USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 TYR OH : rot 180:sc= 0.464 USER MOD Set 1.2: A 67 THR OG1 : rot -50:sc= 0.58 USER MOD Set 1.3: A 70 SER OG : rot -97:sc= 2 USER MOD Set 2.1: A 26 THR OG1 : rot -172:sc= 0.772 USER MOD Set 2.2: A 28 SER OG : rot -62:sc= 0.871 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 0.91 (180deg=0.625) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 179:sc= 0.903 (180deg=0.902) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -61:sc= 0.856 USER MOD Single : A 29 SER OG : rot 160:sc= 0.874 USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 0.953 (180deg=0.908) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.862 K(o=0.86,f=-2.7!) USER MOD Single : A 39 ASN : amide:sc=-0.00658 X(o=-0.0066,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -133:sc= -0.0571 (180deg=-1.5) USER MOD Single : A 46 GLN : amide:sc= 0.855 K(o=0.86,f=-0.015) USER MOD Single : A 48 TYR OH : rot -29:sc= 0.58 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.34) USER MOD Single : A 62 ASN : amide:sc= 1.14 K(o=1.1,f=-6!) USER MOD Single : A 64 TYR OH : rot 70:sc= 0.663 USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 4 -6.511 14.546 9.026 1.00 0.00 N ATOM 38 CA ARG A 4 -6.139 13.164 9.301 1.00 0.00 C ATOM 39 C ARG A 4 -6.128 12.339 8.018 1.00 0.00 C ATOM 40 O ARG A 4 -6.304 11.120 8.049 1.00 0.00 O ATOM 41 CB ARG A 4 -7.020 12.530 10.367 1.00 0.00 C ATOM 42 CG ARG A 4 -7.005 13.237 11.713 1.00 0.00 C ATOM 43 CD ARG A 4 -7.932 12.660 12.719 1.00 0.00 C ATOM 44 NE ARG A 4 -8.036 13.424 13.952 1.00 0.00 N ATOM 45 CZ ARG A 4 -8.834 13.100 14.987 1.00 0.00 C ATOM 46 NH1 ARG A 4 -9.625 12.051 14.931 1.00 0.00 N ATOM 47 NH2 ARG A 4 -8.818 13.879 16.054 1.00 0.00 N ATOM 0 HA ARG A 4 -5.126 13.175 9.704 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.046 12.501 10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.704 11.497 10.512 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.991 13.210 12.113 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.260 14.286 11.562 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.924 12.575 12.274 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.603 11.649 12.960 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.464 14.264 14.039 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.641 11.468 14.094 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.223 11.820 15.724 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.212 14.699 16.077 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.411 13.660 16.854 1.00 0.00 H new ATOM 61 N LYS A 5 -5.922 13.010 6.890 1.00 0.00 N ATOM 62 CA LYS A 5 -5.783 12.328 5.608 1.00 0.00 C ATOM 63 C LYS A 5 -4.331 12.345 5.139 1.00 0.00 C ATOM 64 O LYS A 5 -3.610 13.320 5.352 1.00 0.00 O ATOM 65 CB LYS A 5 -6.686 12.975 4.556 1.00 0.00 C ATOM 66 CG LYS A 5 -8.176 12.850 4.843 1.00 0.00 C ATOM 67 CD LYS A 5 -9.006 13.542 3.772 1.00 0.00 C ATOM 68 CE LYS A 5 -10.495 13.434 4.069 1.00 0.00 C ATOM 69 NZ LYS A 5 -11.321 14.082 3.014 1.00 0.00 N ATOM 0 H LYS A 5 -5.848 14.026 6.837 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.089 11.290 5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.431 14.032 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.476 12.523 3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.451 11.797 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.399 13.286 5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.721 14.592 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.794 13.096 2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.773 12.383 4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.707 13.898 5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.328 13.986 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.075 15.090 2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.138 13.623 2.099 1.00 0.00 H new ATOM 83 N ILE A 6 -3.910 11.260 4.497 1.00 0.00 N ATOM 84 CA ILE A 6 -2.554 11.160 3.974 1.00 0.00 C ATOM 85 C ILE A 6 -2.547 10.564 2.571 1.00 0.00 C ATOM 86 O ILE A 6 -3.447 9.810 2.201 1.00 0.00 O ATOM 87 CB ILE A 6 -1.657 10.308 4.890 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.241 8.902 5.051 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.491 10.977 6.246 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.340 7.948 5.800 1.00 0.00 C ATOM 0 H ILE A 6 -4.489 10.438 4.327 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.156 12.174 3.935 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.673 10.222 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.194 8.973 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.449 8.490 4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.854 10.361 6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.033 11.957 6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.467 11.093 6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.823 6.973 5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.395 7.846 5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.152 8.336 6.801 1.00 0.00 H new ATOM 102 N HIS A 7 -1.524 10.906 1.794 1.00 0.00 N ATOM 103 CA HIS A 7 -1.315 10.287 0.490 1.00 0.00 C ATOM 104 C HIS A 7 -0.198 9.251 0.553 1.00 0.00 C ATOM 105 O HIS A 7 0.741 9.381 1.339 1.00 0.00 O ATOM 106 CB HIS A 7 -0.991 11.346 -0.570 1.00 0.00 C ATOM 107 CG HIS A 7 -2.100 12.325 -0.800 1.00 0.00 C ATOM 108 ND1 HIS A 7 -3.180 12.048 -1.613 1.00 0.00 N ATOM 109 CD2 HIS A 7 -2.297 13.577 -0.325 1.00 0.00 C ATOM 110 CE1 HIS A 7 -3.993 13.090 -1.627 1.00 0.00 C ATOM 111 NE2 HIS A 7 -3.481 14.030 -0.855 1.00 0.00 N ATOM 0 H HIS A 7 -0.827 11.608 2.045 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.240 9.784 0.208 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.096 11.889 -0.267 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.758 10.847 -1.510 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.646 14.118 0.345 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.920 13.160 -2.177 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.897 14.945 -0.680 1.00 0.00 H new ATOM 118 N VAL A 8 -0.305 8.220 -0.280 1.00 0.00 N ATOM 119 CA VAL A 8 0.736 7.204 -0.377 1.00 0.00 C ATOM 120 C VAL A 8 1.191 7.021 -1.820 1.00 0.00 C ATOM 121 O VAL A 8 0.370 6.887 -2.730 1.00 0.00 O ATOM 122 CB VAL A 8 0.258 5.849 0.177 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.354 4.802 0.044 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.170 5.988 1.630 1.00 0.00 C ATOM 0 H VAL A 8 -1.102 8.067 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 8 1.575 7.554 0.224 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.603 5.524 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.999 3.851 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.617 4.682 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.233 5.122 0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.505 5.021 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.674 6.336 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.986 6.707 1.702 1.00 0.00 H new ATOM 134 N THR A 9 2.504 7.013 -2.026 1.00 0.00 N ATOM 135 CA THR A 9 3.069 6.839 -3.357 1.00 0.00 C ATOM 136 C THR A 9 3.278 5.363 -3.678 1.00 0.00 C ATOM 137 O THR A 9 4.030 4.670 -2.992 1.00 0.00 O ATOM 138 CB THR A 9 4.411 7.582 -3.502 1.00 0.00 C ATOM 139 OG1 THR A 9 4.206 8.987 -3.309 1.00 0.00 O ATOM 140 CG2 THR A 9 5.005 7.344 -4.882 1.00 0.00 C ATOM 0 H THR A 9 3.197 7.125 -1.286 1.00 0.00 H new ATOM 0 HA THR A 9 2.352 7.262 -4.061 1.00 0.00 H new ATOM 0 HB THR A 9 5.103 7.203 -2.750 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.061 9.458 -3.400 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.952 7.876 -4.967 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.174 6.277 -5.026 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.315 7.708 -5.643 1.00 0.00 H new ATOM 148 N VAL A 10 2.608 4.888 -4.722 1.00 0.00 N ATOM 149 CA VAL A 10 2.629 3.472 -5.065 1.00 0.00 C ATOM 150 C VAL A 10 3.604 3.196 -6.204 1.00 0.00 C ATOM 151 O VAL A 10 3.404 3.651 -7.330 1.00 0.00 O ATOM 152 CB VAL A 10 1.230 2.965 -5.463 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.258 1.465 -5.712 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.213 3.306 -4.384 1.00 0.00 C ATOM 0 H VAL A 10 2.043 5.464 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 10 2.957 2.938 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 10 0.933 3.462 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.261 1.124 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.957 1.243 -6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.575 0.951 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.770 2.940 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.506 2.835 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.173 4.387 -4.250 1.00 0.00 H new ATOM 164 N LYS A 11 4.659 2.446 -5.905 1.00 0.00 N ATOM 165 CA LYS A 11 5.719 2.194 -6.873 1.00 0.00 C ATOM 166 C LYS A 11 5.667 0.756 -7.378 1.00 0.00 C ATOM 167 O LYS A 11 5.868 -0.188 -6.613 1.00 0.00 O ATOM 168 CB LYS A 11 7.089 2.490 -6.260 1.00 0.00 C ATOM 169 CG LYS A 11 7.313 3.952 -5.898 1.00 0.00 C ATOM 170 CD LYS A 11 8.738 4.190 -5.418 1.00 0.00 C ATOM 171 CE LYS A 11 8.970 5.654 -5.077 1.00 0.00 C ATOM 172 NZ LYS A 11 10.375 5.912 -4.659 1.00 0.00 N ATOM 0 H LYS A 11 4.803 2.001 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 11 5.564 2.861 -7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.211 1.883 -5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.863 2.179 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.110 4.579 -6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.610 4.248 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.936 3.574 -4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.441 3.879 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.730 6.271 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.293 5.952 -4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.441 6.857 -4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.668 5.194 -3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.999 5.865 -5.490 1.00 0.00 H new ATOM 186 N PHE A 12 5.397 0.595 -8.669 1.00 0.00 N ATOM 187 CA PHE A 12 5.650 -0.669 -9.351 1.00 0.00 C ATOM 188 C PHE A 12 6.879 -0.566 -10.249 1.00 0.00 C ATOM 189 O PHE A 12 7.306 0.520 -10.636 1.00 0.00 O ATOM 190 CB PHE A 12 4.428 -1.088 -10.172 1.00 0.00 C ATOM 191 CG PHE A 12 3.237 -1.465 -9.337 1.00 0.00 C ATOM 192 CD1 PHE A 12 3.073 -2.764 -8.882 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.277 -0.520 -9.005 1.00 0.00 C ATOM 194 CE1 PHE A 12 1.978 -3.112 -8.115 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.182 -0.865 -8.237 1.00 0.00 C ATOM 196 CZ PHE A 12 1.032 -2.161 -7.792 1.00 0.00 C ATOM 0 H PHE A 12 5.003 1.324 -9.264 1.00 0.00 H new ATOM 0 HA PHE A 12 5.841 -1.430 -8.594 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.150 -0.270 -10.836 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.699 -1.933 -10.804 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.810 -3.513 -9.130 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.387 0.497 -9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.862 -4.128 -7.768 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.443 -0.119 -7.985 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.176 -2.431 -7.192 1.00 0.00 H new ATOM 206 N PRO A 13 7.460 -1.726 -10.589 1.00 0.00 N ATOM 207 CA PRO A 13 8.666 -1.794 -11.422 1.00 0.00 C ATOM 208 C PRO A 13 8.446 -1.193 -12.805 1.00 0.00 C ATOM 209 O PRO A 13 9.386 -0.717 -13.442 1.00 0.00 O ATOM 210 CB PRO A 13 8.980 -3.291 -11.495 1.00 0.00 C ATOM 211 CG PRO A 13 7.699 -3.959 -11.128 1.00 0.00 C ATOM 212 CD PRO A 13 7.058 -3.058 -10.106 1.00 0.00 C ATOM 0 HA PRO A 13 9.488 -1.214 -11.003 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.306 -3.580 -12.494 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.781 -3.563 -10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.057 -4.084 -12.000 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.877 -4.953 -10.719 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.975 -3.174 -10.080 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.424 -3.256 -9.099 1.00 0.00 H new ATOM 220 N SER A 14 7.200 -1.220 -13.267 1.00 0.00 N ATOM 221 CA SER A 14 6.873 -0.760 -14.612 1.00 0.00 C ATOM 222 C SER A 14 5.853 0.374 -14.565 1.00 0.00 C ATOM 223 O SER A 14 5.558 1.001 -15.582 1.00 0.00 O ATOM 224 CB SER A 14 6.347 -1.913 -15.446 1.00 0.00 C ATOM 225 OG SER A 14 5.161 -2.444 -14.922 1.00 0.00 O ATOM 0 H SER A 14 6.400 -1.555 -12.730 1.00 0.00 H new ATOM 0 HA SER A 14 7.783 -0.378 -15.076 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.171 -1.571 -16.466 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.103 -2.697 -15.498 1.00 0.00 H new ATOM 0 HG SER A 14 4.855 -3.182 -15.489 1.00 0.00 H new ATOM 231 N LYS A 15 5.320 0.633 -13.376 1.00 0.00 N ATOM 232 CA LYS A 15 4.219 1.577 -13.218 1.00 0.00 C ATOM 233 C LYS A 15 4.337 2.334 -11.900 1.00 0.00 C ATOM 234 O LYS A 15 4.844 1.804 -10.912 1.00 0.00 O ATOM 235 CB LYS A 15 2.875 0.851 -13.293 1.00 0.00 C ATOM 236 CG LYS A 15 1.661 1.769 -13.232 1.00 0.00 C ATOM 237 CD LYS A 15 0.368 0.990 -13.422 1.00 0.00 C ATOM 238 CE LYS A 15 -0.844 1.909 -13.372 1.00 0.00 C ATOM 239 NZ LYS A 15 -2.121 1.145 -13.377 1.00 0.00 N ATOM 0 H LYS A 15 5.633 0.202 -12.506 1.00 0.00 H new ATOM 0 HA LYS A 15 4.273 2.298 -14.034 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.836 0.278 -14.220 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.816 0.135 -12.473 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.640 2.284 -12.272 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.743 2.535 -14.003 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.392 0.469 -14.379 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.282 0.229 -12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.794 2.527 -12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.822 2.585 -14.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.922 1.807 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.189 0.588 -14.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.146 0.506 -12.557 1.00 0.00 H new ATOM 253 N GLN A 16 3.862 3.577 -11.893 1.00 0.00 N ATOM 254 CA GLN A 16 3.812 4.366 -10.667 1.00 0.00 C ATOM 255 C GLN A 16 2.530 5.192 -10.605 1.00 0.00 C ATOM 256 O GLN A 16 2.025 5.650 -11.630 1.00 0.00 O ATOM 257 CB GLN A 16 5.030 5.290 -10.572 1.00 0.00 C ATOM 258 CG GLN A 16 6.343 4.565 -10.328 1.00 0.00 C ATOM 259 CD GLN A 16 7.505 5.521 -10.143 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.328 6.743 -10.140 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.705 4.971 -9.992 1.00 0.00 N ATOM 0 H GLN A 16 3.508 4.058 -12.720 1.00 0.00 H new ATOM 0 HA GLN A 16 3.824 3.676 -9.823 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.110 5.863 -11.496 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.867 6.006 -9.766 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.249 3.936 -9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.551 3.903 -11.168 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.806 3.956 -10.001 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.526 5.564 -9.867 1.00 0.00 H new ATOM 270 N PHE A 17 2.011 5.377 -9.398 1.00 0.00 N ATOM 271 CA PHE A 17 0.860 6.248 -9.185 1.00 0.00 C ATOM 272 C PHE A 17 0.652 6.524 -7.699 1.00 0.00 C ATOM 273 O PHE A 17 1.220 5.843 -6.845 1.00 0.00 O ATOM 274 CB PHE A 17 -0.402 5.627 -9.790 1.00 0.00 C ATOM 275 CG PHE A 17 -0.753 4.285 -9.212 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.545 4.189 -8.077 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.290 3.118 -9.799 1.00 0.00 C ATOM 278 CE1 PHE A 17 -1.869 2.955 -7.545 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.613 1.884 -9.270 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.403 1.803 -8.140 1.00 0.00 C ATOM 0 H PHE A 17 2.368 4.936 -8.551 1.00 0.00 H new ATOM 0 HA PHE A 17 1.058 7.196 -9.685 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.240 6.308 -9.639 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.265 5.524 -10.867 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.912 5.088 -7.604 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.331 3.174 -10.681 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.488 2.894 -6.662 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.248 0.983 -9.740 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.655 0.839 -7.724 1.00 0.00 H new ATOM 290 N THR A 18 -0.167 7.528 -7.399 1.00 0.00 N ATOM 291 CA THR A 18 -0.422 7.917 -6.018 1.00 0.00 C ATOM 292 C THR A 18 -1.854 7.593 -5.610 1.00 0.00 C ATOM 293 O THR A 18 -2.763 7.599 -6.442 1.00 0.00 O ATOM 294 CB THR A 18 -0.165 9.419 -5.798 1.00 0.00 C ATOM 295 OG1 THR A 18 -1.021 10.185 -6.657 1.00 0.00 O ATOM 296 CG2 THR A 18 1.287 9.761 -6.101 1.00 0.00 C ATOM 0 H THR A 18 -0.664 8.086 -8.094 1.00 0.00 H new ATOM 0 HA THR A 18 0.268 7.345 -5.398 1.00 0.00 H new ATOM 0 HB THR A 18 -0.376 9.659 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.857 11.141 -6.514 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.451 10.827 -5.940 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.941 9.190 -5.442 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.511 9.512 -7.138 1.00 0.00 H new ATOM 304 N VAL A 19 -2.050 7.310 -4.326 1.00 0.00 N ATOM 305 CA VAL A 19 -3.383 7.041 -3.798 1.00 0.00 C ATOM 306 C VAL A 19 -3.660 7.879 -2.555 1.00 0.00 C ATOM 307 O VAL A 19 -2.734 8.334 -1.883 1.00 0.00 O ATOM 308 CB VAL A 19 -3.563 5.551 -3.453 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.425 4.694 -4.703 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.554 5.121 -2.399 1.00 0.00 C ATOM 0 H VAL A 19 -1.304 7.261 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.093 7.310 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.565 5.411 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.555 3.644 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.185 4.984 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.436 4.840 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.697 4.065 -2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.544 5.276 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.698 5.713 -1.495 1.00 0.00 H new ATOM 320 N GLU A 20 -4.939 8.078 -2.255 1.00 0.00 N ATOM 321 CA GLU A 20 -5.337 8.855 -1.086 1.00 0.00 C ATOM 322 C GLU A 20 -6.004 7.963 -0.044 1.00 0.00 C ATOM 323 O GLU A 20 -6.984 7.275 -0.332 1.00 0.00 O ATOM 324 CB GLU A 20 -6.281 9.990 -1.492 1.00 0.00 C ATOM 325 CG GLU A 20 -6.743 10.866 -0.336 1.00 0.00 C ATOM 326 CD GLU A 20 -7.679 11.944 -0.808 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.967 11.983 -1.980 1.00 0.00 O ATOM 328 OE2 GLU A 20 -8.195 12.658 0.019 1.00 0.00 O ATOM 0 H GLU A 20 -5.717 7.713 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.439 9.287 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.780 10.617 -2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.156 9.561 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.242 10.251 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.878 11.319 0.148 1.00 0.00 H new ATOM 335 N VAL A 21 -5.465 7.979 1.172 1.00 0.00 N ATOM 336 CA VAL A 21 -5.975 7.135 2.246 1.00 0.00 C ATOM 337 C VAL A 21 -6.106 7.919 3.547 1.00 0.00 C ATOM 338 O VAL A 21 -5.605 9.038 3.661 1.00 0.00 O ATOM 339 CB VAL A 21 -5.069 5.913 2.483 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.039 5.024 1.249 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.662 6.357 2.852 1.00 0.00 C ATOM 0 H VAL A 21 -4.675 8.567 1.437 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.960 6.789 1.933 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.478 5.337 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.394 4.165 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.048 4.678 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.654 5.591 0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.035 5.481 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.245 6.955 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.696 6.954 3.763 1.00 0.00 H new ATOM 351 N ASP A 22 -6.783 7.326 4.523 1.00 0.00 N ATOM 352 CA ASP A 22 -6.933 7.945 5.835 1.00 0.00 C ATOM 353 C ASP A 22 -5.800 7.527 6.766 1.00 0.00 C ATOM 354 O ASP A 22 -5.317 6.396 6.704 1.00 0.00 O ATOM 355 CB ASP A 22 -8.284 7.579 6.453 1.00 0.00 C ATOM 356 CG ASP A 22 -8.710 8.471 7.611 1.00 0.00 C ATOM 357 OD1 ASP A 22 -8.039 8.466 8.616 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.604 9.262 7.429 1.00 0.00 O ATOM 0 H ASP A 22 -7.237 6.417 4.431 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.890 9.026 5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.048 7.623 5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.242 6.547 6.802 1.00 0.00 H new ATOM 363 N ARG A 23 -5.376 8.447 7.627 1.00 0.00 N ATOM 364 CA ARG A 23 -4.269 8.188 8.539 1.00 0.00 C ATOM 365 C ARG A 23 -4.633 7.095 9.540 1.00 0.00 C ATOM 366 O ARG A 23 -3.780 6.312 9.957 1.00 0.00 O ATOM 367 CB ARG A 23 -3.793 9.453 9.239 1.00 0.00 C ATOM 368 CG ARG A 23 -2.620 9.256 10.187 1.00 0.00 C ATOM 369 CD ARG A 23 -2.081 10.515 10.763 1.00 0.00 C ATOM 370 NE ARG A 23 -1.106 10.322 11.824 1.00 0.00 N ATOM 371 CZ ARG A 23 -0.512 11.320 12.509 1.00 0.00 C ATOM 372 NH1 ARG A 23 -0.762 12.579 12.223 1.00 0.00 N ATOM 373 NH2 ARG A 23 0.347 11.000 13.460 1.00 0.00 N ATOM 0 H ARG A 23 -5.783 9.378 7.712 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.431 7.830 7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.511 10.186 8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.627 9.877 9.799 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.932 8.602 11.001 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.820 8.742 9.654 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.621 11.097 9.965 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.910 11.106 11.151 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.854 9.364 12.067 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.413 12.812 11.474 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.304 13.322 12.751 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.545 10.020 13.659 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.812 11.733 13.995 1.00 0.00 H new ATOM 387 N THR A 24 -5.906 7.049 9.921 1.00 0.00 N ATOM 388 CA THR A 24 -6.353 6.155 10.982 1.00 0.00 C ATOM 389 C THR A 24 -6.775 4.803 10.419 1.00 0.00 C ATOM 390 O THR A 24 -7.071 3.873 11.169 1.00 0.00 O ATOM 391 CB THR A 24 -7.529 6.758 11.773 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.664 6.905 10.912 1.00 0.00 O ATOM 393 CG2 THR A 24 -7.147 8.118 12.340 1.00 0.00 C ATOM 0 H THR A 24 -6.645 7.620 9.511 1.00 0.00 H new ATOM 0 HA THR A 24 -5.507 6.019 11.655 1.00 0.00 H new ATOM 0 HB THR A 24 -7.775 6.087 12.596 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.440 7.512 10.176 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.989 8.530 12.896 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.292 8.007 13.006 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.886 8.792 11.524 1.00 0.00 H new ATOM 401 N GLU A 25 -6.800 4.700 9.094 1.00 0.00 N ATOM 402 CA GLU A 25 -7.166 3.454 8.431 1.00 0.00 C ATOM 403 C GLU A 25 -5.990 2.482 8.411 1.00 0.00 C ATOM 404 O GLU A 25 -4.833 2.885 8.542 1.00 0.00 O ATOM 405 CB GLU A 25 -7.652 3.726 7.006 1.00 0.00 C ATOM 406 CG GLU A 25 -9.092 4.208 6.914 1.00 0.00 C ATOM 407 CD GLU A 25 -10.060 3.101 7.230 1.00 0.00 C ATOM 408 OE1 GLU A 25 -9.642 1.969 7.280 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.191 3.397 7.533 1.00 0.00 O ATOM 0 H GLU A 25 -6.571 5.464 8.459 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.979 2.998 8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.002 4.473 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.549 2.813 6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.245 5.036 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.287 4.589 5.912 1.00 0.00 H new ATOM 416 N THR A 26 -6.293 1.198 8.246 1.00 0.00 N ATOM 417 CA THR A 26 -5.263 0.166 8.221 1.00 0.00 C ATOM 418 C THR A 26 -4.694 -0.010 6.819 1.00 0.00 C ATOM 419 O THR A 26 -5.231 0.526 5.848 1.00 0.00 O ATOM 420 CB THR A 26 -5.807 -1.186 8.718 1.00 0.00 C ATOM 421 OG1 THR A 26 -6.898 -1.601 7.885 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.286 -1.073 10.156 1.00 0.00 C ATOM 0 H THR A 26 -7.244 0.848 8.128 1.00 0.00 H new ATOM 0 HA THR A 26 -4.470 0.496 8.892 1.00 0.00 H new ATOM 0 HB THR A 26 -5.005 -1.922 8.671 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.323 -2.394 8.274 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.667 -2.038 10.490 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.455 -0.771 10.794 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.080 -0.329 10.218 1.00 0.00 H new ATOM 430 N VAL A 27 -3.605 -0.763 6.717 1.00 0.00 N ATOM 431 CA VAL A 27 -2.924 -0.956 5.442 1.00 0.00 C ATOM 432 C VAL A 27 -3.810 -1.710 4.456 1.00 0.00 C ATOM 433 O VAL A 27 -3.616 -1.626 3.243 1.00 0.00 O ATOM 434 CB VAL A 27 -1.599 -1.720 5.619 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.668 -0.964 6.555 1.00 0.00 C ATOM 436 CG2 VAL A 27 -1.858 -3.123 6.148 1.00 0.00 C ATOM 0 H VAL A 27 -3.174 -1.250 7.503 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.707 0.036 5.046 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.118 -1.802 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.263 -1.519 6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.455 0.021 6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.144 -0.852 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.910 -3.648 6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.362 -3.061 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.488 -3.667 5.444 1.00 0.00 H new ATOM 446 N SER A 28 -4.781 -2.448 4.985 1.00 0.00 N ATOM 447 CA SER A 28 -5.705 -3.207 4.151 1.00 0.00 C ATOM 448 C SER A 28 -6.576 -2.273 3.317 1.00 0.00 C ATOM 449 O SER A 28 -6.991 -2.617 2.209 1.00 0.00 O ATOM 450 CB SER A 28 -6.567 -4.109 5.012 1.00 0.00 C ATOM 451 OG SER A 28 -7.419 -3.379 5.852 1.00 0.00 O ATOM 0 H SER A 28 -4.948 -2.536 5.987 1.00 0.00 H new ATOM 0 HA SER A 28 -5.123 -3.826 3.468 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.161 -4.761 4.372 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.927 -4.752 5.616 1.00 0.00 H new ATOM 0 HG SER A 28 -6.884 -2.839 6.470 1.00 0.00 H new ATOM 457 N SER A 29 -6.850 -1.090 3.856 1.00 0.00 N ATOM 458 CA SER A 29 -7.534 -0.046 3.102 1.00 0.00 C ATOM 459 C SER A 29 -6.612 0.555 2.045 1.00 0.00 C ATOM 460 O SER A 29 -7.048 0.894 0.944 1.00 0.00 O ATOM 461 CB SER A 29 -8.041 1.032 4.040 1.00 0.00 C ATOM 462 OG SER A 29 -9.050 0.559 4.889 1.00 0.00 O ATOM 0 H SER A 29 -6.609 -0.830 4.812 1.00 0.00 H new ATOM 0 HA SER A 29 -8.386 -0.494 2.591 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.212 1.411 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.422 1.870 3.456 1.00 0.00 H new ATOM 0 HG SER A 29 -9.129 1.152 5.665 1.00 0.00 H new ATOM 468 N LEU A 30 -5.335 0.683 2.389 1.00 0.00 N ATOM 469 CA LEU A 30 -4.314 1.052 1.413 1.00 0.00 C ATOM 470 C LEU A 30 -4.213 0.003 0.310 1.00 0.00 C ATOM 471 O LEU A 30 -4.048 0.336 -0.864 1.00 0.00 O ATOM 472 CB LEU A 30 -2.958 1.235 2.106 1.00 0.00 C ATOM 473 CG LEU A 30 -1.786 1.559 1.171 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.062 2.852 0.416 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.504 1.671 1.982 1.00 0.00 C ATOM 0 H LEU A 30 -4.982 0.537 3.335 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.603 1.998 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.048 2.035 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.723 0.323 2.655 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.670 0.757 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.224 3.073 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.971 2.741 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.189 3.668 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.328 1.901 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.609 2.466 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.311 0.726 2.491 1.00 0.00 H new ATOM 487 N LYS A 31 -4.315 -1.264 0.694 1.00 0.00 N ATOM 488 CA LYS A 31 -4.317 -2.358 -0.270 1.00 0.00 C ATOM 489 C LYS A 31 -5.550 -2.291 -1.164 1.00 0.00 C ATOM 490 O LYS A 31 -5.482 -2.594 -2.356 1.00 0.00 O ATOM 491 CB LYS A 31 -4.256 -3.707 0.448 1.00 0.00 C ATOM 492 CG LYS A 31 -2.925 -3.999 1.127 1.00 0.00 C ATOM 493 CD LYS A 31 -2.939 -5.360 1.808 1.00 0.00 C ATOM 494 CE LYS A 31 -1.598 -5.666 2.460 1.00 0.00 C ATOM 495 NZ LYS A 31 -1.581 -7.014 3.090 1.00 0.00 N ATOM 0 H LYS A 31 -4.397 -1.559 1.667 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.432 -2.257 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.047 -3.742 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.464 -4.498 -0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.123 -3.967 0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.712 -3.224 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.726 -5.384 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.175 -6.133 1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.808 -5.605 1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.380 -4.910 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.618 -7.232 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.234 -7.027 3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.879 -7.727 2.393 1.00 0.00 H new ATOM 509 N ASP A 32 -6.677 -1.892 -0.584 1.00 0.00 N ATOM 510 CA ASP A 32 -7.911 -1.725 -1.342 1.00 0.00 C ATOM 511 C ASP A 32 -7.722 -0.715 -2.470 1.00 0.00 C ATOM 512 O ASP A 32 -8.145 -0.946 -3.603 1.00 0.00 O ATOM 513 CB ASP A 32 -9.052 -1.284 -0.423 1.00 0.00 C ATOM 514 CG ASP A 32 -9.580 -2.379 0.495 1.00 0.00 C ATOM 515 OD1 ASP A 32 -9.251 -3.521 0.274 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.173 -2.053 1.494 1.00 0.00 O ATOM 0 H ASP A 32 -6.761 -1.678 0.410 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.170 -2.688 -1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.708 -0.449 0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.873 -0.913 -1.036 1.00 0.00 H new ATOM 521 N LYS A 33 -7.086 0.407 -2.152 1.00 0.00 N ATOM 522 CA LYS A 33 -6.839 1.452 -3.139 1.00 0.00 C ATOM 523 C LYS A 33 -5.928 0.944 -4.252 1.00 0.00 C ATOM 524 O LYS A 33 -6.131 1.262 -5.425 1.00 0.00 O ATOM 525 CB LYS A 33 -6.224 2.684 -2.473 1.00 0.00 C ATOM 526 CG LYS A 33 -7.170 3.437 -1.546 1.00 0.00 C ATOM 527 CD LYS A 33 -8.329 4.049 -2.318 1.00 0.00 C ATOM 528 CE LYS A 33 -9.279 4.796 -1.393 1.00 0.00 C ATOM 529 NZ LYS A 33 -10.418 5.401 -2.133 1.00 0.00 N ATOM 0 H LYS A 33 -6.732 0.616 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.795 1.733 -3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.347 2.375 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.876 3.366 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.555 2.757 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.623 4.222 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.944 4.732 -3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.873 3.264 -2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.661 4.111 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.732 5.579 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.040 5.900 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.056 6.074 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.956 4.652 -2.614 1.00 0.00 H new ATOM 543 N ILE A 34 -4.926 0.156 -3.877 1.00 0.00 N ATOM 544 CA ILE A 34 -4.055 -0.487 -4.853 1.00 0.00 C ATOM 545 C ILE A 34 -4.834 -1.469 -5.723 1.00 0.00 C ATOM 546 O ILE A 34 -4.628 -1.539 -6.935 1.00 0.00 O ATOM 547 CB ILE A 34 -2.892 -1.228 -4.171 1.00 0.00 C ATOM 548 CG1 ILE A 34 -1.959 -0.233 -3.475 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.125 -2.063 -5.185 1.00 0.00 C ATOM 550 CD1 ILE A 34 -0.986 -0.879 -2.514 1.00 0.00 C ATOM 0 H ILE A 34 -4.697 -0.052 -2.905 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.647 0.305 -5.481 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.304 -1.898 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.398 0.315 -4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.560 0.497 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.306 -2.580 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.796 -2.795 -5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.723 -1.413 -5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.359 -0.111 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.539 -1.404 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.358 -1.588 -3.054 1.00 0.00 H new ATOM 562 N HIS A 35 -5.731 -2.223 -5.097 1.00 0.00 N ATOM 563 CA HIS A 35 -6.516 -3.226 -5.806 1.00 0.00 C ATOM 564 C HIS A 35 -7.462 -2.569 -6.805 1.00 0.00 C ATOM 565 O HIS A 35 -7.703 -3.100 -7.890 1.00 0.00 O ATOM 566 CB HIS A 35 -7.308 -4.092 -4.822 1.00 0.00 C ATOM 567 CG HIS A 35 -8.205 -5.090 -5.487 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.719 -6.153 -6.219 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.554 -5.188 -5.530 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.734 -6.862 -6.684 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.857 -6.298 -6.280 1.00 0.00 N ATOM 0 H HIS A 35 -5.932 -2.158 -4.099 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.824 -3.866 -6.353 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.610 -4.620 -4.173 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.909 -3.444 -4.184 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.733 -6.360 -6.377 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.260 -4.518 -5.062 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.657 -7.752 -7.291 1.00 0.00 H new ATOM 578 N ILE A 36 -7.997 -1.409 -6.434 1.00 0.00 N ATOM 579 CA ILE A 36 -8.913 -0.678 -7.300 1.00 0.00 C ATOM 580 C ILE A 36 -8.217 -0.228 -8.580 1.00 0.00 C ATOM 581 O ILE A 36 -8.778 -0.324 -9.671 1.00 0.00 O ATOM 582 CB ILE A 36 -9.504 0.552 -6.586 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.456 0.115 -5.470 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.221 1.451 -7.582 1.00 0.00 C ATOM 585 CD1 ILE A 36 -10.832 1.226 -4.517 1.00 0.00 C ATOM 0 H ILE A 36 -7.811 -0.956 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.723 -1.362 -7.552 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.688 1.119 -6.138 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.364 -0.289 -5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.992 -0.693 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.633 2.315 -7.061 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.516 1.787 -8.342 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.029 0.895 -8.058 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.508 0.838 -3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.933 1.616 -4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.326 2.026 -5.068 1.00 0.00 H new ATOM 597 N VAL A 37 -6.990 0.263 -8.439 1.00 0.00 N ATOM 598 CA VAL A 37 -6.227 0.756 -9.580 1.00 0.00 C ATOM 599 C VAL A 37 -5.694 -0.396 -10.424 1.00 0.00 C ATOM 600 O VAL A 37 -5.700 -0.330 -11.653 1.00 0.00 O ATOM 601 CB VAL A 37 -5.046 1.636 -9.129 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.181 2.020 -10.319 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.551 2.874 -8.404 1.00 0.00 C ATOM 0 H VAL A 37 -6.503 0.330 -7.545 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.910 1.357 -10.180 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.432 1.062 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.352 2.642 -9.981 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.790 1.118 -10.790 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.780 2.576 -11.040 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.703 3.484 -8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.188 3.453 -9.073 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.124 2.574 -7.527 1.00 0.00 H new ATOM 613 N GLU A 38 -5.237 -1.450 -9.757 1.00 0.00 N ATOM 614 CA GLU A 38 -4.609 -2.574 -10.441 1.00 0.00 C ATOM 615 C GLU A 38 -5.623 -3.680 -10.716 1.00 0.00 C ATOM 616 O GLU A 38 -6.804 -3.548 -10.391 1.00 0.00 O ATOM 617 CB GLU A 38 -3.442 -3.121 -9.616 1.00 0.00 C ATOM 618 CG GLU A 38 -2.304 -2.132 -9.404 1.00 0.00 C ATOM 619 CD GLU A 38 -1.719 -1.683 -10.715 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.262 -2.520 -11.456 1.00 0.00 O ATOM 621 OE2 GLU A 38 -1.829 -0.521 -11.025 1.00 0.00 O ATOM 0 H GLU A 38 -5.290 -1.549 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.225 -2.215 -11.396 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.818 -3.438 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.048 -4.009 -10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.670 -1.267 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.527 -2.594 -8.796 1.00 0.00 H new ATOM 628 N ASN A 39 -5.156 -4.769 -11.317 1.00 0.00 N ATOM 629 CA ASN A 39 -6.028 -5.887 -11.659 1.00 0.00 C ATOM 630 C ASN A 39 -5.601 -7.154 -10.927 1.00 0.00 C ATOM 631 O ASN A 39 -5.873 -8.269 -11.377 1.00 0.00 O ATOM 632 CB ASN A 39 -6.060 -6.129 -13.157 1.00 0.00 C ATOM 633 CG ASN A 39 -6.561 -4.953 -13.949 1.00 0.00 C ATOM 634 OD1 ASN A 39 -7.734 -4.574 -13.862 1.00 0.00 O ATOM 635 ND2 ASN A 39 -5.701 -4.427 -14.784 1.00 0.00 N ATOM 0 H ASN A 39 -4.179 -4.901 -11.577 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.036 -5.623 -11.339 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.056 -6.383 -13.497 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.694 -6.991 -13.363 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.989 -3.668 -15.402 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.743 -4.776 -14.817 1.00 0.00 H new ATOM 642 N THR A 40 -4.931 -6.979 -9.792 1.00 0.00 N ATOM 643 CA THR A 40 -4.414 -8.106 -9.026 1.00 0.00 C ATOM 644 C THR A 40 -5.087 -8.197 -7.661 1.00 0.00 C ATOM 645 O THR A 40 -5.146 -7.226 -6.907 1.00 0.00 O ATOM 646 CB THR A 40 -2.890 -8.007 -8.832 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.240 -8.022 -10.110 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.382 -9.171 -7.996 1.00 0.00 C ATOM 0 H THR A 40 -4.734 -6.066 -9.383 1.00 0.00 H new ATOM 0 HA THR A 40 -4.638 -9.006 -9.599 1.00 0.00 H new ATOM 0 HB THR A 40 -2.665 -7.075 -8.313 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.270 -7.957 -9.985 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.303 -9.084 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.865 -9.155 -7.019 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.614 -10.109 -8.500 1.00 0.00 H new ATOM 656 N PRO A 41 -5.603 -9.389 -7.333 1.00 0.00 N ATOM 657 CA PRO A 41 -6.228 -9.652 -6.033 1.00 0.00 C ATOM 658 C PRO A 41 -5.320 -9.275 -4.867 1.00 0.00 C ATOM 659 O PRO A 41 -4.103 -9.450 -4.934 1.00 0.00 O ATOM 660 CB PRO A 41 -6.520 -11.156 -6.061 1.00 0.00 C ATOM 661 CG PRO A 41 -6.654 -11.481 -7.510 1.00 0.00 C ATOM 662 CD PRO A 41 -5.654 -10.600 -8.210 1.00 0.00 C ATOM 0 HA PRO A 41 -7.126 -9.053 -5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.714 -11.726 -5.599 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.433 -11.394 -5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.448 -12.535 -7.697 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.666 -11.286 -7.865 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.679 -11.081 -8.291 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.973 -10.352 -9.222 1.00 0.00 H new ATOM 670 N ILE A 42 -5.919 -8.757 -3.801 1.00 0.00 N ATOM 671 CA ILE A 42 -5.162 -8.334 -2.629 1.00 0.00 C ATOM 672 C ILE A 42 -4.410 -9.507 -2.008 1.00 0.00 C ATOM 673 O ILE A 42 -3.301 -9.349 -1.496 1.00 0.00 O ATOM 674 CB ILE A 42 -6.075 -7.699 -1.565 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.617 -6.356 -2.059 1.00 0.00 C ATOM 676 CG2 ILE A 42 -5.323 -7.524 -0.254 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.705 -5.776 -1.184 1.00 0.00 C ATOM 0 H ILE A 42 -6.927 -8.620 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.446 -7.586 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.919 -8.366 -1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.794 -5.643 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.005 -6.481 -3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.984 -7.074 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.985 -8.496 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.461 -6.876 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.038 -4.825 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.546 -6.468 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.317 -5.617 -0.178 1.00 0.00 H new ATOM 689 N LYS A 43 -5.021 -10.687 -2.058 1.00 0.00 N ATOM 690 CA LYS A 43 -4.422 -11.883 -1.478 1.00 0.00 C ATOM 691 C LYS A 43 -3.152 -12.274 -2.225 1.00 0.00 C ATOM 692 O LYS A 43 -2.287 -12.962 -1.682 1.00 0.00 O ATOM 693 CB LYS A 43 -5.419 -13.042 -1.490 1.00 0.00 C ATOM 694 CG LYS A 43 -6.599 -12.868 -0.541 1.00 0.00 C ATOM 695 CD LYS A 43 -7.555 -14.049 -0.623 1.00 0.00 C ATOM 696 CE LYS A 43 -8.719 -13.887 0.342 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.675 -15.024 0.256 1.00 0.00 N ATOM 0 H LYS A 43 -5.930 -10.840 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.157 -11.659 -0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.799 -13.168 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.893 -13.961 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.234 -12.763 0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.132 -11.949 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.934 -14.142 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.018 -14.970 -0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.338 -13.810 1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.243 -12.956 0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.453 -14.875 0.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.059 -15.083 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.182 -15.910 0.487 1.00 0.00 H new ATOM 711 N ARG A 44 -3.044 -11.830 -3.473 1.00 0.00 N ATOM 712 CA ARG A 44 -1.882 -12.139 -4.297 1.00 0.00 C ATOM 713 C ARG A 44 -0.902 -10.970 -4.315 1.00 0.00 C ATOM 714 O ARG A 44 0.314 -11.168 -4.308 1.00 0.00 O ATOM 715 CB ARG A 44 -2.272 -12.565 -5.705 1.00 0.00 C ATOM 716 CG ARG A 44 -3.169 -13.790 -5.778 1.00 0.00 C ATOM 717 CD ARG A 44 -2.515 -15.054 -5.353 1.00 0.00 C ATOM 718 NE ARG A 44 -3.379 -16.223 -5.394 1.00 0.00 N ATOM 719 CZ ARG A 44 -3.007 -17.463 -5.020 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.781 -17.709 -4.615 1.00 0.00 N ATOM 721 NH2 ARG A 44 -3.902 -18.432 -5.096 1.00 0.00 N ATOM 0 H ARG A 44 -3.748 -11.255 -3.936 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.379 -12.993 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.778 -11.732 -6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.363 -12.764 -6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.046 -13.621 -5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.524 -13.905 -6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.651 -15.234 -5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.140 -14.931 -4.337 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.334 -16.095 -5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.095 -16.955 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.516 -18.653 -4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.844 -18.231 -5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.651 -19.381 -4.820 1.00 0.00 H new ATOM 735 N MET A 45 -1.437 -9.755 -4.338 1.00 0.00 N ATOM 736 CA MET A 45 -0.608 -8.555 -4.363 1.00 0.00 C ATOM 737 C MET A 45 0.193 -8.421 -3.073 1.00 0.00 C ATOM 738 O MET A 45 -0.346 -8.578 -1.977 1.00 0.00 O ATOM 739 CB MET A 45 -1.476 -7.317 -4.581 1.00 0.00 C ATOM 740 CG MET A 45 -0.711 -6.001 -4.557 1.00 0.00 C ATOM 741 SD MET A 45 -0.529 -5.333 -2.891 1.00 0.00 S ATOM 742 CE MET A 45 -2.202 -4.792 -2.557 1.00 0.00 C ATOM 0 H MET A 45 -2.441 -9.574 -4.340 1.00 0.00 H new ATOM 0 HA MET A 45 0.095 -8.642 -5.192 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.986 -7.410 -5.540 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.248 -7.289 -3.812 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.276 -6.151 -4.994 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.229 -5.273 -5.182 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.183 -3.784 -2.144 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.777 -4.794 -3.483 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.667 -5.469 -1.840 1.00 0.00 H new ATOM 752 N GLN A 46 1.482 -8.127 -3.210 1.00 0.00 N ATOM 753 CA GLN A 46 2.364 -8.000 -2.055 1.00 0.00 C ATOM 754 C GLN A 46 2.717 -6.538 -1.801 1.00 0.00 C ATOM 755 O GLN A 46 2.983 -5.782 -2.735 1.00 0.00 O ATOM 756 CB GLN A 46 3.643 -8.815 -2.262 1.00 0.00 C ATOM 757 CG GLN A 46 3.403 -10.273 -2.610 1.00 0.00 C ATOM 758 CD GLN A 46 2.733 -11.035 -1.483 1.00 0.00 C ATOM 759 OE1 GLN A 46 3.225 -11.055 -0.351 1.00 0.00 O ATOM 760 NE2 GLN A 46 1.608 -11.671 -1.785 1.00 0.00 N ATOM 0 H GLN A 46 1.939 -7.972 -4.109 1.00 0.00 H new ATOM 0 HA GLN A 46 1.835 -8.388 -1.185 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.229 -8.355 -3.058 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.244 -8.764 -1.354 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.782 -10.333 -3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.354 -10.748 -2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.237 -11.628 -2.734 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.115 -12.203 -1.068 1.00 0.00 H new ATOM 769 N LEU A 47 2.719 -6.148 -0.532 1.00 0.00 N ATOM 770 CA LEU A 47 2.857 -4.744 -0.162 1.00 0.00 C ATOM 771 C LEU A 47 4.059 -4.538 0.754 1.00 0.00 C ATOM 772 O LEU A 47 4.113 -5.087 1.855 1.00 0.00 O ATOM 773 CB LEU A 47 1.575 -4.242 0.513 1.00 0.00 C ATOM 774 CG LEU A 47 1.656 -2.827 1.098 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.943 -1.821 -0.008 1.00 0.00 C ATOM 776 CD2 LEU A 47 0.350 -2.493 1.804 1.00 0.00 C ATOM 0 H LEU A 47 2.627 -6.785 0.259 1.00 0.00 H new ATOM 0 HA LEU A 47 3.022 -4.166 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.765 -4.271 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.310 -4.934 1.312 1.00 0.00 H new ATOM 0 HG LEU A 47 2.469 -2.779 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.999 -0.819 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.892 -2.066 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.144 -1.857 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.408 -1.487 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.473 -2.544 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.178 -3.208 2.608 1.00 0.00 H new ATOM 788 N TYR A 48 5.018 -3.742 0.296 1.00 0.00 N ATOM 789 CA TYR A 48 6.168 -3.379 1.115 1.00 0.00 C ATOM 790 C TYR A 48 6.290 -1.863 1.242 1.00 0.00 C ATOM 791 O TYR A 48 6.040 -1.127 0.287 1.00 0.00 O ATOM 792 CB TYR A 48 7.453 -3.963 0.524 1.00 0.00 C ATOM 793 CG TYR A 48 8.717 -3.452 1.180 1.00 0.00 C ATOM 794 CD1 TYR A 48 9.134 -3.947 2.406 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.491 -2.477 0.568 1.00 0.00 C ATOM 796 CE1 TYR A 48 10.288 -3.483 3.010 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.646 -2.006 1.161 1.00 0.00 C ATOM 798 CZ TYR A 48 11.041 -2.512 2.383 1.00 0.00 C ATOM 799 OH TYR A 48 12.192 -2.046 2.978 1.00 0.00 O ATOM 0 H TYR A 48 5.022 -3.335 -0.639 1.00 0.00 H new ATOM 0 HA TYR A 48 6.017 -3.796 2.111 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.422 -5.049 0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.489 -3.732 -0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.547 -4.709 2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.185 -2.079 -0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.598 -3.878 3.966 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.237 -1.246 0.671 1.00 0.00 H new ATOM 0 HH TYR A 48 12.108 -2.115 3.952 1.00 0.00 H new ATOM 809 N TYR A 49 6.675 -1.403 2.427 1.00 0.00 N ATOM 810 CA TYR A 49 6.910 0.016 2.658 1.00 0.00 C ATOM 811 C TYR A 49 8.375 0.280 2.992 1.00 0.00 C ATOM 812 O TYR A 49 8.987 -0.452 3.768 1.00 0.00 O ATOM 813 CB TYR A 49 6.010 0.532 3.784 1.00 0.00 C ATOM 814 CG TYR A 49 6.423 1.880 4.330 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.450 3.002 3.514 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.784 2.029 5.661 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.827 4.236 4.008 1.00 0.00 C ATOM 818 CE2 TYR A 49 7.161 3.258 6.166 1.00 0.00 C ATOM 819 CZ TYR A 49 7.182 4.360 5.336 1.00 0.00 C ATOM 820 OH TYR A 49 7.556 5.587 5.834 1.00 0.00 O ATOM 0 H TYR A 49 6.831 -1.994 3.244 1.00 0.00 H new ATOM 0 HA TYR A 49 6.666 0.551 1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.986 0.598 3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.010 -0.194 4.597 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.171 2.909 2.475 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.770 1.169 6.314 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.844 5.099 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.438 3.356 7.205 1.00 0.00 H new ATOM 0 HH TYR A 49 7.774 5.501 6.786 1.00 0.00 H new ATOM 830 N SER A 50 8.929 1.333 2.399 1.00 0.00 N ATOM 831 CA SER A 50 10.291 1.756 2.709 1.00 0.00 C ATOM 832 C SER A 50 10.646 1.426 4.156 1.00 0.00 C ATOM 833 O SER A 50 10.214 2.111 5.083 1.00 0.00 O ATOM 834 CB SER A 50 10.451 3.241 2.447 1.00 0.00 C ATOM 835 OG SER A 50 11.752 3.686 2.719 1.00 0.00 O ATOM 0 H SER A 50 8.457 1.909 1.702 1.00 0.00 H new ATOM 0 HA SER A 50 10.977 1.211 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.205 3.454 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.742 3.796 3.062 1.00 0.00 H new ATOM 0 HG SER A 50 11.814 4.647 2.536 1.00 0.00 H new ATOM 841 N GLY A 51 11.434 0.372 4.341 1.00 0.00 N ATOM 842 CA GLY A 51 11.836 -0.028 5.677 1.00 0.00 C ATOM 843 C GLY A 51 11.004 -1.177 6.213 1.00 0.00 C ATOM 844 O GLY A 51 11.415 -2.336 6.140 1.00 0.00 O ATOM 0 H GLY A 51 11.801 -0.212 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.886 -0.319 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.749 0.825 6.350 1.00 0.00 H new ATOM 848 N ILE A 52 9.834 -0.857 6.753 1.00 0.00 N ATOM 849 CA ILE A 52 8.976 -1.863 7.369 1.00 0.00 C ATOM 850 C ILE A 52 7.931 -2.373 6.381 1.00 0.00 C ATOM 851 O ILE A 52 7.236 -1.588 5.738 1.00 0.00 O ATOM 852 CB ILE A 52 8.264 -1.309 8.618 1.00 0.00 C ATOM 853 CG1 ILE A 52 9.290 -0.882 9.671 1.00 0.00 C ATOM 854 CG2 ILE A 52 7.310 -2.346 9.189 1.00 0.00 C ATOM 855 CD1 ILE A 52 8.693 -0.111 10.826 1.00 0.00 C ATOM 0 H ILE A 52 9.457 0.091 6.777 1.00 0.00 H new ATOM 0 HA ILE A 52 9.621 -2.689 7.668 1.00 0.00 H new ATOM 0 HB ILE A 52 7.684 -0.433 8.328 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.790 -1.770 10.059 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.054 -0.269 9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.815 -1.939 10.071 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.562 -2.604 8.440 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.868 -3.240 9.467 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.480 0.157 11.530 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.218 0.795 10.451 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.950 -0.729 11.330 1.00 0.00 H new ATOM 867 N GLU A 53 7.828 -3.694 6.270 1.00 0.00 N ATOM 868 CA GLU A 53 6.838 -4.310 5.394 1.00 0.00 C ATOM 869 C GLU A 53 5.438 -4.203 5.993 1.00 0.00 C ATOM 870 O GLU A 53 5.233 -4.487 7.174 1.00 0.00 O ATOM 871 CB GLU A 53 7.190 -5.777 5.133 1.00 0.00 C ATOM 872 CG GLU A 53 6.258 -6.483 4.160 1.00 0.00 C ATOM 873 CD GLU A 53 6.674 -7.912 3.944 1.00 0.00 C ATOM 874 OE1 GLU A 53 7.639 -8.326 4.541 1.00 0.00 O ATOM 875 OE2 GLU A 53 5.966 -8.621 3.269 1.00 0.00 O ATOM 0 H GLU A 53 8.417 -4.357 6.775 1.00 0.00 H new ATOM 0 HA GLU A 53 6.848 -3.773 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.208 -5.831 4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.181 -6.315 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.238 -6.453 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.256 -5.955 3.207 1.00 0.00 H new ATOM 882 N LEU A 54 4.480 -3.791 5.171 1.00 0.00 N ATOM 883 CA LEU A 54 3.113 -3.584 5.634 1.00 0.00 C ATOM 884 C LEU A 54 2.323 -4.889 5.604 1.00 0.00 C ATOM 885 O LEU A 54 1.356 -5.023 4.853 1.00 0.00 O ATOM 886 CB LEU A 54 2.416 -2.517 4.779 1.00 0.00 C ATOM 887 CG LEU A 54 3.151 -1.173 4.685 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.351 -0.200 3.830 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.364 -0.613 6.084 1.00 0.00 C ATOM 0 H LEU A 54 4.624 -3.594 4.181 1.00 0.00 H new ATOM 0 HA LEU A 54 3.153 -3.235 6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.283 -2.911 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.421 -2.341 5.187 1.00 0.00 H new ATOM 0 HG LEU A 54 4.123 -1.321 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.880 0.751 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.228 -0.612 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.371 -0.041 4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.886 0.342 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.398 -0.466 6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.960 -1.313 6.669 1.00 0.00 H new ATOM 901 N ALA A 55 2.741 -5.847 6.424 1.00 0.00 N ATOM 902 CA ALA A 55 2.230 -7.208 6.331 1.00 0.00 C ATOM 903 C ALA A 55 0.976 -7.384 7.180 1.00 0.00 C ATOM 904 O ALA A 55 0.150 -8.257 6.913 1.00 0.00 O ATOM 905 CB ALA A 55 3.301 -8.204 6.756 1.00 0.00 C ATOM 0 H ALA A 55 3.432 -5.705 7.160 1.00 0.00 H new ATOM 0 HA ALA A 55 1.963 -7.398 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.906 -9.217 6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.169 -8.105 6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.595 -8.004 7.786 1.00 0.00 H new ATOM 911 N ASP A 56 0.840 -6.549 8.205 1.00 0.00 N ATOM 912 CA ASP A 56 -0.230 -6.707 9.183 1.00 0.00 C ATOM 913 C ASP A 56 -1.470 -5.921 8.766 1.00 0.00 C ATOM 914 O ASP A 56 -1.464 -4.691 8.765 1.00 0.00 O ATOM 915 CB ASP A 56 0.239 -6.258 10.569 1.00 0.00 C ATOM 916 CG ASP A 56 -0.788 -6.458 11.676 1.00 0.00 C ATOM 917 OD1 ASP A 56 -1.909 -6.788 11.367 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.409 -6.435 12.823 1.00 0.00 O ATOM 0 H ASP A 56 1.457 -5.756 8.380 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.493 -7.764 9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.145 -6.806 10.828 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.506 -5.202 10.524 1.00 0.00 H new ATOM 923 N ASP A 57 -2.526 -6.642 8.409 1.00 0.00 N ATOM 924 CA ASP A 57 -3.726 -6.018 7.859 1.00 0.00 C ATOM 925 C ASP A 57 -4.430 -5.170 8.915 1.00 0.00 C ATOM 926 O ASP A 57 -5.095 -4.187 8.592 1.00 0.00 O ATOM 927 CB ASP A 57 -4.682 -7.080 7.311 1.00 0.00 C ATOM 928 CG ASP A 57 -4.233 -7.713 6.001 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.332 -7.191 5.389 1.00 0.00 O ATOM 930 OD2 ASP A 57 -4.683 -8.795 5.703 1.00 0.00 O ATOM 0 H ASP A 57 -2.577 -7.658 8.490 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.422 -5.366 7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.801 -7.865 8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.663 -6.628 7.165 1.00 0.00 H new ATOM 935 N TYR A 58 -4.278 -5.559 10.176 1.00 0.00 N ATOM 936 CA TYR A 58 -5.030 -4.942 11.262 1.00 0.00 C ATOM 937 C TYR A 58 -4.229 -3.815 11.907 1.00 0.00 C ATOM 938 O TYR A 58 -4.745 -3.068 12.737 1.00 0.00 O ATOM 939 CB TYR A 58 -5.410 -5.986 12.314 1.00 0.00 C ATOM 940 CG TYR A 58 -6.353 -7.054 11.804 1.00 0.00 C ATOM 941 CD1 TYR A 58 -7.719 -6.823 11.737 1.00 0.00 C ATOM 942 CD2 TYR A 58 -5.875 -8.290 11.395 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.585 -7.794 11.273 1.00 0.00 C ATOM 944 CE2 TYR A 58 -6.732 -9.269 10.928 1.00 0.00 C ATOM 945 CZ TYR A 58 -8.088 -9.016 10.869 1.00 0.00 C ATOM 946 OH TYR A 58 -8.946 -9.986 10.407 1.00 0.00 O ATOM 0 H TYR A 58 -3.641 -6.299 10.471 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.942 -4.520 10.841 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.502 -6.463 12.683 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.873 -5.481 13.162 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.112 -5.868 12.053 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.815 -8.491 11.442 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.646 -7.598 11.227 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.343 -10.226 10.611 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.435 -10.786 10.163 1.00 0.00 H new ATOM 956 N ARG A 59 -2.963 -3.699 11.517 1.00 0.00 N ATOM 957 CA ARG A 59 -2.114 -2.614 11.992 1.00 0.00 C ATOM 958 C ARG A 59 -2.352 -1.343 11.182 1.00 0.00 C ATOM 959 O ARG A 59 -2.430 -1.381 9.955 1.00 0.00 O ATOM 960 CB ARG A 59 -0.642 -3.000 12.009 1.00 0.00 C ATOM 961 CG ARG A 59 0.291 -1.939 12.571 1.00 0.00 C ATOM 962 CD ARG A 59 1.688 -2.400 12.777 1.00 0.00 C ATOM 963 NE ARG A 59 2.616 -1.351 13.167 1.00 0.00 N ATOM 964 CZ ARG A 59 3.928 -1.542 13.413 1.00 0.00 C ATOM 965 NH1 ARG A 59 4.461 -2.742 13.347 1.00 0.00 N ATOM 966 NH2 ARG A 59 4.659 -0.494 13.746 1.00 0.00 N ATOM 0 H ARG A 59 -2.504 -4.343 10.873 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.394 -2.412 13.026 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.527 -3.912 12.595 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.331 -3.234 10.991 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.299 -1.084 11.895 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.108 -1.589 13.523 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.692 -3.175 13.543 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.045 -2.860 11.856 1.00 0.00 H new ATOM 0 HE ARG A 59 2.249 -0.404 13.261 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.880 -3.545 13.107 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.455 -2.870 13.536 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.228 0.428 13.811 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.654 -0.607 13.938 1.00 0.00 H new ATOM 980 N ASN A 60 -2.468 -0.217 11.878 1.00 0.00 N ATOM 981 CA ASN A 60 -2.904 1.027 11.255 1.00 0.00 C ATOM 982 C ASN A 60 -1.758 1.684 10.492 1.00 0.00 C ATOM 983 O ASN A 60 -0.585 1.439 10.779 1.00 0.00 O ATOM 984 CB ASN A 60 -3.478 1.991 12.277 1.00 0.00 C ATOM 985 CG ASN A 60 -4.792 1.546 12.858 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.780 1.359 12.138 1.00 0.00 O ATOM 987 ND2 ASN A 60 -4.831 1.455 14.162 1.00 0.00 N ATOM 0 H ASN A 60 -2.266 -0.141 12.875 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.695 0.777 10.548 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.759 2.120 13.086 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.610 2.967 11.809 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.706 1.220 14.631 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.987 1.619 14.710 1.00 0.00 H new ATOM 994 N LEU A 61 -2.105 2.519 9.518 1.00 0.00 N ATOM 995 CA LEU A 61 -1.108 3.276 8.769 1.00 0.00 C ATOM 996 C LEU A 61 -0.308 4.188 9.694 1.00 0.00 C ATOM 997 O LEU A 61 0.909 4.310 9.560 1.00 0.00 O ATOM 998 CB LEU A 61 -1.786 4.095 7.663 1.00 0.00 C ATOM 999 CG LEU A 61 -2.357 3.274 6.500 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.231 4.156 5.618 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.217 2.668 5.695 1.00 0.00 C ATOM 0 H LEU A 61 -3.068 2.689 9.229 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.416 2.570 8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.594 4.677 8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.063 4.806 7.264 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.974 2.467 6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.632 3.564 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.053 4.560 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.634 4.976 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.625 2.085 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.587 3.465 5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.622 2.019 6.338 1.00 0.00 H new ATOM 1013 N ASN A 62 -1.001 4.825 10.633 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.343 5.644 11.645 1.00 0.00 C ATOM 1015 C ASN A 62 0.612 4.802 12.488 1.00 0.00 C ATOM 1016 O ASN A 62 1.721 5.234 12.802 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.353 6.346 12.534 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.727 7.198 13.604 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.011 8.147 13.317 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.953 6.814 14.835 1.00 0.00 N ATOM 0 H ASN A 62 -2.017 4.790 10.714 1.00 0.00 H new ATOM 0 HA ASN A 62 0.234 6.408 11.123 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.997 6.971 11.915 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.991 5.598 13.004 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.511 7.305 15.612 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.571 6.024 15.017 1.00 0.00 H new ATOM 1027 N GLU A 63 0.172 3.601 12.847 1.00 0.00 N ATOM 1028 CA GLU A 63 0.983 2.707 13.666 1.00 0.00 C ATOM 1029 C GLU A 63 2.233 2.261 12.913 1.00 0.00 C ATOM 1030 O GLU A 63 3.276 2.005 13.513 1.00 0.00 O ATOM 1031 CB GLU A 63 0.165 1.488 14.102 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.862 1.776 15.187 1.00 0.00 C ATOM 1033 CD GLU A 63 -1.745 0.584 15.433 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.702 -0.334 14.651 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -2.378 0.540 16.462 1.00 0.00 O ATOM 0 H GLU A 63 -0.739 3.225 12.585 1.00 0.00 H new ATOM 0 HA GLU A 63 1.296 3.255 14.555 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.349 1.080 13.231 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.847 0.717 14.460 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.352 2.050 16.110 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.473 2.630 14.895 1.00 0.00 H new ATOM 1042 N TYR A 64 2.117 2.170 11.592 1.00 0.00 N ATOM 1043 CA TYR A 64 3.249 1.792 10.751 1.00 0.00 C ATOM 1044 C TYR A 64 4.176 2.980 10.519 1.00 0.00 C ATOM 1045 O TYR A 64 5.341 2.812 10.163 1.00 0.00 O ATOM 1046 CB TYR A 64 2.759 1.235 9.412 1.00 0.00 C ATOM 1047 CG TYR A 64 2.676 -0.275 9.368 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.816 -1.053 9.506 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.460 -0.917 9.188 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.747 -2.431 9.467 1.00 0.00 C ATOM 1051 CE2 TYR A 64 1.379 -2.295 9.147 1.00 0.00 C ATOM 1052 CZ TYR A 64 2.526 -3.050 9.287 1.00 0.00 C ATOM 1053 OH TYR A 64 2.452 -4.423 9.247 1.00 0.00 O ATOM 0 H TYR A 64 1.253 2.352 11.081 1.00 0.00 H new ATOM 0 HA TYR A 64 3.810 1.015 11.270 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.774 1.649 9.196 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.428 1.575 8.622 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.773 -0.573 9.646 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.561 -0.329 9.078 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.644 -3.022 9.577 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.424 -2.779 9.006 1.00 0.00 H new ATOM 0 HH TYR A 64 2.631 -4.786 10.139 1.00 0.00 H new ATOM 1063 N GLY A 65 3.649 4.183 10.725 1.00 0.00 N ATOM 1064 CA GLY A 65 4.430 5.384 10.492 1.00 0.00 C ATOM 1065 C GLY A 65 4.295 5.897 9.072 1.00 0.00 C ATOM 1066 O GLY A 65 5.219 6.510 8.537 1.00 0.00 O ATOM 0 H GLY A 65 2.696 4.347 11.049 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.112 6.161 11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.479 5.178 10.702 1.00 0.00 H new ATOM 1070 N ILE A 66 3.142 5.645 8.462 1.00 0.00 N ATOM 1071 CA ILE A 66 2.902 6.059 7.084 1.00 0.00 C ATOM 1072 C ILE A 66 2.485 7.525 7.015 1.00 0.00 C ATOM 1073 O ILE A 66 1.505 7.934 7.638 1.00 0.00 O ATOM 1074 CB ILE A 66 1.817 5.194 6.415 1.00 0.00 C ATOM 1075 CG1 ILE A 66 2.208 3.715 6.468 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.595 5.638 4.978 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.509 3.401 5.765 1.00 0.00 C ATOM 0 H ILE A 66 2.360 5.157 8.899 1.00 0.00 H new ATOM 0 HA ILE A 66 3.841 5.926 6.547 1.00 0.00 H new ATOM 0 HB ILE A 66 0.883 5.323 6.962 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.286 3.407 7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.411 3.122 6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.825 5.017 4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.276 6.680 4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.525 5.536 4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.718 2.334 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.430 3.676 4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.318 3.966 6.228 1.00 0.00 H new ATOM 1089 N THR A 67 3.236 8.312 6.250 1.00 0.00 N ATOM 1090 CA THR A 67 3.013 9.751 6.183 1.00 0.00 C ATOM 1091 C THR A 67 2.454 10.158 4.824 1.00 0.00 C ATOM 1092 O THR A 67 2.200 9.311 3.969 1.00 0.00 O ATOM 1093 CB THR A 67 4.310 10.536 6.450 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.244 10.294 5.390 1.00 0.00 O ATOM 1095 CG2 THR A 67 4.929 10.110 7.772 1.00 0.00 C ATOM 0 H THR A 67 4.004 7.977 5.668 1.00 0.00 H new ATOM 0 HA THR A 67 2.287 9.994 6.959 1.00 0.00 H new ATOM 0 HB THR A 67 4.071 11.598 6.498 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.326 9.329 5.241 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.845 10.675 7.944 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.226 10.303 8.582 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.161 9.045 7.739 1.00 0.00 H new ATOM 1103 N GLU A 68 2.263 11.459 4.634 1.00 0.00 N ATOM 1104 CA GLU A 68 1.717 11.975 3.384 1.00 0.00 C ATOM 1105 C GLU A 68 2.671 11.709 2.223 1.00 0.00 C ATOM 1106 O GLU A 68 2.254 11.632 1.068 1.00 0.00 O ATOM 1107 CB GLU A 68 1.433 13.475 3.501 1.00 0.00 C ATOM 1108 CG GLU A 68 0.840 14.102 2.247 1.00 0.00 C ATOM 1109 CD GLU A 68 0.543 15.560 2.454 1.00 0.00 C ATOM 1110 OE1 GLU A 68 0.814 16.057 3.521 1.00 0.00 O ATOM 1111 OE2 GLU A 68 0.148 16.206 1.511 1.00 0.00 O ATOM 0 H GLU A 68 2.478 12.175 5.328 1.00 0.00 H new ATOM 0 HA GLU A 68 0.780 11.455 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.748 13.639 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.362 13.990 3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.535 13.985 1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.075 13.577 1.974 1.00 0.00 H new ATOM 1118 N PHE A 69 3.955 11.569 2.539 1.00 0.00 N ATOM 1119 CA PHE A 69 4.992 11.507 1.515 1.00 0.00 C ATOM 1120 C PHE A 69 5.635 10.124 1.476 1.00 0.00 C ATOM 1121 O PHE A 69 6.602 9.898 0.751 1.00 0.00 O ATOM 1122 CB PHE A 69 6.056 12.578 1.764 1.00 0.00 C ATOM 1123 CG PHE A 69 5.512 13.978 1.784 1.00 0.00 C ATOM 1124 CD1 PHE A 69 5.179 14.626 0.604 1.00 0.00 C ATOM 1125 CD2 PHE A 69 5.334 14.651 2.984 1.00 0.00 C ATOM 1126 CE1 PHE A 69 4.680 15.913 0.620 1.00 0.00 C ATOM 1127 CE2 PHE A 69 4.833 15.939 3.003 1.00 0.00 C ATOM 1128 CZ PHE A 69 4.507 16.571 1.823 1.00 0.00 C ATOM 0 H PHE A 69 4.302 11.496 3.495 1.00 0.00 H new ATOM 0 HA PHE A 69 4.525 11.696 0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.547 12.375 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.820 12.506 0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.312 14.117 -0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.590 14.163 3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.425 16.405 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.697 16.451 3.944 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.117 17.578 1.838 1.00 0.00 H new ATOM 1138 N SER A 70 5.089 9.202 2.264 1.00 0.00 N ATOM 1139 CA SER A 70 5.655 7.863 2.380 1.00 0.00 C ATOM 1140 C SER A 70 5.548 7.112 1.055 1.00 0.00 C ATOM 1141 O SER A 70 4.534 7.196 0.364 1.00 0.00 O ATOM 1142 CB SER A 70 4.959 7.095 3.485 1.00 0.00 C ATOM 1143 OG SER A 70 5.464 7.419 4.751 1.00 0.00 O ATOM 0 H SER A 70 4.256 9.358 2.831 1.00 0.00 H new ATOM 0 HA SER A 70 6.712 7.956 2.631 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.890 7.308 3.456 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.076 6.025 3.312 1.00 0.00 H new ATOM 0 HG SER A 70 6.127 6.750 5.020 1.00 0.00 H new ATOM 1149 N GLU A 71 6.601 6.378 0.711 1.00 0.00 N ATOM 1150 CA GLU A 71 6.645 5.651 -0.551 1.00 0.00 C ATOM 1151 C GLU A 71 6.614 4.144 -0.313 1.00 0.00 C ATOM 1152 O GLU A 71 7.386 3.615 0.489 1.00 0.00 O ATOM 1153 CB GLU A 71 7.892 6.035 -1.349 1.00 0.00 C ATOM 1154 CG GLU A 71 7.964 7.505 -1.737 1.00 0.00 C ATOM 1155 CD GLU A 71 9.343 7.882 -2.201 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.267 7.736 -1.437 1.00 0.00 O ATOM 1157 OE2 GLU A 71 9.491 8.209 -3.355 1.00 0.00 O ATOM 0 H GLU A 71 7.435 6.271 1.289 1.00 0.00 H new ATOM 0 HA GLU A 71 5.762 5.925 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.775 5.783 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.929 5.431 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.243 7.710 -2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.684 8.122 -0.884 1.00 0.00 H new ATOM 1164 N ILE A 72 5.718 3.457 -1.014 1.00 0.00 N ATOM 1165 CA ILE A 72 5.579 2.014 -0.869 1.00 0.00 C ATOM 1166 C ILE A 72 5.903 1.297 -2.173 1.00 0.00 C ATOM 1167 O ILE A 72 5.595 1.789 -3.260 1.00 0.00 O ATOM 1168 CB ILE A 72 4.158 1.627 -0.420 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.129 2.062 -1.467 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.840 2.247 0.933 1.00 0.00 C ATOM 1171 CD1 ILE A 72 1.747 1.491 -1.239 1.00 0.00 C ATOM 0 H ILE A 72 5.078 3.877 -1.688 1.00 0.00 H new ATOM 0 HA ILE A 72 6.289 1.704 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 72 4.110 0.543 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.066 3.150 -1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.479 1.759 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.832 1.963 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.555 1.890 1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.905 3.333 0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.074 1.844 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.794 0.402 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.375 1.815 -0.267 1.00 0.00 H new ATOM 1183 N VAL A 73 6.528 0.127 -2.061 1.00 0.00 N ATOM 1184 CA VAL A 73 6.813 -0.702 -3.225 1.00 0.00 C ATOM 1185 C VAL A 73 5.892 -1.916 -3.273 1.00 0.00 C ATOM 1186 O VAL A 73 5.812 -2.686 -2.316 1.00 0.00 O ATOM 1187 CB VAL A 73 8.277 -1.178 -3.235 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.540 -2.065 -4.444 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.224 0.012 -3.233 1.00 0.00 C ATOM 0 H VAL A 73 6.846 -0.266 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 73 6.638 -0.082 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 73 8.456 -1.762 -2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.580 -2.393 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.885 -2.935 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.344 -1.503 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.255 -0.343 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.044 0.622 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.053 0.612 -2.339 1.00 0.00 H new ATOM 1199 N VAL A 74 5.197 -2.081 -4.395 1.00 0.00 N ATOM 1200 CA VAL A 74 4.136 -3.077 -4.497 1.00 0.00 C ATOM 1201 C VAL A 74 4.423 -4.073 -5.616 1.00 0.00 C ATOM 1202 O VAL A 74 4.829 -3.689 -6.713 1.00 0.00 O ATOM 1203 CB VAL A 74 2.766 -2.419 -4.747 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.668 -3.471 -4.780 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.472 -1.379 -3.677 1.00 0.00 C ATOM 0 H VAL A 74 5.350 -1.538 -5.245 1.00 0.00 H new ATOM 0 HA VAL A 74 4.106 -3.604 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 74 2.796 -1.920 -5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.707 -2.988 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.870 -4.183 -5.580 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.639 -3.997 -3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.500 -0.924 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.461 -1.857 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.243 -0.609 -3.696 1.00 0.00 H new ATOM 1215 N PHE A 75 4.209 -5.353 -5.330 1.00 0.00 N ATOM 1216 CA PHE A 75 4.480 -6.408 -6.298 1.00 0.00 C ATOM 1217 C PHE A 75 3.197 -7.133 -6.689 1.00 0.00 C ATOM 1218 O PHE A 75 2.340 -7.401 -5.845 1.00 0.00 O ATOM 1219 CB PHE A 75 5.498 -7.402 -5.735 1.00 0.00 C ATOM 1220 CG PHE A 75 6.806 -6.775 -5.345 1.00 0.00 C ATOM 1221 CD1 PHE A 75 7.821 -6.616 -6.276 1.00 0.00 C ATOM 1222 CD2 PHE A 75 7.024 -6.341 -4.046 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.025 -6.041 -5.918 1.00 0.00 C ATOM 1224 CE2 PHE A 75 8.226 -5.763 -3.685 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.227 -5.614 -4.621 1.00 0.00 C ATOM 0 H PHE A 75 3.849 -5.684 -4.435 1.00 0.00 H new ATOM 0 HA PHE A 75 4.898 -5.946 -7.192 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.067 -7.894 -4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.685 -8.177 -6.478 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.669 -6.946 -7.293 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.245 -6.456 -3.307 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.808 -5.926 -6.653 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.381 -5.428 -2.670 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.168 -5.164 -4.340 1.00 0.00 H new