USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 627 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 Single : A 1 PHE N :NH3+ 156:sc= 0.885 (180deg=0.017) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0135 K(o=-0.014,f=-1.8) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= -0.0555 (180deg=-0.386) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0353 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.91 USER MOD Single : A 19 SER OG : rot 180:sc= -0.121 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= -2.75! (180deg=-5.5!) USER MOD Single : A 29 HIS : no HD1:sc= -0.009 X(o=-0.009,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.143 USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.17 (180deg=-1.28!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -166:sc= -1.17 (180deg=-2.08) USER MOD Single : A 46 ASN : amide:sc= -0.976 K(o=-0.98,f=-3.3!) USER MOD Single : A 47 ASN : amide:sc= -6.27! C(o=-6.3!,f=-12!) USER MOD Single : A 48 THR OG1 : rot 55:sc= 0.0114 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0565 K(o=-0.056,f=-2!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.152) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= -0.879 (180deg=-1.4) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.38 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 14.730 26.783 -12.884 1.00 0.00 N ATOM 2 CA PHE A 1 14.447 25.756 -11.848 1.00 0.00 C ATOM 3 C PHE A 1 15.379 25.945 -10.654 1.00 0.00 C ATOM 4 O PHE A 1 15.703 25.001 -9.960 1.00 0.00 O ATOM 5 CB PHE A 1 14.671 24.345 -12.432 1.00 0.00 C ATOM 6 CG PHE A 1 14.156 24.303 -13.874 1.00 0.00 C ATOM 7 CD1 PHE A 1 12.798 24.371 -14.137 1.00 0.00 C ATOM 8 CD2 PHE A 1 15.041 24.193 -14.933 1.00 0.00 C ATOM 9 CE1 PHE A 1 12.336 24.328 -15.438 1.00 0.00 C ATOM 10 CE2 PHE A 1 14.576 24.150 -16.230 1.00 0.00 C ATOM 11 CZ PHE A 1 13.225 24.218 -16.483 1.00 0.00 C ATOM 0 H1 PHE A 1 14.418 26.434 -13.813 1.00 0.00 H new ATOM 0 H2 PHE A 1 14.219 27.659 -12.653 1.00 0.00 H new ATOM 0 H3 PHE A 1 15.752 26.975 -12.912 1.00 0.00 H new ATOM 0 HA PHE A 1 13.411 25.865 -11.527 1.00 0.00 H new ATOM 0 HB2 PHE A 1 15.731 24.093 -12.405 1.00 0.00 H new ATOM 0 HB3 PHE A 1 14.151 23.602 -11.827 1.00 0.00 H new ATOM 0 HD1 PHE A 1 12.096 24.458 -13.321 1.00 0.00 H new ATOM 0 HD2 PHE A 1 16.103 24.141 -14.742 1.00 0.00 H new ATOM 0 HE1 PHE A 1 11.276 24.381 -15.636 1.00 0.00 H new ATOM 0 HE2 PHE A 1 15.274 24.063 -17.050 1.00 0.00 H new ATOM 0 HZ PHE A 1 12.863 24.185 -17.500 1.00 0.00 H new ATOM 23 N LYS A 2 15.790 27.161 -10.441 1.00 0.00 N ATOM 24 CA LYS A 2 16.701 27.441 -9.303 1.00 0.00 C ATOM 25 C LYS A 2 16.049 27.059 -7.973 1.00 0.00 C ATOM 26 O LYS A 2 15.317 27.832 -7.391 1.00 0.00 O ATOM 27 CB LYS A 2 17.023 28.960 -9.302 1.00 0.00 C ATOM 28 CG LYS A 2 17.075 29.460 -10.755 1.00 0.00 C ATOM 29 CD LYS A 2 17.801 30.811 -10.812 1.00 0.00 C ATOM 30 CE LYS A 2 17.496 31.487 -12.158 1.00 0.00 C ATOM 31 NZ LYS A 2 18.451 32.605 -12.416 1.00 0.00 N ATOM 0 H LYS A 2 15.535 27.971 -11.005 1.00 0.00 H new ATOM 0 HA LYS A 2 17.611 26.851 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.263 29.506 -8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.976 29.143 -8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.591 28.732 -11.382 1.00 0.00 H new ATOM 0 HG3 LYS A 2 16.065 29.562 -11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.476 31.448 -9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.875 30.666 -10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 2 17.561 30.754 -12.962 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.475 31.868 -12.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.228 33.048 -13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.369 33.313 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.422 32.234 -12.439 1.00 0.00 H new ATOM 45 N ASP A 3 16.331 25.861 -7.520 1.00 0.00 N ATOM 46 CA ASP A 3 15.743 25.394 -6.226 1.00 0.00 C ATOM 47 C ASP A 3 16.792 24.585 -5.426 1.00 0.00 C ATOM 48 O ASP A 3 16.652 23.392 -5.239 1.00 0.00 O ATOM 49 CB ASP A 3 14.528 24.485 -6.568 1.00 0.00 C ATOM 50 CG ASP A 3 13.507 24.524 -5.431 1.00 0.00 C ATOM 51 OD1 ASP A 3 13.025 25.616 -5.173 1.00 0.00 O ATOM 52 OD2 ASP A 3 13.261 23.460 -4.888 1.00 0.00 O ATOM 0 H ASP A 3 16.940 25.190 -7.988 1.00 0.00 H new ATOM 0 HA ASP A 3 15.433 26.244 -5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.064 24.819 -7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.864 23.461 -6.730 1.00 0.00 H new ATOM 57 N PRO A 4 17.842 25.276 -4.966 1.00 0.00 N ATOM 58 CA PRO A 4 18.907 24.628 -4.196 1.00 0.00 C ATOM 59 C PRO A 4 18.439 24.217 -2.801 1.00 0.00 C ATOM 60 O PRO A 4 18.164 23.058 -2.551 1.00 0.00 O ATOM 61 CB PRO A 4 20.038 25.704 -4.096 1.00 0.00 C ATOM 62 CG PRO A 4 19.434 27.053 -4.619 1.00 0.00 C ATOM 63 CD PRO A 4 18.032 26.727 -5.203 1.00 0.00 C ATOM 0 HA PRO A 4 19.238 23.708 -4.678 1.00 0.00 H new ATOM 0 HB2 PRO A 4 20.381 25.808 -3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 4 20.902 25.412 -4.692 1.00 0.00 H new ATOM 0 HG2 PRO A 4 19.355 27.779 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 4 20.077 27.493 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.255 27.312 -4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 4 17.983 26.962 -6.266 1.00 0.00 H new ATOM 71 N ASN A 5 18.362 25.170 -1.916 1.00 0.00 N ATOM 72 CA ASN A 5 17.921 24.849 -0.556 1.00 0.00 C ATOM 73 C ASN A 5 16.590 24.148 -0.605 1.00 0.00 C ATOM 74 O ASN A 5 16.500 22.990 -0.294 1.00 0.00 O ATOM 75 CB ASN A 5 17.770 26.161 0.234 1.00 0.00 C ATOM 76 CG ASN A 5 19.149 26.683 0.630 1.00 0.00 C ATOM 77 OD1 ASN A 5 20.150 26.350 0.029 1.00 0.00 O ATOM 78 ND2 ASN A 5 19.244 27.508 1.636 1.00 0.00 N ATOM 0 H ASN A 5 18.587 26.150 -2.086 1.00 0.00 H new ATOM 0 HA ASN A 5 18.652 24.199 -0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 5 17.249 26.903 -0.371 1.00 0.00 H new ATOM 0 HB3 ASN A 5 17.164 25.993 1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 5 20.156 27.870 1.914 1.00 0.00 H new ATOM 0 HD22 ASN A 5 18.406 27.791 2.144 1.00 0.00 H new ATOM 85 N ALA A 6 15.591 24.862 -1.055 1.00 0.00 N ATOM 86 CA ALA A 6 14.218 24.259 -1.143 1.00 0.00 C ATOM 87 C ALA A 6 14.307 22.873 -1.800 1.00 0.00 C ATOM 88 O ALA A 6 14.488 22.785 -2.995 1.00 0.00 O ATOM 89 CB ALA A 6 13.365 25.165 -2.039 1.00 0.00 C ATOM 0 H ALA A 6 15.661 25.831 -1.365 1.00 0.00 H new ATOM 0 HA ALA A 6 13.784 24.165 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.360 24.752 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.313 26.163 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.816 25.225 -3.030 1.00 0.00 H new ATOM 95 N PRO A 7 14.190 21.791 -1.015 1.00 0.00 N ATOM 96 CA PRO A 7 14.271 20.442 -1.562 1.00 0.00 C ATOM 97 C PRO A 7 12.899 19.744 -1.617 1.00 0.00 C ATOM 98 O PRO A 7 11.861 20.372 -1.649 1.00 0.00 O ATOM 99 CB PRO A 7 15.076 19.774 -0.462 1.00 0.00 C ATOM 100 CG PRO A 7 14.444 20.333 0.834 1.00 0.00 C ATOM 101 CD PRO A 7 14.063 21.788 0.475 1.00 0.00 C ATOM 0 HA PRO A 7 14.668 20.411 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.999 18.688 -0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 7 16.135 20.022 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 7 13.570 19.755 1.132 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.147 20.299 1.666 1.00 0.00 H new ATOM 0 HD2 PRO A 7 13.052 22.035 0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 7 14.732 22.511 0.942 1.00 0.00 H new ATOM 109 N LYS A 8 12.967 18.437 -1.622 1.00 0.00 N ATOM 110 CA LYS A 8 11.759 17.583 -1.665 1.00 0.00 C ATOM 111 C LYS A 8 12.003 16.435 -0.688 1.00 0.00 C ATOM 112 O LYS A 8 13.074 15.866 -0.671 1.00 0.00 O ATOM 113 CB LYS A 8 11.587 17.033 -3.077 1.00 0.00 C ATOM 114 CG LYS A 8 10.952 18.119 -3.962 1.00 0.00 C ATOM 115 CD LYS A 8 10.800 17.591 -5.394 1.00 0.00 C ATOM 116 CE LYS A 8 9.984 18.593 -6.217 1.00 0.00 C ATOM 117 NZ LYS A 8 8.569 18.623 -5.752 1.00 0.00 N ATOM 0 H LYS A 8 13.844 17.917 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 8 10.861 18.140 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.552 16.732 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.957 16.144 -3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.978 18.404 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.573 19.015 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.781 17.444 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.304 16.620 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.423 19.587 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.020 18.321 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.964 19.008 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.259 17.658 -5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.494 19.224 -4.906 1.00 0.00 H new ATOM 131 N ARG A 9 11.018 16.105 0.101 1.00 0.00 N ATOM 132 CA ARG A 9 11.198 14.997 1.088 1.00 0.00 C ATOM 133 C ARG A 9 10.510 13.658 0.697 1.00 0.00 C ATOM 134 O ARG A 9 9.464 13.665 0.076 1.00 0.00 O ATOM 135 CB ARG A 9 10.513 15.481 2.360 1.00 0.00 C ATOM 136 CG ARG A 9 11.212 16.765 2.873 1.00 0.00 C ATOM 137 CD ARG A 9 10.190 17.686 3.530 1.00 0.00 C ATOM 138 NE ARG A 9 9.153 18.037 2.525 1.00 0.00 N ATOM 139 CZ ARG A 9 8.094 18.688 2.907 1.00 0.00 C ATOM 140 NH1 ARG A 9 7.976 19.018 4.166 1.00 0.00 N ATOM 141 NH2 ARG A 9 7.185 18.980 2.022 1.00 0.00 N ATOM 0 H ARG A 9 10.100 16.550 0.107 1.00 0.00 H new ATOM 0 HA ARG A 9 12.265 14.788 1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.460 15.682 2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.552 14.704 3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.992 16.504 3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.699 17.280 2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.733 17.193 4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.677 18.587 3.902 1.00 0.00 H new ATOM 0 HE ARG A 9 9.270 17.771 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.707 18.765 4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.152 19.529 4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.311 18.699 1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.347 19.490 2.301 1.00 0.00 H new ATOM 155 N PRO A 10 11.136 12.500 1.060 1.00 0.00 N ATOM 156 CA PRO A 10 10.549 11.197 0.741 1.00 0.00 C ATOM 157 C PRO A 10 9.421 10.893 1.782 1.00 0.00 C ATOM 158 O PRO A 10 9.604 11.162 2.954 1.00 0.00 O ATOM 159 CB PRO A 10 11.714 10.184 0.947 1.00 0.00 C ATOM 160 CG PRO A 10 12.791 10.914 1.807 1.00 0.00 C ATOM 161 CD PRO A 10 12.480 12.428 1.711 1.00 0.00 C ATOM 0 HA PRO A 10 10.126 11.152 -0.263 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.361 9.284 1.450 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.130 9.871 -0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.755 10.576 2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.793 10.700 1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.468 12.893 2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.234 12.950 1.122 1.00 0.00 H new ATOM 169 N PRO A 11 8.284 10.341 1.364 1.00 0.00 N ATOM 170 CA PRO A 11 7.210 10.043 2.312 1.00 0.00 C ATOM 171 C PRO A 11 7.515 8.733 3.047 1.00 0.00 C ATOM 172 O PRO A 11 8.662 8.396 3.266 1.00 0.00 O ATOM 173 CB PRO A 11 5.973 9.886 1.403 1.00 0.00 C ATOM 174 CG PRO A 11 6.526 9.410 0.050 1.00 0.00 C ATOM 175 CD PRO A 11 7.971 9.978 -0.034 1.00 0.00 C ATOM 0 HA PRO A 11 7.077 10.806 3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.269 9.164 1.817 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.438 10.830 1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.528 8.322 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.913 9.775 -0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.671 9.238 -0.422 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.024 10.844 -0.694 1.00 0.00 H new ATOM 183 N SER A 12 6.492 8.026 3.415 1.00 0.00 N ATOM 184 CA SER A 12 6.702 6.737 4.134 1.00 0.00 C ATOM 185 C SER A 12 6.933 5.610 3.122 1.00 0.00 C ATOM 186 O SER A 12 6.663 5.765 1.946 1.00 0.00 O ATOM 187 CB SER A 12 5.433 6.431 4.986 1.00 0.00 C ATOM 188 OG SER A 12 4.742 7.673 5.041 1.00 0.00 O ATOM 0 H SER A 12 5.518 8.280 3.252 1.00 0.00 H new ATOM 0 HA SER A 12 7.576 6.810 4.782 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.822 5.655 4.525 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.698 6.078 5.983 1.00 0.00 H new ATOM 0 HG SER A 12 3.920 7.567 5.564 1.00 0.00 H new ATOM 194 N ALA A 13 7.434 4.500 3.592 1.00 0.00 N ATOM 195 CA ALA A 13 7.682 3.377 2.668 1.00 0.00 C ATOM 196 C ALA A 13 6.395 2.861 2.095 1.00 0.00 C ATOM 197 O ALA A 13 6.241 2.751 0.895 1.00 0.00 O ATOM 198 CB ALA A 13 8.351 2.230 3.440 1.00 0.00 C ATOM 0 H ALA A 13 7.678 4.331 4.568 1.00 0.00 H new ATOM 0 HA ALA A 13 8.321 3.733 1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.537 1.396 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.296 2.576 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.695 1.903 4.247 1.00 0.00 H new ATOM 204 N PHE A 14 5.484 2.551 2.961 1.00 0.00 N ATOM 205 CA PHE A 14 4.184 2.031 2.491 1.00 0.00 C ATOM 206 C PHE A 14 3.315 3.162 1.924 1.00 0.00 C ATOM 207 O PHE A 14 2.227 2.929 1.453 1.00 0.00 O ATOM 208 CB PHE A 14 3.491 1.294 3.703 1.00 0.00 C ATOM 209 CG PHE A 14 2.053 1.770 3.975 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.800 3.090 4.256 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.995 0.859 3.967 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.522 3.519 4.523 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.291 1.283 4.237 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.530 2.617 4.516 1.00 0.00 C ATOM 0 H PHE A 14 5.583 2.635 3.973 1.00 0.00 H new ATOM 0 HA PHE A 14 4.326 1.322 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.478 0.222 3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.091 1.446 4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.615 3.799 4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.183 -0.182 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.337 4.561 4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.107 0.576 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.534 2.954 4.728 1.00 0.00 H new ATOM 224 N PHE A 15 3.781 4.383 2.031 1.00 0.00 N ATOM 225 CA PHE A 15 2.960 5.486 1.484 1.00 0.00 C ATOM 226 C PHE A 15 3.054 5.425 -0.005 1.00 0.00 C ATOM 227 O PHE A 15 2.074 5.533 -0.711 1.00 0.00 O ATOM 228 CB PHE A 15 3.495 6.837 1.960 1.00 0.00 C ATOM 229 CG PHE A 15 2.581 7.918 1.401 1.00 0.00 C ATOM 230 CD1 PHE A 15 1.303 8.071 1.905 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.995 8.734 0.361 1.00 0.00 C ATOM 232 CE1 PHE A 15 0.455 9.018 1.380 1.00 0.00 C ATOM 233 CE2 PHE A 15 2.142 9.682 -0.162 1.00 0.00 C ATOM 234 CZ PHE A 15 0.873 9.824 0.347 1.00 0.00 C ATOM 0 H PHE A 15 4.667 4.650 2.461 1.00 0.00 H new ATOM 0 HA PHE A 15 1.929 5.382 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.515 6.878 3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.519 6.986 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.968 7.442 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.991 8.627 -0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.542 9.129 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.471 10.314 -0.973 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.205 10.567 -0.064 1.00 0.00 H new ATOM 244 N LEU A 16 4.255 5.258 -0.462 1.00 0.00 N ATOM 245 CA LEU A 16 4.473 5.173 -1.904 1.00 0.00 C ATOM 246 C LEU A 16 3.660 4.015 -2.427 1.00 0.00 C ATOM 247 O LEU A 16 3.370 3.916 -3.600 1.00 0.00 O ATOM 248 CB LEU A 16 5.953 4.839 -2.142 1.00 0.00 C ATOM 249 CG LEU A 16 6.855 5.871 -1.458 1.00 0.00 C ATOM 250 CD1 LEU A 16 8.285 5.297 -1.376 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.859 7.175 -2.274 1.00 0.00 C ATOM 0 H LEU A 16 5.094 5.177 0.113 1.00 0.00 H new ATOM 0 HA LEU A 16 4.195 6.107 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.173 3.843 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.160 4.820 -3.212 1.00 0.00 H new ATOM 0 HG LEU A 16 6.485 6.086 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.940 6.021 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.274 4.373 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.653 5.091 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.501 7.908 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.234 6.975 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.844 7.567 -2.338 1.00 0.00 H new ATOM 263 N PHE A 17 3.309 3.151 -1.508 1.00 0.00 N ATOM 264 CA PHE A 17 2.515 1.961 -1.857 1.00 0.00 C ATOM 265 C PHE A 17 1.016 2.238 -1.704 1.00 0.00 C ATOM 266 O PHE A 17 0.219 1.770 -2.477 1.00 0.00 O ATOM 267 CB PHE A 17 2.941 0.883 -0.871 1.00 0.00 C ATOM 268 CG PHE A 17 2.085 -0.342 -0.996 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.853 -0.389 -0.371 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.555 -1.452 -1.659 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.104 -1.532 -0.406 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.804 -2.596 -1.699 1.00 0.00 C ATOM 273 CZ PHE A 17 0.579 -2.636 -1.066 1.00 0.00 C ATOM 0 H PHE A 17 3.548 3.232 -0.520 1.00 0.00 H new ATOM 0 HA PHE A 17 2.683 1.666 -2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.984 0.619 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.877 1.271 0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.480 0.482 0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.517 -1.421 -2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.858 -1.565 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.170 -3.465 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.009 -3.542 -1.090 1.00 0.00 H new ATOM 283 N CYS A 18 0.663 2.984 -0.683 1.00 0.00 N ATOM 284 CA CYS A 18 -0.770 3.303 -0.464 1.00 0.00 C ATOM 285 C CYS A 18 -1.405 3.921 -1.709 1.00 0.00 C ATOM 286 O CYS A 18 -2.246 3.318 -2.345 1.00 0.00 O ATOM 287 CB CYS A 18 -0.865 4.321 0.689 1.00 0.00 C ATOM 288 SG CYS A 18 -2.436 5.193 0.904 1.00 0.00 S ATOM 0 H CYS A 18 1.307 3.381 0.001 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.300 2.380 -0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.640 3.799 1.619 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.083 5.067 0.545 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.346 6.006 1.914 1.00 0.00 H new ATOM 294 N SER A 19 -0.984 5.115 -2.037 1.00 0.00 N ATOM 295 CA SER A 19 -1.540 5.792 -3.223 1.00 0.00 C ATOM 296 C SER A 19 -1.598 4.850 -4.419 1.00 0.00 C ATOM 297 O SER A 19 -2.492 4.926 -5.238 1.00 0.00 O ATOM 298 CB SER A 19 -0.620 6.986 -3.546 1.00 0.00 C ATOM 299 OG SER A 19 0.421 6.440 -4.353 1.00 0.00 O ATOM 0 H SER A 19 -0.277 5.644 -1.527 1.00 0.00 H new ATOM 0 HA SER A 19 -2.558 6.122 -3.016 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.161 7.769 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.221 7.434 -2.636 1.00 0.00 H new ATOM 0 HG SER A 19 1.050 7.150 -4.600 1.00 0.00 H new ATOM 305 N GLU A 20 -0.639 3.982 -4.492 1.00 0.00 N ATOM 306 CA GLU A 20 -0.603 3.024 -5.613 1.00 0.00 C ATOM 307 C GLU A 20 -1.680 1.944 -5.454 1.00 0.00 C ATOM 308 O GLU A 20 -2.391 1.635 -6.387 1.00 0.00 O ATOM 309 CB GLU A 20 0.803 2.362 -5.619 1.00 0.00 C ATOM 310 CG GLU A 20 0.820 1.140 -6.548 1.00 0.00 C ATOM 311 CD GLU A 20 0.325 1.553 -7.934 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.157 2.048 -8.680 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.855 1.354 -8.171 1.00 0.00 O ATOM 0 H GLU A 20 0.123 3.896 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.797 3.547 -6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.550 3.085 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.073 2.060 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.829 0.734 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.186 0.352 -6.143 1.00 0.00 H new ATOM 320 N TYR A 21 -1.756 1.375 -4.276 1.00 0.00 N ATOM 321 CA TYR A 21 -2.765 0.313 -4.014 1.00 0.00 C ATOM 322 C TYR A 21 -4.080 0.861 -3.466 1.00 0.00 C ATOM 323 O TYR A 21 -4.849 0.133 -2.889 1.00 0.00 O ATOM 324 CB TYR A 21 -2.151 -0.634 -2.965 1.00 0.00 C ATOM 325 CG TYR A 21 -1.233 -1.633 -3.644 1.00 0.00 C ATOM 326 CD1 TYR A 21 0.092 -1.327 -3.842 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.708 -2.865 -4.038 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.940 -2.246 -4.423 1.00 0.00 C ATOM 329 CE2 TYR A 21 -0.865 -3.784 -4.620 1.00 0.00 C ATOM 330 CZ TYR A 21 0.465 -3.484 -4.818 1.00 0.00 C ATOM 331 OH TYR A 21 1.308 -4.404 -5.408 1.00 0.00 O ATOM 0 H TYR A 21 -1.157 1.605 -3.483 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.999 -0.186 -4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.593 -0.059 -2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.942 -1.159 -2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.471 -0.362 -3.541 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.749 -3.111 -3.889 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.981 -1.998 -4.571 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.249 -4.747 -4.924 1.00 0.00 H new ATOM 0 HH TYR A 21 0.806 -5.219 -5.620 1.00 0.00 H new ATOM 341 N ARG A 22 -4.318 2.115 -3.645 1.00 0.00 N ATOM 342 CA ARG A 22 -5.602 2.685 -3.119 1.00 0.00 C ATOM 343 C ARG A 22 -6.799 2.391 -4.066 1.00 0.00 C ATOM 344 O ARG A 22 -7.880 2.079 -3.610 1.00 0.00 O ATOM 345 CB ARG A 22 -5.454 4.240 -2.917 1.00 0.00 C ATOM 346 CG ARG A 22 -6.128 4.658 -1.586 1.00 0.00 C ATOM 347 CD ARG A 22 -6.094 6.184 -1.448 1.00 0.00 C ATOM 348 NE ARG A 22 -4.680 6.620 -1.244 1.00 0.00 N ATOM 349 CZ ARG A 22 -4.428 7.767 -0.652 1.00 0.00 C ATOM 350 NH1 ARG A 22 -5.426 8.514 -0.253 1.00 0.00 N ATOM 351 NH2 ARG A 22 -3.184 8.119 -0.466 1.00 0.00 N ATOM 0 H ARG A 22 -3.702 2.773 -4.122 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.809 2.204 -2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.400 4.517 -2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.913 4.771 -3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.159 4.304 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.612 4.195 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.508 6.653 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.711 6.500 -0.607 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.912 6.030 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.386 8.204 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.243 9.406 0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.429 7.508 -0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.968 9.005 -0.009 1.00 0.00 H new ATOM 365 N PRO A 23 -6.579 2.495 -5.380 1.00 0.00 N ATOM 366 CA PRO A 23 -7.638 2.242 -6.357 1.00 0.00 C ATOM 367 C PRO A 23 -7.772 0.737 -6.664 1.00 0.00 C ATOM 368 O PRO A 23 -8.840 0.260 -6.992 1.00 0.00 O ATOM 369 CB PRO A 23 -7.160 3.002 -7.632 1.00 0.00 C ATOM 370 CG PRO A 23 -5.640 3.328 -7.415 1.00 0.00 C ATOM 371 CD PRO A 23 -5.293 2.893 -5.966 1.00 0.00 C ATOM 0 HA PRO A 23 -8.613 2.568 -5.996 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.302 2.391 -8.523 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.736 3.916 -7.777 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.023 2.794 -8.138 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.448 4.392 -7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.582 2.067 -5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.838 3.709 -5.405 1.00 0.00 H new ATOM 379 N LYS A 24 -6.678 0.025 -6.549 1.00 0.00 N ATOM 380 CA LYS A 24 -6.719 -1.423 -6.829 1.00 0.00 C ATOM 381 C LYS A 24 -7.805 -2.092 -6.017 1.00 0.00 C ATOM 382 O LYS A 24 -8.681 -2.739 -6.558 1.00 0.00 O ATOM 383 CB LYS A 24 -5.360 -2.031 -6.436 1.00 0.00 C ATOM 384 CG LYS A 24 -4.229 -1.353 -7.234 1.00 0.00 C ATOM 385 CD LYS A 24 -4.255 -1.826 -8.698 1.00 0.00 C ATOM 386 CE LYS A 24 -2.929 -1.459 -9.369 1.00 0.00 C ATOM 387 NZ LYS A 24 -3.032 -1.617 -10.845 1.00 0.00 N ATOM 0 H LYS A 24 -5.767 0.392 -6.274 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.926 -1.578 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.190 -1.902 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.362 -3.103 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.343 -0.270 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.265 -1.590 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.412 -2.904 -8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.086 -1.361 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.663 -0.430 -9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.131 -2.094 -8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.124 -1.364 -11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.264 -2.605 -11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.779 -0.993 -11.210 1.00 0.00 H new ATOM 401 N ILE A 25 -7.732 -1.931 -4.733 1.00 0.00 N ATOM 402 CA ILE A 25 -8.750 -2.549 -3.873 1.00 0.00 C ATOM 403 C ILE A 25 -10.075 -1.806 -4.038 1.00 0.00 C ATOM 404 O ILE A 25 -11.067 -2.384 -4.438 1.00 0.00 O ATOM 405 CB ILE A 25 -8.273 -2.463 -2.390 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.277 -1.299 -2.215 1.00 0.00 C ATOM 407 CG2 ILE A 25 -7.562 -3.799 -2.014 1.00 0.00 C ATOM 408 CD1 ILE A 25 -7.247 -0.842 -0.743 1.00 0.00 C ATOM 0 H ILE A 25 -7.010 -1.398 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.893 -3.593 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.135 -2.293 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.281 -1.613 -2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.564 -0.466 -2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.223 -3.752 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.260 -4.628 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.705 -3.952 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.540 -0.020 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.241 -0.509 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.938 -1.674 -0.110 1.00 0.00 H new ATOM 420 N LYS A 26 -10.065 -0.531 -3.732 1.00 0.00 N ATOM 421 CA LYS A 26 -11.310 0.256 -3.867 1.00 0.00 C ATOM 422 C LYS A 26 -11.906 0.009 -5.245 1.00 0.00 C ATOM 423 O LYS A 26 -13.093 0.159 -5.456 1.00 0.00 O ATOM 424 CB LYS A 26 -10.964 1.758 -3.720 1.00 0.00 C ATOM 425 CG LYS A 26 -12.267 2.595 -3.650 1.00 0.00 C ATOM 426 CD LYS A 26 -12.797 2.625 -2.207 1.00 0.00 C ATOM 427 CE LYS A 26 -13.990 3.587 -2.135 1.00 0.00 C ATOM 428 NZ LYS A 26 -14.890 3.394 -3.306 1.00 0.00 N ATOM 0 H LYS A 26 -9.252 -0.013 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.027 -0.038 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.370 1.917 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.357 2.085 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.076 3.610 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.019 2.168 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.100 1.625 -1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.011 2.947 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.544 3.419 -1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.633 4.617 -2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.872 3.591 -3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.611 4.043 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.817 2.413 -3.642 1.00 0.00 H new ATOM 442 N GLY A 27 -11.060 -0.392 -6.155 1.00 0.00 N ATOM 443 CA GLY A 27 -11.539 -0.662 -7.527 1.00 0.00 C ATOM 444 C GLY A 27 -12.546 -1.796 -7.486 1.00 0.00 C ATOM 445 O GLY A 27 -13.699 -1.626 -7.833 1.00 0.00 O ATOM 0 H GLY A 27 -10.063 -0.542 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.997 0.233 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.701 -0.926 -8.173 1.00 0.00 H new ATOM 449 N GLU A 28 -12.087 -2.940 -7.067 1.00 0.00 N ATOM 450 CA GLU A 28 -12.981 -4.092 -6.988 1.00 0.00 C ATOM 451 C GLU A 28 -13.898 -3.934 -5.784 1.00 0.00 C ATOM 452 O GLU A 28 -14.769 -4.746 -5.545 1.00 0.00 O ATOM 453 CB GLU A 28 -12.127 -5.354 -6.806 1.00 0.00 C ATOM 454 CG GLU A 28 -11.107 -5.451 -7.942 1.00 0.00 C ATOM 455 CD GLU A 28 -11.841 -5.697 -9.262 1.00 0.00 C ATOM 456 OE1 GLU A 28 -12.105 -6.857 -9.527 1.00 0.00 O ATOM 457 OE2 GLU A 28 -12.097 -4.709 -9.931 1.00 0.00 O ATOM 0 H GLU A 28 -11.124 -3.113 -6.778 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.581 -4.167 -7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.614 -5.323 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.764 -6.239 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.525 -4.532 -8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.404 -6.261 -7.747 1.00 0.00 H new ATOM 464 N HIS A 29 -13.671 -2.866 -5.042 1.00 0.00 N ATOM 465 CA HIS A 29 -14.497 -2.588 -3.831 1.00 0.00 C ATOM 466 C HIS A 29 -14.955 -1.118 -3.811 1.00 0.00 C ATOM 467 O HIS A 29 -14.482 -0.336 -3.012 1.00 0.00 O ATOM 468 CB HIS A 29 -13.597 -2.808 -2.605 1.00 0.00 C ATOM 469 CG HIS A 29 -13.251 -4.292 -2.470 1.00 0.00 C ATOM 470 ND1 HIS A 29 -13.876 -5.105 -1.763 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.233 -5.019 -3.054 1.00 0.00 C ATOM 472 CE1 HIS A 29 -13.378 -6.265 -1.837 1.00 0.00 C ATOM 473 NE2 HIS A 29 -12.319 -6.314 -2.645 1.00 0.00 N ATOM 0 H HIS A 29 -12.943 -2.177 -5.231 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.372 -3.238 -3.830 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.684 -2.221 -2.704 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.104 -2.461 -1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.488 -4.623 -3.728 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.767 -7.120 -1.305 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -11.730 -7.110 -2.891 1.00 0.00 H new ATOM 481 N PRO A 30 -15.875 -0.762 -4.697 1.00 0.00 N ATOM 482 CA PRO A 30 -16.369 0.612 -4.757 1.00 0.00 C ATOM 483 C PRO A 30 -17.162 0.991 -3.487 1.00 0.00 C ATOM 484 O PRO A 30 -18.378 1.032 -3.497 1.00 0.00 O ATOM 485 CB PRO A 30 -17.288 0.652 -6.028 1.00 0.00 C ATOM 486 CG PRO A 30 -17.407 -0.821 -6.553 1.00 0.00 C ATOM 487 CD PRO A 30 -16.454 -1.691 -5.690 1.00 0.00 C ATOM 0 HA PRO A 30 -15.552 1.331 -4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.271 1.054 -5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.861 1.301 -6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.434 -1.177 -6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.133 -0.878 -7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.995 -2.502 -5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.676 -2.149 -6.302 1.00 0.00 H new ATOM 495 N GLY A 31 -16.454 1.249 -2.405 1.00 0.00 N ATOM 496 CA GLY A 31 -17.172 1.625 -1.142 1.00 0.00 C ATOM 497 C GLY A 31 -16.377 1.263 0.126 1.00 0.00 C ATOM 498 O GLY A 31 -16.960 0.873 1.117 1.00 0.00 O ATOM 0 H GLY A 31 -15.436 1.216 -2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.370 2.697 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -18.139 1.122 -1.115 1.00 0.00 H new ATOM 502 N LEU A 32 -15.070 1.389 0.090 1.00 0.00 N ATOM 503 CA LEU A 32 -14.291 1.043 1.320 1.00 0.00 C ATOM 504 C LEU A 32 -14.365 2.161 2.343 1.00 0.00 C ATOM 505 O LEU A 32 -14.562 3.312 2.010 1.00 0.00 O ATOM 506 CB LEU A 32 -12.781 0.871 0.977 1.00 0.00 C ATOM 507 CG LEU A 32 -12.478 -0.458 0.264 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.948 -0.615 0.212 1.00 0.00 C ATOM 509 CD2 LEU A 32 -13.061 -1.648 1.051 1.00 0.00 C ATOM 0 H LEU A 32 -14.524 1.706 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.720 0.122 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.461 1.699 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.196 0.927 1.895 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.922 -0.447 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.695 -1.550 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.515 0.220 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.549 -0.627 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.834 -2.577 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.620 -1.676 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.142 -1.534 1.136 1.00 0.00 H new ATOM 521 N SER A 33 -14.203 1.786 3.579 1.00 0.00 N ATOM 522 CA SER A 33 -14.245 2.772 4.672 1.00 0.00 C ATOM 523 C SER A 33 -12.819 3.196 4.992 1.00 0.00 C ATOM 524 O SER A 33 -11.902 2.424 4.819 1.00 0.00 O ATOM 525 CB SER A 33 -14.858 2.099 5.912 1.00 0.00 C ATOM 526 OG SER A 33 -13.876 1.159 6.319 1.00 0.00 O ATOM 0 H SER A 33 -14.042 0.823 3.874 1.00 0.00 H new ATOM 0 HA SER A 33 -14.839 3.640 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.064 2.825 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.803 1.610 5.674 1.00 0.00 H new ATOM 0 HG SER A 33 -14.190 0.681 7.115 1.00 0.00 H new ATOM 532 N ILE A 34 -12.637 4.404 5.436 1.00 0.00 N ATOM 533 CA ILE A 34 -11.254 4.835 5.752 1.00 0.00 C ATOM 534 C ILE A 34 -10.575 3.805 6.640 1.00 0.00 C ATOM 535 O ILE A 34 -9.375 3.618 6.577 1.00 0.00 O ATOM 536 CB ILE A 34 -11.314 6.173 6.499 1.00 0.00 C ATOM 537 CG1 ILE A 34 -12.169 7.166 5.717 1.00 0.00 C ATOM 538 CG2 ILE A 34 -9.883 6.747 6.622 1.00 0.00 C ATOM 539 CD1 ILE A 34 -12.126 8.537 6.412 1.00 0.00 C ATOM 0 H ILE A 34 -13.369 5.098 5.591 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.688 4.938 4.826 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.747 6.013 7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.801 7.253 4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.197 6.809 5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.917 7.699 7.152 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.256 6.046 7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.466 6.901 5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.736 9.247 5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.514 8.443 7.426 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.097 8.894 6.449 1.00 0.00 H new ATOM 551 N GLY A 35 -11.354 3.155 7.449 1.00 0.00 N ATOM 552 CA GLY A 35 -10.772 2.133 8.347 1.00 0.00 C ATOM 553 C GLY A 35 -10.313 0.918 7.539 1.00 0.00 C ATOM 554 O GLY A 35 -9.394 0.239 7.918 1.00 0.00 O ATOM 0 H GLY A 35 -12.363 3.286 7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.928 2.556 8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.510 1.828 9.089 1.00 0.00 H new ATOM 558 N ASP A 36 -10.964 0.675 6.426 1.00 0.00 N ATOM 559 CA ASP A 36 -10.572 -0.496 5.584 1.00 0.00 C ATOM 560 C ASP A 36 -9.455 -0.161 4.629 1.00 0.00 C ATOM 561 O ASP A 36 -8.476 -0.866 4.539 1.00 0.00 O ATOM 562 CB ASP A 36 -11.794 -0.923 4.746 1.00 0.00 C ATOM 563 CG ASP A 36 -11.620 -2.377 4.298 1.00 0.00 C ATOM 564 OD1 ASP A 36 -12.032 -3.231 5.064 1.00 0.00 O ATOM 565 OD2 ASP A 36 -11.082 -2.549 3.217 1.00 0.00 O ATOM 0 H ASP A 36 -11.741 1.231 6.069 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.231 -1.288 6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.706 -0.819 5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.898 -0.273 3.877 1.00 0.00 H new ATOM 570 N VAL A 37 -9.618 0.907 3.934 1.00 0.00 N ATOM 571 CA VAL A 37 -8.577 1.304 2.973 1.00 0.00 C ATOM 572 C VAL A 37 -7.227 1.307 3.625 1.00 0.00 C ATOM 573 O VAL A 37 -6.362 0.525 3.303 1.00 0.00 O ATOM 574 CB VAL A 37 -8.872 2.747 2.504 1.00 0.00 C ATOM 575 CG1 VAL A 37 -7.755 3.193 1.558 1.00 0.00 C ATOM 576 CG2 VAL A 37 -10.213 2.788 1.780 1.00 0.00 C ATOM 0 H VAL A 37 -10.427 1.526 3.987 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.579 0.599 2.142 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.917 3.416 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.950 4.210 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.800 3.162 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.718 2.525 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.418 3.807 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.179 2.127 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.002 2.460 2.457 1.00 0.00 H new ATOM 586 N ALA A 38 -7.094 2.174 4.542 1.00 0.00 N ATOM 587 CA ALA A 38 -5.829 2.292 5.260 1.00 0.00 C ATOM 588 C ALA A 38 -5.367 0.970 5.899 1.00 0.00 C ATOM 589 O ALA A 38 -4.185 0.688 5.915 1.00 0.00 O ATOM 590 CB ALA A 38 -6.022 3.354 6.324 1.00 0.00 C ATOM 0 H ALA A 38 -7.822 2.825 4.837 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.044 2.562 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.097 3.476 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.286 4.300 5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.822 3.051 7.000 1.00 0.00 H new ATOM 596 N LYS A 39 -6.283 0.174 6.414 1.00 0.00 N ATOM 597 CA LYS A 39 -5.836 -1.104 7.029 1.00 0.00 C ATOM 598 C LYS A 39 -5.397 -2.088 5.952 1.00 0.00 C ATOM 599 O LYS A 39 -4.286 -2.572 5.965 1.00 0.00 O ATOM 600 CB LYS A 39 -7.018 -1.720 7.834 1.00 0.00 C ATOM 601 CG LYS A 39 -6.985 -1.230 9.302 1.00 0.00 C ATOM 602 CD LYS A 39 -6.759 0.302 9.364 1.00 0.00 C ATOM 603 CE LYS A 39 -7.366 0.852 10.668 1.00 0.00 C ATOM 604 NZ LYS A 39 -7.253 -0.157 11.759 1.00 0.00 N ATOM 0 H LYS A 39 -7.287 0.353 6.432 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.992 -0.905 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.965 -1.441 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.958 -2.808 7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.922 -1.484 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.190 -1.742 9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.693 0.526 9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.220 0.785 8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.853 1.769 10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.413 1.110 10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.324 0.319 12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.020 -0.853 11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.335 -0.642 11.690 1.00 0.00 H new ATOM 618 N LYS A 40 -6.276 -2.344 5.036 1.00 0.00 N ATOM 619 CA LYS A 40 -5.951 -3.285 3.947 1.00 0.00 C ATOM 620 C LYS A 40 -4.598 -2.937 3.333 1.00 0.00 C ATOM 621 O LYS A 40 -3.791 -3.801 3.086 1.00 0.00 O ATOM 622 CB LYS A 40 -7.073 -3.179 2.874 1.00 0.00 C ATOM 623 CG LYS A 40 -7.171 -4.499 2.061 1.00 0.00 C ATOM 624 CD LYS A 40 -8.586 -4.635 1.473 1.00 0.00 C ATOM 625 CE LYS A 40 -8.679 -5.949 0.690 1.00 0.00 C ATOM 626 NZ LYS A 40 -9.996 -6.051 -0.005 1.00 0.00 N ATOM 0 H LYS A 40 -7.211 -1.939 4.996 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.891 -4.303 4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.028 -2.970 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.866 -2.346 2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.431 -4.501 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.949 -5.351 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.328 -4.620 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.804 -3.791 0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.871 -6.002 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.553 -6.793 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.043 -6.947 -0.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.762 -6.021 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.102 -5.256 -0.667 1.00 0.00 H new ATOM 640 N LEU A 41 -4.373 -1.681 3.089 1.00 0.00 N ATOM 641 CA LEU A 41 -3.070 -1.299 2.497 1.00 0.00 C ATOM 642 C LEU A 41 -1.975 -1.739 3.392 1.00 0.00 C ATOM 643 O LEU A 41 -0.950 -2.220 2.952 1.00 0.00 O ATOM 644 CB LEU A 41 -2.999 0.219 2.365 1.00 0.00 C ATOM 645 CG LEU A 41 -3.975 0.657 1.295 1.00 0.00 C ATOM 646 CD1 LEU A 41 -4.063 2.183 1.327 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.490 0.166 -0.100 1.00 0.00 C ATOM 0 H LEU A 41 -5.022 -0.915 3.270 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.970 -1.769 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.242 0.693 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.987 0.529 2.104 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.959 0.227 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.762 2.523 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.411 2.507 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.078 2.608 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.198 0.485 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.509 0.590 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.423 -0.922 -0.100 1.00 0.00 H new ATOM 659 N GLY A 42 -2.197 -1.561 4.641 1.00 0.00 N ATOM 660 CA GLY A 42 -1.185 -1.961 5.598 1.00 0.00 C ATOM 661 C GLY A 42 -1.007 -3.484 5.529 1.00 0.00 C ATOM 662 O GLY A 42 0.089 -3.992 5.644 1.00 0.00 O ATOM 0 H GLY A 42 -3.043 -1.152 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.241 -1.461 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.479 -1.661 6.604 1.00 0.00 H new ATOM 666 N GLU A 43 -2.111 -4.181 5.320 1.00 0.00 N ATOM 667 CA GLU A 43 -2.049 -5.651 5.240 1.00 0.00 C ATOM 668 C GLU A 43 -1.308 -6.088 3.998 1.00 0.00 C ATOM 669 O GLU A 43 -0.311 -6.770 4.079 1.00 0.00 O ATOM 670 CB GLU A 43 -3.482 -6.188 5.153 1.00 0.00 C ATOM 671 CG GLU A 43 -4.252 -5.797 6.422 1.00 0.00 C ATOM 672 CD GLU A 43 -3.821 -6.700 7.579 1.00 0.00 C ATOM 673 OE1 GLU A 43 -4.260 -7.838 7.571 1.00 0.00 O ATOM 674 OE2 GLU A 43 -3.075 -6.200 8.406 1.00 0.00 O ATOM 0 H GLU A 43 -3.041 -3.778 5.204 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.530 -6.033 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.981 -5.783 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.469 -7.272 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.059 -4.753 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.325 -5.892 6.253 1.00 0.00 H new ATOM 681 N MET A 44 -1.809 -5.693 2.862 1.00 0.00 N ATOM 682 CA MET A 44 -1.137 -6.084 1.607 1.00 0.00 C ATOM 683 C MET A 44 0.323 -5.721 1.674 1.00 0.00 C ATOM 684 O MET A 44 1.181 -6.480 1.278 1.00 0.00 O ATOM 685 CB MET A 44 -1.808 -5.342 0.438 1.00 0.00 C ATOM 686 CG MET A 44 -3.154 -6.018 0.140 1.00 0.00 C ATOM 687 SD MET A 44 -4.239 -5.229 -1.071 1.00 0.00 S ATOM 688 CE MET A 44 -4.242 -3.589 -0.318 1.00 0.00 C ATOM 0 H MET A 44 -2.647 -5.122 2.755 1.00 0.00 H new ATOM 0 HA MET A 44 -1.222 -7.161 1.460 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.959 -4.293 0.692 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.168 -5.367 -0.444 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.951 -7.033 -0.202 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.703 -6.101 1.078 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.043 -2.991 -0.752 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.400 -3.682 0.756 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.285 -3.102 -0.503 1.00 0.00 H new ATOM 698 N TRP A 45 0.581 -4.571 2.169 1.00 0.00 N ATOM 699 CA TRP A 45 1.973 -4.136 2.281 1.00 0.00 C ATOM 700 C TRP A 45 2.720 -5.108 3.163 1.00 0.00 C ATOM 701 O TRP A 45 3.720 -5.682 2.782 1.00 0.00 O ATOM 702 CB TRP A 45 1.955 -2.762 2.957 1.00 0.00 C ATOM 703 CG TRP A 45 3.355 -2.349 3.395 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.730 -2.255 4.658 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.295 -1.918 2.591 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.956 -1.728 4.590 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.395 -1.478 3.305 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.281 -1.806 1.219 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.466 -0.925 2.645 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.356 -1.254 0.563 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.441 -0.811 1.274 1.00 0.00 C ATOM 0 H TRP A 45 -0.116 -3.906 2.504 1.00 0.00 H new ATOM 0 HA TRP A 45 2.455 -4.091 1.305 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.552 -2.019 2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.292 -2.787 3.822 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.175 -2.538 5.540 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.519 -1.528 5.416 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.425 -2.152 0.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.325 -0.581 3.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.345 -1.169 -0.514 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.280 -0.371 0.756 1.00 0.00 H new ATOM 722 N ASN A 46 2.205 -5.264 4.327 1.00 0.00 N ATOM 723 CA ASN A 46 2.829 -6.185 5.292 1.00 0.00 C ATOM 724 C ASN A 46 3.102 -7.536 4.671 1.00 0.00 C ATOM 725 O ASN A 46 4.206 -8.038 4.728 1.00 0.00 O ATOM 726 CB ASN A 46 1.853 -6.396 6.452 1.00 0.00 C ATOM 727 CG ASN A 46 2.566 -7.151 7.578 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.338 -8.058 7.338 1.00 0.00 O ATOM 729 ND2 ASN A 46 2.334 -6.813 8.815 1.00 0.00 N ATOM 0 H ASN A 46 1.367 -4.788 4.661 1.00 0.00 H new ATOM 0 HA ASN A 46 3.772 -5.750 5.622 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.489 -5.435 6.816 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.983 -6.959 6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.799 -7.309 9.575 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.687 -6.052 9.023 1.00 0.00 H new ATOM 736 N ASN A 47 2.091 -8.107 4.079 1.00 0.00 N ATOM 737 CA ASN A 47 2.283 -9.436 3.451 1.00 0.00 C ATOM 738 C ASN A 47 3.093 -9.347 2.164 1.00 0.00 C ATOM 739 O ASN A 47 2.883 -10.108 1.240 1.00 0.00 O ATOM 740 CB ASN A 47 0.898 -10.069 3.169 1.00 0.00 C ATOM 741 CG ASN A 47 0.196 -9.384 1.988 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.813 -8.781 1.137 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.106 -9.469 1.899 1.00 0.00 N ATOM 0 H ASN A 47 1.153 -7.714 4.005 1.00 0.00 H new ATOM 0 HA ASN A 47 2.847 -10.062 4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.019 -11.131 2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.274 -9.992 4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.594 -9.030 1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.634 -9.974 2.610 1.00 0.00 H new ATOM 750 N THR A 48 4.018 -8.414 2.128 1.00 0.00 N ATOM 751 CA THR A 48 4.867 -8.248 0.906 1.00 0.00 C ATOM 752 C THR A 48 6.252 -8.828 1.154 1.00 0.00 C ATOM 753 O THR A 48 6.913 -8.468 2.107 1.00 0.00 O ATOM 754 CB THR A 48 5.014 -6.742 0.613 1.00 0.00 C ATOM 755 OG1 THR A 48 3.694 -6.256 0.489 1.00 0.00 O ATOM 756 CG2 THR A 48 5.652 -6.488 -0.775 1.00 0.00 C ATOM 0 H THR A 48 4.220 -7.765 2.888 1.00 0.00 H new ATOM 0 HA THR A 48 4.401 -8.764 0.067 1.00 0.00 H new ATOM 0 HB THR A 48 5.621 -6.282 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.186 -6.480 1.296 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.739 -5.415 -0.945 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.642 -6.942 -0.809 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.024 -6.928 -1.550 1.00 0.00 H new ATOM 764 N ALA A 49 6.670 -9.717 0.296 1.00 0.00 N ATOM 765 CA ALA A 49 8.011 -10.322 0.479 1.00 0.00 C ATOM 766 C ALA A 49 9.057 -9.244 0.753 1.00 0.00 C ATOM 767 O ALA A 49 9.063 -8.209 0.122 1.00 0.00 O ATOM 768 CB ALA A 49 8.386 -11.069 -0.811 1.00 0.00 C ATOM 0 H ALA A 49 6.145 -10.046 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 49 7.984 -11.004 1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.371 -11.522 -0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.649 -11.848 -1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.404 -10.368 -1.645 1.00 0.00 H new ATOM 774 N ALA A 50 9.917 -9.499 1.696 1.00 0.00 N ATOM 775 CA ALA A 50 10.957 -8.496 2.009 1.00 0.00 C ATOM 776 C ALA A 50 11.691 -8.068 0.741 1.00 0.00 C ATOM 777 O ALA A 50 12.097 -6.930 0.612 1.00 0.00 O ATOM 778 CB ALA A 50 11.965 -9.124 2.987 1.00 0.00 C ATOM 0 H ALA A 50 9.942 -10.351 2.256 1.00 0.00 H new ATOM 0 HA ALA A 50 10.486 -7.618 2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.740 -8.396 3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.449 -9.421 3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.421 -10.000 2.526 1.00 0.00 H new ATOM 784 N ASP A 51 11.849 -8.990 -0.171 1.00 0.00 N ATOM 785 CA ASP A 51 12.548 -8.658 -1.428 1.00 0.00 C ATOM 786 C ASP A 51 11.652 -7.817 -2.339 1.00 0.00 C ATOM 787 O ASP A 51 12.126 -7.152 -3.235 1.00 0.00 O ATOM 788 CB ASP A 51 12.903 -9.966 -2.146 1.00 0.00 C ATOM 789 CG ASP A 51 13.807 -10.810 -1.244 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.956 -10.422 -1.116 1.00 0.00 O ATOM 791 OD2 ASP A 51 13.296 -11.793 -0.733 1.00 0.00 O ATOM 0 H ASP A 51 11.523 -9.953 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 51 13.446 -8.085 -1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.995 -10.518 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.408 -9.752 -3.088 1.00 0.00 H new ATOM 796 N ASP A 52 10.364 -7.876 -2.094 1.00 0.00 N ATOM 797 CA ASP A 52 9.413 -7.086 -2.934 1.00 0.00 C ATOM 798 C ASP A 52 9.299 -5.656 -2.414 1.00 0.00 C ATOM 799 O ASP A 52 8.823 -4.778 -3.103 1.00 0.00 O ATOM 800 CB ASP A 52 8.024 -7.752 -2.856 1.00 0.00 C ATOM 801 CG ASP A 52 8.010 -9.014 -3.723 1.00 0.00 C ATOM 802 OD1 ASP A 52 9.033 -9.260 -4.342 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.975 -9.661 -3.720 1.00 0.00 O ATOM 0 H ASP A 52 9.935 -8.433 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 52 9.778 -7.061 -3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.789 -8.006 -1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.256 -7.057 -3.196 1.00 0.00 H new ATOM 808 N LYS A 53 9.726 -5.455 -1.195 1.00 0.00 N ATOM 809 CA LYS A 53 9.657 -4.089 -0.605 1.00 0.00 C ATOM 810 C LYS A 53 10.843 -3.256 -1.071 1.00 0.00 C ATOM 811 O LYS A 53 10.859 -2.051 -0.930 1.00 0.00 O ATOM 812 CB LYS A 53 9.731 -4.222 0.929 1.00 0.00 C ATOM 813 CG LYS A 53 8.385 -4.724 1.474 1.00 0.00 C ATOM 814 CD LYS A 53 8.354 -4.517 2.992 1.00 0.00 C ATOM 815 CE LYS A 53 7.075 -5.135 3.559 1.00 0.00 C ATOM 816 NZ LYS A 53 6.986 -4.892 5.028 1.00 0.00 N ATOM 0 H LYS A 53 10.117 -6.174 -0.587 1.00 0.00 H new ATOM 0 HA LYS A 53 8.731 -3.605 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.526 -4.914 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.978 -3.259 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.563 -4.184 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.252 -5.779 1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.229 -4.977 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.393 -3.453 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.205 -4.708 3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.062 -6.207 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.112 -5.318 5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.807 -5.320 5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.977 -3.868 5.211 1.00 0.00 H new ATOM 830 N GLN A 54 11.808 -3.923 -1.621 1.00 0.00 N ATOM 831 CA GLN A 54 13.006 -3.226 -2.107 1.00 0.00 C ATOM 832 C GLN A 54 12.667 -1.999 -3.010 1.00 0.00 C ATOM 833 O GLN A 54 13.020 -0.905 -2.687 1.00 0.00 O ATOM 834 CB GLN A 54 13.871 -4.261 -2.886 1.00 0.00 C ATOM 835 CG GLN A 54 15.060 -4.723 -2.010 1.00 0.00 C ATOM 836 CD GLN A 54 15.595 -6.061 -2.528 1.00 0.00 C ATOM 837 OE1 GLN A 54 15.095 -6.613 -3.486 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.606 -6.614 -1.919 1.00 0.00 N ATOM 0 H GLN A 54 11.812 -4.934 -1.754 1.00 0.00 H new ATOM 0 HA GLN A 54 13.551 -2.823 -1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.261 -5.119 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.241 -3.816 -3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.851 -3.973 -2.028 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.742 -4.825 -0.973 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.030 -6.154 -1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.973 -7.507 -2.248 1.00 0.00 H new ATOM 847 N PRO A 55 11.978 -2.199 -4.116 1.00 0.00 N ATOM 848 CA PRO A 55 11.646 -1.074 -4.985 1.00 0.00 C ATOM 849 C PRO A 55 11.132 0.128 -4.197 1.00 0.00 C ATOM 850 O PRO A 55 11.500 1.256 -4.462 1.00 0.00 O ATOM 851 CB PRO A 55 10.532 -1.619 -5.924 1.00 0.00 C ATOM 852 CG PRO A 55 10.465 -3.169 -5.705 1.00 0.00 C ATOM 853 CD PRO A 55 11.442 -3.504 -4.548 1.00 0.00 C ATOM 0 HA PRO A 55 12.524 -0.719 -5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.573 -1.155 -5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.757 -1.386 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.450 -3.480 -5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.747 -3.700 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.928 -4.010 -3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.239 -4.167 -4.883 1.00 0.00 H new ATOM 861 N TYR A 56 10.304 -0.141 -3.255 1.00 0.00 N ATOM 862 CA TYR A 56 9.745 0.964 -2.436 1.00 0.00 C ATOM 863 C TYR A 56 10.785 1.607 -1.520 1.00 0.00 C ATOM 864 O TYR A 56 10.965 2.809 -1.545 1.00 0.00 O ATOM 865 CB TYR A 56 8.624 0.396 -1.579 1.00 0.00 C ATOM 866 CG TYR A 56 7.446 0.050 -2.477 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.672 1.047 -3.000 1.00 0.00 C ATOM 868 CD2 TYR A 56 7.127 -1.256 -2.739 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.566 0.748 -3.775 1.00 0.00 C ATOM 870 CE2 TYR A 56 6.031 -1.569 -3.515 1.00 0.00 C ATOM 871 CZ TYR A 56 5.238 -0.569 -4.040 1.00 0.00 C ATOM 872 OH TYR A 56 4.137 -0.877 -4.813 1.00 0.00 O ATOM 0 H TYR A 56 9.982 -1.077 -3.007 1.00 0.00 H new ATOM 0 HA TYR A 56 9.389 1.738 -3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.968 -0.492 -1.049 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.322 1.121 -0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.926 2.079 -2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.740 -2.048 -2.334 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.957 1.545 -4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.792 -2.603 -3.713 1.00 0.00 H new ATOM 0 HH TYR A 56 4.058 -1.850 -4.896 1.00 0.00 H new ATOM 882 N GLU A 57 11.458 0.811 -0.728 1.00 0.00 N ATOM 883 CA GLU A 57 12.472 1.409 0.176 1.00 0.00 C ATOM 884 C GLU A 57 13.574 2.032 -0.647 1.00 0.00 C ATOM 885 O GLU A 57 14.120 3.065 -0.313 1.00 0.00 O ATOM 886 CB GLU A 57 13.022 0.285 1.102 1.00 0.00 C ATOM 887 CG GLU A 57 14.149 -0.514 0.426 1.00 0.00 C ATOM 888 CD GLU A 57 15.473 0.251 0.541 1.00 0.00 C ATOM 889 OE1 GLU A 57 15.696 0.791 1.611 1.00 0.00 O ATOM 890 OE2 GLU A 57 16.188 0.245 -0.445 1.00 0.00 O ATOM 0 H GLU A 57 11.350 -0.202 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 57 12.032 2.193 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.394 0.726 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.211 -0.390 1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.243 -1.494 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.907 -0.684 -0.623 1.00 0.00 H new ATOM 897 N LYS A 58 13.868 1.379 -1.702 1.00 0.00 N ATOM 898 CA LYS A 58 14.919 1.857 -2.612 1.00 0.00 C ATOM 899 C LYS A 58 14.542 3.218 -3.174 1.00 0.00 C ATOM 900 O LYS A 58 15.364 4.108 -3.267 1.00 0.00 O ATOM 901 CB LYS A 58 15.033 0.845 -3.775 1.00 0.00 C ATOM 902 CG LYS A 58 16.290 1.152 -4.617 1.00 0.00 C ATOM 903 CD LYS A 58 17.526 0.500 -3.967 1.00 0.00 C ATOM 904 CE LYS A 58 18.704 0.588 -4.937 1.00 0.00 C ATOM 905 NZ LYS A 58 19.940 0.047 -4.305 1.00 0.00 N ATOM 0 H LYS A 58 13.417 0.510 -1.987 1.00 0.00 H new ATOM 0 HA LYS A 58 15.864 1.947 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.087 -0.170 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.143 0.897 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.160 0.775 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.434 2.230 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.770 1.005 -3.032 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.317 -0.541 -3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.478 0.029 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.863 1.625 -5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.731 0.114 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.163 0.598 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.790 -0.949 -4.045 1.00 0.00 H new ATOM 919 N LYS A 59 13.296 3.356 -3.535 1.00 0.00 N ATOM 920 CA LYS A 59 12.838 4.637 -4.088 1.00 0.00 C ATOM 921 C LYS A 59 13.051 5.739 -3.081 1.00 0.00 C ATOM 922 O LYS A 59 13.651 6.758 -3.370 1.00 0.00 O ATOM 923 CB LYS A 59 11.326 4.519 -4.385 1.00 0.00 C ATOM 924 CG LYS A 59 10.900 5.664 -5.309 1.00 0.00 C ATOM 925 CD LYS A 59 9.474 5.408 -5.791 1.00 0.00 C ATOM 926 CE LYS A 59 9.024 6.570 -6.681 1.00 0.00 C ATOM 927 NZ LYS A 59 8.770 7.787 -5.860 1.00 0.00 N ATOM 0 H LYS A 59 12.583 2.630 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 59 13.397 4.869 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.110 3.559 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.757 4.556 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.954 6.615 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.578 5.734 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.428 4.471 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.802 5.307 -4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.789 6.781 -7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.119 6.293 -7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.942 8.293 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.588 7.509 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.602 8.410 -5.896 1.00 0.00 H new ATOM 941 N ALA A 60 12.550 5.516 -1.915 1.00 0.00 N ATOM 942 CA ALA A 60 12.701 6.523 -0.862 1.00 0.00 C ATOM 943 C ALA A 60 14.170 6.738 -0.526 1.00 0.00 C ATOM 944 O ALA A 60 14.591 7.843 -0.288 1.00 0.00 O ATOM 945 CB ALA A 60 11.977 6.024 0.395 1.00 0.00 C ATOM 0 H ALA A 60 12.040 4.674 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 60 12.279 7.466 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.079 6.762 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.921 5.875 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.416 5.080 0.717 1.00 0.00 H new ATOM 951 N ALA A 61 14.929 5.669 -0.531 1.00 0.00 N ATOM 952 CA ALA A 61 16.367 5.797 -0.212 1.00 0.00 C ATOM 953 C ALA A 61 17.158 6.414 -1.355 1.00 0.00 C ATOM 954 O ALA A 61 18.217 6.969 -1.147 1.00 0.00 O ATOM 955 CB ALA A 61 16.919 4.394 0.050 1.00 0.00 C ATOM 0 H ALA A 61 14.609 4.724 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 61 16.467 6.449 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.981 4.459 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.386 3.944 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.784 3.778 -0.839 1.00 0.00 H new ATOM 961 N LYS A 62 16.638 6.309 -2.535 1.00 0.00 N ATOM 962 CA LYS A 62 17.347 6.879 -3.688 1.00 0.00 C ATOM 963 C LYS A 62 17.444 8.399 -3.589 1.00 0.00 C ATOM 964 O LYS A 62 18.517 8.959 -3.685 1.00 0.00 O ATOM 965 CB LYS A 62 16.551 6.485 -4.970 1.00 0.00 C ATOM 966 CG LYS A 62 17.173 5.220 -5.605 1.00 0.00 C ATOM 967 CD LYS A 62 18.350 5.628 -6.516 1.00 0.00 C ATOM 968 CE LYS A 62 19.254 4.412 -6.767 1.00 0.00 C ATOM 969 NZ LYS A 62 20.182 4.212 -5.621 1.00 0.00 N ATOM 0 H LYS A 62 15.751 5.852 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 62 18.365 6.490 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.507 6.301 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.566 7.307 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.520 4.542 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.421 4.683 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.973 6.015 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.923 6.429 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.644 3.520 -6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.824 4.558 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.787 3.386 -5.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.776 5.058 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.632 4.052 -4.753 1.00 0.00 H new ATOM 983 N LEU A 63 16.325 9.038 -3.404 1.00 0.00 N ATOM 984 CA LEU A 63 16.343 10.517 -3.302 1.00 0.00 C ATOM 985 C LEU A 63 16.723 11.004 -1.900 1.00 0.00 C ATOM 986 O LEU A 63 17.046 12.162 -1.725 1.00 0.00 O ATOM 987 CB LEU A 63 14.939 11.040 -3.683 1.00 0.00 C ATOM 988 CG LEU A 63 13.923 10.802 -2.507 1.00 0.00 C ATOM 989 CD1 LEU A 63 13.727 12.102 -1.702 1.00 0.00 C ATOM 990 CD2 LEU A 63 12.561 10.374 -3.083 1.00 0.00 C ATOM 0 H LEU A 63 15.407 8.602 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 63 17.104 10.903 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.992 12.104 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 63 14.588 10.534 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 63 14.320 10.024 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.021 11.925 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.683 12.421 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.337 12.881 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.857 10.209 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.181 11.158 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.680 9.452 -3.652 1.00 0.00 H new ATOM 1002 N LYS A 64 16.681 10.131 -0.920 1.00 0.00 N ATOM 1003 CA LYS A 64 17.052 10.592 0.452 1.00 0.00 C ATOM 1004 C LYS A 64 18.553 10.827 0.529 1.00 0.00 C ATOM 1005 O LYS A 64 19.004 11.866 0.977 1.00 0.00 O ATOM 1006 CB LYS A 64 16.658 9.528 1.489 1.00 0.00 C ATOM 1007 CG LYS A 64 16.641 10.185 2.877 1.00 0.00 C ATOM 1008 CD LYS A 64 16.285 9.138 3.942 1.00 0.00 C ATOM 1009 CE LYS A 64 17.374 8.048 4.002 1.00 0.00 C ATOM 1010 NZ LYS A 64 18.720 8.622 3.715 1.00 0.00 N ATOM 0 H LYS A 64 16.415 9.150 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 64 16.523 11.521 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.678 9.114 1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.366 8.700 1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.615 10.622 3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.915 10.998 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.187 9.618 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.320 8.686 3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.375 7.584 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 64 17.148 7.263 3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.455 7.960 4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.819 8.780 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.826 9.527 4.217 1.00 0.00 H new ATOM 1024 N GLU A 65 19.313 9.854 0.098 1.00 0.00 N ATOM 1025 CA GLU A 65 20.766 10.013 0.141 1.00 0.00 C ATOM 1026 C GLU A 65 21.145 11.336 -0.520 1.00 0.00 C ATOM 1027 O GLU A 65 22.081 11.998 -0.121 1.00 0.00 O ATOM 1028 CB GLU A 65 21.387 8.854 -0.644 1.00 0.00 C ATOM 1029 CG GLU A 65 21.206 7.552 0.148 1.00 0.00 C ATOM 1030 CD GLU A 65 22.205 7.514 1.311 1.00 0.00 C ATOM 1031 OE1 GLU A 65 22.891 8.512 1.473 1.00 0.00 O ATOM 1032 OE2 GLU A 65 22.223 6.489 1.972 1.00 0.00 O ATOM 0 H GLU A 65 18.977 8.967 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 65 21.125 10.012 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 65 20.914 8.767 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 65 22.446 9.043 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 65 20.187 7.485 0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 65 21.360 6.693 -0.505 1.00 0.00 H new ATOM 1039 N LYS A 66 20.390 11.686 -1.532 1.00 0.00 N ATOM 1040 CA LYS A 66 20.646 12.946 -2.257 1.00 0.00 C ATOM 1041 C LYS A 66 20.063 14.127 -1.484 1.00 0.00 C ATOM 1042 O LYS A 66 20.585 15.217 -1.506 1.00 0.00 O ATOM 1043 CB LYS A 66 19.925 12.839 -3.612 1.00 0.00 C ATOM 1044 CG LYS A 66 19.909 14.227 -4.347 1.00 0.00 C ATOM 1045 CD LYS A 66 18.496 14.865 -4.253 1.00 0.00 C ATOM 1046 CE LYS A 66 17.499 14.096 -5.152 1.00 0.00 C ATOM 1047 NZ LYS A 66 16.389 14.991 -5.575 1.00 0.00 N ATOM 0 H LYS A 66 19.602 11.140 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 66 21.718 13.103 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 66 20.423 12.098 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.903 12.492 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.647 14.892 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.189 14.097 -5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.151 14.850 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 66 18.540 15.910 -4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.016 13.707 -6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 66 17.098 13.239 -4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.727 14.462 -6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.887 15.342 -4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.776 15.796 -6.109 1.00 0.00 H new ATOM 1061 N TYR A 67 18.979 13.863 -0.831 1.00 0.00 N ATOM 1062 CA TYR A 67 18.295 14.921 -0.028 1.00 0.00 C ATOM 1063 C TYR A 67 19.235 15.566 0.986 1.00 0.00 C ATOM 1064 O TYR A 67 19.879 16.547 0.678 1.00 0.00 O ATOM 1065 CB TYR A 67 17.116 14.239 0.721 1.00 0.00 C ATOM 1066 CG TYR A 67 16.262 15.256 1.473 1.00 0.00 C ATOM 1067 CD1 TYR A 67 15.390 16.046 0.787 1.00 0.00 C ATOM 1068 CD2 TYR A 67 16.284 15.326 2.862 1.00 0.00 C ATOM 1069 CE1 TYR A 67 14.532 16.896 1.461 1.00 0.00 C ATOM 1070 CE2 TYR A 67 15.431 16.177 3.533 1.00 0.00 C ATOM 1071 CZ TYR A 67 14.552 16.971 2.838 1.00 0.00 C ATOM 1072 OH TYR A 67 13.746 17.870 3.504 1.00 0.00 O ATOM 0 H TYR A 67 18.524 12.950 -0.813 1.00 0.00 H new ATOM 0 HA TYR A 67 17.950 15.712 -0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.495 13.699 0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.508 13.503 1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 67 15.368 16.008 -0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 67 16.974 14.710 3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 67 13.839 17.508 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 67 15.454 16.219 4.612 1.00 0.00 H new ATOM 0 HH TYR A 67 13.889 17.785 4.470 1.00 0.00 H new ATOM 1082 N GLU A 68 19.320 14.957 2.161 1.00 0.00 N ATOM 1083 CA GLU A 68 20.195 15.464 3.284 1.00 0.00 C ATOM 1084 C GLU A 68 21.529 16.060 2.839 1.00 0.00 C ATOM 1085 O GLU A 68 22.214 16.688 3.620 1.00 0.00 O ATOM 1086 CB GLU A 68 20.465 14.272 4.198 1.00 0.00 C ATOM 1087 CG GLU A 68 19.165 13.899 4.961 1.00 0.00 C ATOM 1088 CD GLU A 68 19.525 13.127 6.234 1.00 0.00 C ATOM 1089 OE1 GLU A 68 19.906 13.793 7.184 1.00 0.00 O ATOM 1090 OE2 GLU A 68 19.402 11.915 6.184 1.00 0.00 O ATOM 0 H GLU A 68 18.804 14.108 2.391 1.00 0.00 H new ATOM 0 HA GLU A 68 19.665 16.281 3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.812 13.421 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 68 21.258 14.515 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.608 14.801 5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.519 13.293 4.326 1.00 0.00 H new ATOM 1097 N LYS A 69 21.875 15.866 1.633 1.00 0.00 N ATOM 1098 CA LYS A 69 23.165 16.424 1.155 1.00 0.00 C ATOM 1099 C LYS A 69 23.224 17.955 1.271 1.00 0.00 C ATOM 1100 O LYS A 69 24.169 18.500 1.809 1.00 0.00 O ATOM 1101 CB LYS A 69 23.346 16.052 -0.332 1.00 0.00 C ATOM 1102 CG LYS A 69 24.618 16.727 -0.873 1.00 0.00 C ATOM 1103 CD LYS A 69 25.006 16.099 -2.215 1.00 0.00 C ATOM 1104 CE LYS A 69 26.193 16.879 -2.821 1.00 0.00 C ATOM 1105 NZ LYS A 69 26.273 16.659 -4.292 1.00 0.00 N ATOM 0 H LYS A 69 21.334 15.348 0.941 1.00 0.00 H new ATOM 0 HA LYS A 69 23.953 16.005 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 69 23.420 14.970 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 69 22.477 16.372 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 69 24.449 17.797 -0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 69 25.433 16.614 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 69 25.278 15.053 -2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 69 24.157 16.119 -2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 69 26.079 17.943 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 69 27.123 16.560 -2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 27.078 17.192 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 26.404 15.645 -4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 25.393 16.986 -4.740 1.00 0.00 H new ATOM 1119 N ASP A 70 22.216 18.618 0.765 1.00 0.00 N ATOM 1120 CA ASP A 70 22.194 20.119 0.824 1.00 0.00 C ATOM 1121 C ASP A 70 21.192 20.663 1.845 1.00 0.00 C ATOM 1122 O ASP A 70 21.192 21.843 2.135 1.00 0.00 O ATOM 1123 CB ASP A 70 21.767 20.585 -0.584 1.00 0.00 C ATOM 1124 CG ASP A 70 22.997 20.637 -1.503 1.00 0.00 C ATOM 1125 OD1 ASP A 70 23.634 21.677 -1.494 1.00 0.00 O ATOM 1126 OD2 ASP A 70 23.227 19.633 -2.156 1.00 0.00 O ATOM 0 H ASP A 70 21.407 18.190 0.314 1.00 0.00 H new ATOM 0 HA ASP A 70 23.175 20.485 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 70 21.022 19.903 -0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 70 21.301 21.569 -0.527 1.00 0.00 H new ATOM 1131 N ILE A 71 20.374 19.819 2.363 1.00 0.00 N ATOM 1132 CA ILE A 71 19.387 20.293 3.345 1.00 0.00 C ATOM 1133 C ILE A 71 20.057 20.876 4.577 1.00 0.00 C ATOM 1134 O ILE A 71 19.475 21.695 5.259 1.00 0.00 O ATOM 1135 CB ILE A 71 18.540 19.096 3.742 1.00 0.00 C ATOM 1136 CG1 ILE A 71 18.167 18.270 2.505 1.00 0.00 C ATOM 1137 CG2 ILE A 71 17.251 19.540 4.427 1.00 0.00 C ATOM 1138 CD1 ILE A 71 17.880 19.124 1.247 1.00 0.00 C ATOM 0 H ILE A 71 20.343 18.822 2.152 1.00 0.00 H new ATOM 0 HA ILE A 71 18.782 21.085 2.904 1.00 0.00 H new ATOM 0 HB ILE A 71 19.131 18.494 4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.979 17.577 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.287 17.669 2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 71 16.664 18.663 4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 71 17.493 20.109 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 71 16.674 20.165 3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.623 18.470 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 71 17.048 19.799 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 71 18.766 19.706 0.992 1.00 0.00 H new ATOM 1150 N ALA A 72 21.270 20.440 4.850 1.00 0.00 N ATOM 1151 CA ALA A 72 21.988 20.977 6.048 1.00 0.00 C ATOM 1152 C ALA A 72 21.755 22.480 6.172 1.00 0.00 C ATOM 1153 O ALA A 72 21.815 23.047 7.246 1.00 0.00 O ATOM 1154 CB ALA A 72 23.497 20.730 5.867 1.00 0.00 C ATOM 0 H ALA A 72 21.783 19.748 4.303 1.00 0.00 H new ATOM 0 HA ALA A 72 21.616 20.479 6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.035 21.116 6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 72 23.682 19.660 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 72 23.844 21.239 4.968 1.00 0.00 H new ATOM 1160 N ALA A 73 21.486 23.087 5.046 1.00 0.00 N ATOM 1161 CA ALA A 73 21.234 24.542 5.009 1.00 0.00 C ATOM 1162 C ALA A 73 19.732 24.824 5.106 1.00 0.00 C ATOM 1163 O ALA A 73 19.311 25.793 5.709 1.00 0.00 O ATOM 1164 CB ALA A 73 21.762 25.059 3.664 1.00 0.00 C ATOM 0 H ALA A 73 21.431 22.621 4.140 1.00 0.00 H new ATOM 0 HA ALA A 73 21.729 25.035 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 73 21.595 26.134 3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 73 22.830 24.853 3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 73 21.237 24.558 2.850 1.00 0.00 H new ATOM 1170 N TYR A 74 18.956 23.966 4.498 1.00 0.00 N ATOM 1171 CA TYR A 74 17.485 24.144 4.531 1.00 0.00 C ATOM 1172 C TYR A 74 16.951 23.804 5.921 1.00 0.00 C ATOM 1173 O TYR A 74 17.686 23.839 6.890 1.00 0.00 O ATOM 1174 CB TYR A 74 16.878 23.178 3.475 1.00 0.00 C ATOM 1175 CG TYR A 74 15.381 23.411 3.287 1.00 0.00 C ATOM 1176 CD1 TYR A 74 14.912 24.648 2.927 1.00 0.00 C ATOM 1177 CD2 TYR A 74 14.477 22.376 3.475 1.00 0.00 C ATOM 1178 CE1 TYR A 74 13.561 24.868 2.764 1.00 0.00 C ATOM 1179 CE2 TYR A 74 13.120 22.596 3.315 1.00 0.00 C ATOM 1180 CZ TYR A 74 12.654 23.845 2.958 1.00 0.00 C ATOM 1181 OH TYR A 74 11.300 24.073 2.806 1.00 0.00 O ATOM 0 H TYR A 74 19.283 23.150 3.981 1.00 0.00 H new ATOM 0 HA TYR A 74 17.215 25.176 4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 74 17.389 23.314 2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 74 17.049 22.147 3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 74 15.608 25.458 2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.834 21.394 3.748 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.209 25.849 2.482 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.422 21.786 3.470 1.00 0.00 H new ATOM 0 HH TYR A 74 10.807 23.244 2.979 1.00 0.00 H new ATOM 1191 N ARG A 75 15.684 23.493 5.998 1.00 0.00 N ATOM 1192 CA ARG A 75 15.082 23.146 7.325 1.00 0.00 C ATOM 1193 C ARG A 75 16.040 22.290 8.150 1.00 0.00 C ATOM 1194 O ARG A 75 16.185 21.105 7.913 1.00 0.00 O ATOM 1195 CB ARG A 75 13.789 22.335 7.082 1.00 0.00 C ATOM 1196 CG ARG A 75 12.649 23.278 6.685 1.00 0.00 C ATOM 1197 CD ARG A 75 11.335 22.492 6.704 1.00 0.00 C ATOM 1198 NE ARG A 75 11.595 21.110 6.156 1.00 0.00 N ATOM 1199 CZ ARG A 75 11.035 20.042 6.704 1.00 0.00 C ATOM 1200 NH1 ARG A 75 10.238 20.171 7.737 1.00 0.00 N ATOM 1201 NH2 ARG A 75 11.295 18.873 6.186 1.00 0.00 N ATOM 0 H ARG A 75 15.041 23.463 5.207 1.00 0.00 H new ATOM 0 HA ARG A 75 14.874 24.068 7.868 1.00 0.00 H new ATOM 0 HB2 ARG A 75 13.954 21.598 6.296 1.00 0.00 H new ATOM 0 HB3 ARG A 75 13.520 21.784 7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 75 12.596 24.119 7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 75 12.828 23.691 5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.946 22.429 7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.580 23.001 6.105 1.00 0.00 H new ATOM 0 HE ARG A 75 12.211 20.997 5.351 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.047 21.096 8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.809 19.346 8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.915 18.799 5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.878 18.033 6.587 1.00 0.00 H new ATOM 1215 N ALA A 76 16.677 22.907 9.103 1.00 0.00 N ATOM 1216 CA ALA A 76 17.621 22.160 9.947 1.00 0.00 C ATOM 1217 C ALA A 76 17.922 22.936 11.219 1.00 0.00 C ATOM 1218 O ALA A 76 19.064 23.225 11.508 1.00 0.00 O ATOM 1219 CB ALA A 76 18.925 21.969 9.155 1.00 0.00 C ATOM 0 H ALA A 76 16.579 23.897 9.327 1.00 0.00 H new ATOM 0 HA ALA A 76 17.186 21.198 10.218 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.642 21.416 9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 76 18.718 21.412 8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 76 19.341 22.943 8.899 1.00 0.00 H new ATOM 1225 N LYS A 77 16.869 23.263 11.950 1.00 0.00 N ATOM 1226 CA LYS A 77 17.026 24.033 13.234 1.00 0.00 C ATOM 1227 C LYS A 77 18.396 23.778 13.897 1.00 0.00 C ATOM 1228 O LYS A 77 18.649 22.622 14.192 1.00 0.00 O ATOM 1229 CB LYS A 77 15.881 23.568 14.203 1.00 0.00 C ATOM 1230 CG LYS A 77 14.854 24.695 14.400 1.00 0.00 C ATOM 1231 CD LYS A 77 13.905 24.306 15.537 1.00 0.00 C ATOM 1232 CE LYS A 77 12.696 25.245 15.541 1.00 0.00 C ATOM 1233 NZ LYS A 77 11.981 25.162 16.847 1.00 0.00 N ATOM 1234 OXT LYS A 77 19.104 24.757 14.067 1.00 0.00 O ATOM 0 H LYS A 77 15.906 23.027 11.709 1.00 0.00 H new ATOM 0 HA LYS A 77 16.966 25.100 13.021 1.00 0.00 H new ATOM 0 HB2 LYS A 77 15.388 22.685 13.796 1.00 0.00 H new ATOM 0 HB3 LYS A 77 16.305 23.281 15.165 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.361 25.631 14.635 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.293 24.859 13.480 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.576 23.274 15.413 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.425 24.362 16.493 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.022 26.270 15.362 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.018 24.980 14.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.163 25.804 16.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.654 24.187 17.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.627 25.437 17.614 1.00 0.00 H new TER 1248 LYS A 77