USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 648 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 18 LYS NZ :NH3+ -128:sc= 0.923 (180deg=0) USER MOD Set 1.2: A 33 TYR OH : rot 100:sc= 0.835 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.994 (180deg=0.0233) USER MOD Single : A 2 GLN : amide:sc= -2.95 K(o=-3,f=-3.7) USER MOD Single : A 3 THR OG1 : rot 103:sc= 0.275 USER MOD Single : A 9 SER OG : rot 180:sc= 0.175 USER MOD Single : A 11 CYS SG : rot -9:sc= -0.245 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -152:sc= 0.399 USER MOD Single : A 23 LYS NZ :NH3+ 156:sc= 1.28 (180deg=1.16) USER MOD Single : A 25 SER OG : rot 66:sc= 0.614 USER MOD Single : A 26 ASN : amide:sc=-0.00291 X(o=-0.0029,f=-0.47) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 35 TYR OH : rot 131:sc= -0.0936 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.393 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00385 X(o=-0.0039,f=-0.00035) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.868 K(o=0.87,f=-5.5!) USER MOD Single : A 66 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.16) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.295 K(o=-0.29,f=-1.2) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 72:sc= 0.851 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc=-0.00372 X(o=-0.0037,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.416 3.330 10.745 1.00 2.20 N ATOM 2 CA MET A 1 9.443 2.947 9.325 1.00 1.95 C ATOM 3 C MET A 1 8.448 3.829 8.567 1.00 1.69 C ATOM 4 O MET A 1 7.891 4.746 9.162 1.00 2.06 O ATOM 5 CB MET A 1 9.255 1.437 9.090 1.00 1.96 C ATOM 6 CG MET A 1 7.877 0.854 9.427 1.00 2.02 C ATOM 7 SD MET A 1 7.469 0.768 11.186 1.00 2.85 S ATOM 8 CE MET A 1 5.900 -0.118 11.105 1.00 2.81 C ATOM 0 H1 MET A 1 10.389 3.388 11.107 1.00 2.20 H new ATOM 0 H2 MET A 1 8.953 4.256 10.846 1.00 2.20 H new ATOM 0 H3 MET A 1 8.887 2.617 11.287 1.00 2.20 H new ATOM 0 HA MET A 1 10.440 3.129 8.925 1.00 1.95 H new ATOM 0 HB2 MET A 1 9.466 1.227 8.042 1.00 1.96 H new ATOM 0 HB3 MET A 1 10.003 0.905 9.679 1.00 1.96 H new ATOM 0 HG2 MET A 1 7.117 1.454 8.926 1.00 2.02 H new ATOM 0 HG3 MET A 1 7.816 -0.151 9.010 1.00 2.02 H new ATOM 0 HE1 MET A 1 5.508 -0.256 12.113 1.00 2.81 H new ATOM 0 HE2 MET A 1 5.187 0.457 10.514 1.00 2.81 H new ATOM 0 HE3 MET A 1 6.055 -1.091 10.640 1.00 2.81 H new ATOM 20 N GLN A 2 8.197 3.547 7.294 1.00 1.24 N ATOM 21 CA GLN A 2 7.412 4.356 6.370 1.00 1.07 C ATOM 22 C GLN A 2 6.712 3.366 5.453 1.00 0.80 C ATOM 23 O GLN A 2 7.155 2.220 5.310 1.00 0.90 O ATOM 24 CB GLN A 2 8.348 5.291 5.587 1.00 1.18 C ATOM 25 CG GLN A 2 7.837 6.732 5.494 1.00 1.32 C ATOM 26 CD GLN A 2 6.745 6.910 4.448 1.00 2.04 C ATOM 27 OE1 GLN A 2 6.463 6.033 3.641 1.00 3.30 O ATOM 28 NE2 GLN A 2 6.128 8.073 4.389 1.00 2.42 N ATOM 0 H GLN A 2 8.556 2.700 6.854 1.00 1.24 H new ATOM 0 HA GLN A 2 6.684 4.990 6.877 1.00 1.07 H new ATOM 0 HB2 GLN A 2 9.329 5.292 6.063 1.00 1.18 H new ATOM 0 HB3 GLN A 2 8.483 4.896 4.580 1.00 1.18 H new ATOM 0 HG2 GLN A 2 7.454 7.039 6.467 1.00 1.32 H new ATOM 0 HG3 GLN A 2 8.671 7.393 5.257 1.00 1.32 H new ATOM 0 HE21 GLN A 2 6.359 8.807 5.058 1.00 2.42 H new ATOM 0 HE22 GLN A 2 5.420 8.239 3.674 1.00 2.42 H new ATOM 37 N THR A 3 5.594 3.777 4.872 1.00 0.91 N ATOM 38 CA THR A 3 4.775 2.915 4.059 1.00 0.73 C ATOM 39 C THR A 3 4.115 3.753 2.957 1.00 0.73 C ATOM 40 O THR A 3 3.228 4.564 3.227 1.00 1.24 O ATOM 41 CB THR A 3 3.814 2.161 4.990 1.00 0.76 C ATOM 42 OG1 THR A 3 4.525 1.546 6.049 1.00 1.13 O ATOM 43 CG2 THR A 3 3.045 1.093 4.241 1.00 1.15 C ATOM 0 H THR A 3 5.234 4.728 4.958 1.00 0.91 H new ATOM 0 HA THR A 3 5.345 2.151 3.531 1.00 0.73 H new ATOM 0 HB THR A 3 3.113 2.894 5.389 1.00 0.76 H new ATOM 0 HG1 THR A 3 4.416 2.075 6.867 1.00 1.13 H new ATOM 0 HG21 THR A 3 2.374 0.578 4.929 1.00 1.15 H new ATOM 0 HG22 THR A 3 2.463 1.555 3.444 1.00 1.15 H new ATOM 0 HG23 THR A 3 3.744 0.376 3.811 1.00 1.15 H new ATOM 51 N VAL A 4 4.575 3.586 1.718 1.00 0.69 N ATOM 52 CA VAL A 4 4.127 4.347 0.561 1.00 0.67 C ATOM 53 C VAL A 4 2.862 3.676 0.019 1.00 0.61 C ATOM 54 O VAL A 4 2.690 2.477 0.228 1.00 0.73 O ATOM 55 CB VAL A 4 5.256 4.395 -0.485 1.00 0.86 C ATOM 56 CG1 VAL A 4 4.864 5.204 -1.728 1.00 1.01 C ATOM 57 CG2 VAL A 4 6.511 5.042 0.115 1.00 1.08 C ATOM 0 H VAL A 4 5.291 2.896 1.489 1.00 0.69 H new ATOM 0 HA VAL A 4 3.889 5.377 0.825 1.00 0.67 H new ATOM 0 HB VAL A 4 5.448 3.363 -0.778 1.00 0.86 H new ATOM 0 HG11 VAL A 4 5.693 5.208 -2.436 1.00 1.01 H new ATOM 0 HG12 VAL A 4 3.990 4.751 -2.196 1.00 1.01 H new ATOM 0 HG13 VAL A 4 4.630 6.228 -1.437 1.00 1.01 H new ATOM 0 HG21 VAL A 4 7.301 5.069 -0.636 1.00 1.08 H new ATOM 0 HG22 VAL A 4 6.279 6.058 0.435 1.00 1.08 H new ATOM 0 HG23 VAL A 4 6.846 4.459 0.973 1.00 1.08 H new ATOM 67 N ILE A 5 1.981 4.417 -0.659 1.00 0.63 N ATOM 68 CA ILE A 5 0.704 3.933 -1.173 1.00 0.60 C ATOM 69 C ILE A 5 0.558 4.405 -2.613 1.00 0.64 C ATOM 70 O ILE A 5 0.805 5.577 -2.870 1.00 0.66 O ATOM 71 CB ILE A 5 -0.443 4.509 -0.327 1.00 0.65 C ATOM 72 CG1 ILE A 5 -0.204 4.295 1.178 1.00 0.86 C ATOM 73 CG2 ILE A 5 -1.798 3.986 -0.841 1.00 0.70 C ATOM 74 CD1 ILE A 5 -1.465 4.406 2.046 1.00 1.55 C ATOM 0 H ILE A 5 2.146 5.401 -0.870 1.00 0.63 H new ATOM 0 HA ILE A 5 0.669 2.845 -1.127 1.00 0.60 H new ATOM 0 HB ILE A 5 -0.471 5.592 -0.446 1.00 0.65 H new ATOM 0 HG12 ILE A 5 0.238 3.310 1.326 1.00 0.86 H new ATOM 0 HG13 ILE A 5 0.526 5.027 1.525 1.00 0.86 H new ATOM 0 HG21 ILE A 5 -2.602 4.401 -0.234 1.00 0.70 H new ATOM 0 HG22 ILE A 5 -1.934 4.288 -1.879 1.00 0.70 H new ATOM 0 HG23 ILE A 5 -1.817 2.898 -0.774 1.00 0.70 H new ATOM 0 HD11 ILE A 5 -1.203 4.241 3.091 1.00 1.55 H new ATOM 0 HD12 ILE A 5 -1.898 5.400 1.933 1.00 1.55 H new ATOM 0 HD13 ILE A 5 -2.191 3.656 1.731 1.00 1.55 H new ATOM 86 N PHE A 6 0.143 3.538 -3.536 1.00 0.97 N ATOM 87 CA PHE A 6 0.001 3.857 -4.936 1.00 1.10 C ATOM 88 C PHE A 6 -1.455 3.688 -5.373 1.00 1.25 C ATOM 89 O PHE A 6 -1.927 2.554 -5.359 1.00 1.41 O ATOM 90 CB PHE A 6 0.873 2.851 -5.681 1.00 1.16 C ATOM 91 CG PHE A 6 2.357 3.150 -5.648 1.00 1.13 C ATOM 92 CD1 PHE A 6 3.138 2.730 -4.555 1.00 1.56 C ATOM 93 CD2 PHE A 6 2.959 3.844 -6.712 1.00 1.56 C ATOM 94 CE1 PHE A 6 4.516 2.991 -4.530 1.00 1.74 C ATOM 95 CE2 PHE A 6 4.340 4.093 -6.694 1.00 1.60 C ATOM 96 CZ PHE A 6 5.114 3.673 -5.601 1.00 1.43 C ATOM 0 H PHE A 6 -0.107 2.574 -3.315 1.00 0.97 H new ATOM 0 HA PHE A 6 0.294 4.887 -5.140 1.00 1.10 H new ATOM 0 HB2 PHE A 6 0.706 1.862 -5.255 1.00 1.16 H new ATOM 0 HB3 PHE A 6 0.548 2.809 -6.721 1.00 1.16 H new ATOM 0 HD1 PHE A 6 2.675 2.205 -3.733 1.00 1.56 H new ATOM 0 HD2 PHE A 6 2.359 4.185 -7.543 1.00 1.56 H new ATOM 0 HE1 PHE A 6 5.114 2.669 -3.690 1.00 1.74 H new ATOM 0 HE2 PHE A 6 4.807 4.608 -7.521 1.00 1.60 H new ATOM 0 HZ PHE A 6 6.175 3.876 -5.584 1.00 1.43 H new ATOM 106 N GLY A 7 -2.128 4.751 -5.825 1.00 1.41 N ATOM 107 CA GLY A 7 -3.380 4.678 -6.591 1.00 1.74 C ATOM 108 C GLY A 7 -4.625 5.008 -5.757 1.00 1.71 C ATOM 109 O GLY A 7 -4.591 4.865 -4.535 1.00 2.82 O ATOM 0 H GLY A 7 -1.812 5.708 -5.666 1.00 1.41 H new ATOM 0 HA2 GLY A 7 -3.323 5.368 -7.433 1.00 1.74 H new ATOM 0 HA3 GLY A 7 -3.485 3.676 -7.006 1.00 1.74 H new ATOM 113 N ARG A 8 -5.702 5.498 -6.393 1.00 2.01 N ATOM 114 CA ARG A 8 -6.819 6.168 -5.718 1.00 2.67 C ATOM 115 C ARG A 8 -8.162 5.446 -5.743 1.00 2.38 C ATOM 116 O ARG A 8 -8.807 5.389 -6.789 1.00 3.29 O ATOM 117 CB ARG A 8 -7.095 7.558 -6.316 1.00 4.26 C ATOM 118 CG ARG A 8 -6.149 8.687 -5.921 1.00 5.46 C ATOM 119 CD ARG A 8 -4.757 8.465 -6.496 1.00 5.77 C ATOM 120 NE ARG A 8 -3.994 9.722 -6.510 1.00 7.04 N ATOM 121 CZ ARG A 8 -3.938 10.552 -7.560 1.00 7.79 C ATOM 122 NH1 ARG A 8 -4.864 10.496 -8.514 1.00 7.64 N ATOM 123 NH2 ARG A 8 -2.938 11.420 -7.638 1.00 9.15 N ATOM 0 H ARG A 8 -5.820 5.438 -7.404 1.00 2.01 H new ATOM 0 HA ARG A 8 -6.463 6.199 -4.688 1.00 2.67 H new ATOM 0 HB2 ARG A 8 -7.078 7.468 -7.402 1.00 4.26 H new ATOM 0 HB3 ARG A 8 -8.107 7.851 -6.036 1.00 4.26 H new ATOM 0 HG2 ARG A 8 -6.545 9.638 -6.277 1.00 5.46 H new ATOM 0 HG3 ARG A 8 -6.090 8.753 -4.835 1.00 5.46 H new ATOM 0 HD2 ARG A 8 -4.228 7.719 -5.903 1.00 5.77 H new ATOM 0 HD3 ARG A 8 -4.835 8.070 -7.509 1.00 5.77 H new ATOM 0 HE ARG A 8 -3.476 9.977 -5.669 1.00 7.04 H new ATOM 0 HH11 ARG A 8 -5.623 9.818 -8.449 1.00 7.64 H new ATOM 0 HH12 ARG A 8 -4.815 11.131 -9.310 1.00 7.64 H new ATOM 0 HH21 ARG A 8 -2.228 11.448 -6.906 1.00 9.15 H new ATOM 0 HH22 ARG A 8 -2.879 12.060 -8.430 1.00 9.15 H new ATOM 137 N SER A 9 -8.633 5.066 -4.552 1.00 2.51 N ATOM 138 CA SER A 9 -10.027 4.787 -4.246 1.00 3.01 C ATOM 139 C SER A 9 -10.763 4.064 -5.378 1.00 2.33 C ATOM 140 O SER A 9 -10.314 3.008 -5.822 1.00 2.74 O ATOM 141 CB SER A 9 -10.639 6.155 -3.873 1.00 4.17 C ATOM 142 OG SER A 9 -12.010 6.126 -3.516 1.00 5.43 O ATOM 0 H SER A 9 -8.022 4.941 -3.745 1.00 2.51 H new ATOM 0 HA SER A 9 -10.122 4.081 -3.421 1.00 3.01 H new ATOM 0 HB2 SER A 9 -10.072 6.574 -3.041 1.00 4.17 H new ATOM 0 HB3 SER A 9 -10.514 6.833 -4.717 1.00 4.17 H new ATOM 0 HG SER A 9 -12.310 7.032 -3.295 1.00 5.43 H new ATOM 148 N GLY A 10 -11.889 4.636 -5.814 1.00 2.37 N ATOM 149 CA GLY A 10 -12.717 4.140 -6.892 1.00 2.25 C ATOM 150 C GLY A 10 -13.373 2.804 -6.563 1.00 2.00 C ATOM 151 O GLY A 10 -13.653 2.042 -7.486 1.00 2.82 O ATOM 0 H GLY A 10 -12.255 5.494 -5.401 1.00 2.37 H new ATOM 0 HA2 GLY A 10 -13.490 4.874 -7.118 1.00 2.25 H new ATOM 0 HA3 GLY A 10 -12.110 4.030 -7.790 1.00 2.25 H new ATOM 155 N CYS A 11 -13.582 2.487 -5.281 1.00 1.73 N ATOM 156 CA CYS A 11 -13.982 1.180 -4.752 1.00 1.34 C ATOM 157 C CYS A 11 -13.591 1.139 -3.270 1.00 1.12 C ATOM 158 O CYS A 11 -12.493 1.565 -2.917 1.00 1.13 O ATOM 159 CB CYS A 11 -13.333 0.004 -5.498 1.00 1.32 C ATOM 160 SG CYS A 11 -11.608 0.248 -5.951 1.00 2.31 S ATOM 0 H CYS A 11 -13.469 3.179 -4.540 1.00 1.73 H new ATOM 0 HA CYS A 11 -15.058 1.067 -4.888 1.00 1.34 H new ATOM 0 HB2 CYS A 11 -13.407 -0.887 -4.874 1.00 1.32 H new ATOM 0 HB3 CYS A 11 -13.906 -0.193 -6.404 1.00 1.32 H new ATOM 0 HG CYS A 11 -11.267 1.480 -5.714 1.00 2.31 H new ATOM 165 N PRO A 12 -14.459 0.647 -2.373 1.00 1.17 N ATOM 166 CA PRO A 12 -14.323 0.889 -0.945 1.00 1.14 C ATOM 167 C PRO A 12 -13.058 0.268 -0.348 1.00 0.90 C ATOM 168 O PRO A 12 -12.269 0.964 0.283 1.00 0.87 O ATOM 169 CB PRO A 12 -15.608 0.354 -0.308 1.00 1.49 C ATOM 170 CG PRO A 12 -16.168 -0.630 -1.337 1.00 1.66 C ATOM 171 CD PRO A 12 -15.718 -0.019 -2.662 1.00 1.46 C ATOM 0 HA PRO A 12 -14.200 1.953 -0.742 1.00 1.14 H new ATOM 0 HB2 PRO A 12 -15.404 -0.139 0.642 1.00 1.49 H new ATOM 0 HB3 PRO A 12 -16.314 1.159 -0.104 1.00 1.49 H new ATOM 0 HG2 PRO A 12 -15.768 -1.634 -1.197 1.00 1.66 H new ATOM 0 HG3 PRO A 12 -17.253 -0.708 -1.274 1.00 1.66 H new ATOM 0 HD2 PRO A 12 -15.590 -0.787 -3.425 1.00 1.46 H new ATOM 0 HD3 PRO A 12 -16.458 0.686 -3.040 1.00 1.46 H new ATOM 179 N TYR A 13 -12.844 -1.036 -0.542 1.00 1.05 N ATOM 180 CA TYR A 13 -11.687 -1.745 0.013 1.00 1.21 C ATOM 181 C TYR A 13 -10.369 -1.080 -0.377 1.00 1.13 C ATOM 182 O TYR A 13 -9.416 -1.078 0.401 1.00 1.42 O ATOM 183 CB TYR A 13 -11.680 -3.196 -0.466 1.00 1.57 C ATOM 184 CG TYR A 13 -12.951 -3.950 -0.159 1.00 1.20 C ATOM 185 CD1 TYR A 13 -13.204 -4.370 1.157 1.00 2.47 C ATOM 186 CD2 TYR A 13 -13.908 -4.173 -1.164 1.00 2.53 C ATOM 187 CE1 TYR A 13 -14.449 -4.926 1.484 1.00 3.35 C ATOM 188 CE2 TYR A 13 -15.157 -4.714 -0.829 1.00 3.87 C ATOM 189 CZ TYR A 13 -15.441 -5.060 0.502 1.00 3.91 C ATOM 190 OH TYR A 13 -16.721 -5.338 0.878 1.00 5.53 O ATOM 0 H TYR A 13 -13.468 -1.630 -1.088 1.00 1.05 H new ATOM 0 HA TYR A 13 -11.777 -1.710 1.099 1.00 1.21 H new ATOM 0 HB2 TYR A 13 -11.512 -3.212 -1.543 1.00 1.57 H new ATOM 0 HB3 TYR A 13 -10.841 -3.716 -0.005 1.00 1.57 H new ATOM 0 HD1 TYR A 13 -12.442 -4.265 1.915 1.00 2.47 H new ATOM 0 HD2 TYR A 13 -13.682 -3.928 -2.191 1.00 2.53 H new ATOM 0 HE1 TYR A 13 -14.644 -5.252 2.495 1.00 3.35 H new ATOM 0 HE2 TYR A 13 -15.902 -4.865 -1.596 1.00 3.87 H new ATOM 0 HH TYR A 13 -17.290 -5.399 0.082 1.00 5.53 H new ATOM 200 N SER A 14 -10.328 -0.480 -1.569 1.00 0.96 N ATOM 201 CA SER A 14 -9.119 0.154 -2.054 1.00 1.14 C ATOM 202 C SER A 14 -8.815 1.314 -1.086 1.00 1.13 C ATOM 203 O SER A 14 -7.697 1.449 -0.588 1.00 1.34 O ATOM 204 CB SER A 14 -9.360 0.674 -3.487 1.00 1.32 C ATOM 205 OG SER A 14 -8.533 1.743 -3.914 1.00 1.42 O ATOM 0 H SER A 14 -11.121 -0.425 -2.208 1.00 0.96 H new ATOM 0 HA SER A 14 -8.277 -0.538 -2.090 1.00 1.14 H new ATOM 0 HB2 SER A 14 -9.229 -0.158 -4.179 1.00 1.32 H new ATOM 0 HB3 SER A 14 -10.399 0.993 -3.565 1.00 1.32 H new ATOM 0 HG SER A 14 -9.009 2.278 -4.583 1.00 1.42 H new ATOM 211 N VAL A 15 -9.807 2.161 -0.795 1.00 1.01 N ATOM 212 CA VAL A 15 -9.639 3.216 0.205 1.00 1.01 C ATOM 213 C VAL A 15 -9.313 2.599 1.553 1.00 0.74 C ATOM 214 O VAL A 15 -8.469 3.119 2.276 1.00 0.66 O ATOM 215 CB VAL A 15 -10.895 4.090 0.363 1.00 1.21 C ATOM 216 CG1 VAL A 15 -10.626 5.212 1.381 1.00 1.30 C ATOM 217 CG2 VAL A 15 -11.272 4.722 -0.968 1.00 1.53 C ATOM 0 H VAL A 15 -10.727 2.136 -1.234 1.00 1.01 H new ATOM 0 HA VAL A 15 -8.825 3.851 -0.144 1.00 1.01 H new ATOM 0 HB VAL A 15 -11.711 3.457 0.710 1.00 1.21 H new ATOM 0 HG11 VAL A 15 -11.519 5.828 1.489 1.00 1.30 H new ATOM 0 HG12 VAL A 15 -10.369 4.774 2.345 1.00 1.30 H new ATOM 0 HG13 VAL A 15 -9.799 5.830 1.031 1.00 1.30 H new ATOM 0 HG21 VAL A 15 -12.163 5.337 -0.839 1.00 1.53 H new ATOM 0 HG22 VAL A 15 -10.449 5.344 -1.322 1.00 1.53 H new ATOM 0 HG23 VAL A 15 -11.475 3.939 -1.698 1.00 1.53 H new ATOM 227 N ARG A 16 -9.999 1.513 1.905 1.00 0.71 N ATOM 228 CA ARG A 16 -9.868 0.912 3.218 1.00 0.69 C ATOM 229 C ARG A 16 -8.393 0.615 3.543 1.00 0.59 C ATOM 230 O ARG A 16 -8.008 0.615 4.705 1.00 0.57 O ATOM 231 CB ARG A 16 -10.781 -0.314 3.363 1.00 0.88 C ATOM 232 CG ARG A 16 -11.551 -0.367 4.691 1.00 1.39 C ATOM 233 CD ARG A 16 -10.671 -0.156 5.926 1.00 2.59 C ATOM 234 NE ARG A 16 -11.399 -0.461 7.165 1.00 3.03 N ATOM 235 CZ ARG A 16 -10.907 -0.441 8.414 1.00 4.35 C ATOM 236 NH1 ARG A 16 -9.752 0.163 8.695 1.00 5.59 N ATOM 237 NH2 ARG A 16 -11.619 -1.063 9.353 1.00 4.90 N ATOM 0 H ARG A 16 -10.655 1.033 1.289 1.00 0.71 H new ATOM 0 HA ARG A 16 -10.208 1.630 3.965 1.00 0.69 H new ATOM 0 HB2 ARG A 16 -11.496 -0.321 2.540 1.00 0.88 H new ATOM 0 HB3 ARG A 16 -10.177 -1.217 3.269 1.00 0.88 H new ATOM 0 HG2 ARG A 16 -12.331 0.394 4.678 1.00 1.39 H new ATOM 0 HG3 ARG A 16 -12.049 -1.333 4.773 1.00 1.39 H new ATOM 0 HD2 ARG A 16 -9.787 -0.790 5.857 1.00 2.59 H new ATOM 0 HD3 ARG A 16 -10.322 0.876 5.953 1.00 2.59 H new ATOM 0 HE ARG A 16 -12.382 -0.715 7.066 1.00 3.03 H new ATOM 0 HH11 ARG A 16 -9.223 0.622 7.954 1.00 5.59 H new ATOM 0 HH12 ARG A 16 -9.397 0.166 9.651 1.00 5.59 H new ATOM 0 HH21 ARG A 16 -12.494 -1.525 9.107 1.00 4.90 H new ATOM 0 HH22 ARG A 16 -11.289 -1.077 10.318 1.00 4.90 H new ATOM 251 N ALA A 17 -7.544 0.396 2.538 1.00 0.61 N ATOM 252 CA ALA A 17 -6.112 0.230 2.756 1.00 0.59 C ATOM 253 C ALA A 17 -5.463 1.528 3.256 1.00 0.56 C ATOM 254 O ALA A 17 -4.683 1.519 4.203 1.00 0.53 O ATOM 255 CB ALA A 17 -5.447 -0.245 1.462 1.00 0.61 C ATOM 0 H ALA A 17 -7.829 0.330 1.561 1.00 0.61 H new ATOM 0 HA ALA A 17 -5.967 -0.522 3.532 1.00 0.59 H new ATOM 0 HB1 ALA A 17 -4.377 -0.368 1.627 1.00 0.61 H new ATOM 0 HB2 ALA A 17 -5.880 -1.198 1.159 1.00 0.61 H new ATOM 0 HB3 ALA A 17 -5.610 0.493 0.677 1.00 0.61 H new ATOM 261 N LYS A 18 -5.763 2.643 2.591 1.00 0.59 N ATOM 262 CA LYS A 18 -5.266 3.968 2.943 1.00 0.63 C ATOM 263 C LYS A 18 -5.766 4.339 4.343 1.00 0.68 C ATOM 264 O LYS A 18 -4.992 4.754 5.201 1.00 0.71 O ATOM 265 CB LYS A 18 -5.721 4.958 1.855 1.00 0.67 C ATOM 266 CG LYS A 18 -5.575 6.441 2.228 1.00 0.90 C ATOM 267 CD LYS A 18 -5.530 7.279 0.939 1.00 1.42 C ATOM 268 CE LYS A 18 -6.166 8.667 1.036 1.00 1.98 C ATOM 269 NZ LYS A 18 -5.553 9.513 2.076 1.00 1.74 N ATOM 0 H LYS A 18 -6.373 2.648 1.774 1.00 0.59 H new ATOM 0 HA LYS A 18 -4.177 3.995 2.982 1.00 0.63 H new ATOM 0 HB2 LYS A 18 -5.146 4.768 0.948 1.00 0.67 H new ATOM 0 HB3 LYS A 18 -6.766 4.759 1.618 1.00 0.67 H new ATOM 0 HG2 LYS A 18 -6.411 6.756 2.853 1.00 0.90 H new ATOM 0 HG3 LYS A 18 -4.666 6.595 2.809 1.00 0.90 H new ATOM 0 HD2 LYS A 18 -4.489 7.395 0.638 1.00 1.42 H new ATOM 0 HD3 LYS A 18 -6.031 6.723 0.147 1.00 1.42 H new ATOM 0 HE2 LYS A 18 -6.080 9.168 0.072 1.00 1.98 H new ATOM 0 HE3 LYS A 18 -7.230 8.559 1.245 1.00 1.98 H new ATOM 0 HZ1 LYS A 18 -6.296 9.891 2.698 1.00 1.74 H new ATOM 0 HZ2 LYS A 18 -4.887 8.945 2.638 1.00 1.74 H new ATOM 0 HZ3 LYS A 18 -5.043 10.301 1.627 1.00 1.74 H new ATOM 283 N ASP A 19 -7.069 4.173 4.553 1.00 0.70 N ATOM 284 CA ASP A 19 -7.738 4.304 5.841 1.00 0.69 C ATOM 285 C ASP A 19 -6.996 3.514 6.917 1.00 0.64 C ATOM 286 O ASP A 19 -6.649 4.034 7.977 1.00 0.67 O ATOM 287 CB ASP A 19 -9.154 3.760 5.652 1.00 0.66 C ATOM 288 CG ASP A 19 -9.929 3.578 6.934 1.00 0.85 C ATOM 289 OD1 ASP A 19 -9.649 2.617 7.676 1.00 1.92 O ATOM 290 OD2 ASP A 19 -10.910 4.333 7.105 1.00 1.73 O ATOM 0 H ASP A 19 -7.713 3.934 3.799 1.00 0.70 H new ATOM 0 HA ASP A 19 -7.758 5.344 6.168 1.00 0.69 H new ATOM 0 HB2 ASP A 19 -9.706 4.438 5.001 1.00 0.66 H new ATOM 0 HB3 ASP A 19 -9.096 2.801 5.138 1.00 0.66 H new ATOM 295 N LEU A 20 -6.753 2.240 6.626 1.00 0.60 N ATOM 296 CA LEU A 20 -6.095 1.351 7.553 1.00 0.61 C ATOM 297 C LEU A 20 -4.718 1.901 7.888 1.00 0.50 C ATOM 298 O LEU A 20 -4.401 2.055 9.061 1.00 0.49 O ATOM 299 CB LEU A 20 -6.052 -0.061 6.967 1.00 0.71 C ATOM 300 CG LEU A 20 -5.497 -1.145 7.898 1.00 0.82 C ATOM 301 CD1 LEU A 20 -3.982 -1.187 7.869 1.00 1.84 C ATOM 302 CD2 LEU A 20 -6.022 -1.036 9.330 1.00 2.71 C ATOM 0 H LEU A 20 -7.009 1.804 5.740 1.00 0.60 H new ATOM 0 HA LEU A 20 -6.650 1.288 8.489 1.00 0.61 H new ATOM 0 HB2 LEU A 20 -7.062 -0.343 6.671 1.00 0.71 H new ATOM 0 HB3 LEU A 20 -5.448 -0.041 6.060 1.00 0.71 H new ATOM 0 HG LEU A 20 -5.868 -2.092 7.507 1.00 0.82 H new ATOM 0 HD11 LEU A 20 -3.627 -1.968 8.542 1.00 1.84 H new ATOM 0 HD12 LEU A 20 -3.643 -1.400 6.855 1.00 1.84 H new ATOM 0 HD13 LEU A 20 -3.585 -0.224 8.190 1.00 1.84 H new ATOM 0 HD21 LEU A 20 -5.591 -1.832 9.937 1.00 2.71 H new ATOM 0 HD22 LEU A 20 -5.742 -0.069 9.748 1.00 2.71 H new ATOM 0 HD23 LEU A 20 -7.108 -1.129 9.327 1.00 2.71 H new ATOM 314 N ALA A 21 -3.893 2.195 6.883 1.00 0.45 N ATOM 315 CA ALA A 21 -2.600 2.828 7.118 1.00 0.44 C ATOM 316 C ALA A 21 -2.716 4.062 8.022 1.00 0.44 C ATOM 317 O ALA A 21 -1.964 4.175 8.990 1.00 0.49 O ATOM 318 CB ALA A 21 -1.948 3.195 5.786 1.00 0.58 C ATOM 0 H ALA A 21 -4.098 2.005 5.902 1.00 0.45 H new ATOM 0 HA ALA A 21 -1.970 2.109 7.641 1.00 0.44 H new ATOM 0 HB1 ALA A 21 -0.983 3.667 5.971 1.00 0.58 H new ATOM 0 HB2 ALA A 21 -1.803 2.293 5.191 1.00 0.58 H new ATOM 0 HB3 ALA A 21 -2.592 3.887 5.244 1.00 0.58 H new ATOM 324 N GLU A 22 -3.643 4.979 7.723 1.00 0.53 N ATOM 325 CA GLU A 22 -3.848 6.194 8.505 1.00 0.68 C ATOM 326 C GLU A 22 -4.026 5.831 9.983 1.00 0.67 C ATOM 327 O GLU A 22 -3.346 6.385 10.848 1.00 0.71 O ATOM 328 CB GLU A 22 -5.055 6.975 7.953 1.00 0.93 C ATOM 329 CG GLU A 22 -5.403 8.223 8.776 1.00 1.18 C ATOM 330 CD GLU A 22 -6.677 8.862 8.278 1.00 1.51 C ATOM 331 OE1 GLU A 22 -7.750 8.242 8.435 1.00 2.87 O ATOM 332 OE2 GLU A 22 -6.602 9.977 7.723 1.00 2.20 O ATOM 0 H GLU A 22 -4.274 4.894 6.926 1.00 0.53 H new ATOM 0 HA GLU A 22 -2.974 6.841 8.424 1.00 0.68 H new ATOM 0 HB2 GLU A 22 -4.846 7.273 6.926 1.00 0.93 H new ATOM 0 HB3 GLU A 22 -5.922 6.315 7.923 1.00 0.93 H new ATOM 0 HG2 GLU A 22 -5.515 7.951 9.826 1.00 1.18 H new ATOM 0 HG3 GLU A 22 -4.585 8.941 8.718 1.00 1.18 H new ATOM 339 N LYS A 23 -4.943 4.912 10.281 1.00 0.70 N ATOM 340 CA LYS A 23 -5.162 4.442 11.641 1.00 0.81 C ATOM 341 C LYS A 23 -3.874 3.831 12.188 1.00 0.76 C ATOM 342 O LYS A 23 -3.407 4.211 13.254 1.00 0.96 O ATOM 343 CB LYS A 23 -6.337 3.450 11.644 1.00 0.89 C ATOM 344 CG LYS A 23 -6.640 2.801 13.003 1.00 2.09 C ATOM 345 CD LYS A 23 -6.733 3.821 14.141 1.00 3.34 C ATOM 346 CE LYS A 23 -7.203 3.167 15.452 1.00 4.20 C ATOM 347 NZ LYS A 23 -6.356 3.590 16.582 1.00 5.36 N ATOM 0 H LYS A 23 -5.551 4.476 9.587 1.00 0.70 H new ATOM 0 HA LYS A 23 -5.426 5.270 12.299 1.00 0.81 H new ATOM 0 HB2 LYS A 23 -7.231 3.969 11.300 1.00 0.89 H new ATOM 0 HB3 LYS A 23 -6.128 2.661 10.921 1.00 0.89 H new ATOM 0 HG2 LYS A 23 -7.579 2.251 12.937 1.00 2.09 H new ATOM 0 HG3 LYS A 23 -5.861 2.075 13.235 1.00 2.09 H new ATOM 0 HD2 LYS A 23 -5.759 4.285 14.294 1.00 3.34 H new ATOM 0 HD3 LYS A 23 -7.425 4.616 13.862 1.00 3.34 H new ATOM 0 HE2 LYS A 23 -8.240 3.439 15.648 1.00 4.20 H new ATOM 0 HE3 LYS A 23 -7.171 2.082 15.354 1.00 4.20 H new ATOM 0 HZ1 LYS A 23 -6.888 3.493 17.470 1.00 5.36 H new ATOM 0 HZ2 LYS A 23 -5.506 2.992 16.621 1.00 5.36 H new ATOM 0 HZ3 LYS A 23 -6.076 4.583 16.453 1.00 5.36 H new ATOM 361 N LEU A 24 -3.273 2.892 11.469 1.00 0.61 N ATOM 362 CA LEU A 24 -2.111 2.177 11.956 1.00 0.75 C ATOM 363 C LEU A 24 -0.926 3.095 12.250 1.00 0.94 C ATOM 364 O LEU A 24 -0.124 2.785 13.130 1.00 1.30 O ATOM 365 CB LEU A 24 -1.720 1.044 11.007 1.00 0.81 C ATOM 366 CG LEU A 24 -2.543 -0.244 11.186 1.00 0.87 C ATOM 367 CD1 LEU A 24 -1.791 -1.347 10.445 1.00 1.07 C ATOM 368 CD2 LEU A 24 -2.749 -0.714 12.632 1.00 1.10 C ATOM 0 H LEU A 24 -3.578 2.609 10.538 1.00 0.61 H new ATOM 0 HA LEU A 24 -2.397 1.736 12.911 1.00 0.75 H new ATOM 0 HB2 LEU A 24 -1.830 1.392 9.980 1.00 0.81 H new ATOM 0 HB3 LEU A 24 -0.665 0.811 11.153 1.00 0.81 H new ATOM 0 HG LEU A 24 -3.541 -0.030 10.805 1.00 0.87 H new ATOM 0 HD11 LEU A 24 -2.335 -2.286 10.541 1.00 1.07 H new ATOM 0 HD12 LEU A 24 -1.705 -1.084 9.391 1.00 1.07 H new ATOM 0 HD13 LEU A 24 -0.795 -1.459 10.873 1.00 1.07 H new ATOM 0 HD21 LEU A 24 -3.342 -1.629 12.636 1.00 1.10 H new ATOM 0 HD22 LEU A 24 -1.780 -0.907 13.093 1.00 1.10 H new ATOM 0 HD23 LEU A 24 -3.271 0.060 13.195 1.00 1.10 H new ATOM 380 N SER A 25 -0.812 4.228 11.562 1.00 0.80 N ATOM 381 CA SER A 25 0.163 5.249 11.923 1.00 0.95 C ATOM 382 C SER A 25 0.045 5.582 13.420 1.00 1.66 C ATOM 383 O SER A 25 1.046 5.761 14.118 1.00 2.25 O ATOM 384 CB SER A 25 -0.041 6.484 11.036 1.00 1.00 C ATOM 385 OG SER A 25 -0.043 6.125 9.663 1.00 1.53 O ATOM 0 H SER A 25 -1.384 4.461 10.750 1.00 0.80 H new ATOM 0 HA SER A 25 1.174 4.880 11.753 1.00 0.95 H new ATOM 0 HB2 SER A 25 -0.984 6.968 11.291 1.00 1.00 H new ATOM 0 HB3 SER A 25 0.751 7.208 11.226 1.00 1.00 H new ATOM 0 HG SER A 25 -0.828 5.570 9.471 1.00 1.53 H new ATOM 391 N ASN A 26 -1.189 5.623 13.915 1.00 1.75 N ATOM 392 CA ASN A 26 -1.542 5.915 15.297 1.00 2.27 C ATOM 393 C ASN A 26 -1.249 4.712 16.192 1.00 2.48 C ATOM 394 O ASN A 26 -0.839 4.892 17.338 1.00 2.91 O ATOM 395 CB ASN A 26 -3.015 6.339 15.406 1.00 2.48 C ATOM 396 CG ASN A 26 -3.381 7.433 14.411 1.00 2.44 C ATOM 397 OD1 ASN A 26 -2.533 8.201 13.963 1.00 2.72 O ATOM 398 ND2 ASN A 26 -4.642 7.506 14.010 1.00 2.71 N ATOM 0 H ASN A 26 -2.008 5.445 13.333 1.00 1.75 H new ATOM 0 HA ASN A 26 -0.928 6.748 15.639 1.00 2.27 H new ATOM 0 HB2 ASN A 26 -3.653 5.471 15.238 1.00 2.48 H new ATOM 0 HB3 ASN A 26 -3.215 6.691 16.418 1.00 2.48 H new ATOM 0 HD21 ASN A 26 -4.918 8.206 13.321 1.00 2.71 H new ATOM 0 HD22 ASN A 26 -5.336 6.862 14.390 1.00 2.71 H new ATOM 405 N GLU A 27 -1.379 3.482 15.684 1.00 2.36 N ATOM 406 CA GLU A 27 -1.091 2.291 16.480 1.00 2.76 C ATOM 407 C GLU A 27 0.425 2.149 16.665 1.00 2.69 C ATOM 408 O GLU A 27 0.856 1.634 17.691 1.00 3.19 O ATOM 409 CB GLU A 27 -1.600 1.008 15.797 1.00 3.02 C ATOM 410 CG GLU A 27 -2.921 0.403 16.302 1.00 3.04 C ATOM 411 CD GLU A 27 -4.199 1.012 15.762 1.00 2.45 C ATOM 412 OE1 GLU A 27 -4.272 2.250 15.653 1.00 2.46 O ATOM 413 OE2 GLU A 27 -5.145 0.220 15.527 1.00 3.30 O ATOM 0 H GLU A 27 -1.681 3.289 14.729 1.00 2.36 H new ATOM 0 HA GLU A 27 -1.599 2.413 17.437 1.00 2.76 H new ATOM 0 HB2 GLU A 27 -1.712 1.217 14.733 1.00 3.02 H new ATOM 0 HB3 GLU A 27 -0.825 0.247 15.893 1.00 3.02 H new ATOM 0 HG2 GLU A 27 -2.922 -0.660 16.061 1.00 3.04 H new ATOM 0 HG3 GLU A 27 -2.939 0.483 17.389 1.00 3.04 H new ATOM 420 N ARG A 28 1.237 2.546 15.685 1.00 2.20 N ATOM 421 CA ARG A 28 2.688 2.463 15.823 1.00 2.22 C ATOM 422 C ARG A 28 3.188 3.697 16.573 1.00 2.20 C ATOM 423 O ARG A 28 2.426 4.611 16.899 1.00 2.42 O ATOM 424 CB ARG A 28 3.362 2.376 14.443 1.00 1.94 C ATOM 425 CG ARG A 28 3.323 0.991 13.763 1.00 2.82 C ATOM 426 CD ARG A 28 2.019 0.178 13.816 1.00 1.93 C ATOM 427 NE ARG A 28 1.878 -0.574 15.077 1.00 1.93 N ATOM 428 CZ ARG A 28 1.116 -1.668 15.259 1.00 3.13 C ATOM 429 NH1 ARG A 28 0.380 -2.166 14.265 1.00 4.25 N ATOM 430 NH2 ARG A 28 1.074 -2.288 16.431 1.00 4.08 N ATOM 0 H ARG A 28 0.916 2.925 14.794 1.00 2.20 H new ATOM 0 HA ARG A 28 2.943 1.562 16.381 1.00 2.22 H new ATOM 0 HB2 ARG A 28 2.885 3.099 13.781 1.00 1.94 H new ATOM 0 HB3 ARG A 28 4.404 2.679 14.549 1.00 1.94 H new ATOM 0 HG2 ARG A 28 3.583 1.131 12.714 1.00 2.82 H new ATOM 0 HG3 ARG A 28 4.110 0.382 14.208 1.00 2.82 H new ATOM 0 HD2 ARG A 28 1.169 0.851 13.700 1.00 1.93 H new ATOM 0 HD3 ARG A 28 1.992 -0.517 12.977 1.00 1.93 H new ATOM 0 HE ARG A 28 2.405 -0.235 15.882 1.00 1.93 H new ATOM 0 HH11 ARG A 28 0.389 -1.717 13.349 1.00 4.25 H new ATOM 0 HH12 ARG A 28 -0.192 -2.996 14.420 1.00 4.25 H new ATOM 0 HH21 ARG A 28 1.625 -1.937 17.214 1.00 4.08 H new ATOM 0 HH22 ARG A 28 0.490 -3.116 16.549 1.00 4.08 H new ATOM 444 N ASP A 29 4.495 3.729 16.826 1.00 2.30 N ATOM 445 CA ASP A 29 5.146 4.841 17.496 1.00 2.50 C ATOM 446 C ASP A 29 5.001 6.065 16.607 1.00 1.12 C ATOM 447 O ASP A 29 4.331 7.039 16.950 1.00 2.26 O ATOM 448 CB ASP A 29 6.642 4.535 17.697 1.00 3.89 C ATOM 449 CG ASP A 29 6.947 3.567 18.812 1.00 5.33 C ATOM 450 OD1 ASP A 29 6.084 3.335 19.685 1.00 5.71 O ATOM 451 OD2 ASP A 29 8.075 3.037 18.821 1.00 6.69 O ATOM 0 H ASP A 29 5.132 2.976 16.568 1.00 2.30 H new ATOM 0 HA ASP A 29 4.690 5.010 18.472 1.00 2.50 H new ATOM 0 HB2 ASP A 29 7.044 4.134 16.767 1.00 3.89 H new ATOM 0 HB3 ASP A 29 7.166 5.470 17.894 1.00 3.89 H new ATOM 456 N ASP A 30 5.650 6.012 15.445 1.00 1.04 N ATOM 457 CA ASP A 30 5.721 7.126 14.512 1.00 2.62 C ATOM 458 C ASP A 30 5.997 6.649 13.095 1.00 2.11 C ATOM 459 O ASP A 30 6.725 7.301 12.358 1.00 2.30 O ATOM 460 CB ASP A 30 6.704 8.213 14.974 1.00 4.66 C ATOM 461 CG ASP A 30 8.162 7.859 14.808 1.00 5.20 C ATOM 462 OD1 ASP A 30 8.625 6.982 15.561 1.00 5.11 O ATOM 463 OD2 ASP A 30 8.868 8.546 14.034 1.00 6.39 O ATOM 0 H ASP A 30 6.147 5.181 15.124 1.00 1.04 H new ATOM 0 HA ASP A 30 4.739 7.599 14.499 1.00 2.62 H new ATOM 0 HB2 ASP A 30 6.501 9.128 14.417 1.00 4.66 H new ATOM 0 HB3 ASP A 30 6.515 8.431 16.025 1.00 4.66 H new ATOM 468 N PHE A 31 5.347 5.573 12.647 1.00 1.62 N ATOM 469 CA PHE A 31 5.433 5.226 11.248 1.00 1.30 C ATOM 470 C PHE A 31 4.375 6.107 10.599 1.00 1.26 C ATOM 471 O PHE A 31 3.266 6.227 11.118 1.00 1.38 O ATOM 472 CB PHE A 31 5.184 3.718 11.034 1.00 1.07 C ATOM 473 CG PHE A 31 4.100 3.371 10.029 1.00 1.01 C ATOM 474 CD1 PHE A 31 4.304 3.746 8.690 1.00 2.42 C ATOM 475 CD2 PHE A 31 2.810 2.994 10.451 1.00 1.50 C ATOM 476 CE1 PHE A 31 3.204 3.925 7.839 1.00 2.97 C ATOM 477 CE2 PHE A 31 1.737 3.017 9.542 1.00 1.77 C ATOM 478 CZ PHE A 31 1.924 3.523 8.246 1.00 2.19 C ATOM 0 H PHE A 31 4.776 4.952 13.220 1.00 1.62 H new ATOM 0 HA PHE A 31 6.418 5.396 10.814 1.00 1.30 H new ATOM 0 HB2 PHE A 31 6.117 3.256 10.710 1.00 1.07 H new ATOM 0 HB3 PHE A 31 4.923 3.271 11.993 1.00 1.07 H new ATOM 0 HD1 PHE A 31 5.306 3.896 8.317 1.00 2.42 H new ATOM 0 HD2 PHE A 31 2.645 2.687 11.473 1.00 1.50 H new ATOM 0 HE1 PHE A 31 3.343 4.374 6.867 1.00 2.97 H new ATOM 0 HE2 PHE A 31 0.768 2.645 9.841 1.00 1.77 H new ATOM 0 HZ PHE A 31 1.088 3.602 7.567 1.00 2.19 H new ATOM 488 N GLN A 32 4.783 6.821 9.556 1.00 1.31 N ATOM 489 CA GLN A 32 3.943 7.729 8.807 1.00 1.32 C ATOM 490 C GLN A 32 3.892 7.217 7.378 1.00 1.27 C ATOM 491 O GLN A 32 4.879 6.656 6.898 1.00 1.67 O ATOM 492 CB GLN A 32 4.553 9.130 8.835 1.00 1.63 C ATOM 493 CG GLN A 32 4.633 9.712 10.252 1.00 1.77 C ATOM 494 CD GLN A 32 4.815 11.220 10.160 1.00 2.84 C ATOM 495 OE1 GLN A 32 3.912 11.922 9.697 1.00 4.11 O ATOM 496 NE2 GLN A 32 5.968 11.747 10.534 1.00 3.41 N ATOM 0 H GLN A 32 5.739 6.778 9.203 1.00 1.31 H new ATOM 0 HA GLN A 32 2.942 7.780 9.235 1.00 1.32 H new ATOM 0 HB2 GLN A 32 5.554 9.095 8.404 1.00 1.63 H new ATOM 0 HB3 GLN A 32 3.958 9.793 8.207 1.00 1.63 H new ATOM 0 HG2 GLN A 32 3.725 9.476 10.808 1.00 1.77 H new ATOM 0 HG3 GLN A 32 5.465 9.265 10.796 1.00 1.77 H new ATOM 0 HE21 GLN A 32 6.702 11.150 10.914 1.00 3.41 H new ATOM 0 HE22 GLN A 32 6.124 12.751 10.442 1.00 3.41 H new ATOM 505 N TYR A 33 2.769 7.401 6.691 1.00 1.09 N ATOM 506 CA TYR A 33 2.638 6.961 5.313 1.00 0.99 C ATOM 507 C TYR A 33 2.961 8.105 4.356 1.00 0.87 C ATOM 508 O TYR A 33 2.984 9.273 4.754 1.00 0.98 O ATOM 509 CB TYR A 33 1.238 6.379 5.064 1.00 1.25 C ATOM 510 CG TYR A 33 0.079 7.340 4.851 1.00 1.27 C ATOM 511 CD1 TYR A 33 -0.763 7.697 5.922 1.00 1.88 C ATOM 512 CD2 TYR A 33 -0.332 7.617 3.532 1.00 2.52 C ATOM 513 CE1 TYR A 33 -2.010 8.302 5.670 1.00 1.88 C ATOM 514 CE2 TYR A 33 -1.595 8.174 3.281 1.00 2.51 C ATOM 515 CZ TYR A 33 -2.442 8.498 4.347 1.00 1.26 C ATOM 516 OH TYR A 33 -3.701 8.944 4.067 1.00 1.41 O ATOM 0 H TYR A 33 1.937 7.853 7.070 1.00 1.09 H new ATOM 0 HA TYR A 33 3.358 6.165 5.124 1.00 0.99 H new ATOM 0 HB2 TYR A 33 1.299 5.734 4.188 1.00 1.25 H new ATOM 0 HB3 TYR A 33 0.988 5.742 5.912 1.00 1.25 H new ATOM 0 HD1 TYR A 33 -0.452 7.507 6.939 1.00 1.88 H new ATOM 0 HD2 TYR A 33 0.331 7.399 2.708 1.00 2.52 H new ATOM 0 HE1 TYR A 33 -2.634 8.615 6.494 1.00 1.88 H new ATOM 0 HE2 TYR A 33 -1.914 8.353 2.265 1.00 2.51 H new ATOM 0 HH TYR A 33 -3.672 9.904 3.874 1.00 1.41 H new ATOM 526 N GLN A 34 3.216 7.774 3.092 1.00 0.83 N ATOM 527 CA GLN A 34 3.288 8.688 1.968 1.00 0.85 C ATOM 528 C GLN A 34 2.384 8.106 0.888 1.00 0.79 C ATOM 529 O GLN A 34 2.069 6.918 0.940 1.00 0.80 O ATOM 530 CB GLN A 34 4.731 8.750 1.469 1.00 0.89 C ATOM 531 CG GLN A 34 5.465 9.983 2.008 1.00 1.67 C ATOM 532 CD GLN A 34 5.236 11.217 1.146 1.00 1.98 C ATOM 533 OE1 GLN A 34 4.136 11.762 1.098 1.00 3.27 O ATOM 534 NE2 GLN A 34 6.275 11.684 0.470 1.00 2.54 N ATOM 0 H GLN A 34 3.386 6.807 2.816 1.00 0.83 H new ATOM 0 HA GLN A 34 2.975 9.697 2.238 1.00 0.85 H new ATOM 0 HB2 GLN A 34 5.261 7.848 1.775 1.00 0.89 H new ATOM 0 HB3 GLN A 34 4.739 8.769 0.379 1.00 0.89 H new ATOM 0 HG2 GLN A 34 5.130 10.186 3.025 1.00 1.67 H new ATOM 0 HG3 GLN A 34 6.533 9.773 2.060 1.00 1.67 H new ATOM 0 HE21 GLN A 34 7.176 11.210 0.529 1.00 2.54 H new ATOM 0 HE22 GLN A 34 6.174 12.517 -0.110 1.00 2.54 H new ATOM 543 N TYR A 35 1.953 8.915 -0.076 1.00 1.11 N ATOM 544 CA TYR A 35 0.967 8.478 -1.046 1.00 0.94 C ATOM 545 C TYR A 35 1.283 9.029 -2.433 1.00 1.03 C ATOM 546 O TYR A 35 1.799 10.141 -2.568 1.00 1.23 O ATOM 547 CB TYR A 35 -0.422 8.851 -0.533 1.00 0.85 C ATOM 548 CG TYR A 35 -1.551 8.253 -1.336 1.00 0.75 C ATOM 549 CD1 TYR A 35 -1.981 8.926 -2.495 1.00 2.08 C ATOM 550 CD2 TYR A 35 -2.326 7.209 -0.812 1.00 1.76 C ATOM 551 CE1 TYR A 35 -3.182 8.552 -3.111 1.00 1.95 C ATOM 552 CE2 TYR A 35 -3.416 6.717 -1.541 1.00 1.98 C ATOM 553 CZ TYR A 35 -3.859 7.414 -2.667 1.00 0.98 C ATOM 554 OH TYR A 35 -5.083 7.122 -3.156 1.00 1.43 O ATOM 0 H TYR A 35 2.274 9.875 -0.202 1.00 1.11 H new ATOM 0 HA TYR A 35 0.994 7.394 -1.160 1.00 0.94 H new ATOM 0 HB2 TYR A 35 -0.515 8.527 0.504 1.00 0.85 H new ATOM 0 HB3 TYR A 35 -0.521 9.936 -0.538 1.00 0.85 H new ATOM 0 HD1 TYR A 35 -1.387 9.728 -2.908 1.00 2.08 H new ATOM 0 HD2 TYR A 35 -2.083 6.785 0.151 1.00 1.76 H new ATOM 0 HE1 TYR A 35 -3.582 9.140 -3.924 1.00 1.95 H new ATOM 0 HE2 TYR A 35 -3.910 5.806 -1.235 1.00 1.98 H new ATOM 0 HH TYR A 35 -5.108 6.183 -3.437 1.00 1.43 H new ATOM 564 N VAL A 36 1.016 8.216 -3.446 1.00 1.06 N ATOM 565 CA VAL A 36 1.515 8.280 -4.804 1.00 1.20 C ATOM 566 C VAL A 36 0.400 7.734 -5.706 1.00 1.21 C ATOM 567 O VAL A 36 -0.556 7.121 -5.222 1.00 1.26 O ATOM 568 CB VAL A 36 2.819 7.450 -4.867 1.00 1.08 C ATOM 569 CG1 VAL A 36 3.421 7.414 -6.277 1.00 1.21 C ATOM 570 CG2 VAL A 36 3.879 8.021 -3.910 1.00 1.16 C ATOM 0 H VAL A 36 0.386 7.424 -3.321 1.00 1.06 H new ATOM 0 HA VAL A 36 1.761 9.288 -5.137 1.00 1.20 H new ATOM 0 HB VAL A 36 2.545 6.437 -4.573 1.00 1.08 H new ATOM 0 HG11 VAL A 36 4.334 6.819 -6.268 1.00 1.21 H new ATOM 0 HG12 VAL A 36 2.705 6.968 -6.967 1.00 1.21 H new ATOM 0 HG13 VAL A 36 3.652 8.429 -6.600 1.00 1.21 H new ATOM 0 HG21 VAL A 36 4.787 7.421 -3.972 1.00 1.16 H new ATOM 0 HG22 VAL A 36 4.105 9.050 -4.189 1.00 1.16 H new ATOM 0 HG23 VAL A 36 3.498 7.998 -2.889 1.00 1.16 H new ATOM 580 N ASP A 37 0.492 7.968 -7.016 1.00 1.95 N ATOM 581 CA ASP A 37 -0.460 7.457 -7.992 1.00 2.16 C ATOM 582 C ASP A 37 0.226 7.213 -9.318 1.00 2.09 C ATOM 583 O ASP A 37 1.166 7.913 -9.697 1.00 2.07 O ATOM 584 CB ASP A 37 -1.632 8.416 -8.157 1.00 2.46 C ATOM 585 CG ASP A 37 -2.521 8.135 -9.363 1.00 4.18 C ATOM 586 OD1 ASP A 37 -2.854 6.950 -9.588 1.00 5.67 O ATOM 587 OD2 ASP A 37 -2.897 9.116 -10.038 1.00 4.66 O ATOM 0 H ASP A 37 1.240 8.525 -7.430 1.00 1.95 H new ATOM 0 HA ASP A 37 -0.852 6.507 -7.627 1.00 2.16 H new ATOM 0 HB2 ASP A 37 -2.244 8.379 -7.256 1.00 2.46 H new ATOM 0 HB3 ASP A 37 -1.244 9.431 -8.238 1.00 2.46 H new ATOM 592 N ILE A 38 -0.258 6.187 -9.998 1.00 2.15 N ATOM 593 CA ILE A 38 0.237 5.756 -11.273 1.00 2.16 C ATOM 594 C ILE A 38 -0.127 6.793 -12.319 1.00 2.04 C ATOM 595 O ILE A 38 0.761 7.326 -12.981 1.00 1.65 O ATOM 596 CB ILE A 38 -0.296 4.342 -11.569 1.00 2.30 C ATOM 597 CG1 ILE A 38 -1.830 4.191 -11.579 1.00 2.35 C ATOM 598 CG2 ILE A 38 0.302 3.361 -10.557 1.00 2.44 C ATOM 599 CD1 ILE A 38 -2.355 4.120 -13.013 1.00 2.67 C ATOM 0 H ILE A 38 -1.033 5.619 -9.656 1.00 2.15 H new ATOM 0 HA ILE A 38 1.324 5.679 -11.282 1.00 2.16 H new ATOM 0 HB ILE A 38 0.016 4.125 -12.591 1.00 2.30 H new ATOM 0 HG12 ILE A 38 -2.116 3.290 -11.037 1.00 2.35 H new ATOM 0 HG13 ILE A 38 -2.287 5.034 -11.060 1.00 2.35 H new ATOM 0 HG21 ILE A 38 -0.071 2.357 -10.760 1.00 2.44 H new ATOM 0 HG22 ILE A 38 1.389 3.369 -10.641 1.00 2.44 H new ATOM 0 HG23 ILE A 38 0.014 3.658 -9.549 1.00 2.44 H new ATOM 0 HD11 ILE A 38 -3.440 4.013 -12.998 1.00 2.67 H new ATOM 0 HD12 ILE A 38 -2.087 5.033 -13.544 1.00 2.67 H new ATOM 0 HD13 ILE A 38 -1.913 3.262 -13.520 1.00 2.67 H new ATOM 611 N ARG A 39 -1.401 7.176 -12.403 1.00 2.38 N ATOM 612 CA ARG A 39 -1.841 8.182 -13.355 1.00 2.36 C ATOM 613 C ARG A 39 -1.639 9.575 -12.753 1.00 2.17 C ATOM 614 O ARG A 39 -2.514 10.438 -12.829 1.00 2.56 O ATOM 615 CB ARG A 39 -3.271 7.894 -13.846 1.00 3.08 C ATOM 616 CG ARG A 39 -4.259 7.569 -12.722 1.00 3.39 C ATOM 617 CD ARG A 39 -5.703 7.665 -13.212 1.00 3.98 C ATOM 618 NE ARG A 39 -6.018 6.693 -14.274 1.00 5.27 N ATOM 619 CZ ARG A 39 -6.907 6.883 -15.260 1.00 6.70 C ATOM 620 NH1 ARG A 39 -7.301 8.114 -15.583 1.00 7.18 N ATOM 621 NH2 ARG A 39 -7.377 5.825 -15.918 1.00 8.00 N ATOM 0 H ARG A 39 -2.146 6.799 -11.817 1.00 2.38 H new ATOM 0 HA ARG A 39 -1.230 8.144 -14.257 1.00 2.36 H new ATOM 0 HB2 ARG A 39 -3.636 8.760 -14.399 1.00 3.08 H new ATOM 0 HB3 ARG A 39 -3.243 7.058 -14.545 1.00 3.08 H new ATOM 0 HG2 ARG A 39 -4.066 6.565 -12.344 1.00 3.39 H new ATOM 0 HG3 ARG A 39 -4.108 8.257 -11.891 1.00 3.39 H new ATOM 0 HD2 ARG A 39 -6.377 7.506 -12.371 1.00 3.98 H new ATOM 0 HD3 ARG A 39 -5.888 8.673 -13.583 1.00 3.98 H new ATOM 0 HE ARG A 39 -5.519 5.803 -14.258 1.00 5.27 H new ATOM 0 HH11 ARG A 39 -6.926 8.918 -15.079 1.00 7.18 H new ATOM 0 HH12 ARG A 39 -7.977 8.252 -16.334 1.00 7.18 H new ATOM 0 HH21 ARG A 39 -7.060 4.888 -15.669 1.00 8.00 H new ATOM 0 HH22 ARG A 39 -8.054 5.952 -16.671 1.00 8.00 H new ATOM 635 N ALA A 40 -0.462 9.790 -12.170 1.00 2.18 N ATOM 636 CA ALA A 40 0.045 11.064 -11.709 1.00 2.11 C ATOM 637 C ALA A 40 1.549 11.038 -11.923 1.00 1.73 C ATOM 638 O ALA A 40 2.077 11.819 -12.709 1.00 1.80 O ATOM 639 CB ALA A 40 -0.286 11.278 -10.233 1.00 2.42 C ATOM 0 H ALA A 40 0.196 9.029 -12.000 1.00 2.18 H new ATOM 0 HA ALA A 40 -0.414 11.886 -12.259 1.00 2.11 H new ATOM 0 HB1 ALA A 40 0.105 12.242 -9.909 1.00 2.42 H new ATOM 0 HB2 ALA A 40 -1.367 11.260 -10.096 1.00 2.42 H new ATOM 0 HB3 ALA A 40 0.168 10.484 -9.640 1.00 2.42 H new ATOM 645 N GLU A 41 2.250 10.110 -11.265 1.00 1.44 N ATOM 646 CA GLU A 41 3.693 10.045 -11.418 1.00 1.35 C ATOM 647 C GLU A 41 4.048 9.439 -12.784 1.00 1.34 C ATOM 648 O GLU A 41 5.163 9.613 -13.265 1.00 1.82 O ATOM 649 CB GLU A 41 4.319 9.332 -10.207 1.00 1.30 C ATOM 650 CG GLU A 41 5.850 9.357 -10.311 1.00 1.84 C ATOM 651 CD GLU A 41 6.579 8.892 -9.077 1.00 2.32 C ATOM 652 OE1 GLU A 41 5.952 8.340 -8.153 1.00 3.03 O ATOM 653 OE2 GLU A 41 7.807 9.125 -9.043 1.00 3.07 O ATOM 0 H GLU A 41 1.848 9.413 -10.638 1.00 1.44 H new ATOM 0 HA GLU A 41 4.129 11.044 -11.422 1.00 1.35 H new ATOM 0 HB2 GLU A 41 4.002 9.819 -9.285 1.00 1.30 H new ATOM 0 HB3 GLU A 41 3.967 8.301 -10.160 1.00 1.30 H new ATOM 0 HG2 GLU A 41 6.152 8.732 -11.151 1.00 1.84 H new ATOM 0 HG3 GLU A 41 6.167 10.374 -10.541 1.00 1.84 H new ATOM 660 N GLY A 42 3.108 8.750 -13.432 1.00 1.10 N ATOM 661 CA GLY A 42 3.375 8.052 -14.675 1.00 1.28 C ATOM 662 C GLY A 42 4.194 6.802 -14.382 1.00 1.39 C ATOM 663 O GLY A 42 5.047 6.404 -15.176 1.00 1.80 O ATOM 0 H GLY A 42 2.145 8.664 -13.105 1.00 1.10 H new ATOM 0 HA2 GLY A 42 2.438 7.781 -15.162 1.00 1.28 H new ATOM 0 HA3 GLY A 42 3.916 8.703 -15.362 1.00 1.28 H new ATOM 667 N ILE A 43 3.906 6.151 -13.259 1.00 1.31 N ATOM 668 CA ILE A 43 4.431 4.837 -12.940 1.00 1.44 C ATOM 669 C ILE A 43 3.508 3.845 -13.636 1.00 1.67 C ATOM 670 O ILE A 43 2.295 3.904 -13.444 1.00 1.74 O ATOM 671 CB ILE A 43 4.440 4.655 -11.413 1.00 1.16 C ATOM 672 CG1 ILE A 43 5.426 5.613 -10.724 1.00 1.42 C ATOM 673 CG2 ILE A 43 4.728 3.208 -11.007 1.00 1.50 C ATOM 674 CD1 ILE A 43 6.870 5.548 -11.230 1.00 1.83 C ATOM 0 H ILE A 43 3.292 6.531 -12.538 1.00 1.31 H new ATOM 0 HA ILE A 43 5.457 4.692 -13.277 1.00 1.44 H new ATOM 0 HB ILE A 43 3.435 4.904 -11.072 1.00 1.16 H new ATOM 0 HG12 ILE A 43 5.061 6.633 -10.848 1.00 1.42 H new ATOM 0 HG13 ILE A 43 5.424 5.401 -9.655 1.00 1.42 H new ATOM 0 HG21 ILE A 43 4.724 3.128 -9.920 1.00 1.50 H new ATOM 0 HG22 ILE A 43 3.961 2.554 -11.422 1.00 1.50 H new ATOM 0 HG23 ILE A 43 5.704 2.910 -11.390 1.00 1.50 H new ATOM 0 HD11 ILE A 43 7.481 6.262 -10.679 1.00 1.83 H new ATOM 0 HD12 ILE A 43 7.263 4.542 -11.080 1.00 1.83 H new ATOM 0 HD13 ILE A 43 6.895 5.793 -12.292 1.00 1.83 H new ATOM 686 N THR A 44 4.049 2.965 -14.470 1.00 1.90 N ATOM 687 CA THR A 44 3.248 1.968 -15.147 1.00 2.14 C ATOM 688 C THR A 44 2.851 0.883 -14.143 1.00 1.93 C ATOM 689 O THR A 44 3.542 0.650 -13.150 1.00 1.82 O ATOM 690 CB THR A 44 4.067 1.406 -16.317 1.00 2.58 C ATOM 691 OG1 THR A 44 5.380 1.112 -15.869 1.00 2.72 O ATOM 692 CG2 THR A 44 4.162 2.454 -17.428 1.00 2.65 C ATOM 0 H THR A 44 5.044 2.927 -14.690 1.00 1.90 H new ATOM 0 HA THR A 44 2.329 2.396 -15.548 1.00 2.14 H new ATOM 0 HB THR A 44 3.582 0.505 -16.693 1.00 2.58 H new ATOM 0 HG1 THR A 44 5.906 0.751 -16.613 1.00 2.72 H new ATOM 0 HG21 THR A 44 4.744 2.053 -18.258 1.00 2.65 H new ATOM 0 HG22 THR A 44 3.161 2.707 -17.776 1.00 2.65 H new ATOM 0 HG23 THR A 44 4.649 3.350 -17.043 1.00 2.65 H new ATOM 700 N LYS A 45 1.755 0.171 -14.408 1.00 1.94 N ATOM 701 CA LYS A 45 1.477 -1.058 -13.715 1.00 1.93 C ATOM 702 C LYS A 45 2.667 -2.000 -13.892 1.00 1.97 C ATOM 703 O LYS A 45 3.121 -2.576 -12.915 1.00 1.96 O ATOM 704 CB LYS A 45 0.216 -1.653 -14.334 1.00 2.12 C ATOM 705 CG LYS A 45 -1.080 -1.244 -13.624 1.00 1.89 C ATOM 706 CD LYS A 45 -2.151 -2.289 -13.962 1.00 1.98 C ATOM 707 CE LYS A 45 -3.431 -2.148 -13.130 1.00 2.50 C ATOM 708 NZ LYS A 45 -4.290 -1.036 -13.567 1.00 3.43 N ATOM 0 H LYS A 45 1.054 0.436 -15.100 1.00 1.94 H new ATOM 0 HA LYS A 45 1.322 -0.897 -12.648 1.00 1.93 H new ATOM 0 HB2 LYS A 45 0.158 -1.348 -15.379 1.00 2.12 H new ATOM 0 HB3 LYS A 45 0.297 -2.740 -14.323 1.00 2.12 H new ATOM 0 HG2 LYS A 45 -0.925 -1.191 -12.546 1.00 1.89 H new ATOM 0 HG3 LYS A 45 -1.397 -0.253 -13.949 1.00 1.89 H new ATOM 0 HD2 LYS A 45 -2.404 -2.209 -15.019 1.00 1.98 H new ATOM 0 HD3 LYS A 45 -1.736 -3.285 -13.809 1.00 1.98 H new ATOM 0 HE2 LYS A 45 -3.996 -3.078 -13.186 1.00 2.50 H new ATOM 0 HE3 LYS A 45 -3.162 -2.001 -12.084 1.00 2.50 H new ATOM 0 HZ1 LYS A 45 -5.137 -0.995 -12.965 1.00 3.43 H new ATOM 0 HZ2 LYS A 45 -3.766 -0.141 -13.489 1.00 3.43 H new ATOM 0 HZ3 LYS A 45 -4.575 -1.185 -14.556 1.00 3.43 H new ATOM 722 N GLU A 46 3.193 -2.139 -15.113 1.00 2.11 N ATOM 723 CA GLU A 46 4.354 -2.938 -15.388 1.00 2.19 C ATOM 724 C GLU A 46 5.506 -2.647 -14.426 1.00 2.08 C ATOM 725 O GLU A 46 6.089 -3.594 -13.899 1.00 2.05 O ATOM 726 CB GLU A 46 4.747 -2.734 -16.847 1.00 2.44 C ATOM 727 CG GLU A 46 3.629 -2.806 -17.901 1.00 1.68 C ATOM 728 CD GLU A 46 3.962 -1.886 -19.049 1.00 2.06 C ATOM 729 OE1 GLU A 46 3.835 -0.662 -18.844 1.00 3.17 O ATOM 730 OE2 GLU A 46 4.364 -2.348 -20.132 1.00 2.50 O ATOM 0 H GLU A 46 2.805 -1.685 -15.940 1.00 2.11 H new ATOM 0 HA GLU A 46 4.112 -3.988 -15.226 1.00 2.19 H new ATOM 0 HB2 GLU A 46 5.228 -1.759 -16.933 1.00 2.44 H new ATOM 0 HB3 GLU A 46 5.497 -3.483 -17.101 1.00 2.44 H new ATOM 0 HG2 GLU A 46 3.519 -3.829 -18.261 1.00 1.68 H new ATOM 0 HG3 GLU A 46 2.676 -2.520 -17.456 1.00 1.68 H new ATOM 737 N ASP A 47 5.822 -1.366 -14.196 1.00 2.07 N ATOM 738 CA ASP A 47 6.867 -0.980 -13.253 1.00 2.04 C ATOM 739 C ASP A 47 6.543 -1.584 -11.898 1.00 1.81 C ATOM 740 O ASP A 47 7.330 -2.326 -11.318 1.00 1.78 O ATOM 741 CB ASP A 47 6.930 0.540 -13.061 1.00 2.15 C ATOM 742 CG ASP A 47 7.969 0.874 -12.012 1.00 2.25 C ATOM 743 OD1 ASP A 47 9.164 0.764 -12.359 1.00 2.76 O ATOM 744 OD2 ASP A 47 7.619 1.258 -10.879 1.00 2.58 O ATOM 0 H ASP A 47 5.363 -0.579 -14.655 1.00 2.07 H new ATOM 0 HA ASP A 47 7.819 -1.333 -13.651 1.00 2.04 H new ATOM 0 HB2 ASP A 47 7.180 1.026 -14.004 1.00 2.15 H new ATOM 0 HB3 ASP A 47 5.955 0.919 -12.756 1.00 2.15 H new ATOM 749 N LEU A 48 5.355 -1.248 -11.411 1.00 1.69 N ATOM 750 CA LEU A 48 4.866 -1.657 -10.112 1.00 1.51 C ATOM 751 C LEU A 48 4.928 -3.172 -9.944 1.00 1.31 C ATOM 752 O LEU A 48 5.366 -3.650 -8.904 1.00 1.24 O ATOM 753 CB LEU A 48 3.454 -1.090 -9.916 1.00 1.49 C ATOM 754 CG LEU A 48 3.512 0.259 -9.186 1.00 1.77 C ATOM 755 CD1 LEU A 48 2.180 0.986 -9.368 1.00 1.88 C ATOM 756 CD2 LEU A 48 3.805 0.118 -7.686 1.00 1.75 C ATOM 0 H LEU A 48 4.692 -0.669 -11.926 1.00 1.69 H new ATOM 0 HA LEU A 48 5.508 -1.253 -9.330 1.00 1.51 H new ATOM 0 HB2 LEU A 48 2.968 -0.966 -10.884 1.00 1.49 H new ATOM 0 HB3 LEU A 48 2.849 -1.794 -9.344 1.00 1.49 H new ATOM 0 HG LEU A 48 4.334 0.825 -9.624 1.00 1.77 H new ATOM 0 HD11 LEU A 48 2.215 1.945 -8.851 1.00 1.88 H new ATOM 0 HD12 LEU A 48 1.998 1.152 -10.430 1.00 1.88 H new ATOM 0 HD13 LEU A 48 1.375 0.380 -8.953 1.00 1.88 H new ATOM 0 HD21 LEU A 48 3.833 1.106 -7.226 1.00 1.75 H new ATOM 0 HD22 LEU A 48 3.022 -0.478 -7.217 1.00 1.75 H new ATOM 0 HD23 LEU A 48 4.768 -0.374 -7.548 1.00 1.75 H new ATOM 768 N GLN A 49 4.522 -3.938 -10.951 1.00 1.30 N ATOM 769 CA GLN A 49 4.508 -5.381 -10.946 1.00 1.08 C ATOM 770 C GLN A 49 5.946 -5.911 -10.967 1.00 1.15 C ATOM 771 O GLN A 49 6.255 -6.893 -10.289 1.00 1.09 O ATOM 772 CB GLN A 49 3.558 -5.830 -12.084 1.00 1.02 C ATOM 773 CG GLN A 49 4.116 -6.789 -13.123 1.00 0.97 C ATOM 774 CD GLN A 49 3.395 -6.699 -14.468 1.00 1.34 C ATOM 775 OE1 GLN A 49 4.043 -6.690 -15.511 1.00 1.94 O ATOM 776 NE2 GLN A 49 2.076 -6.608 -14.502 1.00 1.46 N ATOM 0 H GLN A 49 4.180 -3.544 -11.828 1.00 1.30 H new ATOM 0 HA GLN A 49 4.103 -5.822 -10.035 1.00 1.08 H new ATOM 0 HB2 GLN A 49 2.685 -6.297 -11.629 1.00 1.02 H new ATOM 0 HB3 GLN A 49 3.208 -4.937 -12.603 1.00 1.02 H new ATOM 0 HG2 GLN A 49 5.176 -6.580 -13.270 1.00 0.97 H new ATOM 0 HG3 GLN A 49 4.042 -7.809 -12.745 1.00 0.97 H new ATOM 0 HE21 GLN A 49 1.542 -6.616 -13.633 1.00 1.46 H new ATOM 0 HE22 GLN A 49 1.593 -6.530 -15.397 1.00 1.46 H new ATOM 785 N GLN A 50 6.844 -5.268 -11.719 1.00 1.35 N ATOM 786 CA GLN A 50 8.252 -5.638 -11.761 1.00 1.49 C ATOM 787 C GLN A 50 8.862 -5.455 -10.370 1.00 1.61 C ATOM 788 O GLN A 50 9.535 -6.343 -9.847 1.00 1.67 O ATOM 789 CB GLN A 50 8.998 -4.778 -12.795 1.00 1.75 C ATOM 790 CG GLN A 50 10.214 -5.494 -13.389 1.00 2.20 C ATOM 791 CD GLN A 50 11.190 -4.496 -14.005 1.00 3.18 C ATOM 792 OE1 GLN A 50 11.044 -4.103 -15.161 1.00 3.44 O ATOM 793 NE2 GLN A 50 12.193 -4.075 -13.249 1.00 4.72 N ATOM 0 H GLN A 50 6.609 -4.475 -12.316 1.00 1.35 H new ATOM 0 HA GLN A 50 8.345 -6.682 -12.059 1.00 1.49 H new ATOM 0 HB2 GLN A 50 8.313 -4.506 -13.598 1.00 1.75 H new ATOM 0 HB3 GLN A 50 9.322 -3.850 -12.324 1.00 1.75 H new ATOM 0 HG2 GLN A 50 10.718 -6.068 -12.611 1.00 2.20 H new ATOM 0 HG3 GLN A 50 9.887 -6.204 -14.148 1.00 2.20 H new ATOM 0 HE21 GLN A 50 12.290 -4.418 -12.293 1.00 4.72 H new ATOM 0 HE22 GLN A 50 12.868 -3.408 -13.623 1.00 4.72 H new ATOM 802 N LYS A 51 8.639 -4.285 -9.777 1.00 1.70 N ATOM 803 CA LYS A 51 9.164 -3.901 -8.481 1.00 1.86 C ATOM 804 C LYS A 51 8.602 -4.845 -7.422 1.00 1.72 C ATOM 805 O LYS A 51 9.334 -5.472 -6.662 1.00 1.95 O ATOM 806 CB LYS A 51 8.763 -2.444 -8.197 1.00 1.95 C ATOM 807 CG LYS A 51 9.785 -1.751 -7.293 1.00 2.57 C ATOM 808 CD LYS A 51 9.179 -0.563 -6.543 1.00 2.48 C ATOM 809 CE LYS A 51 8.527 0.450 -7.493 1.00 1.57 C ATOM 810 NZ LYS A 51 8.140 1.684 -6.787 1.00 2.32 N ATOM 0 H LYS A 51 8.067 -3.557 -10.205 1.00 1.70 H new ATOM 0 HA LYS A 51 10.252 -3.971 -8.464 1.00 1.86 H new ATOM 0 HB2 LYS A 51 8.677 -1.899 -9.137 1.00 1.95 H new ATOM 0 HB3 LYS A 51 7.781 -2.421 -7.724 1.00 1.95 H new ATOM 0 HG2 LYS A 51 10.179 -2.470 -6.574 1.00 2.57 H new ATOM 0 HG3 LYS A 51 10.627 -1.408 -7.895 1.00 2.57 H new ATOM 0 HD2 LYS A 51 8.435 -0.925 -5.834 1.00 2.48 H new ATOM 0 HD3 LYS A 51 9.957 -0.066 -5.963 1.00 2.48 H new ATOM 0 HE2 LYS A 51 9.220 0.693 -8.298 1.00 1.57 H new ATOM 0 HE3 LYS A 51 7.647 0.003 -7.954 1.00 1.57 H new ATOM 0 HZ1 LYS A 51 7.703 2.346 -7.459 1.00 2.32 H new ATOM 0 HZ2 LYS A 51 7.460 1.455 -6.035 1.00 2.32 H new ATOM 0 HZ3 LYS A 51 8.984 2.124 -6.368 1.00 2.32 H new ATOM 824 N ALA A 52 7.277 -4.956 -7.400 1.00 1.41 N ATOM 825 CA ALA A 52 6.548 -5.808 -6.483 1.00 1.26 C ATOM 826 C ALA A 52 7.015 -7.251 -6.605 1.00 1.37 C ATOM 827 O ALA A 52 7.061 -7.980 -5.614 1.00 1.65 O ATOM 828 CB ALA A 52 5.042 -5.734 -6.753 1.00 0.98 C ATOM 0 H ALA A 52 6.671 -4.440 -8.038 1.00 1.41 H new ATOM 0 HA ALA A 52 6.745 -5.453 -5.471 1.00 1.26 H new ATOM 0 HB1 ALA A 52 4.515 -6.382 -6.053 1.00 0.98 H new ATOM 0 HB2 ALA A 52 4.700 -4.707 -6.626 1.00 0.98 H new ATOM 0 HB3 ALA A 52 4.839 -6.061 -7.773 1.00 0.98 H new ATOM 834 N GLY A 53 7.306 -7.668 -7.834 1.00 1.28 N ATOM 835 CA GLY A 53 7.625 -9.039 -8.163 1.00 1.41 C ATOM 836 C GLY A 53 6.358 -9.887 -8.216 1.00 1.31 C ATOM 837 O GLY A 53 6.453 -11.110 -8.149 1.00 1.63 O ATOM 0 H GLY A 53 7.325 -7.043 -8.640 1.00 1.28 H new ATOM 0 HA2 GLY A 53 8.136 -9.078 -9.125 1.00 1.41 H new ATOM 0 HA3 GLY A 53 8.311 -9.447 -7.421 1.00 1.41 H new ATOM 841 N LYS A 54 5.186 -9.261 -8.357 1.00 1.14 N ATOM 842 CA LYS A 54 3.884 -9.917 -8.397 1.00 1.24 C ATOM 843 C LYS A 54 3.051 -9.258 -9.501 1.00 1.02 C ATOM 844 O LYS A 54 3.342 -8.113 -9.848 1.00 0.67 O ATOM 845 CB LYS A 54 3.188 -9.770 -7.033 1.00 1.39 C ATOM 846 CG LYS A 54 4.015 -10.367 -5.885 1.00 1.75 C ATOM 847 CD LYS A 54 3.113 -10.867 -4.746 1.00 1.75 C ATOM 848 CE LYS A 54 2.621 -12.301 -5.009 1.00 2.46 C ATOM 849 NZ LYS A 54 3.639 -13.331 -4.705 1.00 3.38 N ATOM 0 H LYS A 54 5.120 -8.247 -8.449 1.00 1.14 H new ATOM 0 HA LYS A 54 3.997 -10.980 -8.608 1.00 1.24 H new ATOM 0 HB2 LYS A 54 3.005 -8.714 -6.834 1.00 1.39 H new ATOM 0 HB3 LYS A 54 2.216 -10.261 -7.070 1.00 1.39 H new ATOM 0 HG2 LYS A 54 4.620 -11.192 -6.261 1.00 1.75 H new ATOM 0 HG3 LYS A 54 4.705 -9.615 -5.502 1.00 1.75 H new ATOM 0 HD2 LYS A 54 3.662 -10.836 -3.805 1.00 1.75 H new ATOM 0 HD3 LYS A 54 2.257 -10.201 -4.638 1.00 1.75 H new ATOM 0 HE2 LYS A 54 1.732 -12.489 -4.407 1.00 2.46 H new ATOM 0 HE3 LYS A 54 2.324 -12.390 -6.054 1.00 2.46 H new ATOM 0 HZ1 LYS A 54 3.248 -14.274 -4.902 1.00 3.38 H new ATOM 0 HZ2 LYS A 54 4.479 -13.174 -5.297 1.00 3.38 H new ATOM 0 HZ3 LYS A 54 3.906 -13.270 -3.702 1.00 3.38 H new ATOM 863 N PRO A 55 2.022 -9.929 -10.039 1.00 1.40 N ATOM 864 CA PRO A 55 1.074 -9.302 -10.940 1.00 1.46 C ATOM 865 C PRO A 55 0.168 -8.389 -10.110 1.00 1.58 C ATOM 866 O PRO A 55 -0.755 -8.859 -9.441 1.00 2.14 O ATOM 867 CB PRO A 55 0.313 -10.456 -11.595 1.00 2.03 C ATOM 868 CG PRO A 55 0.368 -11.573 -10.550 1.00 2.32 C ATOM 869 CD PRO A 55 1.688 -11.328 -9.819 1.00 1.96 C ATOM 0 HA PRO A 55 1.531 -8.683 -11.712 1.00 1.46 H new ATOM 0 HB2 PRO A 55 -0.715 -10.176 -11.827 1.00 2.03 H new ATOM 0 HB3 PRO A 55 0.779 -10.762 -12.532 1.00 2.03 H new ATOM 0 HG2 PRO A 55 -0.481 -11.524 -9.868 1.00 2.32 H new ATOM 0 HG3 PRO A 55 0.346 -12.558 -11.016 1.00 2.32 H new ATOM 0 HD2 PRO A 55 1.589 -11.541 -8.755 1.00 1.96 H new ATOM 0 HD3 PRO A 55 2.472 -11.980 -10.203 1.00 1.96 H new ATOM 877 N VAL A 56 0.465 -7.092 -10.097 1.00 1.43 N ATOM 878 CA VAL A 56 -0.250 -6.082 -9.359 1.00 1.82 C ATOM 879 C VAL A 56 -1.173 -5.242 -10.239 1.00 1.88 C ATOM 880 O VAL A 56 -0.858 -4.145 -10.700 1.00 2.40 O ATOM 881 CB VAL A 56 0.627 -5.344 -8.393 1.00 1.96 C ATOM 882 CG1 VAL A 56 1.374 -6.278 -7.436 1.00 1.21 C ATOM 883 CG2 VAL A 56 1.626 -4.516 -9.136 1.00 3.56 C ATOM 0 H VAL A 56 1.248 -6.710 -10.628 1.00 1.43 H new ATOM 0 HA VAL A 56 -0.957 -6.588 -8.701 1.00 1.82 H new ATOM 0 HB VAL A 56 -0.031 -4.712 -7.797 1.00 1.96 H new ATOM 0 HG11 VAL A 56 1.993 -5.688 -6.760 1.00 1.21 H new ATOM 0 HG12 VAL A 56 0.654 -6.857 -6.857 1.00 1.21 H new ATOM 0 HG13 VAL A 56 2.007 -6.956 -8.009 1.00 1.21 H new ATOM 0 HG21 VAL A 56 2.258 -3.984 -8.425 1.00 3.56 H new ATOM 0 HG22 VAL A 56 2.244 -5.163 -9.758 1.00 3.56 H new ATOM 0 HG23 VAL A 56 1.105 -3.796 -9.767 1.00 3.56 H new ATOM 893 N GLU A 57 -2.375 -5.763 -10.418 1.00 1.50 N ATOM 894 CA GLU A 57 -3.332 -5.288 -11.404 1.00 1.42 C ATOM 895 C GLU A 57 -4.505 -4.609 -10.685 1.00 1.30 C ATOM 896 O GLU A 57 -5.652 -4.697 -11.116 1.00 1.30 O ATOM 897 CB GLU A 57 -3.758 -6.485 -12.270 1.00 1.58 C ATOM 898 CG GLU A 57 -4.343 -6.119 -13.644 1.00 2.03 C ATOM 899 CD GLU A 57 -3.369 -5.404 -14.564 1.00 3.05 C ATOM 900 OE1 GLU A 57 -2.156 -5.675 -14.459 1.00 4.07 O ATOM 901 OE2 GLU A 57 -3.837 -4.546 -15.343 1.00 3.78 O ATOM 0 H GLU A 57 -2.722 -6.549 -9.867 1.00 1.50 H new ATOM 0 HA GLU A 57 -2.898 -4.538 -12.065 1.00 1.42 H new ATOM 0 HB2 GLU A 57 -2.893 -7.131 -12.421 1.00 1.58 H new ATOM 0 HB3 GLU A 57 -4.498 -7.067 -11.720 1.00 1.58 H new ATOM 0 HG2 GLU A 57 -4.687 -7.030 -14.134 1.00 2.03 H new ATOM 0 HG3 GLU A 57 -5.218 -5.486 -13.497 1.00 2.03 H new ATOM 908 N THR A 58 -4.237 -3.946 -9.561 1.00 1.99 N ATOM 909 CA THR A 58 -5.263 -3.423 -8.667 1.00 1.83 C ATOM 910 C THR A 58 -4.821 -2.055 -8.143 1.00 1.98 C ATOM 911 O THR A 58 -3.663 -1.679 -8.349 1.00 2.34 O ATOM 912 CB THR A 58 -5.481 -4.444 -7.537 1.00 1.81 C ATOM 913 OG1 THR A 58 -4.262 -4.706 -6.864 1.00 2.26 O ATOM 914 CG2 THR A 58 -5.999 -5.787 -8.064 1.00 1.71 C ATOM 0 H THR A 58 -3.287 -3.756 -9.243 1.00 1.99 H new ATOM 0 HA THR A 58 -6.212 -3.280 -9.184 1.00 1.83 H new ATOM 0 HB THR A 58 -6.219 -4.003 -6.867 1.00 1.81 H new ATOM 0 HG1 THR A 58 -4.417 -5.356 -6.147 1.00 2.26 H new ATOM 0 HG21 THR A 58 -6.138 -6.476 -7.231 1.00 1.71 H new ATOM 0 HG22 THR A 58 -6.951 -5.636 -8.572 1.00 1.71 H new ATOM 0 HG23 THR A 58 -5.277 -6.206 -8.764 1.00 1.71 H new ATOM 922 N VAL A 59 -5.693 -1.319 -7.449 1.00 1.75 N ATOM 923 CA VAL A 59 -5.279 -0.216 -6.585 1.00 1.61 C ATOM 924 C VAL A 59 -5.930 -0.402 -5.203 1.00 1.36 C ATOM 925 O VAL A 59 -6.971 -1.057 -5.110 1.00 1.43 O ATOM 926 CB VAL A 59 -5.562 1.168 -7.219 1.00 1.83 C ATOM 927 CG1 VAL A 59 -4.865 1.314 -8.577 1.00 2.24 C ATOM 928 CG2 VAL A 59 -7.046 1.508 -7.358 1.00 1.91 C ATOM 0 H VAL A 59 -6.701 -1.472 -7.471 1.00 1.75 H new ATOM 0 HA VAL A 59 -4.196 -0.238 -6.460 1.00 1.61 H new ATOM 0 HB VAL A 59 -5.146 1.886 -6.512 1.00 1.83 H new ATOM 0 HG11 VAL A 59 -5.084 2.297 -8.995 1.00 2.24 H new ATOM 0 HG12 VAL A 59 -3.788 1.207 -8.447 1.00 2.24 H new ATOM 0 HG13 VAL A 59 -5.227 0.542 -9.256 1.00 2.24 H new ATOM 0 HG21 VAL A 59 -7.153 2.494 -7.811 1.00 1.91 H new ATOM 0 HG22 VAL A 59 -7.532 0.764 -7.989 1.00 1.91 H new ATOM 0 HG23 VAL A 59 -7.513 1.509 -6.373 1.00 1.91 H new ATOM 938 N PRO A 60 -5.329 0.139 -4.132 1.00 1.11 N ATOM 939 CA PRO A 60 -4.014 0.725 -4.133 1.00 0.98 C ATOM 940 C PRO A 60 -2.991 -0.402 -4.058 1.00 0.86 C ATOM 941 O PRO A 60 -3.346 -1.581 -3.973 1.00 0.95 O ATOM 942 CB PRO A 60 -3.960 1.602 -2.887 1.00 0.90 C ATOM 943 CG PRO A 60 -4.772 0.781 -1.894 1.00 0.84 C ATOM 944 CD PRO A 60 -5.834 0.116 -2.775 1.00 1.00 C ATOM 0 HA PRO A 60 -3.801 1.313 -5.026 1.00 0.98 H new ATOM 0 HB2 PRO A 60 -2.938 1.764 -2.545 1.00 0.90 H new ATOM 0 HB3 PRO A 60 -4.398 2.585 -3.060 1.00 0.90 H new ATOM 0 HG2 PRO A 60 -4.155 0.043 -1.382 1.00 0.84 H new ATOM 0 HG3 PRO A 60 -5.222 1.409 -1.125 1.00 0.84 H new ATOM 0 HD2 PRO A 60 -6.020 -0.907 -2.450 1.00 1.00 H new ATOM 0 HD3 PRO A 60 -6.782 0.650 -2.707 1.00 1.00 H new ATOM 952 N GLN A 61 -1.719 -0.032 -4.078 1.00 0.76 N ATOM 953 CA GLN A 61 -0.619 -0.930 -3.804 1.00 0.70 C ATOM 954 C GLN A 61 0.224 -0.227 -2.750 1.00 0.58 C ATOM 955 O GLN A 61 0.849 0.788 -3.044 1.00 0.67 O ATOM 956 CB GLN A 61 0.141 -1.236 -5.101 1.00 0.84 C ATOM 957 CG GLN A 61 -0.849 -1.671 -6.193 1.00 1.39 C ATOM 958 CD GLN A 61 -0.164 -2.027 -7.499 1.00 1.80 C ATOM 959 OE1 GLN A 61 1.053 -2.009 -7.599 1.00 2.83 O ATOM 960 NE2 GLN A 61 -0.958 -2.343 -8.515 1.00 2.48 N ATOM 0 H GLN A 61 -1.422 0.921 -4.290 1.00 0.76 H new ATOM 0 HA GLN A 61 -0.937 -1.902 -3.427 1.00 0.70 H new ATOM 0 HB2 GLN A 61 0.692 -0.354 -5.427 1.00 0.84 H new ATOM 0 HB3 GLN A 61 0.874 -2.024 -4.927 1.00 0.84 H new ATOM 0 HG2 GLN A 61 -1.418 -2.531 -5.840 1.00 1.39 H new ATOM 0 HG3 GLN A 61 -1.564 -0.867 -6.370 1.00 1.39 H new ATOM 0 HE21 GLN A 61 -1.970 -2.346 -8.389 1.00 2.48 H new ATOM 0 HE22 GLN A 61 -0.556 -2.583 -9.421 1.00 2.48 H new ATOM 969 N ILE A 62 0.163 -0.688 -1.507 1.00 0.53 N ATOM 970 CA ILE A 62 1.008 -0.193 -0.442 1.00 0.49 C ATOM 971 C ILE A 62 2.347 -0.945 -0.513 1.00 0.49 C ATOM 972 O ILE A 62 2.382 -2.118 -0.894 1.00 0.62 O ATOM 973 CB ILE A 62 0.278 -0.310 0.917 1.00 0.50 C ATOM 974 CG1 ILE A 62 -0.770 0.813 1.150 1.00 0.51 C ATOM 975 CG2 ILE A 62 1.306 -0.277 2.041 1.00 0.57 C ATOM 976 CD1 ILE A 62 -2.139 0.257 1.527 1.00 0.61 C ATOM 0 H ILE A 62 -0.482 -1.422 -1.213 1.00 0.53 H new ATOM 0 HA ILE A 62 1.225 0.869 -0.555 1.00 0.49 H new ATOM 0 HB ILE A 62 -0.266 -1.255 0.906 1.00 0.50 H new ATOM 0 HG12 ILE A 62 -0.419 1.476 1.941 1.00 0.51 H new ATOM 0 HG13 ILE A 62 -0.861 1.415 0.246 1.00 0.51 H new ATOM 0 HG21 ILE A 62 0.798 -0.359 3.002 1.00 0.57 H new ATOM 0 HG22 ILE A 62 1.999 -1.110 1.925 1.00 0.57 H new ATOM 0 HG23 ILE A 62 1.858 0.662 2.002 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -2.837 1.080 1.679 1.00 0.61 H new ATOM 0 HD12 ILE A 62 -2.504 -0.385 0.725 1.00 0.61 H new ATOM 0 HD13 ILE A 62 -2.056 -0.323 2.446 1.00 0.61 H new ATOM 988 N PHE A 63 3.440 -0.265 -0.162 1.00 0.46 N ATOM 989 CA PHE A 63 4.768 -0.829 0.041 1.00 0.44 C ATOM 990 C PHE A 63 5.266 -0.361 1.414 1.00 0.48 C ATOM 991 O PHE A 63 5.281 0.848 1.648 1.00 0.63 O ATOM 992 CB PHE A 63 5.726 -0.318 -1.045 1.00 0.40 C ATOM 993 CG PHE A 63 5.672 -1.033 -2.385 1.00 0.46 C ATOM 994 CD1 PHE A 63 4.587 -0.863 -3.265 1.00 1.89 C ATOM 995 CD2 PHE A 63 6.778 -1.798 -2.795 1.00 1.95 C ATOM 996 CE1 PHE A 63 4.604 -1.483 -4.528 1.00 1.82 C ATOM 997 CE2 PHE A 63 6.804 -2.404 -4.060 1.00 2.11 C ATOM 998 CZ PHE A 63 5.711 -2.255 -4.926 1.00 0.78 C ATOM 0 H PHE A 63 3.418 0.743 -0.005 1.00 0.46 H new ATOM 0 HA PHE A 63 4.729 -1.917 -0.011 1.00 0.44 H new ATOM 0 HB2 PHE A 63 5.519 0.739 -1.213 1.00 0.40 H new ATOM 0 HB3 PHE A 63 6.744 -0.386 -0.662 1.00 0.40 H new ATOM 0 HD1 PHE A 63 3.742 -0.257 -2.971 1.00 1.89 H new ATOM 0 HD2 PHE A 63 7.618 -1.921 -2.128 1.00 1.95 H new ATOM 0 HE1 PHE A 63 3.763 -1.366 -5.195 1.00 1.82 H new ATOM 0 HE2 PHE A 63 7.663 -2.983 -4.366 1.00 2.11 H new ATOM 0 HZ PHE A 63 5.719 -2.731 -5.895 1.00 0.78 H new ATOM 1008 N VAL A 64 5.679 -1.266 2.307 1.00 0.51 N ATOM 1009 CA VAL A 64 6.289 -0.927 3.595 1.00 0.57 C ATOM 1010 C VAL A 64 7.786 -0.982 3.360 1.00 0.61 C ATOM 1011 O VAL A 64 8.267 -2.023 2.917 1.00 0.63 O ATOM 1012 CB VAL A 64 5.903 -1.926 4.706 1.00 0.71 C ATOM 1013 CG1 VAL A 64 6.671 -1.630 6.005 1.00 0.94 C ATOM 1014 CG2 VAL A 64 4.411 -1.874 5.043 1.00 0.76 C ATOM 0 H VAL A 64 5.597 -2.271 2.152 1.00 0.51 H new ATOM 0 HA VAL A 64 5.946 0.052 3.931 1.00 0.57 H new ATOM 0 HB VAL A 64 6.157 -2.912 4.317 1.00 0.71 H new ATOM 0 HG11 VAL A 64 6.380 -2.348 6.771 1.00 0.94 H new ATOM 0 HG12 VAL A 64 7.742 -1.710 5.821 1.00 0.94 H new ATOM 0 HG13 VAL A 64 6.436 -0.622 6.345 1.00 0.94 H new ATOM 0 HG21 VAL A 64 4.190 -2.595 5.830 1.00 0.76 H new ATOM 0 HG22 VAL A 64 4.150 -0.873 5.385 1.00 0.76 H new ATOM 0 HG23 VAL A 64 3.829 -2.117 4.154 1.00 0.76 H new ATOM 1024 N ASP A 65 8.507 0.103 3.648 1.00 0.72 N ATOM 1025 CA ASP A 65 9.947 0.218 3.424 1.00 0.88 C ATOM 1026 C ASP A 65 10.393 -0.526 2.143 1.00 0.80 C ATOM 1027 O ASP A 65 11.267 -1.388 2.157 1.00 1.75 O ATOM 1028 CB ASP A 65 10.719 -0.238 4.670 1.00 1.21 C ATOM 1029 CG ASP A 65 12.210 -0.138 4.445 1.00 2.16 C ATOM 1030 OD1 ASP A 65 12.653 0.918 3.959 1.00 3.41 O ATOM 1031 OD2 ASP A 65 12.917 -1.141 4.681 1.00 2.91 O ATOM 0 H ASP A 65 8.096 0.944 4.052 1.00 0.72 H new ATOM 0 HA ASP A 65 10.185 1.268 3.256 1.00 0.88 H new ATOM 0 HB2 ASP A 65 10.434 0.376 5.525 1.00 1.21 H new ATOM 0 HB3 ASP A 65 10.452 -1.266 4.913 1.00 1.21 H new ATOM 1036 N GLN A 66 9.734 -0.240 1.022 1.00 0.92 N ATOM 1037 CA GLN A 66 10.048 -0.759 -0.305 1.00 0.82 C ATOM 1038 C GLN A 66 9.750 -2.251 -0.537 1.00 0.68 C ATOM 1039 O GLN A 66 9.836 -2.720 -1.675 1.00 0.94 O ATOM 1040 CB GLN A 66 11.490 -0.399 -0.682 1.00 0.98 C ATOM 1041 CG GLN A 66 11.618 -0.203 -2.192 1.00 2.21 C ATOM 1042 CD GLN A 66 10.934 1.078 -2.654 1.00 3.60 C ATOM 1043 OE1 GLN A 66 9.848 1.056 -3.239 1.00 4.93 O ATOM 1044 NE2 GLN A 66 11.533 2.217 -2.348 1.00 4.26 N ATOM 0 H GLN A 66 8.931 0.388 1.015 1.00 0.92 H new ATOM 0 HA GLN A 66 9.350 -0.261 -0.978 1.00 0.82 H new ATOM 0 HB2 GLN A 66 11.790 0.512 -0.165 1.00 0.98 H new ATOM 0 HB3 GLN A 66 12.165 -1.189 -0.354 1.00 0.98 H new ATOM 0 HG2 GLN A 66 12.672 -0.172 -2.467 1.00 2.21 H new ATOM 0 HG3 GLN A 66 11.179 -1.057 -2.708 1.00 2.21 H new ATOM 0 HE21 GLN A 66 12.431 2.207 -1.864 1.00 4.26 H new ATOM 0 HE22 GLN A 66 11.097 3.105 -2.596 1.00 4.26 H new ATOM 1053 N GLN A 67 9.319 -2.987 0.479 1.00 0.53 N ATOM 1054 CA GLN A 67 8.735 -4.301 0.320 1.00 0.60 C ATOM 1055 C GLN A 67 7.281 -4.078 -0.075 1.00 0.51 C ATOM 1056 O GLN A 67 6.548 -3.352 0.596 1.00 0.55 O ATOM 1057 CB GLN A 67 8.875 -5.124 1.610 1.00 0.73 C ATOM 1058 CG GLN A 67 7.813 -6.222 1.711 1.00 0.91 C ATOM 1059 CD GLN A 67 8.197 -7.319 2.695 1.00 1.37 C ATOM 1060 OE1 GLN A 67 8.495 -7.045 3.852 1.00 2.63 O ATOM 1061 NE2 GLN A 67 8.210 -8.570 2.245 1.00 1.63 N ATOM 0 H GLN A 67 9.369 -2.678 1.450 1.00 0.53 H new ATOM 0 HA GLN A 67 9.247 -4.879 -0.449 1.00 0.60 H new ATOM 0 HB2 GLN A 67 9.867 -5.575 1.646 1.00 0.73 H new ATOM 0 HB3 GLN A 67 8.795 -4.462 2.472 1.00 0.73 H new ATOM 0 HG2 GLN A 67 6.866 -5.779 2.018 1.00 0.91 H new ATOM 0 HG3 GLN A 67 7.655 -6.661 0.726 1.00 0.91 H new ATOM 0 HE21 GLN A 67 7.957 -8.766 1.277 1.00 1.63 H new ATOM 0 HE22 GLN A 67 8.473 -9.333 2.868 1.00 1.63 H new ATOM 1070 N HIS A 68 6.876 -4.698 -1.175 1.00 0.59 N ATOM 1071 CA HIS A 68 5.499 -4.715 -1.631 1.00 0.55 C ATOM 1072 C HIS A 68 4.617 -5.349 -0.577 1.00 0.70 C ATOM 1073 O HIS A 68 4.856 -6.481 -0.155 1.00 1.00 O ATOM 1074 CB HIS A 68 5.392 -5.514 -2.926 1.00 0.81 C ATOM 1075 CG HIS A 68 3.982 -5.802 -3.368 1.00 0.83 C ATOM 1076 ND1 HIS A 68 3.424 -7.054 -3.507 1.00 0.85 N ATOM 1077 CD2 HIS A 68 3.055 -4.881 -3.775 1.00 0.86 C ATOM 1078 CE1 HIS A 68 2.197 -6.887 -4.028 1.00 0.82 C ATOM 1079 NE2 HIS A 68 1.922 -5.581 -4.196 1.00 0.86 N ATOM 0 H HIS A 68 7.511 -5.213 -1.785 1.00 0.59 H new ATOM 0 HA HIS A 68 5.173 -3.690 -1.809 1.00 0.55 H new ATOM 0 HB2 HIS A 68 5.903 -4.967 -3.718 1.00 0.81 H new ATOM 0 HB3 HIS A 68 5.920 -6.459 -2.799 1.00 0.81 H new ATOM 0 HD2 HIS A 68 3.177 -3.808 -3.771 1.00 0.86 H new ATOM 0 HE1 HIS A 68 1.522 -7.693 -4.278 1.00 0.82 H new ATOM 0 HE2 HIS A 68 1.057 -5.181 -4.559 1.00 0.86 H new ATOM 1087 N ILE A 69 3.556 -4.642 -0.215 1.00 0.68 N ATOM 1088 CA ILE A 69 2.450 -5.229 0.493 1.00 0.92 C ATOM 1089 C ILE A 69 1.384 -5.565 -0.541 1.00 0.88 C ATOM 1090 O ILE A 69 1.100 -6.738 -0.761 1.00 0.98 O ATOM 1091 CB ILE A 69 1.966 -4.259 1.571 1.00 1.11 C ATOM 1092 CG1 ILE A 69 3.081 -3.859 2.547 1.00 1.17 C ATOM 1093 CG2 ILE A 69 0.827 -4.904 2.339 1.00 1.40 C ATOM 1094 CD1 ILE A 69 3.917 -5.030 3.066 1.00 1.21 C ATOM 0 H ILE A 69 3.447 -3.646 -0.408 1.00 0.68 H new ATOM 0 HA ILE A 69 2.726 -6.146 1.013 1.00 0.92 H new ATOM 0 HB ILE A 69 1.633 -3.348 1.073 1.00 1.11 H new ATOM 0 HG12 ILE A 69 3.742 -3.148 2.052 1.00 1.17 H new ATOM 0 HG13 ILE A 69 2.635 -3.342 3.397 1.00 1.17 H new ATOM 0 HG21 ILE A 69 0.475 -4.219 3.111 1.00 1.40 H new ATOM 0 HG22 ILE A 69 0.009 -5.131 1.655 1.00 1.40 H new ATOM 0 HG23 ILE A 69 1.178 -5.825 2.804 1.00 1.40 H new ATOM 0 HD11 ILE A 69 4.681 -4.657 3.749 1.00 1.21 H new ATOM 0 HD12 ILE A 69 3.271 -5.733 3.592 1.00 1.21 H new ATOM 0 HD13 ILE A 69 4.396 -5.535 2.227 1.00 1.21 H new ATOM 1106 N GLY A 70 0.825 -4.543 -1.186 1.00 0.84 N ATOM 1107 CA GLY A 70 -0.370 -4.658 -2.008 1.00 0.94 C ATOM 1108 C GLY A 70 -1.505 -3.883 -1.340 1.00 0.93 C ATOM 1109 O GLY A 70 -1.239 -2.941 -0.596 1.00 1.25 O ATOM 0 H GLY A 70 1.200 -3.595 -1.149 1.00 0.84 H new ATOM 0 HA2 GLY A 70 -0.180 -4.264 -3.006 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -0.647 -5.706 -2.126 1.00 0.94 H new ATOM 1113 N GLY A 71 -2.762 -4.210 -1.627 1.00 1.03 N ATOM 1114 CA GLY A 71 -3.899 -3.482 -1.082 1.00 1.11 C ATOM 1115 C GLY A 71 -4.231 -3.910 0.346 1.00 0.74 C ATOM 1116 O GLY A 71 -3.422 -4.523 1.030 1.00 0.56 O ATOM 0 H GLY A 71 -3.018 -4.983 -2.241 1.00 1.03 H new ATOM 0 HA2 GLY A 71 -3.685 -2.413 -1.098 1.00 1.11 H new ATOM 0 HA3 GLY A 71 -4.769 -3.642 -1.719 1.00 1.11 H new ATOM 1120 N TYR A 72 -5.436 -3.574 0.802 1.00 0.76 N ATOM 1121 CA TYR A 72 -5.896 -3.776 2.166 1.00 0.64 C ATOM 1122 C TYR A 72 -5.874 -5.254 2.542 1.00 0.52 C ATOM 1123 O TYR A 72 -5.462 -5.587 3.645 1.00 0.55 O ATOM 1124 CB TYR A 72 -7.298 -3.159 2.301 1.00 0.79 C ATOM 1125 CG TYR A 72 -8.139 -3.558 3.489 1.00 0.73 C ATOM 1126 CD1 TYR A 72 -7.788 -3.102 4.769 1.00 1.51 C ATOM 1127 CD2 TYR A 72 -9.415 -4.108 3.266 1.00 1.36 C ATOM 1128 CE1 TYR A 72 -8.718 -3.180 5.817 1.00 1.62 C ATOM 1129 CE2 TYR A 72 -10.354 -4.156 4.308 1.00 1.78 C ATOM 1130 CZ TYR A 72 -9.999 -3.716 5.589 1.00 1.48 C ATOM 1131 OH TYR A 72 -10.934 -3.754 6.580 1.00 2.04 O ATOM 0 H TYR A 72 -6.141 -3.138 0.207 1.00 0.76 H new ATOM 0 HA TYR A 72 -5.223 -3.279 2.865 1.00 0.64 H new ATOM 0 HB2 TYR A 72 -7.185 -2.075 2.322 1.00 0.79 H new ATOM 0 HB3 TYR A 72 -7.858 -3.404 1.399 1.00 0.79 H new ATOM 0 HD1 TYR A 72 -6.805 -2.692 4.947 1.00 1.51 H new ATOM 0 HD2 TYR A 72 -9.672 -4.494 2.291 1.00 1.36 H new ATOM 0 HE1 TYR A 72 -8.450 -2.827 6.802 1.00 1.62 H new ATOM 0 HE2 TYR A 72 -11.349 -4.532 4.122 1.00 1.78 H new ATOM 0 HH TYR A 72 -11.758 -4.158 6.237 1.00 2.04 H new ATOM 1141 N THR A 73 -6.298 -6.139 1.650 1.00 0.58 N ATOM 1142 CA THR A 73 -6.277 -7.580 1.857 1.00 0.71 C ATOM 1143 C THR A 73 -4.858 -8.072 2.113 1.00 0.67 C ATOM 1144 O THR A 73 -4.538 -8.710 3.115 1.00 0.71 O ATOM 1145 CB THR A 73 -6.871 -8.217 0.590 1.00 1.16 C ATOM 1146 OG1 THR A 73 -6.465 -7.553 -0.601 1.00 2.28 O ATOM 1147 CG2 THR A 73 -8.372 -8.011 0.658 1.00 1.72 C ATOM 0 H THR A 73 -6.675 -5.868 0.742 1.00 0.58 H new ATOM 0 HA THR A 73 -6.861 -7.858 2.735 1.00 0.71 H new ATOM 0 HB THR A 73 -6.546 -9.257 0.557 1.00 1.16 H new ATOM 0 HG1 THR A 73 -5.521 -7.748 -0.778 1.00 2.28 H new ATOM 0 HG21 THR A 73 -8.840 -8.448 -0.224 1.00 1.72 H new ATOM 0 HG22 THR A 73 -8.765 -8.492 1.553 1.00 1.72 H new ATOM 0 HG23 THR A 73 -8.592 -6.944 0.694 1.00 1.72 H new ATOM 1155 N ASP A 74 -4.007 -7.734 1.160 1.00 0.70 N ATOM 1156 CA ASP A 74 -2.609 -8.082 1.064 1.00 0.81 C ATOM 1157 C ASP A 74 -1.930 -7.628 2.357 1.00 0.67 C ATOM 1158 O ASP A 74 -1.071 -8.299 2.934 1.00 0.82 O ATOM 1159 CB ASP A 74 -2.010 -7.360 -0.168 1.00 0.97 C ATOM 1160 CG ASP A 74 -2.898 -7.237 -1.405 1.00 1.60 C ATOM 1161 OD1 ASP A 74 -4.070 -6.810 -1.293 1.00 2.93 O ATOM 1162 OD2 ASP A 74 -2.414 -7.452 -2.531 1.00 2.17 O ATOM 0 H ASP A 74 -4.306 -7.162 0.370 1.00 0.70 H new ATOM 0 HA ASP A 74 -2.462 -9.155 0.940 1.00 0.81 H new ATOM 0 HB2 ASP A 74 -1.717 -6.356 0.138 1.00 0.97 H new ATOM 0 HB3 ASP A 74 -1.099 -7.884 -0.457 1.00 0.97 H new ATOM 1167 N PHE A 75 -2.322 -6.431 2.782 1.00 0.51 N ATOM 1168 CA PHE A 75 -1.756 -5.725 3.905 1.00 0.52 C ATOM 1169 C PHE A 75 -2.309 -6.368 5.181 1.00 0.70 C ATOM 1170 O PHE A 75 -1.576 -6.548 6.143 1.00 0.77 O ATOM 1171 CB PHE A 75 -2.118 -4.253 3.660 1.00 0.46 C ATOM 1172 CG PHE A 75 -1.767 -3.159 4.639 1.00 0.49 C ATOM 1173 CD1 PHE A 75 -1.837 -3.291 6.030 1.00 1.98 C ATOM 1174 CD2 PHE A 75 -1.226 -1.984 4.088 1.00 1.61 C ATOM 1175 CE1 PHE A 75 -1.349 -2.251 6.837 1.00 2.09 C ATOM 1176 CE2 PHE A 75 -1.012 -0.859 4.893 1.00 1.62 C ATOM 1177 CZ PHE A 75 -1.115 -0.986 6.274 1.00 0.82 C ATOM 0 H PHE A 75 -3.074 -5.913 2.328 1.00 0.51 H new ATOM 0 HA PHE A 75 -0.673 -5.779 4.020 1.00 0.52 H new ATOM 0 HB2 PHE A 75 -1.668 -3.975 2.707 1.00 0.46 H new ATOM 0 HB3 PHE A 75 -3.199 -4.216 3.525 1.00 0.46 H new ATOM 0 HD1 PHE A 75 -2.260 -4.179 6.476 1.00 1.98 H new ATOM 0 HD2 PHE A 75 -0.974 -1.949 3.038 1.00 1.61 H new ATOM 0 HE1 PHE A 75 -1.155 -2.423 7.885 1.00 2.09 H new ATOM 0 HE2 PHE A 75 -0.770 0.095 4.448 1.00 1.62 H new ATOM 0 HZ PHE A 75 -1.016 -0.118 6.909 1.00 0.82 H new ATOM 1187 N ALA A 76 -3.585 -6.744 5.217 1.00 0.83 N ATOM 1188 CA ALA A 76 -4.191 -7.425 6.354 1.00 1.02 C ATOM 1189 C ALA A 76 -3.486 -8.754 6.610 1.00 1.13 C ATOM 1190 O ALA A 76 -3.279 -9.139 7.763 1.00 1.35 O ATOM 1191 CB ALA A 76 -5.685 -7.644 6.111 1.00 1.09 C ATOM 0 H ALA A 76 -4.234 -6.581 4.447 1.00 0.83 H new ATOM 0 HA ALA A 76 -4.077 -6.798 7.238 1.00 1.02 H new ATOM 0 HB1 ALA A 76 -6.122 -8.154 6.969 1.00 1.09 H new ATOM 0 HB2 ALA A 76 -6.176 -6.681 5.972 1.00 1.09 H new ATOM 0 HB3 ALA A 76 -5.823 -8.254 5.218 1.00 1.09 H new ATOM 1197 N ALA A 77 -3.113 -9.465 5.545 1.00 1.04 N ATOM 1198 CA ALA A 77 -2.197 -10.586 5.677 1.00 1.08 C ATOM 1199 C ALA A 77 -0.918 -10.111 6.365 1.00 0.92 C ATOM 1200 O ALA A 77 -0.653 -10.510 7.499 1.00 0.92 O ATOM 1201 CB ALA A 77 -1.945 -11.265 4.327 1.00 1.10 C ATOM 0 H ALA A 77 -3.430 -9.283 4.593 1.00 1.04 H new ATOM 0 HA ALA A 77 -2.645 -11.356 6.306 1.00 1.08 H new ATOM 0 HB1 ALA A 77 -1.256 -12.099 4.462 1.00 1.10 H new ATOM 0 HB2 ALA A 77 -2.888 -11.635 3.924 1.00 1.10 H new ATOM 0 HB3 ALA A 77 -1.512 -10.545 3.633 1.00 1.10 H new ATOM 1207 N TRP A 78 -0.167 -9.224 5.706 1.00 0.85 N ATOM 1208 CA TRP A 78 1.169 -8.833 6.138 1.00 0.84 C ATOM 1209 C TRP A 78 1.169 -8.422 7.617 1.00 0.87 C ATOM 1210 O TRP A 78 2.000 -8.879 8.397 1.00 0.92 O ATOM 1211 CB TRP A 78 1.679 -7.692 5.251 1.00 0.77 C ATOM 1212 CG TRP A 78 3.015 -7.149 5.645 1.00 0.81 C ATOM 1213 CD1 TRP A 78 4.193 -7.700 5.287 1.00 0.91 C ATOM 1214 CD2 TRP A 78 3.351 -6.017 6.503 1.00 0.84 C ATOM 1215 NE1 TRP A 78 5.228 -7.008 5.873 1.00 0.99 N ATOM 1216 CE2 TRP A 78 4.770 -5.970 6.654 1.00 0.96 C ATOM 1217 CE3 TRP A 78 2.601 -5.036 7.184 1.00 0.85 C ATOM 1218 CZ2 TRP A 78 5.406 -5.029 7.477 1.00 1.08 C ATOM 1219 CZ3 TRP A 78 3.230 -4.071 7.991 1.00 0.99 C ATOM 1220 CH2 TRP A 78 4.627 -4.084 8.163 1.00 1.10 C ATOM 0 H TRP A 78 -0.475 -8.757 4.853 1.00 0.85 H new ATOM 0 HA TRP A 78 1.839 -9.687 6.037 1.00 0.84 H new ATOM 0 HB2 TRP A 78 1.734 -8.046 4.222 1.00 0.77 H new ATOM 0 HB3 TRP A 78 0.951 -6.881 5.270 1.00 0.77 H new ATOM 0 HD1 TRP A 78 4.307 -8.556 4.638 1.00 0.91 H new ATOM 0 HE1 TRP A 78 6.214 -7.236 5.745 1.00 0.99 H new ATOM 0 HE3 TRP A 78 1.526 -5.026 7.084 1.00 0.85 H new ATOM 0 HZ2 TRP A 78 6.481 -5.031 7.582 1.00 1.08 H new ATOM 0 HZ3 TRP A 78 2.637 -3.314 8.482 1.00 0.99 H new ATOM 0 HH2 TRP A 78 5.098 -3.369 8.821 1.00 1.10 H new ATOM 1231 N VAL A 79 0.230 -7.559 8.006 1.00 0.87 N ATOM 1232 CA VAL A 79 0.066 -7.062 9.363 1.00 0.92 C ATOM 1233 C VAL A 79 0.025 -8.207 10.355 1.00 0.93 C ATOM 1234 O VAL A 79 0.691 -8.124 11.384 1.00 0.85 O ATOM 1235 CB VAL A 79 -1.209 -6.208 9.486 1.00 1.00 C ATOM 1236 CG1 VAL A 79 -1.633 -5.951 10.940 1.00 1.15 C ATOM 1237 CG2 VAL A 79 -0.972 -4.844 8.849 1.00 0.94 C ATOM 0 H VAL A 79 -0.459 -7.176 7.359 1.00 0.87 H new ATOM 0 HA VAL A 79 0.926 -6.433 9.593 1.00 0.92 H new ATOM 0 HB VAL A 79 -1.996 -6.773 8.987 1.00 1.00 H new ATOM 0 HG11 VAL A 79 -2.538 -5.343 10.953 1.00 1.15 H new ATOM 0 HG12 VAL A 79 -1.827 -6.902 11.436 1.00 1.15 H new ATOM 0 HG13 VAL A 79 -0.835 -5.425 11.464 1.00 1.15 H new ATOM 0 HG21 VAL A 79 -1.875 -4.240 8.936 1.00 0.94 H new ATOM 0 HG22 VAL A 79 -0.149 -4.343 9.358 1.00 0.94 H new ATOM 0 HG23 VAL A 79 -0.722 -4.973 7.796 1.00 0.94 H new ATOM 1247 N LYS A 80 -0.784 -9.241 10.113 1.00 1.05 N ATOM 1248 CA LYS A 80 -0.851 -10.296 11.105 1.00 1.10 C ATOM 1249 C LYS A 80 0.528 -10.927 11.246 1.00 1.06 C ATOM 1250 O LYS A 80 1.072 -10.964 12.342 1.00 1.93 O ATOM 1251 CB LYS A 80 -1.968 -11.311 10.828 1.00 1.66 C ATOM 1252 CG LYS A 80 -3.241 -10.956 11.616 1.00 1.88 C ATOM 1253 CD LYS A 80 -4.055 -9.822 10.979 1.00 2.14 C ATOM 1254 CE LYS A 80 -5.198 -9.386 11.903 1.00 3.06 C ATOM 1255 NZ LYS A 80 -4.771 -8.343 12.849 1.00 4.15 N ATOM 0 H LYS A 80 -1.368 -9.363 9.286 1.00 1.05 H new ATOM 0 HA LYS A 80 -1.129 -9.863 12.066 1.00 1.10 H new ATOM 0 HB2 LYS A 80 -2.190 -11.331 9.761 1.00 1.66 H new ATOM 0 HB3 LYS A 80 -1.632 -12.311 11.103 1.00 1.66 H new ATOM 0 HG2 LYS A 80 -3.869 -11.843 11.696 1.00 1.88 H new ATOM 0 HG3 LYS A 80 -2.963 -10.669 12.630 1.00 1.88 H new ATOM 0 HD2 LYS A 80 -3.404 -8.972 10.773 1.00 2.14 H new ATOM 0 HD3 LYS A 80 -4.460 -10.152 10.023 1.00 2.14 H new ATOM 0 HE2 LYS A 80 -6.028 -9.014 11.303 1.00 3.06 H new ATOM 0 HE3 LYS A 80 -5.567 -10.249 12.457 1.00 3.06 H new ATOM 0 HZ1 LYS A 80 -5.572 -8.076 13.456 1.00 4.15 H new ATOM 0 HZ2 LYS A 80 -3.996 -8.706 13.439 1.00 4.15 H new ATOM 0 HZ3 LYS A 80 -4.443 -7.509 12.321 1.00 4.15 H new ATOM 1269 N GLU A 81 1.128 -11.349 10.138 1.00 1.17 N ATOM 1270 CA GLU A 81 2.410 -12.037 10.171 1.00 1.13 C ATOM 1271 C GLU A 81 3.613 -11.087 10.342 1.00 1.25 C ATOM 1272 O GLU A 81 4.744 -11.495 10.060 1.00 2.06 O ATOM 1273 CB GLU A 81 2.520 -12.966 8.946 1.00 1.37 C ATOM 1274 CG GLU A 81 1.867 -12.376 7.688 1.00 1.63 C ATOM 1275 CD GLU A 81 2.325 -13.049 6.421 1.00 1.97 C ATOM 1276 OE1 GLU A 81 1.744 -14.092 6.063 1.00 3.00 O ATOM 1277 OE2 GLU A 81 3.262 -12.523 5.784 1.00 2.60 O ATOM 0 H GLU A 81 0.743 -11.225 9.202 1.00 1.17 H new ATOM 0 HA GLU A 81 2.448 -12.654 11.069 1.00 1.13 H new ATOM 0 HB2 GLU A 81 3.572 -13.168 8.743 1.00 1.37 H new ATOM 0 HB3 GLU A 81 2.051 -13.922 9.178 1.00 1.37 H new ATOM 0 HG2 GLU A 81 0.784 -12.466 7.770 1.00 1.63 H new ATOM 0 HG3 GLU A 81 2.095 -11.312 7.631 1.00 1.63 H new ATOM 1284 N ASN A 82 3.419 -9.842 10.785 1.00 0.88 N ATOM 1285 CA ASN A 82 4.505 -8.898 11.067 1.00 1.04 C ATOM 1286 C ASN A 82 4.277 -8.159 12.372 1.00 1.13 C ATOM 1287 O ASN A 82 5.182 -8.047 13.192 1.00 1.38 O ATOM 1288 CB ASN A 82 4.646 -7.850 9.956 1.00 1.25 C ATOM 1289 CG ASN A 82 5.428 -8.396 8.779 1.00 1.40 C ATOM 1290 OD1 ASN A 82 6.608 -8.096 8.625 1.00 2.03 O ATOM 1291 ND2 ASN A 82 4.789 -9.199 7.944 1.00 1.25 N ATOM 0 H ASN A 82 2.491 -9.456 10.960 1.00 0.88 H new ATOM 0 HA ASN A 82 5.414 -9.497 11.131 1.00 1.04 H new ATOM 0 HB2 ASN A 82 3.657 -7.535 9.623 1.00 1.25 H new ATOM 0 HB3 ASN A 82 5.147 -6.965 10.349 1.00 1.25 H new ATOM 0 HD21 ASN A 82 5.278 -9.591 7.139 1.00 1.25 H new ATOM 0 HD22 ASN A 82 3.808 -9.426 8.105 1.00 1.25 H new ATOM 1298 N LEU A 83 3.106 -7.547 12.522 1.00 1.06 N ATOM 1299 CA LEU A 83 2.818 -6.599 13.586 1.00 1.22 C ATOM 1300 C LEU A 83 1.906 -7.194 14.657 1.00 1.23 C ATOM 1301 O LEU A 83 1.887 -6.662 15.770 1.00 1.77 O ATOM 1302 CB LEU A 83 2.205 -5.319 13.007 1.00 1.35 C ATOM 1303 CG LEU A 83 3.027 -4.661 11.885 1.00 1.38 C ATOM 1304 CD1 LEU A 83 2.334 -3.358 11.479 1.00 1.72 C ATOM 1305 CD2 LEU A 83 4.458 -4.330 12.322 1.00 1.73 C ATOM 0 H LEU A 83 2.317 -7.701 11.894 1.00 1.06 H new ATOM 0 HA LEU A 83 3.764 -6.355 14.069 1.00 1.22 H new ATOM 0 HB2 LEU A 83 1.211 -5.550 12.623 1.00 1.35 H new ATOM 0 HB3 LEU A 83 2.075 -4.598 13.814 1.00 1.35 H new ATOM 0 HG LEU A 83 3.086 -5.368 11.057 1.00 1.38 H new ATOM 0 HD11 LEU A 83 2.902 -2.876 10.684 1.00 1.72 H new ATOM 0 HD12 LEU A 83 1.327 -3.577 11.124 1.00 1.72 H new ATOM 0 HD13 LEU A 83 2.278 -2.692 12.340 1.00 1.72 H new ATOM 0 HD21 LEU A 83 4.994 -3.868 11.493 1.00 1.73 H new ATOM 0 HD22 LEU A 83 4.430 -3.640 13.166 1.00 1.73 H new ATOM 0 HD23 LEU A 83 4.969 -5.246 12.619 1.00 1.73 H new