779 4.135 -9.870 1.00 0.74 N ATOM 61 CA LYS A 6 -8.576 5.199 -8.902 1.00 0.49 C ATOM 62 C LYS A 6 -7.220 4.988 -8.250 1.00 0.39 C ATOM 63 O LYS A 6 -7.029 4.047 -7.492 1.00 0.48 O ATOM 64 CB LYS A 6 -9.694 5.219 -7.844 1.00 0.68 C ATOM 65 CG LYS A 6 -11.099 5.485 -8.395 1.00 0.95 C ATOM 66 CD LYS A 6 -11.661 4.284 -9.147 1.00 1.62 C ATOM 67 CE LYS A 6 -13.109 4.496 -9.574 1.00 2.01 C ATOM 68 NZ LYS A 6 -13.259 5.598 -10.563 1.00 2.61 N ATOM 0 H LYS A 6 -9.298 3.330 -9.519 1.00 0.74 H new ATOM 0 HA LYS A 6 -8.606 6.164 -9.408 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -9.699 4.261 -7.324 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.459 5.983 -7.103 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -11.767 5.741 -7.573 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.069 6.347 -9.062 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -11.049 4.091 -10.028 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -11.597 3.399 -8.514 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -13.496 3.572 -10.004 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -13.714 4.717 -8.695 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -13.931 5.311 -11.303 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -13.615 6.449 -10.083 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -12.336 5.804 -10.995 1.00 2.61 H new ATOM 82 N THR A 7 -6.276 5.857 -8.563 1.00 0.30 N ATOM 83 CA THR A 7 -4.882 5.583 -8.279 1.00 0.27 C ATOM 84 C THR A 7 -4.276 6.648 -7.377 1.00 0.21 C ATOM 85 O THR A 7 -4.353 7.838 -7.680 1.00 0.22 O ATOM 86 CB THR A 7 -4.090 5.518 -9.602 1.00 0.33 C ATOM 87 OG1 THR A 7 -4.726 4.601 -10.505 1.00 0.43 O ATOM 88 CG2 THR A 7 -2.652 5.092 -9.367 1.00 0.34 C ATOM 0 H THR A 7 -6.450 6.756 -9.013 1.00 0.30 H new ATOM 0 HA THR A 7 -4.825 4.627 -7.759 1.00 0.27 H new ATOM 0 HB THR A 7 -4.080 6.517 -10.038 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.254 3.743 -10.486 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.123 5.057 -10.319 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.163 5.809 -8.707 1.00 0.34 H new ATOM 0 HG23 THR A 7 -2.636 4.104 -8.906 1.00 0.34 H new ATOM 96 N PHE A 8 -3.691 6.227 -6.260 1.00 0.19 N ATOM 97 CA PHE A 8 -2.983 7.167 -5.407 1.00 0.18 C ATOM 98 C PHE A 8 -1.590 6.641 -5.071 1.00 0.19 C ATOM 99 O PHE A 8 -1.412 5.466 -4.727 1.00 0.22 O ATOM 100 CB PHE A 8 -3.806 7.497 -4.149 1.00 0.21 C ATOM 101 CG PHE A 8 -3.514 6.675 -2.925 1.00 0.23 C ATOM 102 CD1 PHE A 8 -4.101 5.433 -2.739 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.668 7.165 -1.946 1.00 0.27 C ATOM 104 CE1 PHE A 8 -3.844 4.697 -1.599 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.411 6.439 -0.805 1.00 0.36 C ATOM 106 CZ PHE A 8 -3.000 5.201 -0.630 1.00 0.40 C ATOM 0 H PHE A 8 -3.693 5.261 -5.932 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.851 8.103 -5.950 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.646 8.547 -3.902 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.862 7.384 -4.392 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.766 5.037 -3.493 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -2.203 8.131 -2.079 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -4.303 3.728 -1.466 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.751 6.836 -0.048 1.00 0.36 H new ATOM 0 HZ PHE A 8 -2.800 4.629 0.264 1.00 0.40 H new ATOM 116 N LEU A 9 -0.600 7.512 -5.230 1.00 0.18 N ATOM 117 CA LEU A 9 0.796 7.157 -5.022 1.00 0.20 C ATOM 118 C LEU A 9 1.102 6.991 -3.538 1.00 0.20 C ATOM 119 O LEU A 9 1.035 7.942 -2.762 1.00 0.33 O ATOM 120 CB LEU A 9 1.700 8.239 -5.635 1.00 0.22 C ATOM 121 CG LEU A 9 3.126 7.800 -6.011 1.00 0.27 C ATOM 122 CD1 LEU A 9 3.967 7.495 -4.781 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.077 6.587 -6.921 1.00 0.37 C ATOM 0 H LEU A 9 -0.744 8.483 -5.507 1.00 0.18 H new ATOM 0 HA LEU A 9 0.990 6.203 -5.513 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.213 8.625 -6.530 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.771 9.066 -4.929 1.00 0.22 H new ATOM 0 HG LEU A 9 3.598 8.630 -6.537 1.00 0.27 H new ATOM 0 HD11 LEU A 9 4.966 7.189 -5.090 1.00 0.30 H new ATOM 0 HD12 LEU A 9 4.037 8.387 -4.158 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.501 6.691 -4.212 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.092 6.286 -7.180 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.575 5.767 -6.408 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.529 6.836 -7.830 1.00 0.37 H new ATOM 135 N SER A 10 1.406 5.771 -3.148 1.00 0.32 N ATOM 136 CA SER A 10 1.878 5.496 -1.809 1.00 0.32 C ATOM 137 C SER A 10 3.363 5.194 -1.816 1.00 0.28 C ATOM 138 O SER A 10 3.953 4.920 -2.861 1.00 0.29 O ATOM 139 CB SER A 10 1.132 4.306 -1.233 1.00 0.41 C ATOM 140 OG SER A 10 -0.255 4.483 -1.374 1.00 1.10 O ATOM 0 H SER A 10 1.333 4.948 -3.746 1.00 0.32 H new ATOM 0 HA SER A 10 1.698 6.379 -1.196 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.442 3.393 -1.742 1.00 0.41 H new ATOM 0 HB3 SER A 10 1.385 4.185 -0.180 1.00 0.41 H new ATOM 0 HG SER A 10 -0.520 5.333 -0.964 1.00 1.10 H new ATOM 146 N ARG A 11 3.958 5.228 -0.643 1.00 0.28 N ATOM 147 CA ARG A 11 5.366 4.941 -0.507 1.00 0.30 C ATOM 148 C ARG A 11 5.695 4.475 0.903 1.00 0.21 C ATOM 149 O ARG A 11 5.090 4.901 1.888 1.00 0.21 O ATOM 150 CB ARG A 11 6.208 6.143 -0.941 1.00 0.51 C ATOM 151 CG ARG A 11 7.449 6.382 -0.104 1.00 0.99 C ATOM 152 CD ARG A 11 8.302 7.483 -0.697 1.00 1.00 C ATOM 153 NE ARG A 11 9.339 7.942 0.228 1.00 1.28 N ATOM 154 CZ ARG A 11 10.233 8.885 -0.063 1.00 1.70 C ATOM 155 NH1 ARG A 11 10.252 9.444 -1.267 1.00 1.99 N ATOM 156 NH2 ARG A 11 11.113 9.267 0.853 1.00 2.46 N ATOM 0 H ARG A 11 3.485 5.453 0.232 1.00 0.28 H new ATOM 0 HA ARG A 11 5.620 4.117 -1.174 1.00 0.30 H new ATOM 0 HB2 ARG A 11 6.508 6.003 -1.980 1.00 0.51 H new ATOM 0 HB3 ARG A 11 5.585 7.037 -0.907 1.00 0.51 H new ATOM 0 HG2 ARG A 11 7.160 6.649 0.913 1.00 0.99 H new ATOM 0 HG3 ARG A 11 8.030 5.462 -0.039 1.00 0.99 H new ATOM 0 HD2 ARG A 11 8.769 7.123 -1.614 1.00 1.00 H new ATOM 0 HD3 ARG A 11 7.666 8.324 -0.972 1.00 1.00 H new ATOM 0 HE ARG A 11 9.379 7.513 1.153 1.00 1.28 H new ATOM 0 HH11 ARG A 11 9.579 9.152 -1.976 1.00 1.99 H new ATOM 0 HH12 ARG A 11 10.939 10.166 -1.483 1.00 1.99 H new ATOM 0 HH21 ARG A 11 11.104 8.839 1.779 1.00 2.46 H new ATOM 0 HH22 ARG A 11 11.799 9.989 0.632 1.00 2.46 H new ATOM 170 N HIS A 12 6.636 3.564 0.968 1.00 0.25 N ATOM 171 CA HIS A 12 7.068 2.961 2.208 1.00 0.32 C ATOM 172 C HIS A 12 8.575 3.118 2.343 1.00 0.32 C ATOM 173 O HIS A 12 9.220 3.685 1.471 1.00 0.36 O ATOM 174 CB HIS A 12 6.690 1.474 2.254 1.00 0.36 C ATOM 175 CG HIS A 12 5.213 1.197 2.204 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.467 0.903 3.324 1.00 0.89 N ATOM 177 CD2 HIS A 12 4.351 1.128 1.159 1.00 0.41 C ATOM 178 CE1 HIS A 12 3.221 0.663 2.972 1.00 0.86 C ATOM 179 NE2 HIS A 12 3.120 0.792 1.665 1.00 0.51 N ATOM 0 H HIS A 12 7.132 3.214 0.148 1.00 0.25 H new ATOM 0 HA HIS A 12 6.569 3.463 3.037 1.00 0.32 H new ATOM 0 HB2 HIS A 12 7.169 0.966 1.417 1.00 0.36 H new ATOM 0 HB3 HIS A 12 7.096 1.038 3.167 1.00 0.36 H new ATOM 0 HD1 HIS A 12 4.825 0.875 4.279 1.00 0.89 H new ATOM 0 HD2 HIS A 12 4.589 1.305 0.121 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.416 0.404 3.643 1.00 0.86 H new ATOM 188 N SER A 13 9.112 2.651 3.445 1.00 0.32 N ATOM 189 CA SER A 13 10.545 2.648 3.669 1.00 0.35 C ATOM 190 C SER A 13 10.884 1.462 4.556 1.00 0.43 C ATOM 191 O SER A 13 10.139 1.197 5.496 1.00 0.91 O ATOM 192 CB SER A 13 10.989 3.963 4.322 1.00 0.68 C ATOM 193 OG SER A 13 12.400 4.035 4.434 1.00 1.70 O ATOM 0 H SER A 13 8.570 2.261 4.216 1.00 0.32 H new ATOM 0 HA SER A 13 11.073 2.561 2.719 1.00 0.35 H new ATOM 0 HB2 SER A 13 10.626 4.805 3.732 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.539 4.050 5.311 1.00 0.68 H new ATOM 0 HG SER A 13 12.790 4.205 3.551 1.00 1.70 H new ATOM 199 N MET A 14 11.985 0.765 4.223 1.00 0.27 N ATOM 200 CA MET A 14 12.463 -0.460 4.911 1.00 0.36 C ATOM 201 C MET A 14 11.349 -1.343 5.498 1.00 0.33 C ATOM 202 O MET A 14 10.975 -2.352 4.903 1.00 0.40 O ATOM 203 CB MET A 14 13.513 -0.121 5.983 1.00 0.56 C ATOM 204 CG MET A 14 13.122 0.995 6.941 1.00 1.35 C ATOM 205 SD MET A 14 14.323 1.215 8.265 1.00 1.76 S ATOM 206 CE MET A 14 14.266 -0.402 9.033 1.00 2.75 C ATOM 0 H MET A 14 12.587 1.041 3.447 1.00 0.27 H new ATOM 0 HA MET A 14 12.926 -1.060 4.128 1.00 0.36 H new ATOM 0 HB2 MET A 14 13.721 -1.020 6.563 1.00 0.56 H new ATOM 0 HB3 MET A 14 14.441 0.158 5.484 1.00 0.56 H new ATOM 0 HG2 MET A 14 13.022 1.928 6.386 1.00 1.35 H new ATOM 0 HG3 MET A 14 12.146 0.774 7.373 1.00 1.35 H new ATOM 0 HE1 MET A 14 14.575 -0.321 10.075 1.00 2.75 H new ATOM 0 HE2 MET A 14 13.249 -0.792 8.985 1.00 2.75 H new ATOM 0 HE3 MET A 14 14.939 -1.079 8.506 1.00 2.75 H new ATOM 216 N ASP A 15 10.824 -0.941 6.647 1.00 0.36 N ATOM 217 CA ASP A 15 9.835 -1.715 7.390 1.00 0.41 C ATOM 218 C ASP A 15 8.547 -1.911 6.591 1.00 0.34 C ATOM 219 O ASP A 15 7.807 -2.869 6.815 1.00 0.41 O ATOM 220 CB ASP A 15 9.536 -0.987 8.702 1.00 0.56 C ATOM 221 CG ASP A 15 8.264 -1.461 9.365 1.00 1.18 C ATOM 222 OD1 ASP A 15 8.282 -2.544 9.978 1.00 2.07 O ATOM 223 OD2 ASP A 15 7.240 -0.766 9.247 1.00 1.49 O ATOM 0 H ASP A 15 11.074 -0.060 7.095 1.00 0.36 H new ATOM 0 HA ASP A 15 10.242 -2.707 7.587 1.00 0.41 H new ATOM 0 HB2 ASP A 15 10.371 -1.129 9.388 1.00 0.56 H new ATOM 0 HB3 ASP A 15 9.461 0.083 8.508 1.00 0.56 H new ATOM 228 N MET A 16 8.320 -1.017 5.634 1.00 0.29 N ATOM 229 CA MET A 16 7.088 -0.998 4.855 1.00 0.35 C ATOM 230 C MET A 16 5.886 -0.739 5.765 1.00 0.37 C ATOM 231 O MET A 16 5.019 -1.591 5.939 1.00 0.69 O ATOM 232 CB MET A 16 6.914 -2.305 4.055 1.00 0.49 C ATOM 233 CG MET A 16 5.686 -2.319 3.152 1.00 0.67 C ATOM 234 SD MET A 16 5.622 -3.750 2.059 1.00 0.73 S ATOM 235 CE MET A 16 7.074 -3.467 1.052 1.00 0.48 C ATOM 0 H MET A 16 8.984 -0.287 5.377 1.00 0.29 H new ATOM 0 HA MET A 16 7.151 -0.182 4.135 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.803 -2.467 3.445 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.849 -3.140 4.752 1.00 0.49 H new ATOM 0 HG2 MET A 16 4.789 -2.302 3.770 1.00 0.67 H new ATOM 0 HG3 MET A 16 5.675 -1.410 2.550 1.00 0.67 H new ATOM 0 HE1 MET A 16 6.770 -3.115 0.066 1.00 0.48 H new ATOM 0 HE2 MET A 16 7.705 -2.716 1.527 1.00 0.48 H new ATOM 0 HE3 MET A 16 7.632 -4.398 0.949 1.00 0.48 H new ATOM 245 N LYS A 17 5.834 0.460 6.338 1.00 0.31 N ATOM 246 CA LYS A 17 4.724 0.831 7.209 1.00 0.31 C ATOM 247 C LYS A 17 3.740 1.714 6.456 1.00 0.27 C ATOM 248 O LYS A 17 2.588 1.365 6.320 1.00 0.29 O ATOM 249 CB LYS A 17 5.236 1.564 8.459 1.00 0.42 C ATOM 250 CG LYS A 17 6.234 2.673 8.156 1.00 0.59 C ATOM 251 CD LYS A 17 6.838 3.260 9.421 1.00 0.70 C ATOM 252 CE LYS A 17 7.757 2.269 10.114 1.00 0.98 C ATOM 253 NZ LYS A 17 8.436 2.878 11.286 1.00 1.40 N ATOM 0 H LYS A 17 6.541 1.185 6.216 1.00 0.31 H new ATOM 0 HA LYS A 17 4.216 -0.080 7.525 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.386 1.989 8.993 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.703 0.840 9.127 1.00 0.42 H new ATOM 0 HG2 LYS A 17 7.030 2.281 7.523 1.00 0.59 H new ATOM 0 HG3 LYS A 17 5.738 3.462 7.592 1.00 0.59 H new ATOM 0 HD2 LYS A 17 7.396 4.163 9.173 1.00 0.70 H new ATOM 0 HD3 LYS A 17 6.040 3.555 10.103 1.00 0.70 H new ATOM 0 HE2 LYS A 17 7.180 1.402 10.437 1.00 0.98 H new ATOM 0 HE3 LYS A 17 8.504 1.909 9.407 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 9.055 2.172 11.734 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 9.006 3.690 10.974 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 7.723 3.199 11.972 1.00 1.40 H new ATOM 267 N PHE A 18 4.264 2.822 5.934 1.00 0.29 N ATOM 268 CA PHE A 18 3.529 3.839 5.172 1.00 0.30 C ATOM 269 C PHE A 18 4.177 5.177 5.479 1.00 0.38 C ATOM 270 O PHE A 18 3.808 5.872 6.416 1.00 0.68 O ATOM 271 CB PHE A 18 2.022 3.898 5.475 1.00 0.27 C ATOM 272 CG PHE A 18 1.166 3.309 4.375 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.016 3.954 3.151 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.501 2.111 4.571 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.221 3.414 2.158 1.00 0.46 C ATOM 276 CE2 PHE A 18 -0.290 1.566 3.578 1.00 0.38 C ATOM 277 CZ PHE A 18 -0.388 2.232 2.331 1.00 0.44 C ATOM 0 H PHE A 18 5.254 3.048 6.033 1.00 0.29 H new ATOM 0 HA PHE A 18 3.589 3.578 4.115 1.00 0.30 H new ATOM 0 HB2 PHE A 18 1.824 3.364 6.405 1.00 0.27 H new ATOM 0 HB3 PHE A 18 1.731 4.936 5.635 1.00 0.27 H new ATOM 0 HD1 PHE A 18 1.528 4.889 2.975 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.602 1.595 5.514 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.088 3.951 1.230 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.827 0.645 3.750 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.951 1.789 1.523 1.00 0.44 H new ATOM 287 N THR A 19 5.196 5.479 4.712 1.00 0.21 N ATOM 288 CA THR A 19 6.073 6.600 4.987 1.00 0.23 C ATOM 289 C THR A 19 5.711 7.804 4.116 1.00 0.22 C ATOM 290 O THR A 19 6.153 8.923 4.367 1.00 0.26 O ATOM 291 CB THR A 19 7.534 6.170 4.743 1.00 0.30 C ATOM 292 OG1 THR A 19 7.647 4.748 4.928 1.00 0.63 O ATOM 293 CG2 THR A 19 8.485 6.855 5.712 1.00 0.43 C ATOM 0 H THR A 19 5.445 4.954 3.874 1.00 0.21 H new ATOM 0 HA THR A 19 5.953 6.901 6.028 1.00 0.23 H new ATOM 0 HB THR A 19 7.802 6.456 3.726 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.397 4.555 5.528 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.506 6.529 5.512 1.00 0.43 H new ATOM 0 HG22 THR A 19 8.418 7.936 5.585 1.00 0.43 H new ATOM 0 HG23 THR A 19 8.214 6.592 6.735 1.00 0.43 H new ATOM 301 N TYR A 20 4.906 7.558 3.086 1.00 0.21 N ATOM 302 CA TYR A 20 4.373 8.618 2.242 1.00 0.23 C ATOM 303 C TYR A 20 3.039 8.173 1.643 1.00 0.21 C ATOM 304 O TYR A 20 2.895 7.025 1.222 1.00 0.22 O ATOM 305 CB TYR A 20 5.381 8.968 1.141 1.00 0.31 C ATOM 306 CG TYR A 20 4.835 9.858 0.044 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.116 9.327 -1.023 1.00 0.46 C ATOM 308 CD2 TYR A 20 5.048 11.227 0.072 1.00 0.48 C ATOM 309 CE1 TYR A 20 3.619 10.136 -2.024 1.00 0.57 C ATOM 310 CE2 TYR A 20 4.554 12.044 -0.926 1.00 0.60 C ATOM 311 CZ TYR A 20 3.843 11.493 -1.973 1.00 0.64 C ATOM 312 OH TYR A 20 3.353 12.304 -2.971 1.00 0.77 O ATOM 0 H TYR A 20 4.607 6.621 2.815 1.00 0.21 H new ATOM 0 HA TYR A 20 4.203 9.512 2.842 1.00 0.23 H new ATOM 0 HB2 TYR A 20 6.240 9.461 1.597 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.745 8.043 0.693 1.00 0.31 H new ATOM 0 HD1 TYR A 20 3.944 8.262 -1.068 1.00 0.46 H new ATOM 0 HD2 TYR A 20 5.609 11.662 0.886 1.00 0.48 H new ATOM 0 HE1 TYR A 20 3.058 9.708 -2.842 1.00 0.57 H new ATOM 0 HE2 TYR A 20 4.723 13.110 -0.887 1.00 0.60 H new ATOM 0 HH TYR A 20 3.597 13.235 -2.785 1.00 0.77 H new ATOM 322 N CYS A 21 2.065 9.075 1.628 1.00 0.19 N ATOM 323 CA CYS A 21 0.744 8.777 1.090 1.00 0.19 C ATOM 324 C CYS A 21 0.222 9.960 0.285 1.00 0.18 C ATOM 325 O CYS A 21 0.402 11.112 0.681 1.00 0.21 O ATOM 326 CB CYS A 21 -0.223 8.470 2.234 1.00 0.20 C ATOM 327 SG CYS A 21 0.283 7.102 3.292 1.00 0.34 S ATOM 0 H CYS A 21 2.167 10.025 1.985 1.00 0.19 H new ATOM 0 HA CYS A 21 0.820 7.909 0.435 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.337 9.364 2.847 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.203 8.245 1.814 1.00 0.20 H new ATOM 0 HG CYS A 21 0.337 6.008 2.591 1.00 0.34 H new ATOM 333 N ASP A 22 -0.392 9.677 -0.855 1.00 0.17 N ATOM 334 CA ASP A 22 -1.009 10.716 -1.677 1.00 0.18 C ATOM 335 C ASP A 22 -2.331 11.177 -1.064 1.00 0.18 C ATOM 336 O ASP A 22 -2.941 10.456 -0.276 1.00 0.20 O ATOM 337 CB ASP A 22 -1.234 10.202 -3.099 1.00 0.20 C ATOM 338 CG ASP A 22 -1.749 11.278 -4.033 1.00 0.27 C ATOM 339 OD1 ASP A 22 -0.926 12.022 -4.605 1.00 0.67 O ATOM 340 OD2 ASP A 22 -2.979 11.376 -4.207 1.00 0.55 O ATOM 0 H ASP A 22 -0.478 8.734 -1.235 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.333 11.570 -1.715 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.297 9.804 -3.490 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -1.945 9.376 -3.075 1.00 0.20 H new ATOM 345 N ASP A 23 -2.776 12.370 -1.446 1.00 0.20 N ATOM 346 CA ASP A 23 -3.946 13.003 -0.836 1.00 0.23 C ATOM 347 C ASP A 23 -5.229 12.242 -1.131 1.00 0.21 C ATOM 348 O ASP A 23 -6.182 12.308 -0.360 1.00 0.23 O ATOM 349 CB ASP A 23 -4.094 14.449 -1.304 1.00 0.31 C ATOM 350 CG ASP A 23 -3.077 15.375 -0.676 1.00 1.33 C ATOM 351 OD1 ASP A 23 -3.348 15.904 0.422 1.00 2.12 O ATOM 352 OD2 ASP A 23 -2.006 15.588 -1.281 1.00 1.97 O ATOM 0 H ASP A 23 -2.340 12.925 -2.183 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.780 12.987 0.241 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -3.993 14.487 -2.389 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -5.097 14.803 -1.065 1.00 0.31 H new ATOM 357 N ARG A 24 -5.249 11.528 -2.252 1.00 0.20 N ATOM 358 CA ARG A 24 -6.417 10.746 -2.660 1.00 0.21 C ATOM 359 C ARG A 24 -6.805 9.702 -1.607 1.00 0.19 C ATOM 360 O ARG A 24 -7.941 9.226 -1.583 1.00 0.21 O ATOM 361 CB ARG A 24 -6.167 10.068 -4.005 1.00 0.24 C ATOM 362 CG ARG A 24 -6.384 10.970 -5.211 1.00 0.66 C ATOM 363 CD ARG A 24 -7.833 11.430 -5.325 1.00 1.23 C ATOM 364 NE ARG A 24 -8.126 11.962 -6.657 1.00 1.64 N ATOM 365 CZ ARG A 24 -9.264 12.568 -7.004 1.00 2.49 C ATOM 366 NH1 ARG A 24 -10.214 12.793 -6.103 1.00 3.22 N ATOM 367 NH2 ARG A 24 -9.440 12.965 -8.258 1.00 2.98 N ATOM 0 H ARG A 24 -4.464 11.473 -2.901 1.00 0.20 H new ATOM 0 HA ARG A 24 -7.251 11.441 -2.760 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -5.143 9.694 -4.025 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.824 9.203 -4.090 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -5.732 11.840 -5.135 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -6.100 10.437 -6.118 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -8.499 10.594 -5.112 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -8.033 12.195 -4.575 1.00 1.23 H new ATOM 0 HE ARG A 24 -7.407 11.862 -7.374 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -10.078 12.502 -5.135 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -11.079 13.257 -6.379 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -8.708 12.807 -8.951 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -10.307 13.428 -8.529 1.00 2.98 H new ATOM 381 N ILE A 25 -5.858 9.351 -0.740 1.00 0.17 N ATOM 382 CA ILE A 25 -6.066 8.294 0.247 1.00 0.18 C ATOM 383 C ILE A 25 -7.265 8.624 1.152 1.00 0.19 C ATOM 384 O ILE A 25 -8.030 7.738 1.519 1.00 0.21 O ATOM 385 CB ILE A 25 -4.771 8.063 1.082 1.00 0.19 C ATOM 386 CG1 ILE A 25 -4.833 6.754 1.881 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.498 9.238 2.012 1.00 0.19 C ATOM 388 CD1 ILE A 25 -5.520 6.869 3.221 1.00 0.76 C ATOM 0 H ILE A 25 -4.936 9.785 -0.701 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.294 7.367 -0.280 1.00 0.18 H new ATOM 0 HB ILE A 25 -3.947 7.983 0.373 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -5.352 6.003 1.284 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -3.817 6.391 2.038 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.588 9.048 2.581 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.374 10.147 1.423 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.336 9.361 2.698 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -5.518 5.898 3.716 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -4.990 7.593 3.840 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -6.548 7.200 3.075 1.00 0.76 H new ATOM 400 N THR A 26 -7.421 9.904 1.485 1.00 0.20 N ATOM 401 CA THR A 26 -8.560 10.372 2.281 1.00 0.22 C ATOM 402 C THR A 26 -9.894 9.909 1.688 1.00 0.25 C ATOM 403 O THR A 26 -10.833 9.574 2.413 1.00 0.31 O ATOM 404 CB THR A 26 -8.571 11.911 2.394 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.616 12.500 1.088 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.341 12.411 3.128 1.00 0.26 C ATOM 0 H THR A 26 -6.770 10.641 1.215 1.00 0.20 H new ATOM 0 HA THR A 26 -8.443 9.937 3.273 1.00 0.22 H new ATOM 0 HB THR A 26 -9.458 12.200 2.958 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.740 12.411 0.658 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.374 13.499 3.194 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.319 11.987 4.132 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.445 12.107 2.586 1.00 0.26 H new ATOM 414 N GLU A 27 -9.954 9.885 0.369 1.00 0.25 N ATOM 415 CA GLU A 27 -11.171 9.522 -0.342 1.00 0.30 C ATOM 416 C GLU A 27 -11.256 8.019 -0.600 1.00 0.33 C ATOM 417 O GLU A 27 -12.340 7.490 -0.848 1.00 0.43 O ATOM 418 CB GLU A 27 -11.243 10.283 -1.663 1.00 0.38 C ATOM 419 CG GLU A 27 -11.205 11.791 -1.489 1.00 0.55 C ATOM 420 CD GLU A 27 -11.238 12.530 -2.806 1.00 1.43 C ATOM 421 OE1 GLU A 27 -10.166 12.709 -3.421 1.00 2.28 O ATOM 422 OE2 GLU A 27 -12.334 12.947 -3.232 1.00 1.63 O ATOM 0 H GLU A 27 -9.167 10.115 -0.238 1.00 0.25 H new ATOM 0 HA GLU A 27 -12.018 9.794 0.288 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.411 9.976 -2.297 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.160 10.007 -2.184 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -12.053 12.104 -0.880 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -10.302 12.067 -0.944 1.00 0.55 H new ATOM 429 N LEU A 28 -10.122 7.331 -0.535 1.00 0.27 N ATOM 430 CA LEU A 28 -10.078 5.912 -0.881 1.00 0.30 C ATOM 431 C LEU A 28 -10.059 5.019 0.363 1.00 0.31 C ATOM 432 O LEU A 28 -10.909 4.142 0.526 1.00 0.35 O ATOM 433 CB LEU A 28 -8.850 5.630 -1.748 1.00 0.30 C ATOM 434 CG LEU A 28 -8.750 6.482 -3.019 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.448 6.204 -3.750 1.00 0.31 C ATOM 436 CD2 LEU A 28 -9.940 6.227 -3.935 1.00 0.32 C ATOM 0 H LEU A 28 -9.227 7.727 -0.249 1.00 0.27 H new ATOM 0 HA LEU A 28 -10.985 5.677 -1.438 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -7.954 5.791 -1.148 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -8.858 4.578 -2.033 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.762 7.532 -2.725 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -7.397 6.819 -4.649 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.607 6.443 -3.099 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.404 5.151 -4.028 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.848 6.842 -4.830 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -9.962 5.175 -4.218 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.862 6.482 -3.413 1.00 0.32 H new ATOM 448 N ILE A 29 -9.097 5.261 1.241 1.00 0.28 N ATOM 449 CA ILE A 29 -8.915 4.440 2.437 1.00 0.30 C ATOM 450 C ILE A 29 -9.492 5.166 3.654 1.00 0.29 C ATOM 451 O ILE A 29 -9.671 4.593 4.728 1.00 0.33 O ATOM 452 CB ILE A 29 -7.418 4.115 2.662 1.00 0.30 C ATOM 453 CG1 ILE A 29 -6.823 3.492 1.396 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.230 3.173 3.844 1.00 0.34 C ATOM 455 CD1 ILE A 29 -5.349 3.167 1.505 1.00 1.10 C ATOM 0 H ILE A 29 -8.425 6.023 1.150 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.445 3.498 2.297 1.00 0.30 H new ATOM 0 HB ILE A 29 -6.898 5.047 2.886 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -7.370 2.579 1.161 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -6.973 4.177 0.561 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.169 2.963 3.977 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -7.624 3.639 4.747 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -7.763 2.241 3.655 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -5.003 2.729 0.569 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -4.789 4.080 1.708 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -5.192 2.457 2.317 1.00 1.10 H new ATOM 467 N GLY A 30 -9.808 6.435 3.455 1.00 0.27 N ATOM 468 CA GLY A 30 -10.473 7.218 4.477 1.00 0.29 C ATOM 469 C GLY A 30 -9.553 7.884 5.487 1.00 0.28 C ATOM 470 O GLY A 30 -9.946 8.873 6.110 1.00 0.32 O ATOM 0 H GLY A 30 -9.613 6.943 2.592 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.069 7.989 3.990 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.166 6.570 5.014 1.00 0.29 H new ATOM 474 N TYR A 31 -8.337 7.381 5.671 1.00 0.28 N ATOM 475 CA TYR A 31 -7.423 8.004 6.613 1.00 0.33 C ATOM 476 C TYR A 31 -6.747 9.194 5.958 1.00 0.34 C ATOM 477 O TYR A 31 -7.007 9.503 4.796 1.00 0.43 O ATOM 478 CB TYR A 31 -6.366 7.015 7.102 1.00 0.38 C ATOM 479 CG TYR A 31 -6.917 5.798 7.807 1.00 0.37 C ATOM 480 CD1 TYR A 31 -7.334 5.865 9.130 1.00 0.45 C ATOM 481 CD2 TYR A 31 -7.002 4.578 7.152 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.819 4.746 9.781 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.491 3.458 7.792 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.897 3.546 9.107 1.00 0.46 C ATOM 485 OH TYR A 31 -8.374 2.426 9.750 1.00 0.53 O ATOM 0 H TYR A 31 -7.969 6.560 5.190 1.00 0.28 H new ATOM 0 HA TYR A 31 -8.000 8.335 7.476 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -5.774 6.686 6.248 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.688 7.534 7.779 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -7.279 6.805 9.658 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.680 4.504 6.124 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -8.135 4.812 10.812 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.556 2.517 7.266 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.364 1.665 9.132 1.00 0.53 H new ATOM 495 N HIS A 32 -5.883 9.859 6.692 1.00 0.31 N ATOM 496 CA HIS A 32 -5.103 10.944 6.130 1.00 0.34 C ATOM 497 C HIS A 32 -3.783 10.405 5.634 1.00 0.23 C ATOM 498 O HIS A 32 -3.321 9.374 6.113 1.00 0.23 O ATOM 499 CB HIS A 32 -4.822 12.022 7.173 1.00 0.52 C ATOM 500 CG HIS A 32 -5.718 13.211 7.101 1.00 0.68 C ATOM 501 ND1 HIS A 32 -5.815 14.019 5.991 1.00 1.52 N ATOM 502 CD2 HIS A 32 -6.536 13.748 8.028 1.00 1.52 C ATOM 503 CE1 HIS A 32 -6.654 15.002 6.241 1.00 1.90 C ATOM 504 NE2 HIS A 32 -7.110 14.863 7.471 1.00 1.89 N ATOM 0 H HIS A 32 -5.701 9.670 7.678 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.676 11.383 5.313 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -4.909 11.579 8.165 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -3.790 12.355 7.062 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -6.708 13.370 9.025 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -6.924 15.790 5.554 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -7.778 15.481 7.931 1.00 1.89 H new ATOM 513 N PRO A 33 -3.142 11.087 4.683 1.00 0.24 N ATOM 514 CA PRO A 33 -1.778 10.755 4.311 1.00 0.27 C ATOM 515 C PRO A 33 -0.897 10.850 5.541 1.00 0.25 C ATOM 516 O PRO A 33 -0.146 9.935 5.856 1.00 0.29 O ATOM 517 CB PRO A 33 -1.406 11.822 3.276 1.00 0.34 C ATOM 518 CG PRO A 33 -2.707 12.334 2.762 1.00 0.33 C ATOM 519 CD PRO A 33 -3.680 12.212 3.901 1.00 0.29 C ATOM 0 HA PRO A 33 -1.660 9.748 3.911 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -0.818 12.621 3.728 1.00 0.34 H new ATOM 0 HB3 PRO A 33 -0.804 11.399 2.472 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.617 13.370 2.435 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -3.041 11.756 1.900 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -3.726 13.127 4.491 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -4.691 12.010 3.547 1.00 0.29 H new ATOM 527 N GLU A 34 -1.107 11.933 6.287 1.00 0.25 N ATOM 528 CA GLU A 34 -0.352 12.232 7.502 1.00 0.30 C ATOM 529 C GLU A 34 -0.656 11.206 8.594 1.00 0.28 C ATOM 530 O GLU A 34 0.064 11.103 9.588 1.00 0.32 O ATOM 531 CB GLU A 34 -0.729 13.628 7.995 1.00 0.37 C ATOM 532 CG GLU A 34 -1.994 13.620 8.808 1.00 1.01 C ATOM 533 CD GLU A 34 -2.818 14.874 8.621 1.00 1.68 C ATOM 534 OE1 GLU A 34 -3.273 15.121 7.485 1.00 2.13 O ATOM 535 OE2 GLU A 34 -3.027 15.607 9.610 1.00 2.14 O ATOM 0 H GLU A 34 -1.813 12.634 6.063 1.00 0.25 H new ATOM 0 HA GLU A 34 0.713 12.190 7.274 1.00 0.30 H new ATOM 0 HB2 GLU A 34 0.085 14.031 8.597 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.853 14.293 7.140 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -2.593 12.752 8.531 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -1.742 13.510 9.863 1.00 1.01 H new ATOM 542 N GLU A 35 -1.728 10.446 8.392 1.00 0.26 N ATOM 543 CA GLU A 35 -2.166 9.471 9.374 1.00 0.29 C ATOM 544 C GLU A 35 -1.360 8.203 9.215 1.00 0.29 C ATOM 545 O GLU A 35 -0.735 7.730 10.163 1.00 0.43 O ATOM 546 CB GLU A 35 -3.662 9.171 9.231 1.00 0.34 C ATOM 547 CG GLU A 35 -4.525 9.890 10.254 1.00 0.61 C ATOM 548 CD GLU A 35 -5.964 9.415 10.237 1.00 1.23 C ATOM 549 OE1 GLU A 35 -6.709 9.805 9.317 1.00 1.71 O ATOM 550 OE2 GLU A 35 -6.349 8.645 11.141 1.00 1.81 O ATOM 0 H GLU A 35 -2.308 10.490 7.554 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.006 9.884 10.370 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -3.987 9.454 8.230 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -3.820 8.097 9.325 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -4.107 9.737 11.249 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -4.497 10.962 10.058 1.00 0.61 H new ATOM 557 N LEU A 36 -1.366 7.665 8.003 1.00 0.27 N ATOM 558 CA LEU A 36 -0.641 6.446 7.711 1.00 0.29 C ATOM 559 C LEU A 36 0.855 6.653 7.881 1.00 0.32 C ATOM 560 O LEU A 36 1.597 5.697 8.097 1.00 0.46 O ATOM 561 CB LEU A 36 -0.935 5.935 6.294 1.00 0.29 C ATOM 562 CG LEU A 36 -2.306 5.280 6.091 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.398 6.321 6.051 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.322 4.449 4.818 1.00 0.29 C ATOM 0 H LEU A 36 -1.868 8.059 7.207 1.00 0.27 H new ATOM 0 HA LEU A 36 -0.982 5.694 8.422 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.847 6.772 5.601 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.165 5.213 6.021 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.492 4.619 6.938 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.361 5.832 5.906 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.409 6.873 6.991 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -3.213 7.010 5.227 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.304 3.993 4.693 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -2.108 5.090 3.963 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.565 3.667 4.884 1.00 0.29 H new ATOM 576 N LEU A 37 1.275 7.914 7.783 1.00 0.41 N ATOM 577 CA LEU A 37 2.679 8.284 7.884 1.00 0.48 C ATOM 578 C LEU A 37 3.310 7.822 9.193 1.00 0.60 C ATOM 579 O LEU A 37 3.274 8.526 10.205 1.00 1.27 O ATOM 580 CB LEU A 37 2.855 9.794 7.743 1.00 0.76 C ATOM 581 CG LEU A 37 2.556 10.379 6.362 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.419 11.603 6.114 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.781 9.345 5.268 1.00 0.94 C ATOM 0 H LEU A 37 0.649 8.705 7.631 1.00 0.41 H new ATOM 0 HA LEU A 37 3.190 7.777 7.066 1.00 0.48 H new ATOM 0 HB2 LEU A 37 2.209 10.284 8.471 1.00 0.76 H new ATOM 0 HB3 LEU A 37 3.882 10.046 8.008 1.00 0.76 H new ATOM 0 HG LEU A 37 1.507 10.673 6.338 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.197 12.011 5.128 1.00 0.77 H new ATOM 0 HD12 LEU A 37 3.209 12.356 6.874 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.471 11.322 6.162 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.561 9.789 4.297 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.819 9.014 5.288 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.124 8.491 5.434 1.00 0.94 H new ATOM 595 N GLY A 38 3.845 6.615 9.167 1.00 0.31 N ATOM 596 CA GLY A 38 4.635 6.125 10.271 1.00 0.44 C ATOM 597 C GLY A 38 3.900 5.114 11.127 1.00 0.42 C ATOM 598 O GLY A 38 4.031 5.127 12.350 1.00 0.54 O ATOM 0 H GLY A 38 3.744 5.960 8.392 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.546 5.670 9.884 1.00 0.44 H new ATOM 0 HA3 GLY A 38 4.939 6.966 10.894 1.00 0.44 H new ATOM 602 N ARG A 39 3.116 4.239 10.506 1.00 0.34 N ATOM 603 CA ARG A 39 2.481 3.167 11.235 1.00 0.37 C ATOM 604 C ARG A 39 2.552 1.870 10.454 1.00 0.35 C ATOM 605 O ARG A 39 2.292 1.855 9.252 1.00 0.48 O ATOM 606 CB ARG A 39 1.034 3.514 11.503 1.00 0.48 C ATOM 607 CG ARG A 39 0.238 3.795 10.249 1.00 0.48 C ATOM 608 CD ARG A 39 -1.185 4.211 10.592 1.00 0.69 C ATOM 609 NE ARG A 39 -1.217 5.409 11.428 1.00 1.38 N ATOM 610 CZ ARG A 39 -2.051 5.587 12.452 1.00 1.72 C ATOM 611 NH1 ARG A 39 -2.916 4.639 12.789 1.00 1.80 N ATOM 612 NH2 ARG A 39 -2.000 6.713 13.152 1.00 2.61 N ATOM 0 H ARG A 39 2.911 4.257 9.507 1.00 0.34 H new ATOM 0 HA ARG A 39 3.008 3.037 12.180 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.566 2.692 12.044 1.00 0.48 H new ATOM 0 HB3 ARG A 39 0.993 4.388 12.153 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.723 4.584 9.674 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.219 2.906 9.618 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.741 4.395 9.673 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.687 3.394 11.110 1.00 0.69 H new ATOM 0 HE ARG A 39 -0.558 6.158 11.214 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -2.946 3.766 12.263 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -3.551 4.784 13.574 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -1.325 7.437 12.905 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -2.636 6.855 13.937 1.00 2.61 H new ATOM 626 N SER A 40 2.977 0.812 11.131 1.00 0.37 N ATOM 627 CA SER A 40 2.969 -0.535 10.574 1.00 0.43 C ATOM 628 C SER A 40 1.689 -0.823 9.789 1.00 0.39 C ATOM 629 O SER A 40 0.621 -1.049 10.363 1.00 0.43 O ATOM 630 CB SER A 40 3.146 -1.558 11.693 1.00 0.57 C ATOM 631 OG SER A 40 4.351 -1.319 12.403 1.00 1.23 O ATOM 0 H SER A 40 3.338 0.863 12.084 1.00 0.37 H new ATOM 0 HA SER A 40 3.801 -0.611 9.874 1.00 0.43 H new ATOM 0 HB2 SER A 40 2.299 -1.507 12.377 1.00 0.57 H new ATOM 0 HB3 SER A 40 3.158 -2.564 11.274 1.00 0.57 H new ATOM 0 HG SER A 40 4.447 -1.983 13.117 1.00 1.23 H new ATOM 637 N ALA A 41 1.828 -0.779 8.466 1.00 0.35 N ATOM 638 CA ALA A 41 0.738 -1.071 7.544 1.00 0.34 C ATOM 639 C ALA A 41 0.030 -2.358 7.915 1.00 0.33 C ATOM 640 O ALA A 41 -1.182 -2.447 7.807 1.00 0.33 O ATOM 641 CB ALA A 41 1.262 -1.178 6.122 1.00 0.35 C ATOM 0 H ALA A 41 2.705 -0.539 8.003 1.00 0.35 H new ATOM 0 HA ALA A 41 0.024 -0.250 7.611 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.436 -1.396 5.445 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.728 -0.235 5.834 1.00 0.35 H new ATOM 0 HB3 ALA A 41 1.999 -1.979 6.065 1.00 0.35 H new ATOM 647 N TYR A 42 0.809 -3.319 8.408 1.00 0.37 N ATOM 648 CA TYR A 42 0.366 -4.698 8.636 1.00 0.42 C ATOM 649 C TYR A 42 -0.956 -4.807 9.410 1.00 0.47 C ATOM 650 O TYR A 42 -1.612 -5.846 9.358 1.00 0.55 O ATOM 651 CB TYR A 42 1.471 -5.466 9.363 1.00 0.47 C ATOM 652 CG TYR A 42 2.788 -5.441 8.618 1.00 0.54 C ATOM 653 CD1 TYR A 42 3.687 -4.397 8.799 1.00 0.67 C ATOM 654 CD2 TYR A 42 3.125 -6.449 7.724 1.00 0.72 C ATOM 655 CE1 TYR A 42 4.882 -4.356 8.111 1.00 0.84 C ATOM 656 CE2 TYR A 42 4.323 -6.416 7.032 1.00 0.90 C ATOM 657 CZ TYR A 42 5.196 -5.365 7.228 1.00 0.91 C ATOM 658 OH TYR A 42 6.387 -5.325 6.540 1.00 1.14 O ATOM 0 H TYR A 42 1.783 -3.161 8.666 1.00 0.37 H new ATOM 0 HA TYR A 42 0.171 -5.135 7.657 1.00 0.42 H new ATOM 0 HB2 TYR A 42 1.612 -5.039 10.356 1.00 0.47 H new ATOM 0 HB3 TYR A 42 1.157 -6.500 9.503 1.00 0.47 H new ATOM 0 HD1 TYR A 42 3.446 -3.603 9.491 1.00 0.67 H new ATOM 0 HD2 TYR A 42 2.442 -7.271 7.567 1.00 0.72 H new ATOM 0 HE1 TYR A 42 5.568 -3.536 8.264 1.00 0.84 H new ATOM 0 HE2 TYR A 42 4.574 -7.208 6.342 1.00 0.90 H new ATOM 0 HH TYR A 42 6.809 -4.449 6.667 1.00 1.14 H new ATOM 668 N GLU A 43 -1.340 -3.755 10.123 1.00 0.48 N ATOM 669 CA GLU A 43 -2.635 -3.725 10.797 1.00 0.56 C ATOM 670 C GLU A 43 -3.778 -3.657 9.781 1.00 0.57 C ATOM 671 O GLU A 43 -4.533 -4.613 9.609 1.00 1.01 O ATOM 672 CB GLU A 43 -2.731 -2.528 11.744 1.00 0.65 C ATOM 673 CG GLU A 43 -1.736 -2.558 12.889 1.00 0.95 C ATOM 674 CD GLU A 43 -1.951 -1.411 13.856 1.00 1.72 C ATOM 675 OE1 GLU A 43 -2.889 -1.492 14.678 1.00 1.89 O ATOM 676 OE2 GLU A 43 -1.196 -0.419 13.789 1.00 2.57 O ATOM 0 H GLU A 43 -0.777 -2.914 10.250 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.723 -4.645 11.374 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -2.581 -1.613 11.171 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -3.740 -2.485 12.155 1.00 0.65 H new ATOM 0 HG2 GLU A 43 -1.825 -3.504 13.423 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -0.723 -2.511 12.490 1.00 0.95 H new ATOM 683 N PHE A 44 -3.893 -2.509 9.122 1.00 0.40 N ATOM 684 CA PHE A 44 -4.964 -2.254 8.161 1.00 0.38 C ATOM 685 C PHE A 44 -4.647 -2.831 6.780 1.00 0.30 C ATOM 686 O PHE A 44 -5.490 -2.824 5.880 1.00 0.40 O ATOM 687 CB PHE A 44 -5.214 -0.743 8.059 1.00 0.48 C ATOM 688 CG PHE A 44 -3.964 0.069 7.852 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.482 0.309 6.574 1.00 0.62 C ATOM 690 CD2 PHE A 44 -3.273 0.594 8.931 1.00 0.50 C ATOM 691 CE1 PHE A 44 -2.336 1.053 6.379 1.00 0.77 C ATOM 692 CE2 PHE A 44 -2.126 1.337 8.741 1.00 0.56 C ATOM 693 CZ PHE A 44 -1.654 1.566 7.477 1.00 0.70 C ATOM 0 H PHE A 44 -3.247 -1.728 9.238 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.863 -2.754 8.521 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -5.900 -0.553 7.233 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.709 -0.404 8.969 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -4.010 -0.091 5.721 1.00 0.62 H new ATOM 0 HD2 PHE A 44 -3.636 0.420 9.933 1.00 0.50 H new ATOM 0 HE1 PHE A 44 -1.971 1.236 5.379 1.00 0.77 H new ATOM 0 HE2 PHE A 44 -1.599 1.739 9.593 1.00 0.56 H new ATOM 0 HZ PHE A 44 -0.753 2.144 7.332 1.00 0.70 H new ATOM 703 N TYR A 45 -3.421 -3.298 6.607 1.00 0.29 N ATOM 704 CA TYR A 45 -2.961 -3.861 5.343 1.00 0.28 C ATOM 705 C TYR A 45 -3.609 -5.203 5.055 1.00 0.30 C ATOM 706 O TYR A 45 -2.936 -6.231 5.038 1.00 0.37 O ATOM 707 CB TYR A 45 -1.439 -4.036 5.348 1.00 0.34 C ATOM 708 CG TYR A 45 -0.726 -3.349 4.202 1.00 0.42 C ATOM 709 CD1 TYR A 45 -1.319 -2.295 3.523 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.549 -3.744 3.813 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.670 -1.658 2.486 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.208 -3.105 2.778 1.00 0.68 C ATOM 713 CZ TYR A 45 0.594 -2.062 2.117 1.00 0.68 C ATOM 714 OH TYR A 45 1.248 -1.413 1.090 1.00 0.85 O ATOM 0 H TYR A 45 -2.712 -3.298 7.341 1.00 0.29 H new ATOM 0 HA TYR A 45 -3.249 -3.158 4.562 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -1.044 -3.651 6.288 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -1.208 -5.101 5.317 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -2.307 -1.967 3.811 1.00 0.47 H new ATOM 0 HD2 TYR A 45 1.032 -4.562 4.327 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -1.152 -0.844 1.964 1.00 0.61 H new ATOM 0 HE2 TYR A 45 2.199 -3.422 2.489 1.00 0.68 H new ATOM 0 HH TYR A 45 1.765 -0.664 1.453 1.00 0.85 H new ATOM 724 N HIS A 46 -4.920 -5.171 4.832 1.00 0.28 N ATOM 725 CA HIS A 46 -5.684 -6.323 4.340 1.00 0.31 C ATOM 726 C HIS A 46 -5.944 -7.313 5.473 1.00 0.37 C ATOM 727 O HIS A 46 -5.094 -7.519 6.335 1.00 0.57 O ATOM 728 CB HIS A 46 -4.969 -7.009 3.155 1.00 0.37 C ATOM 729 CG HIS A 46 -4.259 -6.041 2.252 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.912 -6.127 1.974 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.688 -4.906 1.659 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.546 -5.080 1.259 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.605 -4.324 1.051 1.00 0.43 N ATOM 0 H HIS A 46 -5.490 -4.340 4.988 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.644 -5.960 3.974 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -4.249 -7.730 3.542 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.700 -7.570 2.573 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.699 -4.526 1.663 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.546 -4.877 0.904 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.617 -3.450 0.525 1.00 0.43 H new ATOM 742 N ALA A 47 -7.128 -7.908 5.497 1.00 0.39 N ATOM 743 CA ALA A 47 -7.462 -8.860 6.552 1.00 0.44 C ATOM 744 C ALA A 47 -6.927 -10.252 6.250 1.00 0.44 C ATOM 745 O ALA A 47 -6.119 -10.795 7.004 1.00 0.48 O ATOM 746 CB ALA A 47 -8.967 -8.918 6.755 1.00 0.57 C ATOM 0 H ALA A 47 -7.866 -7.753 4.810 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.985 -8.510 7.468 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -9.200 -9.632 7.545 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -9.334 -7.931 7.038 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -9.447 -9.232 5.828 1.00 0.57 H new ATOM 752 N LEU A 48 -7.393 -10.835 5.161 1.00 0.48 N ATOM 753 CA LEU A 48 -6.939 -12.153 4.745 1.00 0.53 C ATOM 754 C LEU A 48 -5.846 -12.059 3.692 1.00 0.48 C ATOM 755 O LEU A 48 -5.120 -13.020 3.454 1.00 0.52 O ATOM 756 CB LEU A 48 -8.102 -12.996 4.204 1.00 0.67 C ATOM 757 CG LEU A 48 -8.803 -12.450 2.954 1.00 0.76 C ATOM 758 CD1 LEU A 48 -9.541 -13.573 2.242 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.783 -11.339 3.314 1.00 0.99 C ATOM 0 H LEU A 48 -8.089 -10.416 4.545 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.530 -12.641 5.630 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.727 -13.995 3.979 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.845 -13.105 4.995 1.00 0.67 H new ATOM 0 HG LEU A 48 -8.042 -12.035 2.293 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.037 -13.178 1.355 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -8.831 -14.345 1.947 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -10.285 -14.002 2.913 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -10.265 -10.971 2.408 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.540 -11.728 3.995 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -9.246 -10.522 3.796 1.00 0.99 H new ATOM 771 N ASP A 49 -5.723 -10.895 3.073 1.00 0.45 N ATOM 772 CA ASP A 49 -4.834 -10.734 1.930 1.00 0.45 C ATOM 773 C ASP A 49 -3.511 -10.149 2.397 1.00 0.41 C ATOM 774 O ASP A 49 -2.613 -9.874 1.600 1.00 0.49 O ATOM 775 CB ASP A 49 -5.454 -9.800 0.886 1.00 0.55 C ATOM 776 CG ASP A 49 -6.969 -9.823 0.880 1.00 0.91 C ATOM 777 OD1 ASP A 49 -7.596 -9.079 1.663 1.00 1.64 O ATOM 778 OD2 ASP A 49 -7.534 -10.611 0.090 1.00 1.07 O ATOM 0 H ASP A 49 -6.226 -10.049 3.341 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.674 -11.712 1.476 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -5.115 -8.781 1.074 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -5.090 -10.080 -0.103 1.00 0.55 H new ATOM 783 N SER A 50 -3.408 -9.941 3.700 1.00 0.36 N ATOM 784 CA SER A 50 -2.222 -9.391 4.313 1.00 0.35 C ATOM 785 C SER A 50 -1.011 -10.304 4.157 1.00 0.35 C ATOM 786 O SER A 50 0.090 -9.829 3.879 1.00 0.41 O ATOM 787 CB SER A 50 -2.522 -9.156 5.780 1.00 0.37 C ATOM 788 OG SER A 50 -3.692 -9.856 6.167 1.00 1.25 O ATOM 0 H SER A 50 -4.154 -10.153 4.362 1.00 0.36 H new ATOM 0 HA SER A 50 -1.967 -8.456 3.813 1.00 0.35 H new ATOM 0 HB2 SER A 50 -1.678 -9.484 6.387 1.00 0.37 H new ATOM 0 HB3 SER A 50 -2.652 -8.090 5.964 1.00 0.37 H new ATOM 0 HG SER A 50 -4.422 -9.218 6.310 1.00 1.25 H new ATOM 794 N GLU A 51 -1.217 -11.608 4.328 1.00 0.38 N ATOM 795 CA GLU A 51 -0.131 -12.574 4.208 1.00 0.45 C ATOM 796 C GLU A 51 0.486 -12.501 2.824 1.00 0.43 C ATOM 797 O GLU A 51 1.707 -12.507 2.674 1.00 0.47 O ATOM 798 CB GLU A 51 -0.638 -13.992 4.499 1.00 0.55 C ATOM 799 CG GLU A 51 0.459 -15.048 4.565 1.00 1.32 C ATOM 800 CD GLU A 51 0.616 -15.851 3.285 1.00 1.99 C ATOM 801 OE1 GLU A 51 0.222 -15.368 2.209 1.00 2.49 O ATOM 802 OE2 GLU A 51 1.148 -16.980 3.357 1.00 2.68 O ATOM 0 H GLU A 51 -2.124 -12.018 4.550 1.00 0.38 H new ATOM 0 HA GLU A 51 0.636 -12.328 4.943 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -1.177 -13.985 5.446 1.00 0.55 H new ATOM 0 HB3 GLU A 51 -1.353 -14.275 3.727 1.00 0.55 H new ATOM 0 HG2 GLU A 51 1.406 -14.560 4.795 1.00 1.32 H new ATOM 0 HG3 GLU A 51 0.244 -15.731 5.387 1.00 1.32 H new ATOM 809 N ASN A 52 -0.367 -12.392 1.815 1.00 0.43 N ATOM 810 CA ASN A 52 0.094 -12.308 0.440 1.00 0.48 C ATOM 811 C ASN A 52 0.915 -11.041 0.253 1.00 0.41 C ATOM 812 O ASN A 52 1.891 -11.022 -0.499 1.00 0.44 O ATOM 813 CB ASN A 52 -1.078 -12.315 -0.543 1.00 0.56 C ATOM 814 CG ASN A 52 -2.052 -13.465 -0.333 1.00 1.11 C ATOM 815 OD1 ASN A 52 -3.230 -13.351 -0.664 1.00 1.96 O ATOM 816 ND2 ASN A 52 -1.588 -14.567 0.240 1.00 1.31 N ATOM 0 H ASN A 52 -1.381 -12.360 1.924 1.00 0.43 H new ATOM 0 HA ASN A 52 0.711 -13.183 0.235 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -1.619 -11.373 -0.455 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -0.687 -12.364 -1.559 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -2.215 -15.352 0.418 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -0.604 -14.630 0.503 1.00 1.31 H new ATOM 823 N MET A 53 0.535 -9.988 0.966 1.00 0.35 N ATOM 824 CA MET A 53 1.270 -8.735 0.920 1.00 0.35 C ATOM 825 C MET A 53 2.591 -8.877 1.671 1.00 0.34 C ATOM 826 O MET A 53 3.593 -8.258 1.316 1.00 0.35 O ATOM 827 CB MET A 53 0.443 -7.606 1.535 1.00 0.42 C ATOM 828 CG MET A 53 0.937 -6.225 1.143 1.00 0.96 C ATOM 829 SD MET A 53 0.635 -5.865 -0.596 1.00 1.28 S ATOM 830 CE MET A 53 1.490 -4.304 -0.777 1.00 0.79 C ATOM 0 H MET A 53 -0.278 -9.979 1.582 1.00 0.35 H new ATOM 0 HA MET A 53 1.474 -8.491 -0.123 1.00 0.35 H new ATOM 0 HB2 MET A 53 -0.597 -7.715 1.226 1.00 0.42 H new ATOM 0 HB3 MET A 53 0.464 -7.698 2.621 1.00 0.42 H new ATOM 0 HG2 MET A 53 0.441 -5.475 1.759 1.00 0.96 H new ATOM 0 HG3 MET A 53 2.005 -6.151 1.348 1.00 0.96 H new ATOM 0 HE1 MET A 53 0.803 -3.557 -1.174 1.00 0.79 H new ATOM 0 HE2 MET A 53 1.860 -3.977 0.195 1.00 0.79 H new ATOM 0 HE3 MET A 53 2.329 -4.426 -1.462 1.00 0.79 H new ATOM 840 N THR A 54 2.587 -9.712 2.704 1.00 0.37 N ATOM 841 CA THR A 54 3.796 -10.005 3.455 1.00 0.45 C ATOM 842 C THR A 54 4.789 -10.739 2.560 1.00 0.45 C ATOM 843 O THR A 54 5.987 -10.451 2.572 1.00 0.48 O ATOM 844 CB THR A 54 3.492 -10.861 4.701 1.00 0.55 C ATOM 845 OG1 THR A 54 2.433 -10.262 5.460 1.00 0.57 O ATOM 846 CG2 THR A 54 4.727 -11.003 5.580 1.00 0.72 C ATOM 0 H THR A 54 1.755 -10.198 3.039 1.00 0.37 H new ATOM 0 HA THR A 54 4.224 -9.060 3.790 1.00 0.45 H new ATOM 0 HB THR A 54 3.188 -11.852 4.365 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.606 -10.275 4.934 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.485 -11.611 6.452 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.524 -11.483 5.013 1.00 0.72 H new ATOM 0 HG23 THR A 54 5.057 -10.017 5.906 1.00 0.72 H new ATOM 854 N LYS A 55 4.279 -11.673 1.759 1.00 0.46 N ATOM 855 CA LYS A 55 5.112 -12.374 0.786 1.00 0.52 C ATOM 856 C LYS A 55 5.562 -11.413 -0.306 1.00 0.41 C ATOM 857 O LYS A 55 6.623 -11.584 -0.902 1.00 0.42 O ATOM 858 CB LYS A 55 4.377 -13.571 0.173 1.00 0.67 C ATOM 859 CG LYS A 55 4.474 -14.841 1.007 1.00 0.95 C ATOM 860 CD LYS A 55 3.824 -14.666 2.367 1.00 1.14 C ATOM 861 CE LYS A 55 4.262 -15.742 3.350 1.00 1.37 C ATOM 862 NZ LYS A 55 3.769 -17.090 2.968 1.00 1.49 N ATOM 0 H LYS A 55 3.300 -11.960 1.765 1.00 0.46 H new ATOM 0 HA LYS A 55 5.988 -12.757 1.309 1.00 0.52 H new ATOM 0 HB2 LYS A 55 3.326 -13.312 0.042 1.00 0.67 H new ATOM 0 HB3 LYS A 55 4.784 -13.766 -0.819 1.00 0.67 H new ATOM 0 HG2 LYS A 55 3.994 -15.663 0.476 1.00 0.95 H new ATOM 0 HG3 LYS A 55 5.522 -15.113 1.136 1.00 0.95 H new ATOM 0 HD2 LYS A 55 4.078 -13.684 2.767 1.00 1.14 H new ATOM 0 HD3 LYS A 55 2.740 -14.695 2.257 1.00 1.14 H new ATOM 0 HE2 LYS A 55 5.350 -15.758 3.406 1.00 1.37 H new ATOM 0 HE3 LYS A 55 3.895 -15.492 4.346 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 4.264 -17.813 3.528 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 2.747 -17.151 3.151 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 3.950 -17.252 1.957 1.00 1.49 H new ATOM 876 N SER A 56 4.755 -10.390 -0.549 1.00 0.36 N ATOM 877 CA SER A 56 5.112 -9.350 -1.498 1.00 0.34 C ATOM 878 C SER A 56 6.295 -8.533 -0.974 1.00 0.28 C ATOM 879 O SER A 56 7.173 -8.142 -1.741 1.00 0.28 O ATOM 880 CB SER A 56 3.909 -8.444 -1.776 1.00 0.39 C ATOM 881 OG SER A 56 2.835 -9.174 -2.353 1.00 1.26 O ATOM 0 H SER A 56 3.848 -10.260 -0.101 1.00 0.36 H new ATOM 0 HA SER A 56 5.409 -9.821 -2.435 1.00 0.34 H new ATOM 0 HB2 SER A 56 3.578 -7.980 -0.847 1.00 0.39 H new ATOM 0 HB3 SER A 56 4.206 -7.638 -2.447 1.00 0.39 H new ATOM 0 HG SER A 56 2.499 -9.828 -1.705 1.00 1.26 H new ATOM 887 N HIS A 57 6.326 -8.300 0.338 1.00 0.29 N ATOM 888 CA HIS A 57 7.445 -7.600 0.978 1.00 0.30 C ATOM 889 C HIS A 57 8.733 -8.410 0.813 1.00 0.31 C ATOM 890 O HIS A 57 9.811 -7.852 0.612 1.00 0.34 O ATOM 891 CB HIS A 57 7.134 -7.360 2.468 1.00 0.35 C ATOM 892 CG HIS A 57 8.181 -6.586 3.228 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.396 -6.749 4.579 1.00 0.53 N ATOM 894 CD2 HIS A 57 9.057 -5.631 2.830 1.00 0.34 C ATOM 895 CE1 HIS A 57 9.354 -5.932 4.976 1.00 0.51 C ATOM 896 NE2 HIS A 57 9.776 -5.243 3.934 1.00 0.39 N ATOM 0 H HIS A 57 5.588 -8.586 0.982 1.00 0.29 H new ATOM 0 HA HIS A 57 7.585 -6.632 0.497 1.00 0.30 H new ATOM 0 HB2 HIS A 57 6.186 -6.827 2.543 1.00 0.35 H new ATOM 0 HB3 HIS A 57 6.996 -8.326 2.954 1.00 0.35 H new ATOM 0 HD2 HIS A 57 9.169 -5.245 1.827 1.00 0.34 H new ATOM 0 HE1 HIS A 57 9.729 -5.843 5.985 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.514 -4.539 3.946 1.00 0.39 H new ATOM 905 N GLN A 58 8.599 -9.728 0.869 1.00 0.32 N ATOM 906 CA GLN A 58 9.734 -10.635 0.720 1.00 0.37 C ATOM 907 C GLN A 58 10.134 -10.763 -0.749 1.00 0.33 C ATOM 908 O GLN A 58 11.300 -10.988 -1.073 1.00 0.37 O ATOM 909 CB GLN A 58 9.372 -12.008 1.288 1.00 0.46 C ATOM 910 CG GLN A 58 8.994 -11.965 2.759 1.00 1.24 C ATOM 911 CD GLN A 58 8.449 -13.283 3.270 1.00 1.77 C ATOM 912 OE1 GLN A 58 8.792 -14.355 2.767 1.00 2.36 O ATOM 913 NE2 GLN A 58 7.598 -13.209 4.281 1.00 2.26 N ATOM 0 H GLN A 58 7.707 -10.199 1.018 1.00 0.32 H new ATOM 0 HA GLN A 58 10.582 -10.228 1.271 1.00 0.37 H new ATOM 0 HB2 GLN A 58 8.541 -12.423 0.718 1.00 0.46 H new ATOM 0 HB3 GLN A 58 10.217 -12.683 1.156 1.00 0.46 H new ATOM 0 HG2 GLN A 58 9.870 -11.689 3.345 1.00 1.24 H new ATOM 0 HG3 GLN A 58 8.248 -11.185 2.914 1.00 1.24 H new ATOM 0 HE21 GLN A 58 7.342 -12.300 4.667 1.00 2.26 H new ATOM 0 HE22 GLN A 58 7.198 -14.061 4.675 1.00 2.26 H new ATOM 922 N ASN A 59 9.162 -10.574 -1.629 1.00 0.28 N ATOM 923 CA ASN A 59 9.380 -10.708 -3.063 1.00 0.28 C ATOM 924 C ASN A 59 10.012 -9.445 -3.618 1.00 0.29 C ATOM 925 O ASN A 59 11.042 -9.491 -4.288 1.00 0.34 O ATOM 926 CB ASN A 59 8.054 -10.990 -3.776 1.00 0.30 C ATOM 927 CG ASN A 59 8.194 -11.034 -5.285 1.00 0.38 C ATOM 928 OD1 ASN A 59 8.546 -12.068 -5.853 1.00 0.64 O ATOM 929 ND2 ASN A 59 7.895 -9.924 -5.947 1.00 0.83 N ATOM 0 H ASN A 59 8.207 -10.325 -1.373 1.00 0.28 H new ATOM 0 HA ASN A 59 10.057 -11.545 -3.236 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.654 -11.941 -3.425 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.331 -10.221 -3.505 1.00 0.30 H new ATOM 0 HD21 ASN A 59 7.953 -9.906 -6.965 1.00 0.83 H new ATOM 0 HD22 ASN A 59 7.607 -9.088 -5.438 1.00 0.83 H new ATOM 936 N LEU A 60 9.383 -8.318 -3.309 1.00 0.27 N ATOM 937 CA LEU A 60 9.842 -7.011 -3.750 1.00 0.28 C ATOM 938 C LEU A 60 11.306 -6.785 -3.385 1.00 0.34 C ATOM 939 O LEU A 60 12.061 -6.212 -4.160 1.00 0.43 O ATOM 940 CB LEU A 60 8.961 -5.931 -3.118 1.00 0.25 C ATOM 941 CG LEU A 60 9.384 -4.491 -3.383 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.381 -4.192 -4.869 1.00 0.29 C ATOM 943 CD2 LEU A 60 8.468 -3.533 -2.647 1.00 0.33 C ATOM 0 H LEU A 60 8.536 -8.287 -2.742 1.00 0.27 H new ATOM 0 HA LEU A 60 9.765 -6.960 -4.836 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.941 -6.063 -3.480 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.940 -6.091 -2.040 1.00 0.25 H new ATOM 0 HG LEU A 60 10.401 -4.358 -3.014 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.686 -3.159 -5.033 1.00 0.29 H new ATOM 0 HD12 LEU A 60 10.077 -4.861 -5.376 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.378 -4.342 -5.268 1.00 0.29 H new ATOM 0 HD21 LEU A 60 8.780 -2.507 -2.844 1.00 0.33 H new ATOM 0 HD22 LEU A 60 7.443 -3.673 -2.991 1.00 0.33 H new ATOM 0 HD23 LEU A 60 8.521 -3.729 -1.576 1.00 0.33 H new ATOM 955 N CYS A 61 11.692 -7.269 -2.216 1.00 0.36 N ATOM 956 CA CYS A 61 13.046 -7.067 -1.721 1.00 0.48 C ATOM 957 C CYS A 61 14.078 -7.685 -2.670 1.00 0.58 C ATOM 958 O CYS A 61 14.971 -6.994 -3.154 1.00 0.92 O ATOM 959 CB CYS A 61 13.198 -7.663 -0.319 1.00 0.54 C ATOM 960 SG CYS A 61 14.831 -7.415 0.418 1.00 1.20 S ATOM 0 H CYS A 61 11.088 -7.804 -1.592 1.00 0.36 H new ATOM 0 HA CYS A 61 13.227 -5.993 -1.671 1.00 0.48 H new ATOM 0 HB2 CYS A 61 12.446 -7.222 0.335 1.00 0.54 H new ATOM 0 HB3 CYS A 61 12.992 -8.732 -0.366 1.00 0.54 H new ATOM 0 HG CYS A 61 14.859 -7.952 1.602 1.00 1.20 H new ATOM 966 N THR A 62 13.957 -8.983 -2.924 1.00 0.54 N ATOM 967 CA THR A 62 14.904 -9.686 -3.785 1.00 0.76 C ATOM 968 C THR A 62 14.693 -9.406 -5.267 1.00 0.60 C ATOM 969 O THR A 62 15.613 -9.564 -6.072 1.00 0.82 O ATOM 970 CB THR A 62 14.843 -11.205 -3.513 1.00 1.11 C ATOM 971 OG1 THR A 62 14.930 -11.442 -2.099 1.00 1.27 O ATOM 972 CG2 THR A 62 15.974 -11.943 -4.215 1.00 1.45 C ATOM 0 H THR A 62 13.213 -9.571 -2.547 1.00 0.54 H new ATOM 0 HA THR A 62 15.894 -9.305 -3.537 1.00 0.76 H new ATOM 0 HB THR A 62 13.896 -11.580 -3.903 1.00 1.11 H new ATOM 0 HG1 THR A 62 14.890 -12.406 -1.926 1.00 1.27 H new ATOM 0 HG21 THR A 62 15.900 -13.009 -4.002 1.00 1.45 H new ATOM 0 HG22 THR A 62 15.901 -11.782 -5.291 1.00 1.45 H new ATOM 0 HG23 THR A 62 16.932 -11.567 -3.856 1.00 1.45 H new ATOM 980 N LYS A 63 13.512 -8.978 -5.636 1.00 0.50 N ATOM 981 CA LYS A 63 13.231 -8.762 -7.037 1.00 0.43 C ATOM 982 C LYS A 63 13.446 -7.314 -7.474 1.00 0.39 C ATOM 983 O LYS A 63 13.662 -7.052 -8.659 1.00 0.39 O ATOM 984 CB LYS A 63 11.817 -9.195 -7.349 1.00 0.45 C ATOM 985 CG LYS A 63 11.612 -10.700 -7.307 1.00 0.54 C ATOM 986 CD LYS A 63 12.529 -11.415 -8.289 1.00 0.68 C ATOM 987 CE LYS A 63 12.268 -12.912 -8.308 1.00 0.85 C ATOM 988 NZ LYS A 63 13.200 -13.628 -9.217 1.00 1.76 N ATOM 0 H LYS A 63 12.740 -8.775 -5.001 1.00 0.50 H new ATOM 0 HA LYS A 63 13.941 -9.367 -7.601 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.138 -8.725 -6.637 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.545 -8.828 -8.339 1.00 0.45 H new ATOM 0 HG2 LYS A 63 11.801 -11.066 -6.298 1.00 0.54 H new ATOM 0 HG3 LYS A 63 10.573 -10.934 -7.541 1.00 0.54 H new ATOM 0 HD2 LYS A 63 12.382 -11.007 -9.289 1.00 0.68 H new ATOM 0 HD3 LYS A 63 13.568 -11.229 -8.019 1.00 0.68 H new ATOM 0 HE2 LYS A 63 12.369 -13.310 -7.298 1.00 0.85 H new ATOM 0 HE3 LYS A 63 11.241 -13.097 -8.623 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 12.988 -14.646 -9.200 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 13.087 -13.267 -10.186 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 14.179 -13.473 -8.902 1.00 1.76 H new ATOM 1002 N GLY A 64 13.383 -6.380 -6.535 1.00 0.40 N ATOM 1003 CA GLY A 64 13.546 -4.974 -6.874 1.00 0.42 C ATOM 1004 C GLY A 64 12.258 -4.339 -7.369 1.00 0.37 C ATOM 1005 O GLY A 64 12.174 -3.118 -7.521 1.00 0.41 O ATOM 0 H GLY A 64 13.222 -6.567 -5.545 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.901 -4.432 -5.998 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.314 -4.876 -7.642 1.00 0.42 H new ATOM 1009 N GLN A 65 11.240 -5.164 -7.584 1.00 0.34 N ATOM 1010 CA GLN A 65 9.963 -4.711 -8.115 1.00 0.33 C ATOM 1011 C GLN A 65 8.917 -5.812 -7.931 1.00 0.34 C ATOM 1012 O GLN A 65 9.263 -6.985 -7.802 1.00 0.43 O ATOM 1013 CB GLN A 65 10.093 -4.320 -9.589 1.00 0.41 C ATOM 1014 CG GLN A 65 8.832 -3.691 -10.151 1.00 0.49 C ATOM 1015 CD GLN A 65 9.046 -2.996 -11.475 1.00 0.81 C ATOM 1016 OE1 GLN A 65 10.129 -2.495 -11.764 1.00 1.37 O ATOM 1017 NE2 GLN A 65 8.003 -2.955 -12.280 1.00 1.32 N ATOM 0 H GLN A 65 11.278 -6.166 -7.395 1.00 0.34 H new ATOM 0 HA GLN A 65 9.644 -3.824 -7.568 1.00 0.33 H new ATOM 0 HB2 GLN A 65 10.922 -3.621 -9.702 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.341 -5.206 -10.173 1.00 0.41 H new ATOM 0 HG2 GLN A 65 8.073 -4.464 -10.273 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.442 -2.972 -9.431 1.00 0.49 H new ATOM 0 HE21 GLN A 65 7.123 -3.386 -11.997 1.00 1.32 H new ATOM 0 HE22 GLN A 65 8.076 -2.493 -13.186 1.00 1.32 H new ATOM 1026 N VAL A 66 7.646 -5.427 -7.893 1.00 0.32 N ATOM 1027 CA VAL A 66 6.558 -6.372 -7.661 1.00 0.35 C ATOM 1028 C VAL A 66 5.256 -5.837 -8.262 1.00 0.33 C ATOM 1029 O VAL A 66 5.060 -4.626 -8.338 1.00 0.32 O ATOM 1030 CB VAL A 66 6.380 -6.635 -6.140 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.185 -5.338 -5.382 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.216 -7.563 -5.860 1.00 0.44 C ATOM 0 H VAL A 66 7.342 -4.462 -8.021 1.00 0.32 H new ATOM 0 HA VAL A 66 6.808 -7.315 -8.148 1.00 0.35 H new ATOM 0 HB VAL A 66 7.295 -7.118 -5.797 1.00 0.36 H new ATOM 0 HG11 VAL A 66 6.063 -5.552 -4.320 1.00 0.31 H new ATOM 0 HG12 VAL A 66 7.056 -4.698 -5.526 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.296 -4.829 -5.754 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.127 -7.721 -4.785 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.296 -7.118 -6.239 1.00 0.44 H new ATOM 0 HG23 VAL A 66 5.386 -8.520 -6.354 1.00 0.44 H new ATOM 1042 N VAL A 67 4.385 -6.730 -8.716 1.00 0.39 N ATOM 1043 CA VAL A 67 3.083 -6.334 -9.242 1.00 0.45 C ATOM 1044 C VAL A 67 1.981 -7.194 -8.627 1.00 0.49 C ATOM 1045 O VAL A 67 1.682 -8.289 -9.111 1.00 0.92 O ATOM 1046 CB VAL A 67 3.016 -6.443 -10.786 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.671 -5.958 -11.305 1.00 0.91 C ATOM 1048 CG2 VAL A 67 4.146 -5.663 -11.442 1.00 1.16 C ATOM 0 H VAL A 67 4.557 -7.735 -8.731 1.00 0.39 H new ATOM 0 HA VAL A 67 2.936 -5.288 -8.972 1.00 0.45 H new ATOM 0 HB VAL A 67 3.131 -7.495 -11.048 1.00 0.58 H new ATOM 0 HG11 VAL A 67 1.648 -6.044 -12.391 1.00 0.91 H new ATOM 0 HG12 VAL A 67 0.875 -6.566 -10.876 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.525 -4.916 -11.020 1.00 0.91 H new ATOM 0 HG21 VAL A 67 4.073 -5.758 -12.525 1.00 1.16 H new ATOM 0 HG22 VAL A 67 4.071 -4.612 -11.164 1.00 1.16 H new ATOM 0 HG23 VAL A 67 5.104 -6.060 -11.107 1.00 1.16 H new ATOM 1058 N SER A 68 1.411 -6.704 -7.537 1.00 0.52 N ATOM 1059 CA SER A 68 0.314 -7.380 -6.860 1.00 0.54 C ATOM 1060 C SER A 68 -1.002 -7.153 -7.602 1.00 0.53 C ATOM 1061 O SER A 68 -1.035 -6.481 -8.633 1.00 0.94 O ATOM 1062 CB SER A 68 0.215 -6.880 -5.417 1.00 0.58 C ATOM 1063 OG SER A 68 1.474 -6.971 -4.764 1.00 1.39 O ATOM 0 H SER A 68 1.695 -5.829 -7.097 1.00 0.52 H new ATOM 0 HA SER A 68 0.511 -8.452 -6.851 1.00 0.54 H new ATOM 0 HB2 SER A 68 -0.130 -5.846 -5.408 1.00 0.58 H new ATOM 0 HB3 SER A 68 -0.525 -7.468 -4.874 1.00 0.58 H new ATOM 0 HG SER A 68 1.389 -6.645 -3.844 1.00 1.39 H new ATOM 1069 N GLY A 69 -2.081 -7.712 -7.073 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.372 -7.540 -7.663 1.00 0.43 C ATOM 1071 C GLY A 69 -4.340 -7.063 -6.624 1.00 0.38 C ATOM 1072 O GLY A 69 -3.936 -6.771 -5.500 1.00 0.42 O ATOM 0 H GLY A 69 -2.073 -8.289 -6.232 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.317 -6.821 -8.480 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -3.716 -8.482 -8.090 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.598 -6.983 -6.982 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.602 -6.463 -6.088 1.00 0.43 C ATOM 1078 C GLN A 70 -6.764 -7.309 -4.825 1.00 0.35 C ATOM 1079 O GLN A 70 -7.027 -8.511 -4.876 1.00 0.36 O ATOM 1080 CB GLN A 70 -7.908 -6.282 -6.842 1.00 0.62 C ATOM 1081 CG GLN A 70 -8.423 -7.539 -7.531 1.00 0.78 C ATOM 1082 CD GLN A 70 -9.765 -7.350 -8.225 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -10.025 -7.954 -9.268 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -10.637 -6.537 -7.642 1.00 1.31 N ATOM 0 H GLN A 70 -5.952 -7.274 -7.893 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.272 -5.487 -5.731 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -8.668 -5.928 -6.146 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -7.774 -5.502 -7.591 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -7.687 -7.868 -8.265 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -8.515 -8.336 -6.793 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -10.386 -6.054 -6.779 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -11.558 -6.395 -8.057 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.556 -6.637 -3.704 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.688 -7.201 -2.365 1.00 0.36 C ATOM 1095 C TYR A 71 -7.731 -6.396 -1.599 1.00 0.32 C ATOM 1096 O TYR A 71 -8.202 -5.376 -2.102 1.00 0.29 O ATOM 1097 CB TYR A 71 -5.335 -7.108 -1.645 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.604 -5.817 -1.963 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -5.130 -4.584 -1.589 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.422 -5.828 -2.690 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.498 -3.404 -1.922 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.793 -4.649 -3.043 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.332 -3.439 -2.652 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.730 -2.266 -3.045 1.00 0.68 O ATOM 0 H TYR A 71 -6.282 -5.654 -3.698 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.996 -8.245 -2.423 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -5.492 -7.179 -0.569 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -4.713 -7.956 -1.933 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -6.051 -4.550 -1.027 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.987 -6.772 -2.984 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -4.916 -2.458 -1.612 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.882 -4.674 -3.623 1.00 0.62 H new ATOM 0 HH TYR A 71 -3.092 -1.521 -2.521 1.00 0.68 H new ATOM 1114 N ARG A 72 -8.083 -6.816 -0.390 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.995 -6.023 0.426 1.00 0.33 C ATOM 1116 C ARG A 72 -8.204 -5.087 1.326 1.00 0.27 C ATOM 1117 O ARG A 72 -7.553 -5.538 2.263 1.00 0.28 O ATOM 1118 CB ARG A 72 -9.892 -6.901 1.303 1.00 0.43 C ATOM 1119 CG ARG A 72 -10.924 -7.724 0.562 1.00 0.65 C ATOM 1120 CD ARG A 72 -10.368 -9.079 0.180 1.00 1.06 C ATOM 1121 NE ARG A 72 -11.425 -10.063 -0.032 1.00 1.10 N ATOM 1122 CZ ARG A 72 -11.198 -11.345 -0.313 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -9.953 -11.791 -0.442 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -12.215 -12.185 -0.450 1.00 1.52 N ATOM 0 H ARG A 72 -7.759 -7.682 0.041 1.00 0.36 H new ATOM 0 HA ARG A 72 -9.627 -5.456 -0.257 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -9.259 -7.577 1.878 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -10.409 -6.262 2.019 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -11.808 -7.853 1.187 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -11.242 -7.192 -0.335 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -9.773 -8.984 -0.729 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -9.698 -9.430 0.964 1.00 1.06 H new ATOM 0 HE ARG A 72 -12.393 -9.751 0.039 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -9.167 -11.151 -0.326 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -9.783 -12.773 -0.657 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -13.172 -11.849 -0.340 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -12.040 -13.167 -0.665 1.00 1.52 H new ATOM 1138 N MET A 73 -8.252 -3.790 1.062 1.00 0.26 N ATOM 1139 CA MET A 73 -7.572 -2.844 1.939 1.00 0.26 C ATOM 1140 C MET A 73 -8.546 -2.283 2.965 1.00 0.23 C ATOM 1141 O MET A 73 -9.663 -1.894 2.620 1.00 0.24 O ATOM 1142 CB MET A 73 -6.944 -1.694 1.167 1.00 0.30 C ATOM 1143 CG MET A 73 -6.099 -0.787 2.049 1.00 0.35 C ATOM 1144 SD MET A 73 -4.354 -1.231 2.036 1.00 0.77 S ATOM 1145 CE MET A 73 -3.675 0.179 2.907 1.00 0.60 C ATOM 0 H MET A 73 -8.741 -3.374 0.269 1.00 0.26 H new ATOM 0 HA MET A 73 -6.774 -3.392 2.440 1.00 0.26 H new ATOM 0 HB2 MET A 73 -6.324 -2.096 0.366 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.731 -1.105 0.696 1.00 0.30 H new ATOM 0 HG2 MET A 73 -6.209 0.244 1.713 1.00 0.35 H new ATOM 0 HG3 MET A 73 -6.473 -0.831 3.072 1.00 0.35 H new ATOM 0 HE1 MET A 73 -2.954 -0.164 3.649 1.00 0.60 H new ATOM 0 HE2 MET A 73 -3.178 0.840 2.197 1.00 0.60 H new ATOM 0 HE3 MET A 73 -4.479 0.720 3.405 1.00 0.60 H new ATOM 1155 N LEU A 74 -8.119 -2.255 4.220 1.00 0.22 N ATOM 1156 CA LEU A 74 -8.943 -1.753 5.309 1.00 0.25 C ATOM 1157 C LEU A 74 -9.144 -0.251 5.209 1.00 0.33 C ATOM 1158 O LEU A 74 -8.187 0.521 5.243 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.286 -2.083 6.641 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.172 -1.976 7.876 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -10.059 -3.196 7.978 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.328 -1.836 9.127 1.00 0.42 C ATOM 0 H LEU A 74 -7.196 -2.578 4.510 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.919 -2.234 5.240 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -7.895 -3.099 6.587 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.431 -1.420 6.775 1.00 0.24 H new ATOM 0 HG LEU A 74 -9.797 -1.088 7.783 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.690 -3.114 8.863 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.687 -3.265 7.090 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.440 -4.090 8.055 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -8.979 -1.761 9.998 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.683 -2.708 9.230 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -7.715 -0.938 9.054 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.391 0.144 5.074 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.755 1.542 5.115 1.00 0.26 C ATOM 1176 C ALA A 75 -10.969 1.982 6.547 1.00 0.31 C ATOM 1177 O ALA A 75 -11.136 1.158 7.443 1.00 0.60 O ATOM 1178 CB ALA A 75 -12.002 1.793 4.278 1.00 0.29 C ATOM 0 H ALA A 75 -11.177 -0.491 4.934 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.941 2.130 4.692 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.262 2.851 4.320 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.810 1.508 3.244 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.829 1.200 4.670 1.00 0.29 H new ATOM 1184 N LYS A 76 -10.956 3.289 6.727 1.00 0.28 N ATOM 1185 CA LYS A 76 -11.097 3.945 8.022 1.00 0.30 C ATOM 1186 C LYS A 76 -12.158 3.312 8.926 1.00 0.33 C ATOM 1187 O LYS A 76 -11.982 3.232 10.139 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.453 5.400 7.754 1.00 0.39 C ATOM 1189 CG LYS A 76 -11.382 6.278 8.974 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.468 7.747 8.593 1.00 0.47 C ATOM 1191 CE LYS A 76 -12.794 8.081 7.919 1.00 0.53 C ATOM 1192 NZ LYS A 76 -12.790 9.458 7.354 1.00 1.23 N ATOM 0 H LYS A 76 -10.844 3.947 5.956 1.00 0.28 H new ATOM 0 HA LYS A 76 -10.155 3.840 8.559 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.779 5.795 6.994 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.461 5.448 7.342 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -12.195 6.027 9.655 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -10.450 6.091 9.508 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.349 8.361 9.485 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -10.646 7.997 7.922 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -12.990 7.362 7.124 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.604 7.986 8.642 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -13.606 9.576 6.721 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -12.849 10.151 8.127 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -11.912 9.611 6.819 1.00 1.23 H new ATOM 1206 N HIS A 77 -13.235 2.847 8.326 1.00 0.44 N ATOM 1207 CA HIS A 77 -14.373 2.315 9.076 1.00 0.62 C ATOM 1208 C HIS A 77 -14.370 0.789 9.071 1.00 0.69 C ATOM 1209 O HIS A 77 -15.420 0.151 9.135 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.694 2.867 8.513 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.603 3.368 7.101 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -16.019 2.654 6.001 1.00 0.74 N ATOM 1213 CD2 HIS A 77 -15.124 4.537 6.621 1.00 0.67 C ATOM 1214 CE1 HIS A 77 -15.797 3.368 4.912 1.00 0.70 C ATOM 1215 NE2 HIS A 77 -15.258 4.514 5.262 1.00 0.69 N ATOM 0 H HIS A 77 -13.354 2.824 7.313 1.00 0.44 H new ATOM 0 HA HIS A 77 -14.280 2.641 10.112 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.451 2.084 8.560 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -16.036 3.680 9.153 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -14.710 5.344 7.207 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -16.021 3.061 3.901 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -14.985 5.262 4.625 1.00 0.69 H new ATOM 1224 N GLY A 78 -13.175 0.215 9.007 1.00 0.58 N ATOM 1225 CA GLY A 78 -13.036 -1.231 8.955 1.00 0.72 C ATOM 1226 C GLY A 78 -13.506 -1.780 7.630 1.00 0.76 C ATOM 1227 O GLY A 78 -13.804 -2.968 7.498 1.00 1.31 O ATOM 0 H GLY A 78 -12.293 0.728 8.990 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -11.993 -1.504 9.115 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.611 -1.683 9.763 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.575 -0.897 6.650 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.088 -1.258 5.350 1.00 0.37 C ATOM 1233 C GLY A 79 -13.063 -2.004 4.537 1.00 0.28 C ATOM 1234 O GLY A 79 -11.925 -2.157 4.967 1.00 0.29 O ATOM 0 H GLY A 79 -13.280 0.076 6.735 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -14.979 -1.875 5.468 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.392 -0.358 4.816 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.448 -2.464 3.362 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.524 -3.182 2.503 1.00 0.21 C ATOM 1240 C TYR A 80 -12.711 -2.772 1.063 1.00 0.22 C ATOM 1241 O TYR A 80 -13.746 -3.023 0.466 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.700 -4.695 2.652 1.00 0.26 C ATOM 1243 CG TYR A 80 -12.208 -5.210 3.977 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.855 -5.222 4.287 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -13.102 -5.702 4.912 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.410 -5.713 5.497 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.669 -6.197 6.119 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.282 -6.118 6.429 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.878 -6.700 7.615 1.00 0.38 O ATOM 0 H TYR A 80 -14.388 -2.355 2.981 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.510 -2.925 2.810 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.754 -4.947 2.538 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -12.163 -5.200 1.849 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -10.141 -4.842 3.571 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -14.159 -5.697 4.689 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.350 -5.771 5.694 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.366 -6.636 6.817 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.665 -6.921 8.155 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.708 -2.128 0.517 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.735 -1.729 -0.871 1.00 0.28 C ATOM 1261 C VAL A 81 -10.711 -2.534 -1.649 1.00 0.26 C ATOM 1262 O VAL A 81 -9.659 -2.876 -1.119 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.489 -0.211 -1.035 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.782 0.559 -0.816 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.431 0.278 -0.056 1.00 0.30 C ATOM 0 H VAL A 81 -10.857 -1.867 1.016 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.729 -1.933 -1.270 1.00 0.28 H new ATOM 0 HB VAL A 81 -11.132 -0.036 -2.050 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.594 1.626 -0.934 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.525 0.238 -1.546 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -13.155 0.366 0.190 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -10.277 1.348 -0.192 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.763 0.086 0.964 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.495 -0.250 -0.238 1.00 0.30 H new ATOM 1275 N TRP A 82 -11.031 -2.871 -2.883 1.00 0.28 N ATOM 1276 CA TRP A 82 -10.146 -3.700 -3.687 1.00 0.29 C ATOM 1277 C TRP A 82 -9.142 -2.852 -4.439 1.00 0.28 C ATOM 1278 O TRP A 82 -9.512 -2.058 -5.298 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.938 -4.556 -4.665 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.672 -5.676 -4.005 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.891 -5.617 -3.397 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -11.226 -7.030 -3.883 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -13.233 -6.854 -2.913 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -12.225 -7.735 -3.195 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -10.080 -7.713 -4.287 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -12.112 -9.088 -2.907 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.969 -9.056 -3.999 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.980 -9.731 -3.313 1.00 0.52 C ATOM 0 H TRP A 82 -11.891 -2.587 -3.351 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.606 -4.358 -3.006 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.651 -3.925 -5.195 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -10.258 -4.966 -5.412 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.498 -4.728 -3.309 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -14.098 -7.080 -2.423 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -9.292 -7.198 -4.817 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.894 -9.614 -2.379 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -9.086 -9.595 -4.309 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.863 -10.783 -3.100 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.877 -3.027 -4.107 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.817 -2.243 -4.718 1.00 0.28 C ATOM 1301 C LEU A 83 -5.681 -3.132 -5.191 1.00 0.29 C ATOM 1302 O LEU A 83 -5.513 -4.240 -4.698 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.253 -1.227 -3.719 1.00 0.28 C ATOM 1304 CG LEU A 83 -7.196 -0.140 -3.210 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.876 -0.589 -1.940 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.426 1.149 -2.967 1.00 0.40 C ATOM 0 H LEU A 83 -7.557 -3.706 -3.417 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.251 -1.724 -5.572 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.877 -1.777 -2.856 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.396 -0.739 -4.184 1.00 0.28 H new ATOM 0 HG LEU A 83 -7.959 0.044 -3.967 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.545 0.196 -1.589 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.450 -1.495 -2.135 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -7.124 -0.793 -1.177 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -7.108 1.918 -2.604 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.648 0.974 -2.223 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -5.968 1.481 -3.899 1.00 0.40 H new ATOM 1318 N GLU A 84 -4.912 -2.634 -6.147 1.00 0.32 N ATOM 1319 CA GLU A 84 -3.691 -3.299 -6.583 1.00 0.34 C ATOM 1320 C GLU A 84 -2.470 -2.502 -6.141 1.00 0.35 C ATOM 1321 O GLU A 84 -2.519 -1.276 -6.087 1.00 0.39 O ATOM 1322 CB GLU A 84 -3.662 -3.450 -8.105 1.00 0.41 C ATOM 1323 CG GLU A 84 -4.698 -4.415 -8.651 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.561 -4.627 -10.144 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -3.732 -5.464 -10.558 1.00 1.23 O ATOM 1326 OE2 GLU A 84 -5.278 -3.959 -10.914 1.00 0.88 O ATOM 0 H GLU A 84 -5.113 -1.764 -6.640 1.00 0.32 H new ATOM 0 HA GLU A 84 -3.671 -4.289 -6.127 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -3.817 -2.472 -8.560 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -2.671 -3.788 -8.407 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -4.602 -5.373 -8.141 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -5.696 -4.035 -8.431 1.00 0.59 H new ATOM 1333 N THR A 85 -1.383 -3.197 -5.828 1.00 0.36 N ATOM 1334 CA THR A 85 -0.119 -2.544 -5.516 1.00 0.37 C ATOM 1335 C THR A 85 0.917 -2.896 -6.563 1.00 0.32 C ATOM 1336 O THR A 85 1.256 -4.065 -6.745 1.00 0.43 O ATOM 1337 CB THR A 85 0.451 -2.945 -4.124 1.00 0.52 C ATOM 1338 OG1 THR A 85 -0.249 -2.276 -3.077 1.00 0.68 O ATOM 1339 CG2 THR A 85 1.936 -2.613 -4.009 1.00 0.60 C ATOM 0 H THR A 85 -1.352 -4.216 -5.784 1.00 0.36 H new ATOM 0 HA THR A 85 -0.327 -1.474 -5.503 1.00 0.37 H new ATOM 0 HB THR A 85 0.318 -4.023 -4.027 1.00 0.52 H new ATOM 0 HG1 THR A 85 -1.187 -2.159 -3.334 1.00 0.68 H new ATOM 0 HG21 THR A 85 2.299 -2.907 -3.024 1.00 0.60 H new ATOM 0 HG22 THR A 85 2.490 -3.154 -4.776 1.00 0.60 H new ATOM 0 HG23 THR A 85 2.081 -1.541 -4.144 1.00 0.60 H new ATOM 1347 N GLN A 86 1.406 -1.901 -7.266 1.00 0.29 N ATOM 1348 CA GLN A 86 2.600 -2.109 -8.059 1.00 0.35 C ATOM 1349 C GLN A 86 3.779 -1.550 -7.274 1.00 0.28 C ATOM 1350 O GLN A 86 3.809 -0.368 -6.920 1.00 0.30 O ATOM 1351 CB GLN A 86 2.500 -1.510 -9.473 1.00 0.50 C ATOM 1352 CG GLN A 86 2.754 -0.018 -9.563 1.00 0.70 C ATOM 1353 CD GLN A 86 2.942 0.453 -10.992 1.00 1.06 C ATOM 1354 OE1 GLN A 86 2.350 -0.093 -11.925 1.00 1.95 O ATOM 1355 NE2 GLN A 86 3.785 1.457 -11.176 1.00 1.15 N ATOM 0 H GLN A 86 1.010 -0.962 -7.308 1.00 0.29 H new ATOM 0 HA GLN A 86 2.737 -3.177 -8.230 1.00 0.35 H new ATOM 0 HB2 GLN A 86 3.213 -2.023 -10.119 1.00 0.50 H new ATOM 0 HB3 GLN A 86 1.506 -1.717 -9.868 1.00 0.50 H new ATOM 0 HG2 GLN A 86 1.917 0.518 -9.114 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.641 0.232 -8.982 1.00 0.70 H new ATOM 0 HE21 GLN A 86 4.255 1.882 -10.376 1.00 1.15 H new ATOM 0 HE22 GLN A 86 3.965 1.806 -12.117 1.00 1.15 H new ATOM 1364 N GLY A 87 4.712 -2.421 -6.944 1.00 0.27 N ATOM 1365 CA GLY A 87 5.763 -2.062 -6.026 1.00 0.26 C ATOM 1366 C GLY A 87 7.115 -1.929 -6.681 1.00 0.24 C ATOM 1367 O GLY A 87 7.378 -2.503 -7.736 1.00 0.27 O ATOM 0 H GLY A 87 4.760 -3.376 -7.298 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.507 -1.118 -5.544 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.821 -2.815 -5.240 1.00 0.26 H new ATOM 1371 N THR A 88 7.963 -1.166 -6.031 1.00 0.23 N ATOM 1372 CA THR A 88 9.334 -0.952 -6.486 1.00 0.22 C ATOM 1373 C THR A 88 10.243 -0.626 -5.303 1.00 0.25 C ATOM 1374 O THR A 88 9.867 0.151 -4.423 1.00 0.36 O ATOM 1375 CB THR A 88 9.430 0.184 -7.534 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.501 -0.051 -8.604 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.837 0.277 -8.109 1.00 0.24 C ATOM 0 H THR A 88 7.730 -0.672 -5.170 1.00 0.23 H new ATOM 0 HA THR A 88 9.660 -1.878 -6.960 1.00 0.22 H new ATOM 0 HB THR A 88 9.189 1.122 -7.034 1.00 0.23 H new ATOM 0 HG1 THR A 88 7.740 0.561 -8.517 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.878 1.082 -8.842 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.545 0.481 -7.306 1.00 0.24 H new ATOM 0 HG23 THR A 88 11.096 -0.666 -8.591 1.00 0.24 H new ATOM 1385 N VAL A 89 11.422 -1.243 -5.271 1.00 0.28 N ATOM 1386 CA VAL A 89 12.420 -0.919 -4.260 1.00 0.31 C ATOM 1387 C VAL A 89 13.345 0.174 -4.777 1.00 0.30 C ATOM 1388 O VAL A 89 14.185 -0.060 -5.645 1.00 0.34 O ATOM 1389 CB VAL A 89 13.262 -2.147 -3.852 1.00 0.42 C ATOM 1390 CG1 VAL A 89 14.309 -1.769 -2.817 1.00 0.36 C ATOM 1391 CG2 VAL A 89 12.379 -3.250 -3.309 1.00 0.56 C ATOM 0 H VAL A 89 11.707 -1.967 -5.931 1.00 0.28 H new ATOM 0 HA VAL A 89 11.882 -0.575 -3.377 1.00 0.31 H new ATOM 0 HB VAL A 89 13.769 -2.511 -4.746 1.00 0.42 H new ATOM 0 HG11 VAL A 89 14.889 -2.652 -2.547 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.974 -1.011 -3.232 1.00 0.36 H new ATOM 0 HG13 VAL A 89 13.816 -1.372 -1.929 1.00 0.36 H new ATOM 0 HG21 VAL A 89 12.995 -4.104 -3.028 1.00 0.56 H new ATOM 0 HG22 VAL A 89 11.841 -2.887 -2.433 1.00 0.56 H new ATOM 0 HG23 VAL A 89 11.664 -3.554 -4.074 1.00 0.56 H new ATOM 1401 N ILE A 90 13.161 1.370 -4.257 1.00 0.27 N ATOM 1402 CA ILE A 90 13.968 2.507 -4.638 1.00 0.30 C ATOM 1403 C ILE A 90 15.029 2.692 -3.604 1.00 0.34 C ATOM 1404 O ILE A 90 14.775 3.230 -2.533 1.00 0.41 O ATOM 1405 CB ILE A 90 13.103 3.763 -4.759 1.00 0.32 C ATOM 1406 CG1 ILE A 90 11.864 3.380 -5.544 1.00 0.71 C ATOM 1407 CG2 ILE A 90 13.872 4.893 -5.435 1.00 0.73 C ATOM 1408 CD1 ILE A 90 11.038 4.550 -6.036 1.00 0.78 C ATOM 0 H ILE A 90 12.448 1.580 -3.559 1.00 0.27 H new ATOM 0 HA ILE A 90 14.426 2.331 -5.611 1.00 0.30 H new ATOM 0 HB ILE A 90 12.821 4.134 -3.774 1.00 0.32 H new ATOM 0 HG12 ILE A 90 12.166 2.780 -6.402 1.00 0.71 H new ATOM 0 HG13 ILE A 90 11.235 2.747 -4.918 1.00 0.71 H new ATOM 0 HG21 ILE A 90 13.234 5.774 -5.509 1.00 0.73 H new ATOM 0 HG22 ILE A 90 14.757 5.134 -4.846 1.00 0.73 H new ATOM 0 HG23 ILE A 90 14.175 4.580 -6.434 1.00 0.73 H new ATOM 0 HD11 ILE A 90 10.173 4.179 -6.586 1.00 0.78 H new ATOM 0 HD12 ILE A 90 10.700 5.141 -5.184 1.00 0.78 H new ATOM 0 HD13 ILE A 90 11.645 5.174 -6.692 1.00 0.78 H new ATOM 1420 N TYR A 91 16.205 2.188 -3.894 1.00 0.36 N ATOM 1421 CA TYR A 91 17.164 2.000 -2.849 1.00 0.42 C ATOM 1422 C TYR A 91 18.554 2.473 -3.189 1.00 0.48 C ATOM 1423 O TYR A 91 18.976 2.489 -4.347 1.00 0.58 O ATOM 1424 CB TYR A 91 17.135 0.544 -2.381 1.00 0.51 C ATOM 1425 CG TYR A 91 17.563 -0.539 -3.359 1.00 0.43 C ATOM 1426 CD1 TYR A 91 17.109 -0.592 -4.674 1.00 0.45 C ATOM 1427 CD2 TYR A 91 18.410 -1.545 -2.925 1.00 0.55 C ATOM 1428 CE1 TYR A 91 17.498 -1.615 -5.522 1.00 0.61 C ATOM 1429 CE2 TYR A 91 18.801 -2.568 -3.760 1.00 0.76 C ATOM 1430 CZ TYR A 91 18.344 -2.599 -5.061 1.00 0.79 C ATOM 1431 OH TYR A 91 18.732 -3.619 -5.902 1.00 1.06 O ATOM 0 H TYR A 91 16.510 1.908 -4.826 1.00 0.36 H new ATOM 0 HA TYR A 91 16.867 2.645 -2.022 1.00 0.42 H new ATOM 0 HB2 TYR A 91 17.772 0.466 -1.500 1.00 0.51 H new ATOM 0 HB3 TYR A 91 16.118 0.319 -2.060 1.00 0.51 H new ATOM 0 HD1 TYR A 91 16.443 0.177 -5.038 1.00 0.45 H new ATOM 0 HD2 TYR A 91 18.772 -1.527 -1.908 1.00 0.55 H new ATOM 0 HE1 TYR A 91 17.140 -1.641 -6.540 1.00 0.61 H new ATOM 0 HE2 TYR A 91 19.462 -3.342 -3.398 1.00 0.76 H new ATOM 0 HH TYR A 91 19.330 -4.229 -5.422 1.00 1.06 H new ATOM 1441 N ASN A 92 19.236 2.870 -2.130 1.00 0.57 N ATOM 1442 CA ASN A 92 20.560 3.444 -2.188 1.00 0.71 C ATOM 1443 C ASN A 92 21.536 2.566 -2.944 1.00 0.69 C ATOM 1444 O ASN A 92 21.593 1.367 -2.733 1.00 0.63 O ATOM 1445 CB ASN A 92 21.060 3.637 -0.767 1.00 0.83 C ATOM 1446 CG ASN A 92 20.892 5.047 -0.241 1.00 1.09 C ATOM 1447 OD1 ASN A 92 20.743 5.246 0.963 1.00 1.77 O ATOM 1448 ND2 ASN A 92 20.906 6.030 -1.127 1.00 1.50 N ATOM 0 H ASN A 92 18.870 2.798 -1.181 1.00 0.57 H new ATOM 0 HA ASN A 92 20.497 4.393 -2.720 1.00 0.71 H new ATOM 0 HB2 ASN A 92 20.529 2.949 -0.109 1.00 0.83 H new ATOM 0 HB3 ASN A 92 22.115 3.368 -0.724 1.00 0.83 H new ATOM 0 HD21 ASN A 92 20.790 6.996 -0.819 1.00 1.50 H new ATOM 0 HD22 ASN A 92 21.032 5.822 -2.118 1.00 1.50 H new ATOM 1455 N PRO A 93 22.309 3.166 -3.835 1.00 0.84 N ATOM 1456 CA PRO A 93 23.377 2.475 -4.554 1.00 0.91 C ATOM 1457 C PRO A 93 24.474 1.962 -3.623 1.00 0.96 C ATOM 1458 O PRO A 93 24.933 0.826 -3.752 1.00 1.00 O ATOM 1459 CB PRO A 93 23.953 3.540 -5.488 1.00 1.13 C ATOM 1460 CG PRO A 93 22.969 4.662 -5.502 1.00 1.23 C ATOM 1461 CD PRO A 93 22.173 4.567 -4.233 1.00 1.00 C ATOM 0 HA PRO A 93 22.993 1.596 -5.072 1.00 0.91 H new ATOM 0 HB2 PRO A 93 24.926 3.881 -5.135 1.00 1.13 H new ATOM 0 HB3 PRO A 93 24.100 3.139 -6.491 1.00 1.13 H new ATOM 0 HG2 PRO A 93 23.481 5.622 -5.565 1.00 1.23 H new ATOM 0 HG3 PRO A 93 22.316 4.591 -6.372 1.00 1.23 H new ATOM 0 HD2 PRO A 93 22.561 5.239 -3.467 1.00 1.00 H new ATOM 0 HD3 PRO A 93 21.129 4.837 -4.395 1.00 1.00 H new ATOM 1469 N ARG A 94 24.884 2.799 -2.679 1.00 1.03 N ATOM 1470 CA ARG A 94 26.013 2.482 -1.812 1.00 1.13 C ATOM 1471 C ARG A 94 25.584 1.677 -0.594 1.00 1.04 C ATOM 1472 O ARG A 94 26.399 0.983 0.014 1.00 1.16 O ATOM 1473 CB ARG A 94 26.711 3.765 -1.358 1.00 1.37 C ATOM 1474 CG ARG A 94 27.366 4.537 -2.489 1.00 1.93 C ATOM 1475 CD ARG A 94 28.502 3.743 -3.115 1.00 2.43 C ATOM 1476 NE ARG A 94 29.091 4.436 -4.257 1.00 3.09 N ATOM 1477 CZ ARG A 94 30.009 3.899 -5.058 1.00 3.87 C ATOM 1478 NH1 ARG A 94 30.502 2.695 -4.795 1.00 4.14 N ATOM 1479 NH2 ARG A 94 30.445 4.568 -6.114 1.00 4.77 N ATOM 0 H ARG A 94 24.451 3.704 -2.493 1.00 1.03 H new ATOM 0 HA ARG A 94 26.706 1.873 -2.393 1.00 1.13 H new ATOM 0 HB2 ARG A 94 25.983 4.409 -0.864 1.00 1.37 H new ATOM 0 HB3 ARG A 94 27.468 3.513 -0.616 1.00 1.37 H new ATOM 0 HG2 ARG A 94 26.622 4.773 -3.250 1.00 1.93 H new ATOM 0 HG3 ARG A 94 27.747 5.486 -2.111 1.00 1.93 H new ATOM 0 HD2 ARG A 94 29.272 3.560 -2.366 1.00 2.43 H new ATOM 0 HD3 ARG A 94 28.130 2.769 -3.434 1.00 2.43 H new ATOM 0 HE ARG A 94 28.781 5.388 -4.453 1.00 3.09 H new ATOM 0 HH11 ARG A 94 30.178 2.179 -3.977 1.00 4.14 H new ATOM 0 HH12 ARG A 94 31.205 2.286 -5.411 1.00 4.14 H new ATOM 0 HH21 ARG A 94 30.078 5.498 -6.316 1.00 4.77 H new ATOM 0 HH22 ARG A 94 31.148 4.154 -6.726 1.00 4.77 H new ATOM 1493 N ASN A 95 24.311 1.755 -0.240 1.00 0.99 N ATOM 1494 CA ASN A 95 23.816 1.061 0.941 1.00 1.00 C ATOM 1495 C ASN A 95 22.955 -0.126 0.543 1.00 0.85 C ATOM 1496 O ASN A 95 22.939 -1.144 1.237 1.00 0.92 O ATOM 1497 CB ASN A 95 23.005 2.013 1.828 1.00 1.15 C ATOM 1498 CG ASN A 95 23.875 2.970 2.621 1.00 1.58 C ATOM 1499 OD1 ASN A 95 24.275 4.024 2.124 1.00 2.23 O ATOM 1500 ND2 ASN A 95 24.141 2.630 3.874 1.00 1.99 N ATOM 0 H ASN A 95 23.605 2.288 -0.749 1.00 0.99 H new ATOM 0 HA ASN A 95 24.677 0.701 1.504 1.00 1.00 H new ATOM 0 HB2 ASN A 95 22.319 2.586 1.204 1.00 1.15 H new ATOM 0 HB3 ASN A 95 22.396 1.428 2.517 1.00 1.15 H new ATOM 0 HD21 ASN A 95 24.695 3.250 4.464 1.00 1.99 H new ATOM 0 HD22 ASN A 95 23.791 1.748 4.248 1.00 1.99 H new ATOM 1507 N LEU A 96 22.249 0.010 -0.586 1.00 0.72 N ATOM 1508 CA LEU A 96 21.404 -1.048 -1.116 1.00 0.63 C ATOM 1509 C LEU A 96 20.398 -1.521 -0.092 1.00 0.64 C ATOM 1510 O LEU A 96 19.919 -2.655 -0.150 1.00 0.67 O ATOM 1511 CB LEU A 96 22.242 -2.210 -1.623 1.00 0.74 C ATOM 1512 CG LEU A 96 22.998 -1.944 -2.914 1.00 0.86 C ATOM 1513 CD1 LEU A 96 23.658 -3.212 -3.401 1.00 1.22 C ATOM 1514 CD2 LEU A 96 22.074 -1.391 -3.985 1.00 1.76 C ATOM 0 H LEU A 96 22.253 0.859 -1.152 1.00 0.72 H new ATOM 0 HA LEU A 96 20.849 -0.632 -1.957 1.00 0.63 H new ATOM 0 HB2 LEU A 96 22.960 -2.485 -0.850 1.00 0.74 H new ATOM 0 HB3 LEU A 96 21.590 -3.070 -1.773 1.00 0.74 H new ATOM 0 HG LEU A 96 23.766 -1.197 -2.710 1.00 0.86 H new ATOM 0 HD11 LEU A 96 24.197 -3.009 -4.327 1.00 1.22 H new ATOM 0 HD12 LEU A 96 24.357 -3.572 -2.646 1.00 1.22 H new ATOM 0 HD13 LEU A 96 22.897 -3.971 -3.583 1.00 1.22 H new ATOM 0 HD21 LEU A 96 22.642 -1.210 -4.898 1.00 1.76 H new ATOM 0 HD22 LEU A 96 21.281 -2.110 -4.188 1.00 1.76 H new ATOM 0 HD23 LEU A 96 21.635 -0.455 -3.639 1.00 1.76 H new ATOM 1526 N GLN A 97 20.065 -0.647 0.836 1.00 0.71 N ATOM 1527 CA GLN A 97 19.023 -0.935 1.787 1.00 0.76 C ATOM 1528 C GLN A 97 17.717 -0.460 1.191 1.00 0.64 C ATOM 1529 O GLN A 97 17.711 0.579 0.536 1.00 0.61 O ATOM 1530 CB GLN A 97 19.312 -0.264 3.144 1.00 0.94 C ATOM 1531 CG GLN A 97 19.727 1.208 3.079 1.00 1.21 C ATOM 1532 CD GLN A 97 18.557 2.173 2.985 1.00 2.02 C ATOM 1533 OE1 GLN A 97 17.463 1.893 3.472 1.00 2.29 O ATOM 1534 NE2 GLN A 97 18.794 3.332 2.387 1.00 2.81 N ATOM 0 H GLN A 97 20.504 0.267 0.948 1.00 0.71 H new ATOM 0 HA GLN A 97 18.969 -2.006 1.983 1.00 0.76 H new ATOM 0 HB2 GLN A 97 18.420 -0.344 3.766 1.00 0.94 H new ATOM 0 HB3 GLN A 97 20.102 -0.824 3.645 1.00 0.94 H new ATOM 0 HG2 GLN A 97 20.314 1.449 3.965 1.00 1.21 H new ATOM 0 HG3 GLN A 97 20.377 1.355 2.216 1.00 1.21 H new ATOM 0 HE21 GLN A 97 19.716 3.525 1.996 1.00 2.81 H new ATOM 0 HE22 GLN A 97 18.054 4.031 2.318 1.00 2.81 H new ATOM 1543 N PRO A 98 16.631 -1.243 1.315 1.00 0.62 N ATOM 1544 CA PRO A 98 15.282 -0.807 0.950 1.00 0.55 C ATOM 1545 C PRO A 98 14.989 0.604 1.454 1.00 0.55 C ATOM 1546 O PRO A 98 14.462 0.807 2.550 1.00 0.62 O ATOM 1547 CB PRO A 98 14.365 -1.842 1.622 1.00 0.60 C ATOM 1548 CG PRO A 98 15.272 -2.739 2.414 1.00 0.62 C ATOM 1549 CD PRO A 98 16.625 -2.629 1.773 1.00 0.72 C ATOM 0 HA PRO A 98 15.141 -0.757 -0.130 1.00 0.55 H new ATOM 0 HB2 PRO A 98 13.634 -1.356 2.268 1.00 0.60 H new ATOM 0 HB3 PRO A 98 13.805 -2.410 0.879 1.00 0.60 H new ATOM 0 HG2 PRO A 98 15.309 -2.432 3.459 1.00 0.62 H new ATOM 0 HG3 PRO A 98 14.915 -3.769 2.397 1.00 0.62 H new ATOM 0 HD2 PRO A 98 17.429 -2.828 2.481 1.00 0.72 H new ATOM 0 HD3 PRO A 98 16.744 -3.332 0.948 1.00 0.72 H new ATOM 1557 N GLN A 99 15.349 1.563 0.622 1.00 0.51 N ATOM 1558 CA GLN A 99 15.323 2.960 0.971 1.00 0.54 C ATOM 1559 C GLN A 99 13.895 3.477 0.942 1.00 0.50 C ATOM 1560 O GLN A 99 13.430 4.109 1.891 1.00 0.57 O ATOM 1561 CB GLN A 99 16.228 3.712 -0.009 1.00 0.56 C ATOM 1562 CG GLN A 99 15.874 5.165 -0.187 1.00 0.72 C ATOM 1563 CD GLN A 99 16.289 6.021 0.994 1.00 0.97 C ATOM 1564 OE1 GLN A 99 17.294 5.749 1.656 1.00 1.73 O ATOM 1565 NE2 GLN A 99 15.504 7.042 1.283 1.00 1.32 N ATOM 0 H GLN A 99 15.672 1.384 -0.329 1.00 0.51 H new ATOM 0 HA GLN A 99 15.695 3.116 1.984 1.00 0.54 H new ATOM 0 HB2 GLN A 99 17.259 3.641 0.338 1.00 0.56 H new ATOM 0 HB3 GLN A 99 16.184 3.217 -0.979 1.00 0.56 H new ATOM 0 HG2 GLN A 99 16.354 5.543 -1.090 1.00 0.72 H new ATOM 0 HG3 GLN A 99 14.798 5.256 -0.336 1.00 0.72 H new ATOM 0 HE21 GLN A 99 14.682 7.232 0.709 1.00 1.32 H new ATOM 0 HE22 GLN A 99 15.719 7.641 2.080 1.00 1.32 H new ATOM 1574 N CYS A 100 13.188 3.160 -0.128 1.00 0.43 N ATOM 1575 CA CYS A 100 11.798 3.523 -0.259 1.00 0.41 C ATOM 1576 C CYS A 100 11.092 2.455 -1.070 1.00 0.35 C ATOM 1577 O CYS A 100 11.642 1.930 -2.036 1.00 0.39 O ATOM 1578 CB CYS A 100 11.611 4.876 -0.948 1.00 0.45 C ATOM 1579 SG CYS A 100 12.573 6.241 -0.255 1.00 0.64 S ATOM 0 H CYS A 100 13.564 2.646 -0.925 1.00 0.43 H new ATOM 0 HA CYS A 100 11.377 3.604 0.743 1.00 0.41 H new ATOM 0 HB2 CYS A 100 11.873 4.767 -2.001 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.555 5.142 -0.908 1.00 0.45 H new ATOM 0 HG CYS A 100 13.140 5.856 0.850 1.00 0.64 H new ATOM 1585 N ILE A 101 9.895 2.119 -0.662 1.00 0.29 N ATOM 1586 CA ILE A 101 9.079 1.181 -1.396 1.00 0.27 C ATOM 1587 C ILE A 101 7.931 1.943 -2.019 1.00 0.23 C ATOM 1588 O ILE A 101 7.042 2.396 -1.321 1.00 0.28 O ATOM 1589 CB ILE A 101 8.519 0.053 -0.488 1.00 0.35 C ATOM 1590 CG1 ILE A 101 9.621 -0.928 -0.062 1.00 0.66 C ATOM 1591 CG2 ILE A 101 7.395 -0.694 -1.189 1.00 0.37 C ATOM 1592 CD1 ILE A 101 10.562 -0.388 0.996 1.00 0.73 C ATOM 0 H ILE A 101 9.458 2.485 0.184 1.00 0.29 H new ATOM 0 HA ILE A 101 9.698 0.704 -2.156 1.00 0.27 H new ATOM 0 HB ILE A 101 8.122 0.525 0.411 1.00 0.35 H new ATOM 0 HG12 ILE A 101 9.155 -1.839 0.314 1.00 0.66 H new ATOM 0 HG13 ILE A 101 10.203 -1.207 -0.941 1.00 0.66 H new ATOM 0 HG21 ILE A 101 7.017 -1.480 -0.535 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.589 0.000 -1.425 1.00 0.37 H new ATOM 0 HG23 ILE A 101 7.772 -1.139 -2.110 1.00 0.37 H new ATOM 0 HD11 ILE A 101 11.309 -1.144 1.239 1.00 0.73 H new ATOM 0 HD12 ILE A 101 11.059 0.505 0.619 1.00 0.73 H new ATOM 0 HD13 ILE A 101 9.996 -0.137 1.893 1.00 0.73 H new ATOM 1604 N MET A 102 7.909 2.067 -3.319 1.00 0.22 N ATOM 1605 CA MET A 102 6.876 2.877 -3.930 1.00 0.23 C ATOM 1606 C MET A 102 5.707 1.958 -4.235 1.00 0.22 C ATOM 1607 O MET A 102 5.904 0.845 -4.741 1.00 0.24 O ATOM 1608 CB MET A 102 7.390 3.561 -5.198 1.00 0.30 C ATOM 1609 CG MET A 102 7.636 2.601 -6.325 1.00 0.69 C ATOM 1610 SD MET A 102 6.301 2.591 -7.540 1.00 1.47 S ATOM 1611 CE MET A 102 6.281 4.316 -8.034 1.00 1.81 C ATOM 0 H MET A 102 8.570 1.634 -3.964 1.00 0.22 H new ATOM 0 HA MET A 102 6.566 3.674 -3.255 1.00 0.23 H new ATOM 0 HB2 MET A 102 6.666 4.311 -5.518 1.00 0.30 H new ATOM 0 HB3 MET A 102 8.316 4.089 -4.969 1.00 0.30 H new ATOM 0 HG2 MET A 102 8.571 2.862 -6.821 1.00 0.69 H new ATOM 0 HG3 MET A 102 7.760 1.597 -5.920 1.00 0.69 H new ATOM 0 HE1 MET A 102 5.707 4.424 -8.954 1.00 1.81 H new ATOM 0 HE2 MET A 102 5.821 4.914 -7.247 1.00 1.81 H new ATOM 0 HE3 MET A 102 7.302 4.659 -8.201 1.00 1.81 H new ATOM 1621 N CYS A 103 4.513 2.363 -3.848 1.00 0.25 N ATOM 1622 CA CYS A 103 3.334 1.559 -4.109 1.00 0.26 C ATOM 1623 C CYS A 103 2.282 2.364 -4.847 1.00 0.27 C ATOM 1624 O CYS A 103 1.706 3.301 -4.301 1.00 0.32 O ATOM 1625 CB CYS A 103 2.758 1.050 -2.791 1.00 0.31 C ATOM 1626 SG CYS A 103 3.876 -0.034 -1.871 1.00 0.39 S ATOM 0 H CYS A 103 4.334 3.238 -3.355 1.00 0.25 H new ATOM 0 HA CYS A 103 3.624 0.715 -4.735 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.500 1.904 -2.165 1.00 0.31 H new ATOM 0 HB3 CYS A 103 1.832 0.512 -2.994 1.00 0.31 H new ATOM 0 HG CYS A 103 3.234 -0.581 -0.882 1.00 0.39 H new ATOM 1632 N VAL A 104 2.039 2.009 -6.090 1.00 0.27 N ATOM 1633 CA VAL A 104 0.961 2.619 -6.836 1.00 0.28 C ATOM 1634 C VAL A 104 -0.310 1.808 -6.619 1.00 0.29 C ATOM 1635 O VAL A 104 -0.373 0.633 -6.985 1.00 0.29 O ATOM 1636 CB VAL A 104 1.296 2.710 -8.339 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.187 3.410 -9.097 1.00 0.35 C ATOM 1638 CG2 VAL A 104 2.618 3.432 -8.553 1.00 0.34 C ATOM 0 H VAL A 104 2.570 1.305 -6.603 1.00 0.27 H new ATOM 0 HA VAL A 104 0.815 3.638 -6.477 1.00 0.28 H new ATOM 0 HB VAL A 104 1.389 1.695 -8.725 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.446 3.462 -10.155 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.743 2.853 -8.978 1.00 0.35 H new ATOM 0 HG13 VAL A 104 0.059 4.419 -8.705 1.00 0.35 H new ATOM 0 HG21 VAL A 104 2.835 3.485 -9.620 1.00 0.34 H new ATOM 0 HG22 VAL A 104 2.552 4.441 -8.146 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.416 2.888 -8.047 1.00 0.34 H new ATOM 1648 N ASN A 105 -1.301 2.435 -5.999 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.537 1.747 -5.636 1.00 0.30 C ATOM 1650 C ASN A 105 -3.608 1.956 -6.683 1.00 0.27 C ATOM 1651 O ASN A 105 -3.847 3.084 -7.124 1.00 0.39 O ATOM 1652 CB ASN A 105 -3.059 2.217 -4.275 1.00 0.33 C ATOM 1653 CG ASN A 105 -2.299 1.608 -3.114 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -2.665 0.555 -2.594 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -1.243 2.272 -2.692 1.00 0.63 N ATOM 0 H ASN A 105 -1.275 3.420 -5.736 1.00 0.29 H new ATOM 0 HA ASN A 105 -2.302 0.684 -5.575 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -2.989 3.303 -4.219 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -4.115 1.960 -4.187 1.00 0.33 H new ATOM 0 HD21 ASN A 105 -0.697 1.916 -1.908 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -0.971 3.142 -3.150 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.265 0.862 -7.044 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.297 0.875 -8.066 1.00 0.24 C ATOM 1664 C TYR A 106 -6.622 0.417 -7.475 1.00 0.25 C ATOM 1665 O TYR A 106 -6.878 -0.781 -7.352 1.00 0.26 O ATOM 1666 CB TYR A 106 -4.920 -0.031 -9.238 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.624 0.347 -9.921 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -3.594 1.338 -10.894 1.00 0.35 C ATOM 1669 CD2 TYR A 106 -2.430 -0.282 -9.588 1.00 0.31 C ATOM 1670 CE1 TYR A 106 -2.414 1.690 -11.516 1.00 0.40 C ATOM 1671 CE2 TYR A 106 -1.245 0.067 -10.207 1.00 0.35 C ATOM 1672 CZ TYR A 106 -1.243 1.029 -11.182 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.069 1.403 -11.791 1.00 0.48 O ATOM 0 H TYR A 106 -4.096 -0.057 -6.636 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.395 1.896 -8.434 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -4.843 -1.057 -8.879 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.725 -0.010 -9.973 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -4.509 1.841 -11.168 1.00 0.35 H new ATOM 0 HD2 TYR A 106 -2.429 -1.055 -8.834 1.00 0.31 H new ATOM 0 HE1 TYR A 106 -2.403 2.475 -12.258 1.00 0.40 H new ATOM 0 HE2 TYR A 106 -0.323 -0.418 -9.923 1.00 0.35 H new ATOM 0 HH TYR A 106 0.515 0.622 -11.883 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.434 1.377 -7.074 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.754 1.088 -6.535 1.00 0.28 C ATOM 1685 C VAL A 107 -9.663 0.582 -7.647 1.00 0.33 C ATOM 1686 O VAL A 107 -10.091 1.350 -8.511 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.401 2.327 -5.879 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.706 1.958 -5.191 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.449 2.974 -4.893 1.00 0.62 C ATOM 0 H VAL A 107 -7.203 2.370 -7.111 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.630 0.326 -5.765 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.621 3.046 -6.668 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -11.142 2.848 -4.737 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.400 1.547 -5.924 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.512 1.214 -4.418 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.927 3.845 -4.444 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -8.192 2.258 -4.112 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.543 3.285 -5.413 1.00 0.62 H new ATOM 1699 N LEU A 108 -9.927 -0.714 -7.634 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.753 -1.344 -8.651 1.00 0.39 C ATOM 1701 C LEU A 108 -12.203 -1.385 -8.193 1.00 0.44 C ATOM 1702 O LEU A 108 -13.045 -0.621 -8.667 1.00 0.60 O ATOM 1703 CB LEU A 108 -10.262 -2.771 -8.930 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.774 -2.909 -9.256 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -8.404 -4.363 -9.447 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -8.420 -2.132 -10.498 1.00 0.48 C ATOM 0 H LEU A 108 -9.577 -1.356 -6.923 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.680 -0.758 -9.567 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -10.483 -3.388 -8.059 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.837 -3.177 -9.763 1.00 0.44 H new ATOM 0 HG LEU A 108 -8.211 -2.503 -8.415 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -7.342 -4.441 -9.678 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -8.618 -4.916 -8.532 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -8.986 -4.782 -10.268 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -7.357 -2.247 -10.708 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -8.999 -2.510 -11.341 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -8.648 -1.077 -10.345 1.00 0.48 H new ATOM 1718 N SER A 109 -12.480 -2.264 -7.243 1.00 0.44 N ATOM 1719 CA SER A 109 -13.827 -2.438 -6.735 1.00 0.54 C ATOM 1720 C SER A 109 -14.037 -1.561 -5.504 1.00 0.64 C ATOM 1721 O SER A 109 -13.073 -1.050 -4.927 1.00 0.93 O ATOM 1722 CB SER A 109 -14.070 -3.913 -6.398 1.00 0.64 C ATOM 1723 OG SER A 109 -15.447 -4.185 -6.232 1.00 1.46 O ATOM 0 H SER A 109 -11.784 -2.870 -6.808 1.00 0.44 H new ATOM 0 HA SER A 109 -14.542 -2.135 -7.500 1.00 0.54 H new ATOM 0 HB2 SER A 109 -13.667 -4.540 -7.193 1.00 0.64 H new ATOM 0 HB3 SER A 109 -13.534 -4.172 -5.485 1.00 0.64 H new ATOM 0 HG SER A 109 -15.570 -5.134 -6.019 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.290 -1.386 -5.115 1.00 0.62 N ATOM 1730 CA GLU A 110 -15.630 -0.527 -3.989 1.00 0.74 C ATOM 1731 C GLU A 110 -15.650 -1.320 -2.685 1.00 0.59 C ATOM 1732 O GLU A 110 -15.088 -2.413 -2.606 1.00 0.55 O ATOM 1733 CB GLU A 110 -16.969 0.203 -4.230 1.00 1.07 C ATOM 1734 CG GLU A 110 -17.931 -0.497 -5.177 1.00 1.46 C ATOM 1735 CD GLU A 110 -18.446 -1.821 -4.650 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -17.753 -2.848 -4.825 1.00 2.41 O ATOM 1737 OE2 GLU A 110 -19.523 -1.839 -4.031 1.00 2.94 O ATOM 0 H GLU A 110 -16.092 -1.829 -5.564 1.00 0.62 H new ATOM 0 HA GLU A 110 -14.856 0.235 -3.899 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -17.466 0.341 -3.270 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -16.756 1.197 -4.624 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -18.778 0.161 -5.373 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -17.431 -0.665 -6.131 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.282 -0.752 -1.666 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.292 -1.335 -0.329 1.00 0.59 C ATOM 1746 C ILE A 111 -16.986 -2.682 -0.299 1.00 0.58 C ATOM 1747 O ILE A 111 -18.189 -2.792 -0.518 1.00 0.68 O ATOM 1748 CB ILE A 111 -16.958 -0.388 0.692 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -16.320 1.003 0.618 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -16.830 -0.956 2.098 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -16.955 2.017 1.545 1.00 0.89 C ATOM 0 H ILE A 111 -16.801 0.123 -1.742 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.248 -1.482 -0.051 1.00 0.59 H new ATOM 0 HB ILE A 111 -18.017 -0.298 0.449 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -15.260 0.919 0.858 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -16.387 1.369 -0.406 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -17.304 -0.279 2.809 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -17.319 -1.929 2.143 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -15.776 -1.068 2.351 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -16.450 2.977 1.436 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -18.009 2.131 1.292 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.864 1.675 2.576 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.193 -3.697 -0.026 1.00 0.53 N ATOM 1764 CA GLU A 112 -16.670 -5.033 0.185 1.00 0.61 C ATOM 1765 C GLU A 112 -16.824 -5.250 1.675 1.00 0.64 C ATOM 1766 O GLU A 112 -15.858 -5.530 2.388 1.00 0.73 O ATOM 1767 CB GLU A 112 -15.699 -6.049 -0.410 1.00 0.68 C ATOM 1768 CG GLU A 112 -15.999 -7.477 0.002 1.00 1.14 C ATOM 1769 CD GLU A 112 -15.030 -8.478 -0.586 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -15.114 -8.737 -1.804 1.00 1.64 O ATOM 1771 OE2 GLU A 112 -14.180 -9.011 0.165 1.00 1.56 O ATOM 0 H GLU A 112 -15.180 -3.607 0.055 1.00 0.53 H new ATOM 0 HA GLU A 112 -17.631 -5.169 -0.311 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -15.730 -5.978 -1.497 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -14.685 -5.795 -0.103 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -15.972 -7.549 1.089 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -17.012 -7.734 -0.309 1.00 1.14 H new ATOM 1778 N LYS A 113 -18.032 -5.059 2.145 1.00 0.82 N ATOM 1779 CA LYS A 113 -18.328 -5.163 3.554 1.00 0.95 C ATOM 1780 C LYS A 113 -18.497 -6.621 3.947 1.00 1.14 C ATOM 1781 O LYS A 113 -19.617 -7.121 4.075 1.00 1.29 O ATOM 1782 CB LYS A 113 -19.593 -4.382 3.839 1.00 1.09 C ATOM 1783 CG LYS A 113 -19.464 -2.901 3.531 1.00 1.10 C ATOM 1784 CD LYS A 113 -20.735 -2.368 2.902 1.00 1.47 C ATOM 1785 CE LYS A 113 -20.701 -0.860 2.745 1.00 1.97 C ATOM 1786 NZ LYS A 113 -21.877 -0.372 1.977 1.00 2.69 N ATOM 0 H LYS A 113 -18.837 -4.827 1.563 1.00 0.82 H new ATOM 0 HA LYS A 113 -17.506 -4.751 4.140 1.00 0.95 H new ATOM 0 HB2 LYS A 113 -20.410 -4.799 3.250 1.00 1.09 H new ATOM 0 HB3 LYS A 113 -19.860 -4.506 4.888 1.00 1.09 H new ATOM 0 HG2 LYS A 113 -19.249 -2.352 4.448 1.00 1.10 H new ATOM 0 HG3 LYS A 113 -18.623 -2.737 2.857 1.00 1.10 H new ATOM 0 HD2 LYS A 113 -20.878 -2.831 1.926 1.00 1.47 H new ATOM 0 HD3 LYS A 113 -21.590 -2.649 3.517 1.00 1.47 H new ATOM 0 HE2 LYS A 113 -20.685 -0.390 3.728 1.00 1.97 H new ATOM 0 HE3 LYS A 113 -19.783 -0.565 2.236 1.00 1.97 H new ATOM 0 HZ1 LYS A 113 -21.827 0.663 1.886 1.00 2.69 H new ATOM 0 HZ2 LYS A 113 -21.877 -0.804 1.031 1.00 2.69 H new ATOM 0 HZ3 LYS A 113 -22.751 -0.633 2.477 1.00 2.69 H new ATOM 1800 N ASN A 114 -17.380 -7.307 4.089 1.00 1.33 N ATOM 1801 CA ASN A 114 -17.400 -8.716 4.422 1.00 1.59 C ATOM 1802 C ASN A 114 -17.110 -8.912 5.903 1.00 1.87 C ATOM 1803 O ASN A 114 -18.075 -8.976 6.695 1.00 2.52 O ATOM 1804 CB ASN A 114 -16.385 -9.479 3.575 1.00 2.62 C ATOM 1805 CG ASN A 114 -16.608 -10.973 3.635 1.00 3.39 C ATOM 1806 OD1 ASN A 114 -15.663 -11.758 3.564 1.00 3.87 O ATOM 1807 ND2 ASN A 114 -17.867 -11.374 3.721 1.00 3.97 N ATOM 1808 OXT ASN A 114 -15.921 -8.979 6.275 1.00 2.41 O ATOM 0 H ASN A 114 -16.447 -6.910 3.979 1.00 1.33 H new ATOM 0 HA ASN A 114 -18.393 -9.110 4.207 1.00 1.59 H new ATOM 0 HB2 ASN A 114 -16.451 -9.144 2.540 1.00 2.62 H new ATOM 0 HB3 ASN A 114 -15.377 -9.248 3.921 1.00 2.62 H new ATOM 0 HD21 ASN A 114 -18.085 -12.370 3.730 1.00 3.97 H new ATOM 0 HD22 ASN A 114 -18.618 -10.687 3.778 1.00 3.97 H new TER 1815 ASN A 114