USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 917 hydrogens (8 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 NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD NoAdj-H: B 4 PTR H : B 4 PTR N : B 3 VAL C :(H bumps) USER MOD Set 1.1: A 48 SER OG : rot -116:sc= 0.0918 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.0858 USER MOD Set 1.3: A 51 ASN : amide:sc= -3.15 K(o=-3,f=-0.71) USER MOD Set 2.1: A 29 THR OG1 : rot 81:sc= 0.639 USER MOD Set 2.2: A 32 CYS SG : rot 180:sc= -0.69 USER MOD Single : A 1 LEU N :NH3+ -126:sc= -3.03! (180deg=-6.32!) USER MOD Single : A 2 LYS NZ :NH3+ -153:sc= -0.234 (180deg=-0.944) USER MOD Single : A 3 THR OG1 : rot -65:sc= 1.19 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -88:sc= 1.37 USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.0585 (180deg=-0.501) USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= -1.69! (180deg=-2.41!) USER MOD Single : A 15 MET CE :methyl -172:sc= 0 (180deg=-0.00788) USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= -0.0973 (180deg=-0.629) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 167:sc= -0.12 (180deg=-0.319) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -0.0804 (180deg=-0.683) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.384 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.537 USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -73:sc= 0.573 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.78 K(o=-1.8,f=-0.0039) USER MOD Single : A 78 THR OG1 : rot -1:sc= -0.776! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -9.23! C(o=-9.2!,f=-5.9!) USER MOD Single : A 86 GLN : amide:sc= -0.0613 K(o=-0.061,f=-2.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 161:sc= -0.222 (180deg=-1.08) USER MOD Single : A 99 LYS NZ :NH3+ 125:sc= 0.0256 (180deg=-0.183) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot 61:sc= 1.15 USER MOD Single : B 5 SER OG : rot -150:sc= -0.0846 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 88.303 12.429 -13.212 1.00 0.00 N ATOM 2 CA LEU A 1 87.627 13.165 -12.106 1.00 0.00 C ATOM 3 C LEU A 1 88.114 12.626 -10.766 1.00 0.00 C ATOM 4 O LEU A 1 89.088 11.904 -10.692 1.00 0.00 O ATOM 5 CB LEU A 1 86.105 12.982 -12.218 1.00 0.00 C ATOM 6 CG LEU A 1 85.542 13.917 -13.295 1.00 0.00 C ATOM 7 CD1 LEU A 1 86.057 13.490 -14.673 1.00 0.00 C ATOM 8 CD2 LEU A 1 84.013 13.844 -13.277 1.00 0.00 C ATOM 0 H1 LEU A 1 88.759 13.109 -13.854 1.00 0.00 H new ATOM 0 H2 LEU A 1 89.022 11.791 -12.816 1.00 0.00 H new ATOM 0 H3 LEU A 1 87.600 11.873 -13.739 1.00 0.00 H new ATOM 0 HA LEU A 1 87.866 14.226 -12.177 1.00 0.00 H new ATOM 0 HB2 LEU A 1 85.872 11.946 -12.466 1.00 0.00 H new ATOM 0 HB3 LEU A 1 85.633 13.194 -11.258 1.00 0.00 H new ATOM 0 HG LEU A 1 85.864 14.938 -13.093 1.00 0.00 H new ATOM 0 HD11 LEU A 1 85.654 14.157 -15.435 1.00 0.00 H new ATOM 0 HD12 LEU A 1 87.146 13.540 -14.686 1.00 0.00 H new ATOM 0 HD13 LEU A 1 85.738 12.469 -14.880 1.00 0.00 H new ATOM 0 HD21 LEU A 1 83.608 14.507 -14.041 1.00 0.00 H new ATOM 0 HD22 LEU A 1 83.695 12.821 -13.479 1.00 0.00 H new ATOM 0 HD23 LEU A 1 83.646 14.152 -12.298 1.00 0.00 H new ATOM 22 N LYS A 2 87.441 12.966 -9.705 1.00 0.00 N ATOM 23 CA LYS A 2 87.853 12.472 -8.370 1.00 0.00 C ATOM 24 C LYS A 2 87.766 10.942 -8.342 1.00 0.00 C ATOM 25 O LYS A 2 87.784 10.330 -7.293 1.00 0.00 O ATOM 26 CB LYS A 2 86.922 13.064 -7.310 1.00 0.00 C ATOM 27 CG LYS A 2 87.325 14.513 -7.025 1.00 0.00 C ATOM 28 CD LYS A 2 87.319 15.325 -8.324 1.00 0.00 C ATOM 29 CE LYS A 2 87.307 16.820 -7.993 1.00 0.00 C ATOM 30 NZ LYS A 2 86.032 17.166 -7.303 1.00 0.00 N ATOM 0 H LYS A 2 86.618 13.569 -9.708 1.00 0.00 H new ATOM 0 HA LYS A 2 88.880 12.774 -8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 2 85.889 13.024 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 2 86.975 12.474 -6.395 1.00 0.00 H new ATOM 0 HG2 LYS A 2 86.635 14.956 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 2 88.317 14.541 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 2 88.197 15.081 -8.922 1.00 0.00 H new ATOM 0 HD3 LYS A 2 86.445 15.067 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 2 88.156 17.069 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 2 87.410 17.406 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 85.802 18.165 -7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 85.266 16.565 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 86.137 17.010 -6.280 1.00 0.00 H new ATOM 44 N THR A 3 87.672 10.318 -9.492 1.00 0.00 N ATOM 45 CA THR A 3 87.586 8.825 -9.542 1.00 0.00 C ATOM 46 C THR A 3 88.422 8.313 -10.714 1.00 0.00 C ATOM 47 O THR A 3 87.982 7.497 -11.499 1.00 0.00 O ATOM 48 CB THR A 3 86.128 8.402 -9.733 1.00 0.00 C ATOM 49 OG1 THR A 3 86.069 7.000 -9.951 1.00 0.00 O ATOM 50 CG2 THR A 3 85.536 9.135 -10.937 1.00 0.00 C ATOM 0 H THR A 3 87.651 10.781 -10.401 1.00 0.00 H new ATOM 0 HA THR A 3 87.964 8.406 -8.610 1.00 0.00 H new ATOM 0 HB THR A 3 85.555 8.655 -8.841 1.00 0.00 H new ATOM 0 HG1 THR A 3 86.513 6.781 -10.797 1.00 0.00 H new ATOM 0 HG21 THR A 3 84.497 8.833 -11.072 1.00 0.00 H new ATOM 0 HG22 THR A 3 85.582 10.211 -10.767 1.00 0.00 H new ATOM 0 HG23 THR A 3 86.106 8.885 -11.832 1.00 0.00 H new ATOM 58 N TYR A 4 89.629 8.792 -10.835 1.00 0.00 N ATOM 59 CA TYR A 4 90.516 8.347 -11.951 1.00 0.00 C ATOM 60 C TYR A 4 91.383 7.177 -11.480 1.00 0.00 C ATOM 61 O TYR A 4 92.071 7.266 -10.482 1.00 0.00 O ATOM 62 CB TYR A 4 91.416 9.510 -12.370 1.00 0.00 C ATOM 63 CG TYR A 4 92.055 9.200 -13.703 1.00 0.00 C ATOM 64 CD1 TYR A 4 93.124 8.300 -13.773 1.00 0.00 C ATOM 65 CD2 TYR A 4 91.578 9.813 -14.864 1.00 0.00 C ATOM 66 CE1 TYR A 4 93.716 8.014 -15.009 1.00 0.00 C ATOM 67 CE2 TYR A 4 92.169 9.528 -16.100 1.00 0.00 C ATOM 68 CZ TYR A 4 93.239 8.628 -16.173 1.00 0.00 C ATOM 69 OH TYR A 4 93.824 8.346 -17.391 1.00 0.00 O ATOM 0 H TYR A 4 90.044 9.478 -10.204 1.00 0.00 H new ATOM 0 HA TYR A 4 89.908 8.028 -12.798 1.00 0.00 H new ATOM 0 HB2 TYR A 4 90.833 10.428 -12.440 1.00 0.00 H new ATOM 0 HB3 TYR A 4 92.185 9.678 -11.616 1.00 0.00 H new ATOM 0 HD1 TYR A 4 93.492 7.827 -12.875 1.00 0.00 H new ATOM 0 HD2 TYR A 4 90.753 10.507 -14.808 1.00 0.00 H new ATOM 0 HE1 TYR A 4 94.541 7.319 -15.064 1.00 0.00 H new ATOM 0 HE2 TYR A 4 91.800 10.002 -16.997 1.00 0.00 H new ATOM 0 HH TYR A 4 93.373 8.855 -18.096 1.00 0.00 H new ATOM 79 N GLY A 5 91.359 6.083 -12.190 1.00 0.00 N ATOM 80 CA GLY A 5 92.184 4.912 -11.780 1.00 0.00 C ATOM 81 C GLY A 5 91.701 4.395 -10.425 1.00 0.00 C ATOM 82 O GLY A 5 92.485 3.976 -9.596 1.00 0.00 O ATOM 0 H GLY A 5 90.804 5.949 -13.036 1.00 0.00 H new ATOM 0 HA2 GLY A 5 92.112 4.123 -12.529 1.00 0.00 H new ATOM 0 HA3 GLY A 5 93.234 5.198 -11.719 1.00 0.00 H new ATOM 86 N VAL A 6 90.412 4.423 -10.197 1.00 0.00 N ATOM 87 CA VAL A 6 89.847 3.936 -8.897 1.00 0.00 C ATOM 88 C VAL A 6 88.734 2.925 -9.186 1.00 0.00 C ATOM 89 O VAL A 6 87.930 3.111 -10.077 1.00 0.00 O ATOM 90 CB VAL A 6 89.274 5.122 -8.116 1.00 0.00 C ATOM 91 CG1 VAL A 6 89.037 4.710 -6.663 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.265 6.289 -8.158 1.00 0.00 C ATOM 0 H VAL A 6 89.718 4.766 -10.862 1.00 0.00 H new ATOM 0 HA VAL A 6 90.630 3.461 -8.306 1.00 0.00 H new ATOM 0 HB VAL A 6 88.330 5.429 -8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.629 5.554 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.332 3.880 -6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 6 89.981 4.402 -6.214 1.00 0.00 H new ATOM 0 HG21 VAL A 6 89.857 7.133 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.209 5.981 -7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.435 6.585 -9.193 1.00 0.00 H new ATOM 102 N SER A 7 88.686 1.849 -8.443 1.00 0.00 N ATOM 103 CA SER A 7 87.630 0.816 -8.680 1.00 0.00 C ATOM 104 C SER A 7 86.448 1.054 -7.744 1.00 0.00 C ATOM 105 O SER A 7 86.463 0.676 -6.591 1.00 0.00 O ATOM 106 CB SER A 7 88.209 -0.565 -8.408 1.00 0.00 C ATOM 107 OG SER A 7 87.310 -1.556 -8.888 1.00 0.00 O ATOM 0 H SER A 7 89.332 1.640 -7.682 1.00 0.00 H new ATOM 0 HA SER A 7 87.291 0.882 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 7 89.177 -0.669 -8.898 1.00 0.00 H new ATOM 0 HB3 SER A 7 88.377 -0.697 -7.339 1.00 0.00 H new ATOM 0 HG SER A 7 86.662 -1.777 -8.187 1.00 0.00 H new ATOM 113 N PHE A 8 85.422 1.665 -8.248 1.00 0.00 N ATOM 114 CA PHE A 8 84.213 1.936 -7.416 1.00 0.00 C ATOM 115 C PHE A 8 83.333 0.680 -7.379 1.00 0.00 C ATOM 116 O PHE A 8 82.872 0.208 -8.399 1.00 0.00 O ATOM 117 CB PHE A 8 83.429 3.088 -8.049 1.00 0.00 C ATOM 118 CG PHE A 8 83.244 2.820 -9.524 1.00 0.00 C ATOM 119 CD1 PHE A 8 84.224 3.225 -10.438 1.00 0.00 C ATOM 120 CD2 PHE A 8 82.092 2.166 -9.978 1.00 0.00 C ATOM 121 CE1 PHE A 8 84.053 2.976 -11.805 1.00 0.00 C ATOM 122 CE2 PHE A 8 81.920 1.917 -11.345 1.00 0.00 C ATOM 123 CZ PHE A 8 82.901 2.322 -12.259 1.00 0.00 C ATOM 0 H PHE A 8 85.363 1.995 -9.211 1.00 0.00 H new ATOM 0 HA PHE A 8 84.509 2.201 -6.401 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.459 3.192 -7.563 1.00 0.00 H new ATOM 0 HB3 PHE A 8 83.961 4.028 -7.903 1.00 0.00 H new ATOM 0 HD1 PHE A 8 85.112 3.730 -10.088 1.00 0.00 H new ATOM 0 HD2 PHE A 8 81.336 1.853 -9.273 1.00 0.00 H new ATOM 0 HE1 PHE A 8 84.810 3.288 -12.510 1.00 0.00 H new ATOM 0 HE2 PHE A 8 81.031 1.413 -11.695 1.00 0.00 H new ATOM 0 HZ PHE A 8 82.769 2.130 -13.314 1.00 0.00 H new ATOM 133 N PHE A 9 83.091 0.140 -6.209 1.00 0.00 N ATOM 134 CA PHE A 9 82.233 -1.085 -6.096 1.00 0.00 C ATOM 135 C PHE A 9 80.844 -0.674 -5.600 1.00 0.00 C ATOM 136 O PHE A 9 80.714 0.046 -4.630 1.00 0.00 O ATOM 137 CB PHE A 9 82.856 -2.057 -5.078 1.00 0.00 C ATOM 138 CG PHE A 9 83.958 -2.869 -5.724 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.215 -2.295 -5.942 1.00 0.00 C ATOM 140 CD2 PHE A 9 83.724 -4.201 -6.092 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.238 -3.051 -6.528 1.00 0.00 C ATOM 142 CE2 PHE A 9 84.747 -4.956 -6.680 1.00 0.00 C ATOM 143 CZ PHE A 9 86.004 -4.381 -6.897 1.00 0.00 C ATOM 0 H PHE A 9 83.451 0.495 -5.323 1.00 0.00 H new ATOM 0 HA PHE A 9 82.159 -1.570 -7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.256 -1.499 -4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.088 -2.723 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.397 -1.269 -5.658 1.00 0.00 H new ATOM 0 HD2 PHE A 9 82.754 -4.646 -5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.208 -2.607 -6.695 1.00 0.00 H new ATOM 0 HE2 PHE A 9 84.566 -5.982 -6.966 1.00 0.00 H new ATOM 0 HZ PHE A 9 86.793 -4.963 -7.349 1.00 0.00 H new ATOM 153 N LEU A 10 79.804 -1.133 -6.241 1.00 0.00 N ATOM 154 CA LEU A 10 78.437 -0.768 -5.777 1.00 0.00 C ATOM 155 C LEU A 10 78.082 -1.620 -4.568 1.00 0.00 C ATOM 156 O LEU A 10 77.750 -2.782 -4.685 1.00 0.00 O ATOM 157 CB LEU A 10 77.413 -1.009 -6.896 1.00 0.00 C ATOM 158 CG LEU A 10 75.957 -0.769 -6.370 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.212 0.203 -7.291 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.176 -2.092 -6.331 1.00 0.00 C ATOM 0 H LEU A 10 79.841 -1.740 -7.060 1.00 0.00 H new ATOM 0 HA LEU A 10 78.417 0.288 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.618 -0.342 -7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.507 -2.029 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 10 76.029 -0.351 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.202 0.360 -6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.741 1.155 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.162 -0.214 -8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.167 -1.908 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.125 -2.514 -7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.682 -2.794 -5.667 1.00 0.00 H new ATOM 172 N VAL A 11 78.139 -1.034 -3.404 1.00 0.00 N ATOM 173 CA VAL A 11 77.792 -1.769 -2.156 1.00 0.00 C ATOM 174 C VAL A 11 76.554 -1.111 -1.564 1.00 0.00 C ATOM 175 O VAL A 11 76.308 0.059 -1.781 1.00 0.00 O ATOM 176 CB VAL A 11 78.956 -1.679 -1.167 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.235 -2.193 -1.838 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.155 -0.221 -0.727 1.00 0.00 C ATOM 0 H VAL A 11 78.416 -0.062 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 11 77.599 -2.821 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 11 78.733 -2.289 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.065 -2.130 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.095 -3.230 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.455 -1.585 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 11 79.985 -0.163 -0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.375 0.395 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.246 0.141 -0.247 1.00 0.00 H new ATOM 188 N LYS A 12 75.766 -1.846 -0.825 1.00 0.00 N ATOM 189 CA LYS A 12 74.530 -1.258 -0.223 1.00 0.00 C ATOM 190 C LYS A 12 74.732 -1.122 1.279 1.00 0.00 C ATOM 191 O LYS A 12 75.456 -1.880 1.894 1.00 0.00 O ATOM 192 CB LYS A 12 73.322 -2.176 -0.520 1.00 0.00 C ATOM 193 CG LYS A 12 72.539 -1.641 -1.728 1.00 0.00 C ATOM 194 CD LYS A 12 71.571 -2.713 -2.222 1.00 0.00 C ATOM 195 CE LYS A 12 70.881 -2.227 -3.498 1.00 0.00 C ATOM 196 NZ LYS A 12 71.876 -2.152 -4.605 1.00 0.00 N ATOM 0 H LYS A 12 75.924 -2.831 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 12 74.335 -0.275 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.667 -3.191 -0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.670 -2.227 0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 12 71.991 -0.741 -1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.227 -1.361 -2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.108 -3.641 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.828 -2.930 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.072 -2.906 -3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.433 -1.248 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.381 -2.175 -5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 72.417 -1.267 -4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.526 -2.962 -4.543 1.00 0.00 H new ATOM 210 N GLU A 13 74.087 -0.154 1.864 1.00 0.00 N ATOM 211 CA GLU A 13 74.209 0.071 3.333 1.00 0.00 C ATOM 212 C GLU A 13 72.830 -0.071 3.963 1.00 0.00 C ATOM 213 O GLU A 13 71.820 0.008 3.293 1.00 0.00 O ATOM 214 CB GLU A 13 74.746 1.476 3.594 1.00 0.00 C ATOM 215 CG GLU A 13 76.109 1.633 2.923 1.00 0.00 C ATOM 216 CD GLU A 13 76.753 2.944 3.378 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.050 3.756 3.956 1.00 0.00 O ATOM 218 OE2 GLU A 13 77.937 3.113 3.140 1.00 0.00 O ATOM 0 H GLU A 13 73.472 0.501 1.381 1.00 0.00 H new ATOM 0 HA GLU A 13 74.894 -0.658 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.050 2.220 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.835 1.650 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.752 0.791 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.995 1.628 1.839 1.00 0.00 H new ATOM 225 N LYS A 14 72.784 -0.287 5.246 1.00 0.00 N ATOM 226 CA LYS A 14 71.479 -0.447 5.950 1.00 0.00 C ATOM 227 C LYS A 14 71.224 0.786 6.810 1.00 0.00 C ATOM 228 O LYS A 14 71.848 0.990 7.832 1.00 0.00 O ATOM 229 CB LYS A 14 71.529 -1.692 6.846 1.00 0.00 C ATOM 230 CG LYS A 14 72.127 -2.888 6.079 1.00 0.00 C ATOM 231 CD LYS A 14 71.191 -3.351 4.946 1.00 0.00 C ATOM 232 CE LYS A 14 69.822 -3.769 5.512 1.00 0.00 C ATOM 233 NZ LYS A 14 69.989 -4.349 6.876 1.00 0.00 N ATOM 0 H LYS A 14 73.605 -0.361 5.847 1.00 0.00 H new ATOM 0 HA LYS A 14 70.678 -0.560 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.128 -1.485 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 14 70.525 -1.939 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 14 73.095 -2.609 5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 14 72.303 -3.714 6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 14 71.061 -2.546 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 14 71.642 -4.189 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.158 -2.906 5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.354 -4.500 4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 69.134 -4.883 7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 70.811 -4.986 6.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 70.138 -3.583 7.563 1.00 0.00 H new ATOM 247 N MET A 15 70.310 1.611 6.394 1.00 0.00 N ATOM 248 CA MET A 15 70.000 2.840 7.168 1.00 0.00 C ATOM 249 C MET A 15 69.307 2.449 8.482 1.00 0.00 C ATOM 250 O MET A 15 68.669 1.420 8.566 1.00 0.00 O ATOM 251 CB MET A 15 69.086 3.741 6.327 1.00 0.00 C ATOM 252 CG MET A 15 69.929 4.631 5.408 1.00 0.00 C ATOM 253 SD MET A 15 70.754 5.908 6.401 1.00 0.00 S ATOM 254 CE MET A 15 72.470 5.471 6.015 1.00 0.00 C ATOM 0 H MET A 15 69.760 1.486 5.544 1.00 0.00 H new ATOM 0 HA MET A 15 70.917 3.381 7.402 1.00 0.00 H new ATOM 0 HB2 MET A 15 68.407 3.130 5.732 1.00 0.00 H new ATOM 0 HB3 MET A 15 68.470 4.359 6.980 1.00 0.00 H new ATOM 0 HG2 MET A 15 70.669 4.030 4.880 1.00 0.00 H new ATOM 0 HG3 MET A 15 69.296 5.095 4.651 1.00 0.00 H new ATOM 0 HE1 MET A 15 73.144 6.053 6.643 1.00 0.00 H new ATOM 0 HE2 MET A 15 72.626 4.409 6.203 1.00 0.00 H new ATOM 0 HE3 MET A 15 72.674 5.688 4.966 1.00 0.00 H new ATOM 264 N LYS A 16 69.474 3.273 9.498 1.00 0.00 N ATOM 265 CA LYS A 16 68.891 3.028 10.870 1.00 0.00 C ATOM 266 C LYS A 16 68.032 1.759 10.934 1.00 0.00 C ATOM 267 O LYS A 16 68.415 0.771 11.529 1.00 0.00 O ATOM 268 CB LYS A 16 68.045 4.243 11.308 1.00 0.00 C ATOM 269 CG LYS A 16 68.557 5.529 10.621 1.00 0.00 C ATOM 270 CD LYS A 16 67.836 5.747 9.262 1.00 0.00 C ATOM 271 CE LYS A 16 66.721 6.793 9.413 1.00 0.00 C ATOM 272 NZ LYS A 16 67.321 8.121 9.720 1.00 0.00 N ATOM 0 H LYS A 16 70.010 4.138 9.431 1.00 0.00 H new ATOM 0 HA LYS A 16 69.732 2.886 11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 16 66.999 4.078 11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 16 68.094 4.357 12.391 1.00 0.00 H new ATOM 0 HG2 LYS A 16 68.387 6.387 11.271 1.00 0.00 H new ATOM 0 HG3 LYS A 16 69.633 5.459 10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 16 68.554 6.076 8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 16 67.415 4.805 8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 16 66.136 6.850 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 16 66.037 6.498 10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 66.730 8.872 9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 67.375 8.248 10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 68.277 8.172 9.315 1.00 0.00 H new ATOM 286 N GLY A 17 66.867 1.784 10.344 1.00 0.00 N ATOM 287 CA GLY A 17 65.982 0.583 10.392 1.00 0.00 C ATOM 288 C GLY A 17 65.179 0.454 9.099 1.00 0.00 C ATOM 289 O GLY A 17 64.395 -0.461 8.945 1.00 0.00 O ATOM 0 H GLY A 17 66.490 2.582 9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 17 66.584 -0.313 10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 17 65.303 0.658 11.242 1.00 0.00 H new ATOM 293 N LYS A 18 65.355 1.349 8.163 1.00 0.00 N ATOM 294 CA LYS A 18 64.571 1.227 6.891 1.00 0.00 C ATOM 295 C LYS A 18 64.702 -0.197 6.364 1.00 0.00 C ATOM 296 O LYS A 18 65.790 -0.684 6.128 1.00 0.00 O ATOM 297 CB LYS A 18 65.078 2.218 5.808 1.00 0.00 C ATOM 298 CG LYS A 18 65.741 3.434 6.454 1.00 0.00 C ATOM 299 CD LYS A 18 64.713 4.242 7.275 1.00 0.00 C ATOM 300 CE LYS A 18 63.975 5.236 6.369 1.00 0.00 C ATOM 301 NZ LYS A 18 63.086 6.098 7.199 1.00 0.00 N ATOM 0 H LYS A 18 65.992 2.144 8.217 1.00 0.00 H new ATOM 0 HA LYS A 18 63.530 1.466 7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 18 65.789 1.715 5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 18 64.244 2.541 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 18 66.556 3.110 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 18 66.178 4.069 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 18 63.998 3.565 7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 18 65.219 4.777 8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 18 64.692 5.851 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 18 63.387 4.699 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 62.585 6.772 6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 62.394 5.504 7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 63.658 6.620 7.893 1.00 0.00 H new ATOM 315 N ASN A 19 63.606 -0.858 6.140 1.00 0.00 N ATOM 316 CA ASN A 19 63.689 -2.230 5.587 1.00 0.00 C ATOM 317 C ASN A 19 64.358 -2.114 4.226 1.00 0.00 C ATOM 318 O ASN A 19 64.655 -3.089 3.564 1.00 0.00 O ATOM 319 CB ASN A 19 62.284 -2.803 5.432 1.00 0.00 C ATOM 320 CG ASN A 19 62.369 -4.316 5.223 1.00 0.00 C ATOM 321 OD1 ASN A 19 63.242 -4.966 5.763 1.00 0.00 O ATOM 322 ND2 ASN A 19 61.496 -4.907 4.456 1.00 0.00 N ATOM 0 H ASN A 19 62.663 -0.510 6.315 1.00 0.00 H new ATOM 0 HA ASN A 19 64.255 -2.890 6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 19 61.690 -2.581 6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 19 61.781 -2.336 4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 19 61.546 -5.915 4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 19 60.763 -4.361 4.003 1.00 0.00 H new ATOM 329 N LYS A 20 64.583 -0.899 3.814 1.00 0.00 N ATOM 330 CA LYS A 20 65.222 -0.637 2.502 1.00 0.00 C ATOM 331 C LYS A 20 66.744 -0.748 2.637 1.00 0.00 C ATOM 332 O LYS A 20 67.273 -1.101 3.672 1.00 0.00 O ATOM 333 CB LYS A 20 64.830 0.787 2.040 1.00 0.00 C ATOM 334 CG LYS A 20 64.253 0.762 0.616 1.00 0.00 C ATOM 335 CD LYS A 20 62.793 0.263 0.642 1.00 0.00 C ATOM 336 CE LYS A 20 61.837 1.442 0.859 1.00 0.00 C ATOM 337 NZ LYS A 20 60.448 0.930 1.032 1.00 0.00 N ATOM 0 H LYS A 20 64.345 -0.061 4.345 1.00 0.00 H new ATOM 0 HA LYS A 20 64.885 -1.368 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 20 64.095 1.207 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 20 65.704 1.437 2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 20 64.296 1.760 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 20 64.856 0.112 -0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 20 62.556 -0.240 -0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 20 62.665 -0.470 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 20 62.138 2.011 1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 20 61.882 2.122 0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 59.799 1.729 1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 60.163 0.405 0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 60.411 0.298 1.857 1.00 0.00 H new ATOM 351 N LEU A 21 67.433 -0.422 1.585 1.00 0.00 N ATOM 352 CA LEU A 21 68.927 -0.464 1.580 1.00 0.00 C ATOM 353 C LEU A 21 69.406 0.808 0.891 1.00 0.00 C ATOM 354 O LEU A 21 68.673 1.408 0.129 1.00 0.00 O ATOM 355 CB LEU A 21 69.443 -1.689 0.791 1.00 0.00 C ATOM 356 CG LEU A 21 68.620 -2.944 1.126 1.00 0.00 C ATOM 357 CD1 LEU A 21 68.882 -4.026 0.076 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.028 -3.480 2.499 1.00 0.00 C ATOM 0 H LEU A 21 67.017 -0.120 0.704 1.00 0.00 H new ATOM 0 HA LEU A 21 69.301 -0.539 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.387 -1.487 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.493 -1.864 1.028 1.00 0.00 H new ATOM 0 HG LEU A 21 67.562 -2.682 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.298 -4.914 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.593 -3.656 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.942 -4.279 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 21 68.442 -4.369 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.087 -3.736 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 21 68.846 -2.717 3.256 1.00 0.00 H new ATOM 370 N VAL A 22 70.618 1.232 1.141 1.00 0.00 N ATOM 371 CA VAL A 22 71.126 2.481 0.482 1.00 0.00 C ATOM 372 C VAL A 22 72.358 2.131 -0.394 1.00 0.00 C ATOM 373 O VAL A 22 73.394 1.804 0.148 1.00 0.00 O ATOM 374 CB VAL A 22 71.541 3.474 1.591 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.515 4.526 1.041 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.301 4.190 2.145 1.00 0.00 C ATOM 0 H VAL A 22 71.278 0.773 1.769 1.00 0.00 H new ATOM 0 HA VAL A 22 70.355 2.923 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 22 72.031 2.909 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.794 5.215 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.408 4.031 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 22 72.035 5.080 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.602 4.888 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.807 4.736 1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.612 3.455 2.561 1.00 0.00 H new ATOM 386 N PRO A 23 72.247 2.239 -1.716 1.00 0.00 N ATOM 387 CA PRO A 23 73.398 1.961 -2.600 1.00 0.00 C ATOM 388 C PRO A 23 74.570 2.890 -2.256 1.00 0.00 C ATOM 389 O PRO A 23 74.387 4.011 -1.825 1.00 0.00 O ATOM 390 CB PRO A 23 72.875 2.240 -4.027 1.00 0.00 C ATOM 391 CG PRO A 23 71.337 2.372 -3.929 1.00 0.00 C ATOM 392 CD PRO A 23 71.002 2.598 -2.441 1.00 0.00 C ATOM 0 HA PRO A 23 73.768 0.941 -2.494 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.315 3.153 -4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.150 1.431 -4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.981 3.205 -4.536 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.847 1.473 -4.303 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.718 3.633 -2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.166 1.975 -2.124 1.00 0.00 H new ATOM 400 N ARG A 24 75.771 2.427 -2.457 1.00 0.00 N ATOM 401 CA ARG A 24 76.965 3.269 -2.162 1.00 0.00 C ATOM 402 C ARG A 24 78.116 2.798 -3.048 1.00 0.00 C ATOM 403 O ARG A 24 78.187 1.641 -3.414 1.00 0.00 O ATOM 404 CB ARG A 24 77.343 3.120 -0.681 1.00 0.00 C ATOM 405 CG ARG A 24 78.313 4.240 -0.258 1.00 0.00 C ATOM 406 CD ARG A 24 77.529 5.488 0.161 1.00 0.00 C ATOM 407 NE ARG A 24 76.955 5.285 1.521 1.00 0.00 N ATOM 408 CZ ARG A 24 76.507 6.305 2.200 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.568 7.506 1.692 1.00 0.00 N ATOM 410 NH2 ARG A 24 75.998 6.126 3.388 1.00 0.00 N ATOM 0 H ARG A 24 75.979 1.495 -2.815 1.00 0.00 H new ATOM 0 HA ARG A 24 76.750 4.318 -2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.445 3.156 -0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.805 2.147 -0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.936 3.899 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.983 4.482 -1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.184 6.359 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.732 5.686 -0.555 1.00 0.00 H new ATOM 0 HE ARG A 24 76.912 4.348 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 24 76.966 7.647 0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.218 8.303 2.223 1.00 0.00 H new ATOM 0 HH21 ARG A 24 75.950 5.188 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 24 75.648 6.924 3.918 1.00 0.00 H new ATOM 424 N LEU A 25 79.017 3.678 -3.397 1.00 0.00 N ATOM 425 CA LEU A 25 80.171 3.284 -4.260 1.00 0.00 C ATOM 426 C LEU A 25 81.437 3.291 -3.401 1.00 0.00 C ATOM 427 O LEU A 25 81.611 4.141 -2.549 1.00 0.00 O ATOM 428 CB LEU A 25 80.301 4.291 -5.404 1.00 0.00 C ATOM 429 CG LEU A 25 79.208 4.044 -6.457 1.00 0.00 C ATOM 430 CD1 LEU A 25 79.184 5.224 -7.441 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.461 2.719 -7.223 1.00 0.00 C ATOM 0 H LEU A 25 79.003 4.659 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 25 80.021 2.289 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.219 5.306 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.285 4.204 -5.864 1.00 0.00 H new ATOM 0 HG LEU A 25 78.245 3.961 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.411 5.056 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.970 6.145 -6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 25 80.154 5.308 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.673 2.569 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.426 2.769 -7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.462 1.886 -6.519 1.00 0.00 H new ATOM 443 N LEU A 26 82.311 2.335 -3.602 1.00 0.00 N ATOM 444 CA LEU A 26 83.567 2.253 -2.786 1.00 0.00 C ATOM 445 C LEU A 26 84.783 2.195 -3.714 1.00 0.00 C ATOM 446 O LEU A 26 85.035 1.205 -4.371 1.00 0.00 O ATOM 447 CB LEU A 26 83.510 0.980 -1.933 1.00 0.00 C ATOM 448 CG LEU A 26 84.717 0.907 -0.983 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.612 1.986 0.109 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.745 -0.478 -0.331 1.00 0.00 C ATOM 0 H LEU A 26 82.209 1.601 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 26 83.653 3.131 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.585 0.964 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.497 0.103 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 26 85.632 1.078 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.475 1.918 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.587 2.972 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.699 1.833 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.597 -0.544 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.823 -0.635 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 26 84.835 -1.242 -1.103 1.00 0.00 H new ATOM 462 N GLY A 27 85.535 3.259 -3.761 1.00 0.00 N ATOM 463 CA GLY A 27 86.744 3.312 -4.632 1.00 0.00 C ATOM 464 C GLY A 27 87.967 2.780 -3.885 1.00 0.00 C ATOM 465 O GLY A 27 88.318 3.259 -2.827 1.00 0.00 O ATOM 0 H GLY A 27 85.360 4.108 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.576 2.722 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.924 4.338 -4.952 1.00 0.00 H new ATOM 469 N ILE A 28 88.630 1.797 -4.443 1.00 0.00 N ATOM 470 CA ILE A 28 89.850 1.232 -3.788 1.00 0.00 C ATOM 471 C ILE A 28 91.085 1.794 -4.494 1.00 0.00 C ATOM 472 O ILE A 28 91.351 1.477 -5.637 1.00 0.00 O ATOM 473 CB ILE A 28 89.848 -0.297 -3.915 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.692 -0.889 -3.093 1.00 0.00 C ATOM 475 CG2 ILE A 28 91.174 -0.848 -3.387 1.00 0.00 C ATOM 476 CD1 ILE A 28 87.340 -0.538 -3.725 1.00 0.00 C ATOM 0 H ILE A 28 88.377 1.360 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 28 89.860 1.502 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 28 89.722 -0.570 -4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 28 88.800 -1.972 -3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.732 -0.507 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 28 91.177 -1.934 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.998 -0.434 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 28 91.293 -0.569 -2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 28 86.536 -0.967 -3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 28 87.226 0.545 -3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 28 87.295 -0.942 -4.736 1.00 0.00 H new ATOM 488 N THR A 29 91.846 2.628 -3.829 1.00 0.00 N ATOM 489 CA THR A 29 93.063 3.208 -4.473 1.00 0.00 C ATOM 490 C THR A 29 94.281 2.360 -4.097 1.00 0.00 C ATOM 491 O THR A 29 94.215 1.509 -3.233 1.00 0.00 O ATOM 492 CB THR A 29 93.259 4.658 -3.989 1.00 0.00 C ATOM 493 OG1 THR A 29 91.988 5.249 -3.758 1.00 0.00 O ATOM 494 CG2 THR A 29 94.009 5.468 -5.051 1.00 0.00 C ATOM 0 H THR A 29 91.677 2.931 -2.870 1.00 0.00 H new ATOM 0 HA THR A 29 92.945 3.209 -5.557 1.00 0.00 H new ATOM 0 HB THR A 29 93.840 4.654 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.650 4.966 -2.883 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.143 6.491 -4.701 1.00 0.00 H new ATOM 0 HG22 THR A 29 94.984 5.016 -5.232 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.434 5.474 -5.977 1.00 0.00 H new ATOM 502 N LYS A 30 95.388 2.583 -4.745 1.00 0.00 N ATOM 503 CA LYS A 30 96.605 1.788 -4.432 1.00 0.00 C ATOM 504 C LYS A 30 97.190 2.234 -3.094 1.00 0.00 C ATOM 505 O LYS A 30 98.026 1.563 -2.522 1.00 0.00 O ATOM 506 CB LYS A 30 97.644 2.004 -5.531 1.00 0.00 C ATOM 507 CG LYS A 30 97.886 3.507 -5.705 1.00 0.00 C ATOM 508 CD LYS A 30 98.952 3.753 -6.790 1.00 0.00 C ATOM 509 CE LYS A 30 98.295 3.804 -8.176 1.00 0.00 C ATOM 510 NZ LYS A 30 97.742 5.168 -8.410 1.00 0.00 N ATOM 0 H LYS A 30 95.503 3.282 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 30 96.338 0.733 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.576 1.501 -5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.296 1.568 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.955 4.003 -5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 30 98.211 3.942 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.474 4.689 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.699 2.960 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 30 99.026 3.558 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.500 3.061 -8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 97.296 5.205 -9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 97.033 5.385 -7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 98.511 5.867 -8.364 1.00 0.00 H new ATOM 524 N GLU A 31 96.772 3.373 -2.602 1.00 0.00 N ATOM 525 CA GLU A 31 97.314 3.891 -1.306 1.00 0.00 C ATOM 526 C GLU A 31 96.173 4.271 -0.359 1.00 0.00 C ATOM 527 O GLU A 31 96.406 4.765 0.726 1.00 0.00 O ATOM 528 CB GLU A 31 98.158 5.134 -1.594 1.00 0.00 C ATOM 529 CG GLU A 31 99.395 4.762 -2.453 1.00 0.00 C ATOM 530 CD GLU A 31 100.694 5.027 -1.677 1.00 0.00 C ATOM 531 OE1 GLU A 31 101.068 4.182 -0.881 1.00 0.00 O ATOM 532 OE2 GLU A 31 101.289 6.070 -1.896 1.00 0.00 O ATOM 0 H GLU A 31 96.074 3.971 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 31 97.917 3.115 -0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.555 5.877 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.481 5.587 -0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.344 3.711 -2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 31 99.392 5.343 -3.375 1.00 0.00 H new ATOM 539 N CYS A 32 94.944 4.055 -0.745 1.00 0.00 N ATOM 540 CA CYS A 32 93.827 4.426 0.170 1.00 0.00 C ATOM 541 C CYS A 32 92.481 3.945 -0.389 1.00 0.00 C ATOM 542 O CYS A 32 92.331 3.701 -1.569 1.00 0.00 O ATOM 543 CB CYS A 32 93.802 5.960 0.328 1.00 0.00 C ATOM 544 SG CYS A 32 94.470 6.731 -1.168 1.00 0.00 S ATOM 0 H CYS A 32 94.668 3.645 -1.638 1.00 0.00 H new ATOM 0 HA CYS A 32 93.986 3.949 1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.782 6.302 0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.390 6.257 1.197 1.00 0.00 H new ATOM 0 HG CYS A 32 94.448 8.024 -1.037 1.00 0.00 H new ATOM 550 N VAL A 33 91.492 3.843 0.464 1.00 0.00 N ATOM 551 CA VAL A 33 90.129 3.422 0.015 1.00 0.00 C ATOM 552 C VAL A 33 89.266 4.680 -0.022 1.00 0.00 C ATOM 553 O VAL A 33 89.308 5.475 0.892 1.00 0.00 O ATOM 554 CB VAL A 33 89.549 2.419 1.014 1.00 0.00 C ATOM 555 CG1 VAL A 33 88.089 2.129 0.663 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.355 1.121 0.956 1.00 0.00 C ATOM 0 H VAL A 33 91.572 4.035 1.462 1.00 0.00 H new ATOM 0 HA VAL A 33 90.164 2.947 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 33 89.602 2.837 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.678 1.414 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.514 3.054 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.032 1.712 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 33 89.943 0.405 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.302 0.705 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.395 1.327 1.209 1.00 0.00 H new ATOM 566 N MET A 34 88.512 4.897 -1.075 1.00 0.00 N ATOM 567 CA MET A 34 87.689 6.147 -1.157 1.00 0.00 C ATOM 568 C MET A 34 86.220 5.867 -0.860 1.00 0.00 C ATOM 569 O MET A 34 85.660 4.893 -1.316 1.00 0.00 O ATOM 570 CB MET A 34 87.809 6.737 -2.571 1.00 0.00 C ATOM 571 CG MET A 34 89.213 6.477 -3.117 1.00 0.00 C ATOM 572 SD MET A 34 89.481 7.486 -4.595 1.00 0.00 S ATOM 573 CE MET A 34 90.121 8.953 -3.753 1.00 0.00 C ATOM 0 H MET A 34 88.431 4.269 -1.874 1.00 0.00 H new ATOM 0 HA MET A 34 88.062 6.850 -0.413 1.00 0.00 H new ATOM 0 HB2 MET A 34 87.064 6.289 -3.228 1.00 0.00 H new ATOM 0 HB3 MET A 34 87.610 7.808 -2.547 1.00 0.00 H new ATOM 0 HG2 MET A 34 89.960 6.717 -2.360 1.00 0.00 H new ATOM 0 HG3 MET A 34 89.331 5.421 -3.358 1.00 0.00 H new ATOM 0 HE1 MET A 34 90.570 9.626 -4.484 1.00 0.00 H new ATOM 0 HE2 MET A 34 89.305 9.464 -3.242 1.00 0.00 H new ATOM 0 HE3 MET A 34 90.875 8.655 -3.024 1.00 0.00 H new ATOM 583 N ARG A 35 85.571 6.754 -0.146 1.00 0.00 N ATOM 584 CA ARG A 35 84.115 6.561 0.118 1.00 0.00 C ATOM 585 C ARG A 35 83.396 7.305 -0.995 1.00 0.00 C ATOM 586 O ARG A 35 83.684 8.457 -1.251 1.00 0.00 O ATOM 587 CB ARG A 35 83.711 7.191 1.459 1.00 0.00 C ATOM 588 CG ARG A 35 84.122 6.298 2.649 1.00 0.00 C ATOM 589 CD ARG A 35 83.158 6.521 3.834 1.00 0.00 C ATOM 590 NE ARG A 35 82.589 7.897 3.776 1.00 0.00 N ATOM 591 CZ ARG A 35 81.534 8.195 4.482 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.981 7.290 5.242 1.00 0.00 N ATOM 593 NH2 ARG A 35 81.032 9.397 4.429 1.00 0.00 N ATOM 0 H ARG A 35 85.983 7.594 0.261 1.00 0.00 H new ATOM 0 HA ARG A 35 83.868 5.500 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 35 84.180 8.170 1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.633 7.350 1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 35 84.107 5.250 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 35 85.143 6.529 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 35 82.355 5.785 3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.687 6.377 4.776 1.00 0.00 H new ATOM 0 HE ARG A 35 83.024 8.605 3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.374 6.350 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.156 7.523 5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 35 81.465 10.105 3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 35 80.207 9.630 4.981 1.00 0.00 H new ATOM 607 N VAL A 36 82.492 6.662 -1.685 1.00 0.00 N ATOM 608 CA VAL A 36 81.797 7.348 -2.810 1.00 0.00 C ATOM 609 C VAL A 36 80.300 7.051 -2.774 1.00 0.00 C ATOM 610 O VAL A 36 79.877 5.912 -2.755 1.00 0.00 O ATOM 611 CB VAL A 36 82.402 6.852 -4.125 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.796 7.616 -5.306 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.912 7.084 -4.101 1.00 0.00 C ATOM 0 H VAL A 36 82.207 5.697 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 36 81.928 8.426 -2.721 1.00 0.00 H new ATOM 0 HB VAL A 36 82.187 5.789 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.234 7.255 -6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.718 7.458 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 36 82.004 8.680 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.349 6.732 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 36 84.115 8.149 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.351 6.537 -3.267 1.00 0.00 H new ATOM 623 N ASP A 37 79.499 8.079 -2.781 1.00 0.00 N ATOM 624 CA ASP A 37 78.027 7.883 -2.768 1.00 0.00 C ATOM 625 C ASP A 37 77.598 7.391 -4.144 1.00 0.00 C ATOM 626 O ASP A 37 78.189 7.731 -5.144 1.00 0.00 O ATOM 627 CB ASP A 37 77.332 9.215 -2.459 1.00 0.00 C ATOM 628 CG ASP A 37 77.408 9.512 -0.959 1.00 0.00 C ATOM 629 OD1 ASP A 37 77.752 8.614 -0.209 1.00 0.00 O ATOM 630 OD2 ASP A 37 77.122 10.637 -0.585 1.00 0.00 O ATOM 0 H ASP A 37 79.805 9.052 -2.795 1.00 0.00 H new ATOM 0 HA ASP A 37 77.752 7.155 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.805 10.020 -3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 37 76.290 9.173 -2.777 1.00 0.00 H new ATOM 635 N GLU A 38 76.574 6.600 -4.205 1.00 0.00 N ATOM 636 CA GLU A 38 76.098 6.092 -5.519 1.00 0.00 C ATOM 637 C GLU A 38 75.112 7.108 -6.062 1.00 0.00 C ATOM 638 O GLU A 38 74.815 7.170 -7.239 1.00 0.00 O ATOM 639 CB GLU A 38 75.405 4.756 -5.284 1.00 0.00 C ATOM 640 CG GLU A 38 75.276 3.970 -6.587 1.00 0.00 C ATOM 641 CD GLU A 38 74.224 4.626 -7.483 1.00 0.00 C ATOM 642 OE1 GLU A 38 73.134 4.876 -6.997 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.527 4.868 -8.640 1.00 0.00 O ATOM 0 H GLU A 38 76.040 6.279 -3.398 1.00 0.00 H new ATOM 0 HA GLU A 38 76.915 5.952 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.970 4.172 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.416 4.925 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.237 3.939 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 38 74.995 2.939 -6.374 1.00 0.00 H new ATOM 650 N LYS A 39 74.617 7.903 -5.176 1.00 0.00 N ATOM 651 CA LYS A 39 73.646 8.952 -5.536 1.00 0.00 C ATOM 652 C LYS A 39 74.372 10.102 -6.227 1.00 0.00 C ATOM 653 O LYS A 39 74.013 10.521 -7.310 1.00 0.00 O ATOM 654 CB LYS A 39 73.010 9.454 -4.247 1.00 0.00 C ATOM 655 CG LYS A 39 71.922 10.481 -4.561 1.00 0.00 C ATOM 656 CD LYS A 39 71.358 11.037 -3.254 1.00 0.00 C ATOM 657 CE LYS A 39 70.391 12.181 -3.559 1.00 0.00 C ATOM 658 NZ LYS A 39 69.453 11.766 -4.640 1.00 0.00 N ATOM 0 H LYS A 39 74.853 7.869 -4.184 1.00 0.00 H new ATOM 0 HA LYS A 39 72.887 8.558 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.582 8.618 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.771 9.903 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 39 72.333 11.289 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 39 71.127 10.018 -5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.843 10.249 -2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 39 72.169 11.392 -2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.833 12.448 -2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.946 13.068 -3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.617 12.384 -4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.929 11.843 -5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.157 10.781 -4.484 1.00 0.00 H new ATOM 672 N THR A 40 75.389 10.622 -5.595 1.00 0.00 N ATOM 673 CA THR A 40 76.151 11.761 -6.188 1.00 0.00 C ATOM 674 C THR A 40 77.430 11.253 -6.858 1.00 0.00 C ATOM 675 O THR A 40 78.146 12.011 -7.481 1.00 0.00 O ATOM 676 CB THR A 40 76.522 12.750 -5.079 1.00 0.00 C ATOM 677 OG1 THR A 40 77.013 12.033 -3.955 1.00 0.00 O ATOM 678 CG2 THR A 40 75.286 13.552 -4.674 1.00 0.00 C ATOM 0 H THR A 40 75.728 10.305 -4.687 1.00 0.00 H new ATOM 0 HA THR A 40 75.530 12.253 -6.936 1.00 0.00 H new ATOM 0 HB THR A 40 77.291 13.432 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 40 77.253 12.663 -3.244 1.00 0.00 H new ATOM 0 HG21 THR A 40 75.551 14.255 -3.885 1.00 0.00 H new ATOM 0 HG22 THR A 40 74.909 14.100 -5.537 1.00 0.00 H new ATOM 0 HG23 THR A 40 74.515 12.873 -4.311 1.00 0.00 H new ATOM 686 N LYS A 41 77.739 9.985 -6.743 1.00 0.00 N ATOM 687 CA LYS A 41 78.986 9.485 -7.391 1.00 0.00 C ATOM 688 C LYS A 41 80.157 10.385 -6.989 1.00 0.00 C ATOM 689 O LYS A 41 81.170 10.438 -7.657 1.00 0.00 O ATOM 690 CB LYS A 41 78.806 9.517 -8.909 1.00 0.00 C ATOM 691 CG LYS A 41 77.548 8.729 -9.278 1.00 0.00 C ATOM 692 CD LYS A 41 77.391 8.684 -10.801 1.00 0.00 C ATOM 693 CE LYS A 41 77.278 10.107 -11.364 1.00 0.00 C ATOM 694 NZ LYS A 41 76.521 10.072 -12.647 1.00 0.00 N ATOM 0 H LYS A 41 77.192 9.288 -6.238 1.00 0.00 H new ATOM 0 HA LYS A 41 79.190 8.463 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 41 78.721 10.547 -9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.678 9.086 -9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.613 7.716 -8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.671 9.194 -8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 41 78.246 8.175 -11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 41 76.504 8.109 -11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 41 76.772 10.754 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 41 78.271 10.526 -11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 76.443 11.036 -13.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 77.022 9.467 -13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 75.569 9.689 -12.478 1.00 0.00 H new ATOM 708 N GLU A 42 80.018 11.096 -5.896 1.00 0.00 N ATOM 709 CA GLU A 42 81.113 12.006 -5.433 1.00 0.00 C ATOM 710 C GLU A 42 81.892 11.333 -4.303 1.00 0.00 C ATOM 711 O GLU A 42 81.434 10.387 -3.708 1.00 0.00 O ATOM 712 CB GLU A 42 80.502 13.315 -4.913 1.00 0.00 C ATOM 713 CG GLU A 42 81.544 14.432 -4.939 1.00 0.00 C ATOM 714 CD GLU A 42 80.869 15.767 -4.622 1.00 0.00 C ATOM 715 OE1 GLU A 42 80.445 15.940 -3.491 1.00 0.00 O ATOM 716 OE2 GLU A 42 80.787 16.594 -5.515 1.00 0.00 O ATOM 0 H GLU A 42 79.189 11.085 -5.302 1.00 0.00 H new ATOM 0 HA GLU A 42 81.784 12.218 -6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 42 79.645 13.593 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.134 13.174 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 42 82.330 14.228 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 42 82.020 14.477 -5.918 1.00 0.00 H new ATOM 723 N VAL A 43 83.059 11.831 -4.001 1.00 0.00 N ATOM 724 CA VAL A 43 83.877 11.232 -2.899 1.00 0.00 C ATOM 725 C VAL A 43 83.455 11.851 -1.566 1.00 0.00 C ATOM 726 O VAL A 43 83.468 13.054 -1.398 1.00 0.00 O ATOM 727 CB VAL A 43 85.366 11.513 -3.155 1.00 0.00 C ATOM 728 CG1 VAL A 43 86.188 11.161 -1.911 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.848 10.662 -4.331 1.00 0.00 C ATOM 0 H VAL A 43 83.486 12.630 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 43 83.717 10.154 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 43 85.494 12.571 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 43 87.242 11.363 -2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.849 11.764 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 43 86.058 10.105 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.904 10.860 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.712 9.606 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 43 85.272 10.913 -5.222 1.00 0.00 H new ATOM 739 N ILE A 44 83.075 11.034 -0.615 1.00 0.00 N ATOM 740 CA ILE A 44 82.642 11.563 0.713 1.00 0.00 C ATOM 741 C ILE A 44 83.770 11.413 1.736 1.00 0.00 C ATOM 742 O ILE A 44 83.831 12.138 2.709 1.00 0.00 O ATOM 743 CB ILE A 44 81.423 10.778 1.194 1.00 0.00 C ATOM 744 CG1 ILE A 44 80.403 10.655 0.054 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.786 11.507 2.376 1.00 0.00 C ATOM 746 CD1 ILE A 44 80.103 12.034 -0.541 1.00 0.00 C ATOM 0 H ILE A 44 83.046 10.018 -0.703 1.00 0.00 H new ATOM 0 HA ILE A 44 82.392 12.619 0.610 1.00 0.00 H new ATOM 0 HB ILE A 44 81.734 9.781 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.791 9.994 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.483 10.204 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.916 10.949 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.510 11.588 3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 44 80.477 12.505 2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 44 79.378 11.932 -1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.695 12.683 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 44 81.023 12.470 -0.932 1.00 0.00 H new ATOM 758 N GLN A 45 84.660 10.479 1.538 1.00 0.00 N ATOM 759 CA GLN A 45 85.767 10.300 2.521 1.00 0.00 C ATOM 760 C GLN A 45 86.808 9.326 1.969 1.00 0.00 C ATOM 761 O GLN A 45 86.579 8.623 1.006 1.00 0.00 O ATOM 762 CB GLN A 45 85.209 9.757 3.843 1.00 0.00 C ATOM 763 CG GLN A 45 86.328 9.686 4.891 1.00 0.00 C ATOM 764 CD GLN A 45 85.719 9.593 6.291 1.00 0.00 C ATOM 765 OE1 GLN A 45 84.625 9.092 6.461 1.00 0.00 O ATOM 766 NE2 GLN A 45 86.389 10.060 7.309 1.00 0.00 N ATOM 0 H GLN A 45 84.670 9.837 0.745 1.00 0.00 H new ATOM 0 HA GLN A 45 86.239 11.267 2.697 1.00 0.00 H new ATOM 0 HB2 GLN A 45 84.405 10.400 4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.781 8.767 3.688 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.962 8.820 4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.964 10.568 4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.307 10.480 7.166 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.994 10.005 8.248 1.00 0.00 H new ATOM 775 N GLU A 46 87.957 9.294 2.582 1.00 0.00 N ATOM 776 CA GLU A 46 89.054 8.389 2.131 1.00 0.00 C ATOM 777 C GLU A 46 89.751 7.771 3.346 1.00 0.00 C ATOM 778 O GLU A 46 89.649 8.260 4.453 1.00 0.00 O ATOM 779 CB GLU A 46 90.069 9.196 1.307 1.00 0.00 C ATOM 780 CG GLU A 46 89.573 9.344 -0.136 1.00 0.00 C ATOM 781 CD GLU A 46 90.303 10.506 -0.816 1.00 0.00 C ATOM 782 OE1 GLU A 46 91.458 10.329 -1.168 1.00 0.00 O ATOM 783 OE2 GLU A 46 89.694 11.551 -0.972 1.00 0.00 O ATOM 0 H GLU A 46 88.188 9.868 3.393 1.00 0.00 H new ATOM 0 HA GLU A 46 88.637 7.591 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 46 90.212 10.180 1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 46 91.038 8.697 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.747 8.420 -0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.498 9.522 -0.145 1.00 0.00 H new ATOM 790 N TRP A 47 90.467 6.693 3.135 1.00 0.00 N ATOM 791 CA TRP A 47 91.189 6.021 4.256 1.00 0.00 C ATOM 792 C TRP A 47 92.567 5.584 3.770 1.00 0.00 C ATOM 793 O TRP A 47 92.761 5.317 2.607 1.00 0.00 O ATOM 794 CB TRP A 47 90.415 4.780 4.701 1.00 0.00 C ATOM 795 CG TRP A 47 89.144 5.173 5.391 1.00 0.00 C ATOM 796 CD1 TRP A 47 89.047 6.048 6.421 1.00 0.00 C ATOM 797 CD2 TRP A 47 87.789 4.706 5.125 1.00 0.00 C ATOM 798 NE1 TRP A 47 87.720 6.149 6.796 1.00 0.00 N ATOM 799 CE2 TRP A 47 86.909 5.341 6.031 1.00 0.00 C ATOM 800 CE3 TRP A 47 87.241 3.802 4.195 1.00 0.00 C ATOM 801 CZ2 TRP A 47 85.540 5.090 6.019 1.00 0.00 C ATOM 802 CZ3 TRP A 47 85.860 3.547 4.179 1.00 0.00 C ATOM 803 CH2 TRP A 47 85.012 4.189 5.090 1.00 0.00 C ATOM 0 H TRP A 47 90.582 6.247 2.225 1.00 0.00 H new ATOM 0 HA TRP A 47 91.282 6.716 5.091 1.00 0.00 H new ATOM 0 HB2 TRP A 47 90.188 4.156 3.836 1.00 0.00 H new ATOM 0 HB3 TRP A 47 91.031 4.182 5.373 1.00 0.00 H new ATOM 0 HD1 TRP A 47 89.871 6.579 6.874 1.00 0.00 H new ATOM 0 HE1 TRP A 47 87.383 6.749 7.548 1.00 0.00 H new ATOM 0 HE3 TRP A 47 87.887 3.301 3.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 84.890 5.588 6.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 85.450 2.852 3.461 1.00 0.00 H new ATOM 0 HH2 TRP A 47 83.951 3.988 5.075 1.00 0.00 H new ATOM 814 N SER A 48 93.525 5.493 4.649 1.00 0.00 N ATOM 815 CA SER A 48 94.887 5.059 4.221 1.00 0.00 C ATOM 816 C SER A 48 94.940 3.528 4.179 1.00 0.00 C ATOM 817 O SER A 48 94.442 2.858 5.061 1.00 0.00 O ATOM 818 CB SER A 48 95.930 5.593 5.206 1.00 0.00 C ATOM 819 OG SER A 48 97.178 5.728 4.539 1.00 0.00 O ATOM 0 H SER A 48 93.426 5.699 5.643 1.00 0.00 H new ATOM 0 HA SER A 48 95.103 5.454 3.228 1.00 0.00 H new ATOM 0 HB2 SER A 48 95.611 6.556 5.605 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.029 4.914 6.053 1.00 0.00 H new ATOM 0 HG SER A 48 97.832 5.119 4.942 1.00 0.00 H new ATOM 825 N LEU A 49 95.539 2.968 3.164 1.00 0.00 N ATOM 826 CA LEU A 49 95.618 1.484 3.081 1.00 0.00 C ATOM 827 C LEU A 49 96.465 0.969 4.252 1.00 0.00 C ATOM 828 O LEU A 49 96.315 -0.153 4.693 1.00 0.00 O ATOM 829 CB LEU A 49 96.260 1.083 1.729 1.00 0.00 C ATOM 830 CG LEU A 49 95.172 0.639 0.730 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.700 0.757 -0.704 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.777 -0.820 1.007 1.00 0.00 C ATOM 0 H LEU A 49 95.975 3.472 2.392 1.00 0.00 H new ATOM 0 HA LEU A 49 94.622 1.045 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.817 1.925 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.974 0.274 1.883 1.00 0.00 H new ATOM 0 HG LEU A 49 94.300 1.282 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.926 0.442 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.973 1.793 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.577 0.121 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 49 94.008 -1.129 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.652 -1.461 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.391 -0.906 2.023 1.00 0.00 H new ATOM 844 N THR A 50 97.353 1.783 4.754 1.00 0.00 N ATOM 845 CA THR A 50 98.210 1.346 5.890 1.00 0.00 C ATOM 846 C THR A 50 97.429 1.461 7.202 1.00 0.00 C ATOM 847 O THR A 50 97.889 1.044 8.247 1.00 0.00 O ATOM 848 CB THR A 50 99.455 2.234 5.959 1.00 0.00 C ATOM 849 OG1 THR A 50 99.060 3.597 6.026 1.00 0.00 O ATOM 850 CG2 THR A 50 100.313 2.008 4.712 1.00 0.00 C ATOM 0 H THR A 50 97.522 2.734 4.425 1.00 0.00 H new ATOM 0 HA THR A 50 98.508 0.309 5.738 1.00 0.00 H new ATOM 0 HB THR A 50 100.035 1.981 6.847 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.856 4.166 6.072 1.00 0.00 H new ATOM 0 HG21 THR A 50 101.200 2.640 4.761 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.615 0.962 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.736 2.261 3.823 1.00 0.00 H new ATOM 858 N ASN A 51 96.249 2.023 7.159 1.00 0.00 N ATOM 859 CA ASN A 51 95.437 2.164 8.408 1.00 0.00 C ATOM 860 C ASN A 51 94.563 0.922 8.592 1.00 0.00 C ATOM 861 O ASN A 51 94.309 0.489 9.698 1.00 0.00 O ATOM 862 CB ASN A 51 94.542 3.405 8.301 1.00 0.00 C ATOM 863 CG ASN A 51 95.377 4.663 8.545 1.00 0.00 C ATOM 864 OD1 ASN A 51 94.847 5.702 8.888 1.00 0.00 O ATOM 865 ND2 ASN A 51 96.671 4.614 8.383 1.00 0.00 N ATOM 0 H ASN A 51 95.811 2.391 6.314 1.00 0.00 H new ATOM 0 HA ASN A 51 96.105 2.270 9.263 1.00 0.00 H new ATOM 0 HB2 ASN A 51 94.080 3.449 7.315 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.733 3.346 9.029 1.00 0.00 H new ATOM 0 HD21 ASN A 51 97.237 5.447 8.544 1.00 0.00 H new ATOM 0 HD22 ASN A 51 97.116 3.743 8.095 1.00 0.00 H new ATOM 872 N ILE A 52 94.099 0.345 7.518 1.00 0.00 N ATOM 873 CA ILE A 52 93.242 -0.865 7.640 1.00 0.00 C ATOM 874 C ILE A 52 93.981 -1.933 8.451 1.00 0.00 C ATOM 875 O ILE A 52 95.100 -2.294 8.148 1.00 0.00 O ATOM 876 CB ILE A 52 92.922 -1.409 6.247 1.00 0.00 C ATOM 877 CG1 ILE A 52 92.192 -0.332 5.436 1.00 0.00 C ATOM 878 CG2 ILE A 52 92.030 -2.644 6.381 1.00 0.00 C ATOM 879 CD1 ILE A 52 92.047 -0.791 3.983 1.00 0.00 C ATOM 0 H ILE A 52 94.276 0.659 6.564 1.00 0.00 H new ATOM 0 HA ILE A 52 92.313 -0.603 8.147 1.00 0.00 H new ATOM 0 HB ILE A 52 93.846 -1.681 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 52 91.209 -0.142 5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.745 0.606 5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.799 -3.035 5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.550 -3.407 6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 52 91.104 -2.371 6.888 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.528 -0.023 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 52 93.035 -0.959 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.475 -1.718 3.950 1.00 0.00 H new ATOM 891 N LYS A 53 93.361 -2.436 9.486 1.00 0.00 N ATOM 892 CA LYS A 53 94.018 -3.477 10.331 1.00 0.00 C ATOM 893 C LYS A 53 93.644 -4.872 9.819 1.00 0.00 C ATOM 894 O LYS A 53 94.495 -5.715 9.617 1.00 0.00 O ATOM 895 CB LYS A 53 93.542 -3.318 11.778 1.00 0.00 C ATOM 896 CG LYS A 53 94.106 -4.452 12.634 1.00 0.00 C ATOM 897 CD LYS A 53 93.896 -4.126 14.114 1.00 0.00 C ATOM 898 CE LYS A 53 94.387 -5.295 14.970 1.00 0.00 C ATOM 899 NZ LYS A 53 94.179 -4.977 16.411 1.00 0.00 N ATOM 0 H LYS A 53 92.423 -2.169 9.784 1.00 0.00 H new ATOM 0 HA LYS A 53 95.100 -3.358 10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.866 -2.355 12.174 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.453 -3.328 11.816 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.612 -5.391 12.384 1.00 0.00 H new ATOM 0 HG3 LYS A 53 95.168 -4.585 12.427 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.437 -3.217 14.377 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.840 -3.937 14.309 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.848 -6.205 14.706 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.443 -5.483 14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 94.513 -5.771 16.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.712 -4.119 16.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 93.167 -4.819 16.589 1.00 0.00 H new ATOM 913 N ARG A 54 92.379 -5.124 9.610 1.00 0.00 N ATOM 914 CA ARG A 54 91.953 -6.467 9.113 1.00 0.00 C ATOM 915 C ARG A 54 90.646 -6.335 8.338 1.00 0.00 C ATOM 916 O ARG A 54 90.061 -5.274 8.259 1.00 0.00 O ATOM 917 CB ARG A 54 91.718 -7.407 10.303 1.00 0.00 C ATOM 918 CG ARG A 54 90.807 -6.721 11.339 1.00 0.00 C ATOM 919 CD ARG A 54 90.096 -7.769 12.204 1.00 0.00 C ATOM 920 NE ARG A 54 89.665 -7.128 13.479 1.00 0.00 N ATOM 921 CZ ARG A 54 88.831 -7.743 14.274 1.00 0.00 C ATOM 922 NH1 ARG A 54 88.394 -8.933 13.967 1.00 0.00 N ATOM 923 NH2 ARG A 54 88.436 -7.168 15.377 1.00 0.00 N ATOM 0 H ARG A 54 91.621 -4.458 9.762 1.00 0.00 H new ATOM 0 HA ARG A 54 92.734 -6.869 8.467 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.260 -8.335 9.960 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.670 -7.672 10.762 1.00 0.00 H new ATOM 0 HG2 ARG A 54 91.399 -6.059 11.971 1.00 0.00 H new ATOM 0 HG3 ARG A 54 90.070 -6.100 10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.233 -8.173 11.674 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.764 -8.605 12.409 1.00 0.00 H new ATOM 0 HE ARG A 54 90.022 -6.207 13.731 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.704 -9.384 13.106 1.00 0.00 H new ATOM 0 HH12 ARG A 54 87.743 -9.413 14.588 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.779 -6.238 15.618 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.785 -7.649 15.998 1.00 0.00 H new ATOM 937 N TRP A 55 90.172 -7.415 7.784 1.00 0.00 N ATOM 938 CA TRP A 55 88.887 -7.360 7.036 1.00 0.00 C ATOM 939 C TRP A 55 88.277 -8.753 6.965 1.00 0.00 C ATOM 940 O TRP A 55 88.897 -9.732 7.308 1.00 0.00 O ATOM 941 CB TRP A 55 89.121 -6.835 5.618 1.00 0.00 C ATOM 942 CG TRP A 55 90.203 -7.626 4.956 1.00 0.00 C ATOM 943 CD1 TRP A 55 90.054 -8.873 4.456 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.587 -7.247 4.702 1.00 0.00 C ATOM 945 NE1 TRP A 55 91.261 -9.288 3.920 1.00 0.00 N ATOM 946 CE2 TRP A 55 92.234 -8.319 4.045 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.336 -6.090 4.978 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.576 -8.246 3.673 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.687 -6.013 4.605 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.306 -7.090 3.952 1.00 0.00 C ATOM 0 H TRP A 55 90.618 -8.332 7.817 1.00 0.00 H new ATOM 0 HA TRP A 55 88.206 -6.687 7.556 1.00 0.00 H new ATOM 0 HB2 TRP A 55 88.201 -6.905 5.038 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.397 -5.781 5.652 1.00 0.00 H new ATOM 0 HD1 TRP A 55 89.142 -9.451 4.472 1.00 0.00 H new ATOM 0 HE1 TRP A 55 91.412 -10.199 3.486 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.869 -5.255 5.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 94.047 -9.079 3.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.254 -5.119 4.822 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.345 -7.024 3.666 1.00 0.00 H new ATOM 961 N ALA A 56 87.059 -8.846 6.521 1.00 0.00 N ATOM 962 CA ALA A 56 86.397 -10.177 6.411 1.00 0.00 C ATOM 963 C ALA A 56 85.429 -10.138 5.228 1.00 0.00 C ATOM 964 O ALA A 56 84.521 -9.330 5.189 1.00 0.00 O ATOM 965 CB ALA A 56 85.636 -10.476 7.704 1.00 0.00 C ATOM 0 H ALA A 56 86.487 -8.054 6.227 1.00 0.00 H new ATOM 0 HA ALA A 56 87.140 -10.959 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.152 -11.449 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.333 -10.485 8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.881 -9.707 7.868 1.00 0.00 H new ATOM 971 N ALA A 57 85.618 -10.991 4.256 1.00 0.00 N ATOM 972 CA ALA A 57 84.714 -10.987 3.064 1.00 0.00 C ATOM 973 C ALA A 57 83.665 -12.086 3.190 1.00 0.00 C ATOM 974 O ALA A 57 83.969 -13.261 3.136 1.00 0.00 O ATOM 975 CB ALA A 57 85.542 -11.230 1.804 1.00 0.00 C ATOM 0 H ALA A 57 86.359 -11.691 4.234 1.00 0.00 H new ATOM 0 HA ALA A 57 84.212 -10.021 3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 57 84.887 -11.228 0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.287 -10.441 1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.044 -12.195 1.879 1.00 0.00 H new ATOM 981 N SER A 58 82.421 -11.710 3.336 1.00 0.00 N ATOM 982 CA SER A 58 81.339 -12.722 3.439 1.00 0.00 C ATOM 983 C SER A 58 80.767 -12.940 2.028 1.00 0.00 C ATOM 984 O SER A 58 80.972 -12.116 1.159 1.00 0.00 O ATOM 985 CB SER A 58 80.249 -12.202 4.395 1.00 0.00 C ATOM 986 OG SER A 58 80.281 -12.964 5.595 1.00 0.00 O ATOM 0 H SER A 58 82.111 -10.740 3.388 1.00 0.00 H new ATOM 0 HA SER A 58 81.717 -13.666 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.414 -11.147 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.268 -12.281 3.926 1.00 0.00 H new ATOM 0 HG SER A 58 79.591 -12.637 6.209 1.00 0.00 H new ATOM 992 N PRO A 59 80.068 -14.030 1.829 1.00 0.00 N ATOM 993 CA PRO A 59 79.474 -14.327 0.513 1.00 0.00 C ATOM 994 C PRO A 59 78.497 -13.211 0.109 1.00 0.00 C ATOM 995 O PRO A 59 77.836 -13.299 -0.907 1.00 0.00 O ATOM 996 CB PRO A 59 78.734 -15.672 0.715 1.00 0.00 C ATOM 997 CG PRO A 59 78.776 -15.993 2.235 1.00 0.00 C ATOM 998 CD PRO A 59 79.807 -15.045 2.872 1.00 0.00 C ATOM 0 HA PRO A 59 80.217 -14.388 -0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 59 77.704 -15.601 0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.213 -16.465 0.140 1.00 0.00 H new ATOM 0 HG2 PRO A 59 77.794 -15.852 2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.056 -17.033 2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.418 -14.588 3.782 1.00 0.00 H new ATOM 0 HD3 PRO A 59 80.718 -15.576 3.146 1.00 0.00 H new ATOM 1006 N LYS A 60 78.377 -12.174 0.902 1.00 0.00 N ATOM 1007 CA LYS A 60 77.414 -11.087 0.552 1.00 0.00 C ATOM 1008 C LYS A 60 77.848 -9.744 1.144 1.00 0.00 C ATOM 1009 O LYS A 60 77.400 -8.704 0.706 1.00 0.00 O ATOM 1010 CB LYS A 60 76.055 -11.454 1.136 1.00 0.00 C ATOM 1011 CG LYS A 60 76.166 -11.578 2.664 1.00 0.00 C ATOM 1012 CD LYS A 60 75.049 -12.477 3.195 1.00 0.00 C ATOM 1013 CE LYS A 60 74.925 -12.301 4.710 1.00 0.00 C ATOM 1014 NZ LYS A 60 74.098 -13.405 5.273 1.00 0.00 N ATOM 0 H LYS A 60 78.899 -12.035 1.767 1.00 0.00 H new ATOM 0 HA LYS A 60 77.375 -10.989 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.319 -10.694 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.707 -12.395 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.137 -11.992 2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.101 -10.592 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 60 74.105 -12.226 2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 60 75.262 -13.519 2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 60 75.914 -12.303 5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 60 74.469 -11.338 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 74.014 -13.285 6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 73.151 -13.383 4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 74.551 -14.318 5.067 1.00 0.00 H new ATOM 1028 N SER A 61 78.684 -9.753 2.150 1.00 0.00 N ATOM 1029 CA SER A 61 79.115 -8.461 2.791 1.00 0.00 C ATOM 1030 C SER A 61 80.642 -8.372 2.899 1.00 0.00 C ATOM 1031 O SER A 61 81.353 -9.350 2.776 1.00 0.00 O ATOM 1032 CB SER A 61 78.508 -8.382 4.194 1.00 0.00 C ATOM 1033 OG SER A 61 78.664 -9.636 4.845 1.00 0.00 O ATOM 0 H SER A 61 79.090 -10.595 2.559 1.00 0.00 H new ATOM 0 HA SER A 61 78.769 -7.634 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.997 -7.597 4.771 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.452 -8.121 4.131 1.00 0.00 H new ATOM 0 HG SER A 61 78.278 -9.588 5.744 1.00 0.00 H new ATOM 1039 N PHE A 62 81.135 -7.181 3.140 1.00 0.00 N ATOM 1040 CA PHE A 62 82.610 -6.952 3.280 1.00 0.00 C ATOM 1041 C PHE A 62 82.841 -6.099 4.531 1.00 0.00 C ATOM 1042 O PHE A 62 82.081 -5.194 4.811 1.00 0.00 O ATOM 1043 CB PHE A 62 83.129 -6.212 2.039 1.00 0.00 C ATOM 1044 CG PHE A 62 84.623 -5.948 2.149 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.523 -7.014 2.310 1.00 0.00 C ATOM 1046 CD2 PHE A 62 85.112 -4.634 2.085 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.897 -6.765 2.406 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.488 -4.390 2.180 1.00 0.00 C ATOM 1049 CZ PHE A 62 87.379 -5.455 2.341 1.00 0.00 C ATOM 0 H PHE A 62 80.567 -6.341 3.248 1.00 0.00 H new ATOM 0 HA PHE A 62 83.140 -7.900 3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.925 -6.803 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.596 -5.268 1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.154 -8.028 2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 62 84.426 -3.809 1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.586 -7.587 2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.861 -3.378 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.440 -5.265 2.415 1.00 0.00 H new ATOM 1059 N THR A 63 83.865 -6.387 5.299 1.00 0.00 N ATOM 1060 CA THR A 63 84.123 -5.599 6.549 1.00 0.00 C ATOM 1061 C THR A 63 85.601 -5.213 6.622 1.00 0.00 C ATOM 1062 O THR A 63 86.464 -5.964 6.228 1.00 0.00 O ATOM 1063 CB THR A 63 83.763 -6.469 7.764 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.353 -6.612 7.838 1.00 0.00 O ATOM 1065 CG2 THR A 63 84.278 -5.822 9.055 1.00 0.00 C ATOM 0 H THR A 63 84.534 -7.134 5.115 1.00 0.00 H new ATOM 0 HA THR A 63 83.518 -4.693 6.544 1.00 0.00 H new ATOM 0 HB THR A 63 84.230 -7.447 7.650 1.00 0.00 H new ATOM 0 HG1 THR A 63 82.121 -7.168 8.611 1.00 0.00 H new ATOM 0 HG21 THR A 63 84.015 -6.450 9.906 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.362 -5.717 9.002 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.824 -4.839 9.175 1.00 0.00 H new ATOM 1073 N LEU A 64 85.894 -4.048 7.145 1.00 0.00 N ATOM 1074 CA LEU A 64 87.319 -3.602 7.279 1.00 0.00 C ATOM 1075 C LEU A 64 87.492 -2.949 8.654 1.00 0.00 C ATOM 1076 O LEU A 64 86.541 -2.483 9.243 1.00 0.00 O ATOM 1077 CB LEU A 64 87.680 -2.601 6.170 1.00 0.00 C ATOM 1078 CG LEU A 64 86.475 -1.675 5.868 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.974 -0.289 5.438 1.00 0.00 C ATOM 1080 CD2 LEU A 64 85.615 -2.273 4.737 1.00 0.00 C ATOM 0 H LEU A 64 85.203 -3.381 7.488 1.00 0.00 H new ATOM 0 HA LEU A 64 87.983 -4.461 7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.539 -2.003 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.970 -3.138 5.267 1.00 0.00 H new ATOM 0 HG LEU A 64 85.873 -1.584 6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 64 86.121 0.356 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.570 0.148 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.586 -0.385 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.771 -1.613 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 64 86.220 -2.377 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.245 -3.252 5.040 1.00 0.00 H new ATOM 1092 N ASP A 65 88.696 -2.927 9.174 1.00 0.00 N ATOM 1093 CA ASP A 65 88.936 -2.320 10.530 1.00 0.00 C ATOM 1094 C ASP A 65 90.107 -1.335 10.476 1.00 0.00 C ATOM 1095 O ASP A 65 91.144 -1.620 9.916 1.00 0.00 O ATOM 1096 CB ASP A 65 89.278 -3.427 11.529 1.00 0.00 C ATOM 1097 CG ASP A 65 89.332 -2.834 12.937 1.00 0.00 C ATOM 1098 OD1 ASP A 65 88.517 -1.974 13.227 1.00 0.00 O ATOM 1099 OD2 ASP A 65 90.187 -3.249 13.702 1.00 0.00 O ATOM 0 H ASP A 65 89.528 -3.303 8.719 1.00 0.00 H new ATOM 0 HA ASP A 65 88.033 -1.793 10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 65 88.530 -4.218 11.483 1.00 0.00 H new ATOM 0 HB3 ASP A 65 90.237 -3.879 11.275 1.00 0.00 H new ATOM 1104 N PHE A 66 89.954 -0.182 11.081 1.00 0.00 N ATOM 1105 CA PHE A 66 91.062 0.824 11.099 1.00 0.00 C ATOM 1106 C PHE A 66 91.734 0.774 12.467 1.00 0.00 C ATOM 1107 O PHE A 66 92.750 1.399 12.700 1.00 0.00 O ATOM 1108 CB PHE A 66 90.495 2.230 10.896 1.00 0.00 C ATOM 1109 CG PHE A 66 89.689 2.279 9.620 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.329 2.129 8.385 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.302 2.479 9.672 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.583 2.179 7.202 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.559 2.528 8.490 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.199 2.378 7.256 1.00 0.00 C ATOM 0 H PHE A 66 89.104 0.107 11.566 1.00 0.00 H new ATOM 0 HA PHE A 66 91.771 0.597 10.303 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.867 2.504 11.744 1.00 0.00 H new ATOM 0 HB3 PHE A 66 91.307 2.956 10.852 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.397 1.975 8.345 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.808 2.595 10.626 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.075 2.064 6.248 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.491 2.682 8.529 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.624 2.416 6.343 1.00 0.00 H new ATOM 1124 N GLY A 67 91.154 0.042 13.380 1.00 0.00 N ATOM 1125 CA GLY A 67 91.724 -0.053 14.757 1.00 0.00 C ATOM 1126 C GLY A 67 90.930 0.870 15.682 1.00 0.00 C ATOM 1127 O GLY A 67 91.012 0.776 16.890 1.00 0.00 O ATOM 0 H GLY A 67 90.302 -0.499 13.230 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.675 -1.081 15.116 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.776 0.232 14.751 1.00 0.00 H new ATOM 1131 N ASP A 68 90.155 1.761 15.120 1.00 0.00 N ATOM 1132 CA ASP A 68 89.351 2.688 15.966 1.00 0.00 C ATOM 1133 C ASP A 68 88.161 1.927 16.563 1.00 0.00 C ATOM 1134 O ASP A 68 87.160 1.714 15.917 1.00 0.00 O ATOM 1135 CB ASP A 68 88.853 3.855 15.108 1.00 0.00 C ATOM 1136 CG ASP A 68 89.945 4.261 14.116 1.00 0.00 C ATOM 1137 OD1 ASP A 68 91.093 4.328 14.524 1.00 0.00 O ATOM 1138 OD2 ASP A 68 89.614 4.498 12.966 1.00 0.00 O ATOM 0 H ASP A 68 90.045 1.886 14.114 1.00 0.00 H new ATOM 0 HA ASP A 68 89.967 3.079 16.776 1.00 0.00 H new ATOM 0 HB2 ASP A 68 87.949 3.566 14.572 1.00 0.00 H new ATOM 0 HB3 ASP A 68 88.591 4.701 15.743 1.00 0.00 H new ATOM 1143 N TYR A 69 88.273 1.508 17.790 1.00 0.00 N ATOM 1144 CA TYR A 69 87.165 0.748 18.440 1.00 0.00 C ATOM 1145 C TYR A 69 85.801 1.368 18.103 1.00 0.00 C ATOM 1146 O TYR A 69 84.785 0.703 18.148 1.00 0.00 O ATOM 1147 CB TYR A 69 87.372 0.772 19.956 1.00 0.00 C ATOM 1148 CG TYR A 69 86.180 0.146 20.637 1.00 0.00 C ATOM 1149 CD1 TYR A 69 86.102 -1.243 20.769 1.00 0.00 C ATOM 1150 CD2 TYR A 69 85.154 0.958 21.132 1.00 0.00 C ATOM 1151 CE1 TYR A 69 84.996 -1.825 21.399 1.00 0.00 C ATOM 1152 CE2 TYR A 69 84.047 0.378 21.762 1.00 0.00 C ATOM 1153 CZ TYR A 69 83.968 -1.014 21.896 1.00 0.00 C ATOM 1154 OH TYR A 69 82.877 -1.587 22.517 1.00 0.00 O ATOM 0 H TYR A 69 89.092 1.660 18.379 1.00 0.00 H new ATOM 0 HA TYR A 69 87.177 -0.277 18.069 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.280 0.230 20.218 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.503 1.798 20.300 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.895 -1.867 20.385 1.00 0.00 H new ATOM 0 HD2 TYR A 69 85.216 2.031 21.028 1.00 0.00 H new ATOM 0 HE1 TYR A 69 84.935 -2.898 21.502 1.00 0.00 H new ATOM 0 HE2 TYR A 69 83.254 1.003 22.145 1.00 0.00 H new ATOM 0 HH TYR A 69 82.257 -0.884 22.804 1.00 0.00 H new ATOM 1164 N GLN A 70 85.761 2.634 17.791 1.00 0.00 N ATOM 1165 CA GLN A 70 84.450 3.290 17.482 1.00 0.00 C ATOM 1166 C GLN A 70 84.101 3.164 15.992 1.00 0.00 C ATOM 1167 O GLN A 70 83.135 2.522 15.628 1.00 0.00 O ATOM 1168 CB GLN A 70 84.517 4.774 17.875 1.00 0.00 C ATOM 1169 CG GLN A 70 85.681 5.479 17.155 1.00 0.00 C ATOM 1170 CD GLN A 70 86.207 6.637 18.013 1.00 0.00 C ATOM 1171 OE1 GLN A 70 87.390 6.724 18.277 1.00 0.00 O ATOM 1172 NE2 GLN A 70 85.370 7.532 18.462 1.00 0.00 N ATOM 0 H GLN A 70 86.576 3.245 17.736 1.00 0.00 H new ATOM 0 HA GLN A 70 83.671 2.787 18.055 1.00 0.00 H new ATOM 0 HB2 GLN A 70 83.577 5.264 17.622 1.00 0.00 H new ATOM 0 HB3 GLN A 70 84.643 4.864 18.954 1.00 0.00 H new ATOM 0 HG2 GLN A 70 86.483 4.767 16.960 1.00 0.00 H new ATOM 0 HG3 GLN A 70 85.347 5.855 16.188 1.00 0.00 H new ATOM 0 HE21 GLN A 70 84.377 7.458 18.240 1.00 0.00 H new ATOM 0 HE22 GLN A 70 85.709 8.305 19.035 1.00 0.00 H new ATOM 1181 N ASP A 71 84.859 3.788 15.129 1.00 0.00 N ATOM 1182 CA ASP A 71 84.554 3.726 13.665 1.00 0.00 C ATOM 1183 C ASP A 71 85.409 2.651 13.000 1.00 0.00 C ATOM 1184 O ASP A 71 85.279 2.374 11.824 1.00 0.00 O ATOM 1185 CB ASP A 71 84.876 5.083 13.046 1.00 0.00 C ATOM 1186 CG ASP A 71 84.206 5.201 11.675 1.00 0.00 C ATOM 1187 OD1 ASP A 71 84.663 4.543 10.755 1.00 0.00 O ATOM 1188 OD2 ASP A 71 83.246 5.947 11.569 1.00 0.00 O ATOM 0 H ASP A 71 85.680 4.341 15.374 1.00 0.00 H new ATOM 0 HA ASP A 71 83.502 3.482 13.518 1.00 0.00 H new ATOM 0 HB2 ASP A 71 84.529 5.883 13.700 1.00 0.00 H new ATOM 0 HB3 ASP A 71 85.955 5.200 12.945 1.00 0.00 H new ATOM 1193 N GLY A 72 86.289 2.063 13.750 1.00 0.00 N ATOM 1194 CA GLY A 72 87.189 1.010 13.200 1.00 0.00 C ATOM 1195 C GLY A 72 86.434 0.085 12.253 1.00 0.00 C ATOM 1196 O GLY A 72 86.673 0.069 11.062 1.00 0.00 O ATOM 0 H GLY A 72 86.429 2.268 14.739 1.00 0.00 H new ATOM 0 HA2 GLY A 72 88.020 1.477 12.672 1.00 0.00 H new ATOM 0 HA3 GLY A 72 87.617 0.429 14.017 1.00 0.00 H new ATOM 1200 N TYR A 73 85.544 -0.699 12.774 1.00 0.00 N ATOM 1201 CA TYR A 73 84.793 -1.648 11.909 1.00 0.00 C ATOM 1202 C TYR A 73 83.808 -0.905 11.005 1.00 0.00 C ATOM 1203 O TYR A 73 82.892 -0.246 11.455 1.00 0.00 O ATOM 1204 CB TYR A 73 84.039 -2.651 12.782 1.00 0.00 C ATOM 1205 CG TYR A 73 84.884 -3.006 13.985 1.00 0.00 C ATOM 1206 CD1 TYR A 73 86.210 -3.421 13.812 1.00 0.00 C ATOM 1207 CD2 TYR A 73 84.340 -2.922 15.272 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.991 -3.752 14.926 1.00 0.00 C ATOM 1209 CE2 TYR A 73 85.121 -3.252 16.386 1.00 0.00 C ATOM 1210 CZ TYR A 73 86.446 -3.667 16.213 1.00 0.00 C ATOM 1211 OH TYR A 73 87.216 -3.993 17.311 1.00 0.00 O ATOM 0 H TYR A 73 85.300 -0.727 13.764 1.00 0.00 H new ATOM 0 HA TYR A 73 85.506 -2.175 11.276 1.00 0.00 H new ATOM 0 HB2 TYR A 73 83.088 -2.226 13.104 1.00 0.00 H new ATOM 0 HB3 TYR A 73 83.809 -3.549 12.208 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.630 -3.486 12.819 1.00 0.00 H new ATOM 0 HD2 TYR A 73 83.317 -2.602 15.406 1.00 0.00 H new ATOM 0 HE1 TYR A 73 88.014 -4.073 14.793 1.00 0.00 H new ATOM 0 HE2 TYR A 73 84.701 -3.186 17.379 1.00 0.00 H new ATOM 0 HH TYR A 73 86.686 -3.879 18.128 1.00 0.00 H new ATOM 1221 N TYR A 74 83.992 -1.044 9.723 1.00 0.00 N ATOM 1222 CA TYR A 74 83.091 -0.403 8.727 1.00 0.00 C ATOM 1223 C TYR A 74 82.729 -1.462 7.690 1.00 0.00 C ATOM 1224 O TYR A 74 83.553 -1.858 6.893 1.00 0.00 O ATOM 1225 CB TYR A 74 83.828 0.747 8.045 1.00 0.00 C ATOM 1226 CG TYR A 74 82.948 1.372 6.987 1.00 0.00 C ATOM 1227 CD1 TYR A 74 82.012 2.351 7.339 1.00 0.00 C ATOM 1228 CD2 TYR A 74 83.077 0.976 5.650 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.204 2.933 6.354 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.269 1.557 4.666 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.332 2.536 5.018 1.00 0.00 C ATOM 1232 OH TYR A 74 80.536 3.110 4.048 1.00 0.00 O ATOM 0 H TYR A 74 84.750 -1.590 9.314 1.00 0.00 H new ATOM 0 HA TYR A 74 82.195 -0.012 9.208 1.00 0.00 H new ATOM 0 HB2 TYR A 74 84.111 1.497 8.784 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.750 0.381 7.593 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.913 2.658 8.370 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.801 0.222 5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.482 3.689 6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.368 1.250 3.635 1.00 0.00 H new ATOM 0 HH TYR A 74 79.620 2.773 4.135 1.00 0.00 H new ATOM 1242 N SER A 75 81.517 -1.945 7.711 1.00 0.00 N ATOM 1243 CA SER A 75 81.102 -3.010 6.744 1.00 0.00 C ATOM 1244 C SER A 75 79.858 -2.589 5.964 1.00 0.00 C ATOM 1245 O SER A 75 79.101 -1.732 6.373 1.00 0.00 O ATOM 1246 CB SER A 75 80.796 -4.289 7.520 1.00 0.00 C ATOM 1247 OG SER A 75 79.504 -4.185 8.105 1.00 0.00 O ATOM 0 H SER A 75 80.789 -1.648 8.360 1.00 0.00 H new ATOM 0 HA SER A 75 81.914 -3.174 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 75 80.838 -5.151 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 75 81.547 -4.447 8.294 1.00 0.00 H new ATOM 0 HG SER A 75 79.303 -5.005 8.603 1.00 0.00 H new ATOM 1253 N VAL A 76 79.655 -3.210 4.835 1.00 0.00 N ATOM 1254 CA VAL A 76 78.473 -2.895 3.982 1.00 0.00 C ATOM 1255 C VAL A 76 78.116 -4.139 3.167 1.00 0.00 C ATOM 1256 O VAL A 76 78.835 -5.118 3.174 1.00 0.00 O ATOM 1257 CB VAL A 76 78.816 -1.747 3.032 1.00 0.00 C ATOM 1258 CG1 VAL A 76 79.048 -0.467 3.837 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.087 -2.097 2.257 1.00 0.00 C ATOM 0 H VAL A 76 80.268 -3.934 4.461 1.00 0.00 H new ATOM 0 HA VAL A 76 77.631 -2.601 4.608 1.00 0.00 H new ATOM 0 HB VAL A 76 77.992 -1.592 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.292 0.350 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.144 -0.219 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.873 -0.619 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.336 -1.281 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.909 -2.250 2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.924 -3.009 1.683 1.00 0.00 H new ATOM 1269 N GLN A 77 77.015 -4.118 2.468 1.00 0.00 N ATOM 1270 CA GLN A 77 76.629 -5.309 1.666 1.00 0.00 C ATOM 1271 C GLN A 77 77.443 -5.340 0.370 1.00 0.00 C ATOM 1272 O GLN A 77 77.530 -4.361 -0.344 1.00 0.00 O ATOM 1273 CB GLN A 77 75.139 -5.230 1.329 1.00 0.00 C ATOM 1274 CG GLN A 77 74.308 -5.528 2.580 1.00 0.00 C ATOM 1275 CD GLN A 77 72.834 -5.673 2.193 1.00 0.00 C ATOM 1276 OE1 GLN A 77 72.214 -6.676 2.485 1.00 0.00 O ATOM 1277 NE2 GLN A 77 72.244 -4.707 1.544 1.00 0.00 N ATOM 0 H GLN A 77 76.369 -3.330 2.418 1.00 0.00 H new ATOM 0 HA GLN A 77 76.828 -6.214 2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.895 -4.239 0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.896 -5.944 0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.662 -6.443 3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 77 74.426 -4.725 3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 77 72.765 -3.865 1.299 1.00 0.00 H new ATOM 0 HE22 GLN A 77 71.262 -4.794 1.282 1.00 0.00 H new ATOM 1286 N THR A 78 78.034 -6.468 0.060 1.00 0.00 N ATOM 1287 CA THR A 78 78.845 -6.588 -1.187 1.00 0.00 C ATOM 1288 C THR A 78 78.686 -7.993 -1.760 1.00 0.00 C ATOM 1289 O THR A 78 78.950 -8.978 -1.101 1.00 0.00 O ATOM 1290 CB THR A 78 80.328 -6.360 -0.879 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.840 -7.486 -0.179 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.504 -5.106 -0.021 1.00 0.00 C ATOM 0 H THR A 78 77.987 -7.317 0.624 1.00 0.00 H new ATOM 0 HA THR A 78 78.499 -5.841 -1.901 1.00 0.00 H new ATOM 0 HB THR A 78 80.870 -6.227 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.123 -8.140 -0.043 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.563 -4.956 0.191 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.115 -4.241 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.960 -5.227 0.916 1.00 0.00 H new ATOM 1300 N THR A 79 78.273 -8.091 -2.984 1.00 0.00 N ATOM 1301 CA THR A 79 78.112 -9.430 -3.610 1.00 0.00 C ATOM 1302 C THR A 79 79.495 -9.995 -3.922 1.00 0.00 C ATOM 1303 O THR A 79 79.670 -11.186 -4.084 1.00 0.00 O ATOM 1304 CB THR A 79 77.323 -9.290 -4.909 1.00 0.00 C ATOM 1305 OG1 THR A 79 76.089 -8.637 -4.646 1.00 0.00 O ATOM 1306 CG2 THR A 79 77.059 -10.675 -5.500 1.00 0.00 C ATOM 0 H THR A 79 78.038 -7.300 -3.584 1.00 0.00 H new ATOM 0 HA THR A 79 77.579 -10.096 -2.931 1.00 0.00 H new ATOM 0 HB THR A 79 77.898 -8.700 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.583 -8.545 -5.480 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.496 -10.573 -6.428 1.00 0.00 H new ATOM 0 HG22 THR A 79 78.008 -11.170 -5.704 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.485 -11.270 -4.790 1.00 0.00 H new ATOM 1314 N GLU A 80 80.476 -9.133 -4.012 1.00 0.00 N ATOM 1315 CA GLU A 80 81.871 -9.576 -4.320 1.00 0.00 C ATOM 1316 C GLU A 80 82.814 -9.093 -3.221 1.00 0.00 C ATOM 1317 O GLU A 80 83.941 -8.718 -3.474 1.00 0.00 O ATOM 1318 CB GLU A 80 82.307 -8.975 -5.656 1.00 0.00 C ATOM 1319 CG GLU A 80 81.240 -9.258 -6.715 1.00 0.00 C ATOM 1320 CD GLU A 80 81.799 -8.942 -8.103 1.00 0.00 C ATOM 1321 OE1 GLU A 80 82.817 -8.274 -8.172 1.00 0.00 O ATOM 1322 OE2 GLU A 80 81.199 -9.376 -9.074 1.00 0.00 O ATOM 0 H GLU A 80 80.368 -8.127 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 80 81.903 -10.664 -4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.456 -7.900 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.262 -9.400 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 80 80.932 -10.302 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 80 80.353 -8.654 -6.523 1.00 0.00 H new ATOM 1329 N GLY A 81 82.361 -9.103 -2.002 1.00 0.00 N ATOM 1330 CA GLY A 81 83.229 -8.647 -0.882 1.00 0.00 C ATOM 1331 C GLY A 81 84.566 -9.384 -0.939 1.00 0.00 C ATOM 1332 O GLY A 81 85.510 -9.034 -0.259 1.00 0.00 O ATOM 0 H GLY A 81 81.426 -9.407 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.392 -7.571 -0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.738 -8.836 0.073 1.00 0.00 H new ATOM 1336 N GLU A 82 84.655 -10.399 -1.751 1.00 0.00 N ATOM 1337 CA GLU A 82 85.930 -11.159 -1.860 1.00 0.00 C ATOM 1338 C GLU A 82 86.899 -10.375 -2.745 1.00 0.00 C ATOM 1339 O GLU A 82 87.989 -10.025 -2.338 1.00 0.00 O ATOM 1340 CB GLU A 82 85.635 -12.531 -2.484 1.00 0.00 C ATOM 1341 CG GLU A 82 86.922 -13.159 -3.020 1.00 0.00 C ATOM 1342 CD GLU A 82 86.729 -14.667 -3.207 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.657 -15.363 -2.208 1.00 0.00 O ATOM 1344 OE2 GLU A 82 86.655 -15.097 -4.346 1.00 0.00 O ATOM 0 H GLU A 82 83.898 -10.736 -2.345 1.00 0.00 H new ATOM 0 HA GLU A 82 86.378 -11.299 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.185 -13.187 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.912 -12.422 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.194 -12.698 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.743 -12.972 -2.328 1.00 0.00 H new ATOM 1351 N GLN A 83 86.502 -10.096 -3.949 1.00 0.00 N ATOM 1352 CA GLN A 83 87.387 -9.331 -4.869 1.00 0.00 C ATOM 1353 C GLN A 83 87.811 -8.053 -4.173 1.00 0.00 C ATOM 1354 O GLN A 83 88.969 -7.684 -4.166 1.00 0.00 O ATOM 1355 CB GLN A 83 86.631 -8.980 -6.151 1.00 0.00 C ATOM 1356 CG GLN A 83 85.995 -10.231 -6.747 1.00 0.00 C ATOM 1357 CD GLN A 83 84.990 -9.833 -7.822 1.00 0.00 C ATOM 1358 OE1 GLN A 83 85.180 -8.861 -8.527 1.00 0.00 O ATOM 1359 NE2 GLN A 83 83.918 -10.554 -7.974 1.00 0.00 N ATOM 0 H GLN A 83 85.599 -10.365 -4.340 1.00 0.00 H new ATOM 0 HA GLN A 83 88.259 -9.933 -5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.861 -8.239 -5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.313 -8.531 -6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.765 -10.874 -7.175 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.498 -10.806 -5.966 1.00 0.00 H new ATOM 0 HE21 GLN A 83 83.763 -11.369 -7.380 1.00 0.00 H new ATOM 0 HE22 GLN A 83 83.233 -10.305 -8.687 1.00 0.00 H new ATOM 1368 N ILE A 84 86.880 -7.384 -3.565 1.00 0.00 N ATOM 1369 CA ILE A 84 87.223 -6.136 -2.841 1.00 0.00 C ATOM 1370 C ILE A 84 88.334 -6.466 -1.846 1.00 0.00 C ATOM 1371 O ILE A 84 89.186 -5.653 -1.550 1.00 0.00 O ATOM 1372 CB ILE A 84 85.987 -5.622 -2.099 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.830 -5.472 -3.093 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.294 -4.263 -1.463 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.624 -4.838 -2.396 1.00 0.00 C ATOM 0 H ILE A 84 85.895 -7.647 -3.538 1.00 0.00 H new ATOM 0 HA ILE A 84 87.556 -5.364 -3.534 1.00 0.00 H new ATOM 0 HB ILE A 84 85.711 -6.329 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.141 -4.854 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.557 -6.447 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.412 -3.900 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.119 -4.369 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.570 -3.551 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.805 -4.734 -3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.307 -5.473 -1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.900 -3.855 -2.014 1.00 0.00 H new ATOM 1387 N ALA A 85 88.333 -7.670 -1.342 1.00 0.00 N ATOM 1388 CA ALA A 85 89.389 -8.086 -0.378 1.00 0.00 C ATOM 1389 C ALA A 85 90.621 -8.549 -1.155 1.00 0.00 C ATOM 1390 O ALA A 85 91.738 -8.444 -0.690 1.00 0.00 O ATOM 1391 CB ALA A 85 88.860 -9.234 0.485 1.00 0.00 C ATOM 0 H ALA A 85 87.641 -8.387 -1.559 1.00 0.00 H new ATOM 0 HA ALA A 85 89.659 -7.247 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.630 -9.542 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 85 87.977 -8.902 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.596 -10.077 -0.153 1.00 0.00 H new ATOM 1397 N GLN A 86 90.422 -9.059 -2.340 1.00 0.00 N ATOM 1398 CA GLN A 86 91.576 -9.526 -3.152 1.00 0.00 C ATOM 1399 C GLN A 86 92.219 -8.319 -3.820 1.00 0.00 C ATOM 1400 O GLN A 86 93.425 -8.210 -3.918 1.00 0.00 O ATOM 1401 CB GLN A 86 91.076 -10.505 -4.212 1.00 0.00 C ATOM 1402 CG GLN A 86 92.246 -11.319 -4.754 1.00 0.00 C ATOM 1403 CD GLN A 86 91.831 -12.026 -6.041 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.772 -11.769 -6.578 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.630 -12.914 -6.561 1.00 0.00 N ATOM 0 H GLN A 86 89.508 -9.172 -2.779 1.00 0.00 H new ATOM 0 HA GLN A 86 92.309 -10.028 -2.521 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.327 -11.170 -3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.592 -9.961 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.098 -10.666 -4.945 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.566 -12.051 -4.013 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.519 -13.128 -6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.367 -13.395 -7.421 1.00 0.00 H new ATOM 1414 N LEU A 87 91.413 -7.402 -4.260 1.00 0.00 N ATOM 1415 CA LEU A 87 91.954 -6.183 -4.902 1.00 0.00 C ATOM 1416 C LEU A 87 92.657 -5.374 -3.821 1.00 0.00 C ATOM 1417 O LEU A 87 93.702 -4.790 -4.030 1.00 0.00 O ATOM 1418 CB LEU A 87 90.799 -5.373 -5.499 1.00 0.00 C ATOM 1419 CG LEU A 87 91.317 -4.045 -6.058 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.426 -4.306 -7.093 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.155 -3.302 -6.725 1.00 0.00 C ATOM 0 H LEU A 87 90.396 -7.446 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 87 92.651 -6.434 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.315 -5.945 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 87 90.044 -5.185 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 87 91.728 -3.443 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.788 -3.356 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.249 -4.840 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 87 92.027 -4.907 -7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.512 -2.354 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.751 -3.910 -7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.374 -3.112 -5.989 1.00 0.00 H new ATOM 1433 N ILE A 88 92.081 -5.362 -2.657 1.00 0.00 N ATOM 1434 CA ILE A 88 92.683 -4.625 -1.518 1.00 0.00 C ATOM 1435 C ILE A 88 93.942 -5.373 -1.076 1.00 0.00 C ATOM 1436 O ILE A 88 95.017 -4.816 -0.989 1.00 0.00 O ATOM 1437 CB ILE A 88 91.661 -4.590 -0.367 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.550 -3.557 -0.671 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.355 -4.248 0.963 1.00 0.00 C ATOM 1440 CD1 ILE A 88 90.971 -2.147 -0.234 1.00 0.00 C ATOM 0 H ILE A 88 91.205 -5.839 -2.443 1.00 0.00 H new ATOM 0 HA ILE A 88 92.944 -3.606 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 88 91.209 -5.578 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.329 -3.559 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 88 89.633 -3.842 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.616 -4.228 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 88 93.110 -5.003 1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.831 -3.271 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 88 90.171 -1.442 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 88 91.167 -2.142 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 88 91.874 -1.855 -0.770 1.00 0.00 H new ATOM 1452 N ALA A 89 93.806 -6.640 -0.802 1.00 0.00 N ATOM 1453 CA ALA A 89 94.980 -7.448 -0.368 1.00 0.00 C ATOM 1454 C ALA A 89 96.064 -7.376 -1.442 1.00 0.00 C ATOM 1455 O ALA A 89 97.211 -7.700 -1.207 1.00 0.00 O ATOM 1456 CB ALA A 89 94.553 -8.904 -0.172 1.00 0.00 C ATOM 0 H ALA A 89 92.927 -7.154 -0.860 1.00 0.00 H new ATOM 0 HA ALA A 89 95.368 -7.055 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.412 -9.495 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.775 -8.956 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 89 94.167 -9.300 -1.112 1.00 0.00 H new ATOM 1462 N GLY A 90 95.702 -6.966 -2.627 1.00 0.00 N ATOM 1463 CA GLY A 90 96.701 -6.885 -3.732 1.00 0.00 C ATOM 1464 C GLY A 90 97.435 -5.541 -3.698 1.00 0.00 C ATOM 1465 O GLY A 90 98.568 -5.443 -4.121 1.00 0.00 O ATOM 0 H GLY A 90 94.755 -6.683 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.419 -7.700 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.200 -7.008 -4.692 1.00 0.00 H new ATOM 1469 N TYR A 91 96.810 -4.499 -3.214 1.00 0.00 N ATOM 1470 CA TYR A 91 97.503 -3.174 -3.181 1.00 0.00 C ATOM 1471 C TYR A 91 98.352 -3.061 -1.912 1.00 0.00 C ATOM 1472 O TYR A 91 99.201 -2.201 -1.802 1.00 0.00 O ATOM 1473 CB TYR A 91 96.465 -2.040 -3.185 1.00 0.00 C ATOM 1474 CG TYR A 91 95.911 -1.812 -4.582 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.768 -1.470 -5.644 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.532 -1.917 -4.810 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.243 -1.245 -6.921 1.00 0.00 C ATOM 1478 CE2 TYR A 91 94.012 -1.688 -6.088 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.866 -1.354 -7.143 1.00 0.00 C ATOM 1480 OH TYR A 91 94.350 -1.128 -8.403 1.00 0.00 O ATOM 0 H TYR A 91 95.860 -4.506 -2.843 1.00 0.00 H new ATOM 0 HA TYR A 91 98.142 -3.093 -4.061 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.651 -2.285 -2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.923 -1.122 -2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.831 -1.381 -5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.870 -2.175 -3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.902 -0.987 -7.737 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.949 -1.769 -6.260 1.00 0.00 H new ATOM 0 HH TYR A 91 93.377 -1.246 -8.384 1.00 0.00 H new ATOM 1490 N ILE A 92 98.120 -3.904 -0.946 1.00 0.00 N ATOM 1491 CA ILE A 92 98.906 -3.819 0.319 1.00 0.00 C ATOM 1492 C ILE A 92 100.245 -4.548 0.171 1.00 0.00 C ATOM 1493 O ILE A 92 101.217 -4.217 0.820 1.00 0.00 O ATOM 1494 CB ILE A 92 98.105 -4.457 1.451 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.768 -3.719 1.587 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.898 -4.343 2.756 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.856 -4.451 2.577 1.00 0.00 C ATOM 0 H ILE A 92 97.422 -4.647 -0.976 1.00 0.00 H new ATOM 0 HA ILE A 92 99.102 -2.770 0.543 1.00 0.00 H new ATOM 0 HB ILE A 92 97.921 -5.509 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.941 -2.698 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.281 -3.652 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.330 -4.797 3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.852 -4.858 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 92 99.077 -3.292 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.910 -3.916 2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.669 -5.463 2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.339 -4.495 3.553 1.00 0.00 H new ATOM 1509 N ASP A 93 100.302 -5.543 -0.670 1.00 0.00 N ATOM 1510 CA ASP A 93 101.572 -6.303 -0.853 1.00 0.00 C ATOM 1511 C ASP A 93 102.472 -5.591 -1.865 1.00 0.00 C ATOM 1512 O ASP A 93 103.663 -5.825 -1.925 1.00 0.00 O ATOM 1513 CB ASP A 93 101.242 -7.705 -1.369 1.00 0.00 C ATOM 1514 CG ASP A 93 100.642 -8.545 -0.239 1.00 0.00 C ATOM 1515 OD1 ASP A 93 100.805 -8.166 0.909 1.00 0.00 O ATOM 1516 OD2 ASP A 93 100.028 -9.556 -0.542 1.00 0.00 O ATOM 0 H ASP A 93 99.521 -5.864 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 93 102.094 -6.367 0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.539 -7.641 -2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.144 -8.184 -1.751 1.00 0.00 H new ATOM 1521 N ILE A 94 101.909 -4.737 -2.674 1.00 0.00 N ATOM 1522 CA ILE A 94 102.723 -4.022 -3.701 1.00 0.00 C ATOM 1523 C ILE A 94 103.335 -2.757 -3.103 1.00 0.00 C ATOM 1524 O ILE A 94 104.333 -2.253 -3.580 1.00 0.00 O ATOM 1525 CB ILE A 94 101.824 -3.648 -4.875 1.00 0.00 C ATOM 1526 CG1 ILE A 94 101.224 -4.924 -5.469 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.650 -2.926 -5.940 1.00 0.00 C ATOM 1528 CD1 ILE A 94 100.094 -4.560 -6.432 1.00 0.00 C ATOM 0 H ILE A 94 100.917 -4.502 -2.669 1.00 0.00 H new ATOM 0 HA ILE A 94 103.528 -4.674 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 94 101.025 -2.990 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.994 -5.490 -5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.845 -5.564 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 94 102.008 -2.659 -6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 94 103.084 -2.022 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.448 -3.582 -6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.668 -5.470 -6.854 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.320 -4.013 -5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.487 -3.937 -7.235 1.00 0.00 H new ATOM 1540 N ILE A 95 102.751 -2.240 -2.061 1.00 0.00 N ATOM 1541 CA ILE A 95 103.307 -1.007 -1.431 1.00 0.00 C ATOM 1542 C ILE A 95 104.424 -1.403 -0.477 1.00 0.00 C ATOM 1543 O ILE A 95 105.390 -0.692 -0.294 1.00 0.00 O ATOM 1544 CB ILE A 95 102.212 -0.286 -0.647 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.481 -1.285 0.257 1.00 0.00 C ATOM 1546 CG2 ILE A 95 101.223 0.346 -1.625 1.00 0.00 C ATOM 1547 CD1 ILE A 95 100.375 -0.567 1.038 1.00 0.00 C ATOM 0 H ILE A 95 101.913 -2.615 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 95 103.690 -0.343 -2.206 1.00 0.00 H new ATOM 0 HB ILE A 95 102.659 0.493 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 95 101.052 -2.087 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 95 102.186 -1.747 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 95 100.440 0.861 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 95 101.746 1.060 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.776 -0.432 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.859 -1.282 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.815 0.219 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.664 -0.126 0.339 1.00 0.00 H new ATOM 1559 N LEU A 96 104.284 -2.538 0.137 1.00 0.00 N ATOM 1560 CA LEU A 96 105.316 -3.010 1.098 1.00 0.00 C ATOM 1561 C LEU A 96 106.521 -3.555 0.322 1.00 0.00 C ATOM 1562 O LEU A 96 107.619 -3.635 0.834 1.00 0.00 O ATOM 1563 CB LEU A 96 104.694 -4.121 1.962 1.00 0.00 C ATOM 1564 CG LEU A 96 104.038 -3.518 3.225 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.935 -4.453 3.732 1.00 0.00 C ATOM 1566 CD2 LEU A 96 105.094 -3.341 4.326 1.00 0.00 C ATOM 0 H LEU A 96 103.491 -3.167 0.014 1.00 0.00 H new ATOM 0 HA LEU A 96 105.652 -2.191 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.949 -4.667 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.462 -4.839 2.251 1.00 0.00 H new ATOM 0 HG LEU A 96 103.608 -2.549 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.475 -4.024 4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 96 102.179 -4.577 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 96 103.365 -5.424 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.626 -2.916 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.528 -4.310 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.879 -2.672 3.973 1.00 0.00 H new ATOM 1578 N LYS A 97 106.317 -3.931 -0.906 1.00 0.00 N ATOM 1579 CA LYS A 97 107.438 -4.474 -1.720 1.00 0.00 C ATOM 1580 C LYS A 97 108.409 -3.347 -2.075 1.00 0.00 C ATOM 1581 O LYS A 97 109.589 -3.418 -1.796 1.00 0.00 O ATOM 1582 CB LYS A 97 106.876 -5.078 -3.007 1.00 0.00 C ATOM 1583 CG LYS A 97 107.978 -5.839 -3.766 1.00 0.00 C ATOM 1584 CD LYS A 97 107.627 -5.916 -5.253 1.00 0.00 C ATOM 1585 CE LYS A 97 108.764 -6.600 -6.015 1.00 0.00 C ATOM 1586 NZ LYS A 97 108.419 -6.672 -7.464 1.00 0.00 N ATOM 0 H LYS A 97 105.417 -3.886 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 97 107.964 -5.239 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 97 106.054 -5.754 -2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 97 106.468 -4.289 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 97 108.936 -5.336 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 97 108.087 -6.843 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 97 106.699 -6.471 -5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 97 107.461 -4.915 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 97 109.693 -6.046 -5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 97 108.930 -7.602 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 109.192 -7.137 -7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 107.543 -7.219 -7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 108.282 -5.711 -7.836 1.00 0.00 H new ATOM 1600 N LYS A 98 107.921 -2.313 -2.698 1.00 0.00 N ATOM 1601 CA LYS A 98 108.808 -1.184 -3.084 1.00 0.00 C ATOM 1602 C LYS A 98 109.653 -0.760 -1.883 1.00 0.00 C ATOM 1603 O LYS A 98 110.811 -0.417 -2.017 1.00 0.00 O ATOM 1604 CB LYS A 98 107.944 -0.011 -3.546 1.00 0.00 C ATOM 1605 CG LYS A 98 107.088 -0.442 -4.744 1.00 0.00 C ATOM 1606 CD LYS A 98 105.912 0.524 -4.915 1.00 0.00 C ATOM 1607 CE LYS A 98 106.434 1.927 -5.235 1.00 0.00 C ATOM 1608 NZ LYS A 98 107.426 1.850 -6.345 1.00 0.00 N ATOM 0 H LYS A 98 106.941 -2.201 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 98 109.470 -1.494 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 98 107.303 0.325 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 98 108.576 0.833 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 98 107.694 -0.455 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 98 106.718 -1.456 -4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 98 105.259 0.178 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 98 105.314 0.548 -4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 98 105.607 2.578 -5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 98 106.896 2.365 -4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 107.538 2.790 -6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 108.342 1.529 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 107.091 1.177 -7.064 1.00 0.00 H new ATOM 1622 N LYS A 99 109.084 -0.779 -0.711 1.00 0.00 N ATOM 1623 CA LYS A 99 109.855 -0.375 0.496 1.00 0.00 C ATOM 1624 C LYS A 99 111.082 -1.275 0.648 1.00 0.00 C ATOM 1625 O LYS A 99 112.108 -0.861 1.151 1.00 0.00 O ATOM 1626 CB LYS A 99 108.970 -0.503 1.733 1.00 0.00 C ATOM 1627 CG LYS A 99 107.856 0.543 1.674 1.00 0.00 C ATOM 1628 CD LYS A 99 107.115 0.581 3.011 1.00 0.00 C ATOM 1629 CE LYS A 99 106.150 1.768 3.026 1.00 0.00 C ATOM 1630 NZ LYS A 99 105.069 1.541 2.026 1.00 0.00 N ATOM 0 H LYS A 99 108.118 -1.057 -0.537 1.00 0.00 H new ATOM 0 HA LYS A 99 110.179 0.660 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 99 108.541 -1.504 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 99 109.566 -0.365 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 99 108.276 1.524 1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 99 107.161 0.304 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 99 106.567 -0.349 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 99 107.827 0.667 3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 99 105.721 1.889 4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 99 106.686 2.689 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 104.143 1.614 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 105.135 2.257 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 105.173 0.593 1.611 1.00 0.00 H new ATOM 1644 N LYS A 100 110.986 -2.503 0.220 1.00 0.00 N ATOM 1645 CA LYS A 100 112.149 -3.427 0.342 1.00 0.00 C ATOM 1646 C LYS A 100 113.226 -3.027 -0.668 1.00 0.00 C ATOM 1647 O LYS A 100 112.995 -3.204 -1.853 1.00 0.00 O ATOM 1648 CB LYS A 100 111.695 -4.861 0.061 1.00 0.00 C ATOM 1649 CG LYS A 100 110.700 -5.301 1.137 1.00 0.00 C ATOM 1650 CD LYS A 100 110.469 -6.809 1.030 1.00 0.00 C ATOM 1651 CE LYS A 100 109.404 -7.236 2.041 1.00 0.00 C ATOM 1652 NZ LYS A 100 109.122 -8.690 1.881 1.00 0.00 N ATOM 1653 OXT LYS A 100 114.264 -2.550 -0.239 1.00 0.00 O ATOM 0 H LYS A 100 110.153 -2.907 -0.209 1.00 0.00 H new ATOM 0 HA LYS A 100 112.556 -3.366 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.232 -4.921 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.555 -5.531 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.083 -5.050 2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 100 109.757 -4.768 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 100 110.151 -7.068 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 100 111.400 -7.344 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 100 109.747 -7.031 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 100 108.492 -6.659 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 108.398 -8.981 2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 108.778 -8.873 0.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 109.994 -9.233 2.046 1.00 0.00 H new TER 1667 LYS A 100 ATOM 1668 N SER B 1 87.758 -16.957 12.085 1.00 0.00 N ATOM 1669 CA SER B 1 87.144 -16.451 10.825 1.00 0.00 C ATOM 1670 C SER B 1 87.575 -15.001 10.592 1.00 0.00 C ATOM 1671 O SER B 1 86.841 -14.074 10.871 1.00 0.00 O ATOM 1672 CB SER B 1 85.621 -16.517 10.938 1.00 0.00 C ATOM 1673 OG SER B 1 85.180 -15.557 11.889 1.00 0.00 O ATOM 0 H1 SER B 1 87.465 -17.942 12.243 1.00 0.00 H new ATOM 0 H2 SER B 1 88.794 -16.912 12.009 1.00 0.00 H new ATOM 0 H3 SER B 1 87.444 -16.370 12.884 1.00 0.00 H new ATOM 0 HA SER B 1 87.474 -17.067 9.988 1.00 0.00 H new ATOM 0 HB2 SER B 1 85.164 -16.322 9.968 1.00 0.00 H new ATOM 0 HB3 SER B 1 85.310 -17.517 11.242 1.00 0.00 H new ATOM 0 HG SER B 1 85.432 -14.659 11.588 1.00 0.00 H new ATOM 1681 N TRP B 2 88.758 -14.797 10.082 1.00 0.00 N ATOM 1682 CA TRP B 2 89.234 -13.407 9.831 1.00 0.00 C ATOM 1683 C TRP B 2 90.489 -13.453 8.950 1.00 0.00 C ATOM 1684 O TRP B 2 90.959 -14.505 8.566 1.00 0.00 O ATOM 1685 CB TRP B 2 89.573 -12.728 11.175 1.00 0.00 C ATOM 1686 CG TRP B 2 88.359 -12.071 11.752 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.658 -12.526 12.814 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.707 -10.841 11.326 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.611 -11.656 13.064 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.601 -10.600 12.173 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.967 -9.923 10.294 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.782 -9.483 12.003 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 87.146 -8.798 10.121 1.00 0.00 C ATOM 1694 CH2 TRP B 2 86.056 -8.579 10.974 1.00 0.00 C ATOM 0 H TRP B 2 89.417 -15.533 9.828 1.00 0.00 H new ATOM 0 HA TRP B 2 88.453 -12.839 9.326 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.961 -13.468 11.875 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.359 -11.987 11.027 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.879 -13.422 13.376 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.930 -11.779 13.814 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.804 -10.084 9.630 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.942 -9.319 12.662 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.355 -8.097 9.326 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.428 -7.711 10.836 1.00 0.00 H new ATOM 1705 N VAL B 3 91.033 -12.308 8.643 1.00 0.00 N ATOM 1706 CA VAL B 3 92.259 -12.245 7.805 1.00 0.00 C ATOM 1707 C VAL B 3 92.996 -10.946 8.143 1.00 0.00 C ATOM 1708 O VAL B 3 92.388 -9.909 8.321 1.00 0.00 O ATOM 1709 CB VAL B 3 91.873 -12.286 6.321 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.670 -11.379 6.084 1.00 0.00 C ATOM 1711 CG2 VAL B 3 93.057 -11.821 5.456 1.00 0.00 C ATOM 0 H VAL B 3 90.673 -11.402 8.943 1.00 0.00 H new ATOM 0 HA VAL B 3 92.909 -13.097 8.005 1.00 0.00 H new ATOM 0 HB VAL B 3 91.616 -13.308 6.045 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.395 -11.407 5.030 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.830 -11.723 6.688 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.924 -10.357 6.365 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.774 -11.853 4.404 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.328 -10.801 5.728 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.910 -12.479 5.623 1.00 0.00 H new HETATM 1721 N PTR B 4 94.299 -11.004 8.259 1.00 0.00 N HETATM 1722 CA PTR B 4 95.094 -9.784 8.617 1.00 0.00 C HETATM 1723 C PTR B 4 95.965 -9.362 7.432 1.00 0.00 C HETATM 1724 O PTR B 4 96.060 -10.055 6.438 1.00 0.00 O HETATM 1725 CB PTR B 4 95.992 -10.111 9.821 1.00 0.00 C HETATM 1726 CG PTR B 4 95.181 -10.060 11.102 1.00 0.00 C HETATM 1727 CD1 PTR B 4 94.097 -10.933 11.283 1.00 0.00 C HETATM 1728 CD2 PTR B 4 95.513 -9.144 12.112 1.00 0.00 C HETATM 1729 CE1 PTR B 4 93.352 -10.888 12.467 1.00 0.00 C HETATM 1730 CE2 PTR B 4 94.766 -9.101 13.295 1.00 0.00 C HETATM 1731 CZ PTR B 4 93.685 -9.973 13.472 1.00 0.00 C HETATM 1732 OH PTR B 4 92.896 -9.927 14.724 1.00 0.00 O HETATM 1733 P PTR B 4 93.540 -10.797 15.733 1.00 0.00 P HETATM 1734 O1P PTR B 4 92.968 -10.511 17.068 1.00 0.00 O HETATM 1735 O2P PTR B 4 94.996 -10.534 15.754 1.00 0.00 O HETATM 1736 O3P PTR B 4 93.300 -12.215 15.387 1.00 0.00 O HETATM 0 HE2 PTR B 4 95.026 -8.389 14.078 1.00 0.00 H new HETATM 0 HE1 PTR B 4 92.511 -11.567 12.607 1.00 0.00 H new HETATM 0 HD2 PTR B 4 96.354 -8.465 11.975 1.00 0.00 H new HETATM 0 HD1 PTR B 4 93.835 -11.646 10.501 1.00 0.00 H new HETATM 0 HB3 PTR B 4 96.432 -11.101 9.699 1.00 0.00 H new HETATM 0 HB2 PTR B 4 96.816 -9.400 9.874 1.00 0.00 H new HETATM 0 HA PTR B 4 94.416 -8.968 8.867 1.00 0.00 H new ATOM 1745 N SER B 5 96.599 -8.220 7.539 1.00 0.00 N ATOM 1746 CA SER B 5 97.474 -7.714 6.436 1.00 0.00 C ATOM 1747 C SER B 5 98.946 -7.785 6.889 1.00 0.00 C ATOM 1748 O SER B 5 99.212 -7.677 8.069 1.00 0.00 O ATOM 1749 CB SER B 5 97.109 -6.254 6.166 1.00 0.00 C ATOM 1750 OG SER B 5 97.087 -5.545 7.398 1.00 0.00 O ATOM 0 H SER B 5 96.547 -7.609 8.354 1.00 0.00 H new ATOM 0 HA SER B 5 97.336 -8.314 5.537 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.833 -5.805 5.486 1.00 0.00 H new ATOM 0 HB3 SER B 5 96.135 -6.193 5.680 1.00 0.00 H new ATOM 0 HG SER B 5 96.438 -4.813 7.343 1.00 0.00 H new ATOM 1756 N PRO B 6 99.875 -7.949 5.961 1.00 0.00 N ATOM 1757 CA PRO B 6 101.305 -8.009 6.322 1.00 0.00 C ATOM 1758 C PRO B 6 101.727 -6.696 7.003 1.00 0.00 C ATOM 1759 O PRO B 6 102.768 -6.617 7.623 1.00 0.00 O ATOM 1760 CB PRO B 6 102.049 -8.208 4.979 1.00 0.00 C ATOM 1761 CG PRO B 6 100.990 -8.106 3.844 1.00 0.00 C ATOM 1762 CD PRO B 6 99.598 -8.090 4.512 1.00 0.00 C ATOM 0 HA PRO B 6 101.529 -8.812 7.024 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.822 -7.450 4.852 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.546 -9.178 4.955 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.144 -7.201 3.256 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.078 -8.950 3.160 1.00 0.00 H new ATOM 0 HD2 PRO B 6 98.992 -7.263 4.143 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.048 -9.007 4.302 1.00 0.00 H new ATOM 1770 N LEU B 7 100.930 -5.667 6.885 1.00 0.00 N ATOM 1771 CA LEU B 7 101.291 -4.370 7.518 1.00 0.00 C ATOM 1772 C LEU B 7 101.602 -4.594 8.999 1.00 0.00 C ATOM 1773 O LEU B 7 101.621 -5.710 9.478 1.00 0.00 O ATOM 1774 CB LEU B 7 100.118 -3.389 7.388 1.00 0.00 C ATOM 1775 CG LEU B 7 99.790 -3.134 5.899 1.00 0.00 C ATOM 1776 CD1 LEU B 7 98.325 -2.711 5.757 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.681 -2.013 5.345 1.00 0.00 C ATOM 0 H LEU B 7 100.045 -5.671 6.377 1.00 0.00 H new ATOM 0 HA LEU B 7 102.167 -3.957 7.019 1.00 0.00 H new ATOM 0 HB2 LEU B 7 99.242 -3.791 7.896 1.00 0.00 H new ATOM 0 HB3 LEU B 7 100.367 -2.448 7.878 1.00 0.00 H new ATOM 0 HG LEU B 7 99.969 -4.054 5.342 1.00 0.00 H new ATOM 0 HD11 LEU B 7 98.098 -2.532 4.706 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.679 -3.502 6.138 1.00 0.00 H new ATOM 0 HD13 LEU B 7 98.153 -1.797 6.326 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.441 -1.842 4.296 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.508 -1.097 5.910 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.728 -2.302 5.435 1.00 0.00 H new ATOM 1789 N HIS B 8 101.844 -3.539 9.729 1.00 0.00 N ATOM 1790 CA HIS B 8 102.152 -3.686 11.179 1.00 0.00 C ATOM 1791 C HIS B 8 101.137 -4.630 11.828 1.00 0.00 C ATOM 1792 O HIS B 8 101.554 -5.469 12.609 1.00 0.00 O ATOM 1793 CB HIS B 8 102.073 -2.315 11.853 1.00 0.00 C ATOM 1794 CG HIS B 8 103.266 -1.488 11.459 1.00 0.00 C ATOM 1795 ND1 HIS B 8 104.487 -1.597 12.106 1.00 0.00 N ATOM 1796 CD2 HIS B 8 103.440 -0.534 10.488 1.00 0.00 C ATOM 1797 CE1 HIS B 8 105.334 -0.730 11.523 1.00 0.00 C ATOM 1798 NE2 HIS B 8 104.747 -0.056 10.530 1.00 0.00 N ATOM 1799 OXT HIS B 8 99.961 -4.497 11.532 1.00 0.00 O ATOM 0 H HIS B 8 101.841 -2.580 9.382 1.00 0.00 H new ATOM 0 HA HIS B 8 103.154 -4.097 11.297 1.00 0.00 H new ATOM 0 HB2 HIS B 8 101.154 -1.807 11.561 1.00 0.00 H new ATOM 0 HB3 HIS B 8 102.041 -2.433 12.936 1.00 0.00 H new ATOM 0 HD2 HIS B 8 102.679 -0.204 9.796 1.00 0.00 H new ATOM 0 HE1 HIS B 8 106.363 -0.595 11.821 1.00 0.00 H new ATOM 0 HE2 HIS B 8 105.166 0.656 9.931 1.00 0.00 H new TER 1807 HIS B 8