USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 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 38 SER OG : rot 131:sc= 1.19 USER MOD Set 1.2: A 75 GLN : amide:sc= 1.44 K(o=2.6,f=-3.1) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.988 K(o=3,f=1.5) USER MOD Set 2.2: A 22 GLN : amide:sc= 1.99 K(o=3,f=1.5) USER MOD Set 3.1: A 13 TYR OH : rot 153:sc= 0.351 USER MOD Set 3.2: A 34 THR OG1 : rot 74:sc= 1.87 USER MOD Single : A 1 LYS N :NH3+ 137:sc= 0.0639 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.034) USER MOD Single : A 2 SER OG : rot -64:sc= 1.05 USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0605) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 145:sc= 0.718 (180deg=0.13) USER MOD Single : A 24 SER OG : rot -179:sc= 1.74 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0.904 (180deg=0.816) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc=-0.00883 (180deg=-0.139) USER MOD Single : A 33 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1) USER MOD Single : A 41 LYS NZ :NH3+ -174:sc=-0.000258 (180deg=-0.0517) USER MOD Single : A 44 SER OG : rot 32:sc= 1.07 USER MOD Single : A 45 THR OG1 : rot -75:sc= 0.928 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.0138 X(o=0.014,f=-0.16) USER MOD Single : A 62 SER OG : rot 180:sc=-0.00153 USER MOD Single : A 67 GLN : amide:sc= -1.16 K(o=-1.2,f=-1.8) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.093 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -17.732 2.100 -1.041 1.00 0.00 N ATOM 2 CA LYS A 1 -17.832 1.238 -2.203 1.00 0.00 C ATOM 3 C LYS A 1 -17.105 1.920 -3.365 1.00 0.00 C ATOM 4 O LYS A 1 -17.226 3.135 -3.499 1.00 0.00 O ATOM 5 CB LYS A 1 -19.313 0.992 -2.519 1.00 0.00 C ATOM 6 CG LYS A 1 -19.508 -0.033 -3.645 1.00 0.00 C ATOM 7 CD LYS A 1 -21.005 -0.290 -3.861 1.00 0.00 C ATOM 8 CE LYS A 1 -21.261 -1.210 -5.061 1.00 0.00 C ATOM 9 NZ LYS A 1 -20.660 -2.544 -4.876 1.00 0.00 N ATOM 0 H1 LYS A 1 -18.651 2.135 -0.555 1.00 0.00 H new ATOM 0 H2 LYS A 1 -17.011 1.725 -0.392 1.00 0.00 H new ATOM 0 H3 LYS A 1 -17.462 3.058 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 1 -17.367 0.269 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -19.820 0.641 -1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -19.783 1.934 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -19.056 0.335 -4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -19.002 -0.965 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -21.429 -0.739 -2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -21.518 0.659 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -22.335 -1.315 -5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -20.854 -0.751 -5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -20.914 -3.154 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -19.625 -2.454 -4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -21.016 -2.966 -3.995 1.00 0.00 H new ATOM 25 N SER A 2 -16.361 1.151 -4.172 1.00 0.00 N ATOM 26 CA SER A 2 -15.587 1.545 -5.361 1.00 0.00 C ATOM 27 C SER A 2 -14.130 1.810 -4.932 1.00 0.00 C ATOM 28 O SER A 2 -13.792 1.443 -3.806 1.00 0.00 O ATOM 29 CB SER A 2 -16.286 2.678 -6.142 1.00 0.00 C ATOM 30 OG SER A 2 -15.957 3.957 -5.634 1.00 0.00 O ATOM 0 H SER A 2 -16.277 0.150 -3.995 1.00 0.00 H new ATOM 0 HA SER A 2 -15.545 0.739 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.002 2.622 -7.193 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.366 2.537 -6.096 1.00 0.00 H new ATOM 0 HG SER A 2 -16.296 4.043 -4.719 1.00 0.00 H new ATOM 36 N PRO A 3 -13.240 2.422 -5.743 1.00 0.00 N ATOM 37 CA PRO A 3 -11.874 2.739 -5.322 1.00 0.00 C ATOM 38 C PRO A 3 -11.808 3.387 -3.934 1.00 0.00 C ATOM 39 O PRO A 3 -10.828 3.208 -3.213 1.00 0.00 O ATOM 40 CB PRO A 3 -11.305 3.655 -6.407 1.00 0.00 C ATOM 41 CG PRO A 3 -12.036 3.165 -7.653 1.00 0.00 C ATOM 42 CD PRO A 3 -13.435 2.869 -7.114 1.00 0.00 C ATOM 0 HA PRO A 3 -11.287 1.827 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.509 4.706 -6.202 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.224 3.552 -6.502 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.054 3.921 -8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.567 2.277 -8.077 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.065 3.758 -7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.930 2.102 -7.710 1.00 0.00 H new ATOM 50 N GLU A 4 -12.862 4.113 -3.542 1.00 0.00 N ATOM 51 CA GLU A 4 -13.029 4.737 -2.255 1.00 0.00 C ATOM 52 C GLU A 4 -12.739 3.750 -1.114 1.00 0.00 C ATOM 53 O GLU A 4 -12.210 4.138 -0.079 1.00 0.00 O ATOM 54 CB GLU A 4 -14.472 5.243 -2.209 1.00 0.00 C ATOM 55 CG GLU A 4 -14.796 6.311 -3.270 1.00 0.00 C ATOM 56 CD GLU A 4 -13.859 7.511 -3.182 1.00 0.00 C ATOM 57 OE1 GLU A 4 -14.033 8.298 -2.226 1.00 0.00 O ATOM 58 OE2 GLU A 4 -12.976 7.610 -4.060 1.00 0.00 O ATOM 0 H GLU A 4 -13.656 4.281 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.325 5.558 -2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.147 4.397 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.670 5.657 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.724 5.868 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.826 6.646 -3.144 1.00 0.00 H new ATOM 65 N GLU A 5 -13.064 2.468 -1.301 1.00 0.00 N ATOM 66 CA GLU A 5 -12.798 1.425 -0.320 1.00 0.00 C ATOM 67 C GLU A 5 -11.296 1.370 -0.049 1.00 0.00 C ATOM 68 O GLU A 5 -10.827 1.416 1.086 1.00 0.00 O ATOM 69 CB GLU A 5 -13.224 0.055 -0.870 1.00 0.00 C ATOM 70 CG GLU A 5 -14.726 -0.019 -1.122 1.00 0.00 C ATOM 71 CD GLU A 5 -15.107 -1.324 -1.816 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.888 -2.383 -1.192 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.610 -1.240 -2.960 1.00 0.00 O ATOM 0 H GLU A 5 -13.523 2.127 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.355 1.650 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.691 -0.144 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.936 -0.724 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.260 0.062 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.036 0.826 -1.736 1.00 0.00 H new ATOM 80 N LEU A 6 -10.543 1.269 -1.142 1.00 0.00 N ATOM 81 CA LEU A 6 -9.098 1.122 -1.115 1.00 0.00 C ATOM 82 C LEU A 6 -8.468 2.430 -0.658 1.00 0.00 C ATOM 83 O LEU A 6 -7.464 2.421 0.045 1.00 0.00 O ATOM 84 CB LEU A 6 -8.585 0.617 -2.468 1.00 0.00 C ATOM 85 CG LEU A 6 -9.129 -0.785 -2.810 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.626 -1.200 -4.193 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.708 -1.860 -1.798 1.00 0.00 C ATOM 0 H LEU A 6 -10.931 1.288 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.802 0.362 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.876 1.319 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.495 0.589 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.216 -0.714 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.009 -2.191 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.974 -0.483 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.536 -1.222 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.123 -2.823 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.620 -1.927 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.081 -1.595 -0.809 1.00 0.00 H new ATOM 99 N LYS A 7 -9.065 3.558 -1.031 1.00 0.00 N ATOM 100 CA LYS A 7 -8.642 4.867 -0.566 1.00 0.00 C ATOM 101 C LYS A 7 -8.785 4.919 0.957 1.00 0.00 C ATOM 102 O LYS A 7 -7.877 5.367 1.657 1.00 0.00 O ATOM 103 CB LYS A 7 -9.506 5.928 -1.255 1.00 0.00 C ATOM 104 CG LYS A 7 -9.141 7.379 -0.903 1.00 0.00 C ATOM 105 CD LYS A 7 -7.705 7.764 -1.286 1.00 0.00 C ATOM 106 CE LYS A 7 -7.407 9.234 -0.963 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.430 9.496 0.489 1.00 0.00 N ATOM 0 H LYS A 7 -9.861 3.585 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.598 5.059 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.425 5.799 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.549 5.755 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.835 8.052 -1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.274 7.528 0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.002 7.124 -0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.552 7.587 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.430 9.503 -1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.141 9.870 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.093 10.462 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.402 9.395 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.811 8.815 0.974 1.00 0.00 H new ATOM 121 N GLY A 8 -9.922 4.444 1.472 1.00 0.00 N ATOM 122 CA GLY A 8 -10.214 4.408 2.892 1.00 0.00 C ATOM 123 C GLY A 8 -9.164 3.560 3.595 1.00 0.00 C ATOM 124 O GLY A 8 -8.548 4.002 4.556 1.00 0.00 O ATOM 0 H GLY A 8 -10.675 4.068 0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.217 5.418 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.208 3.993 3.061 1.00 0.00 H new ATOM 128 N ILE A 9 -8.954 2.339 3.105 1.00 0.00 N ATOM 129 CA ILE A 9 -7.969 1.406 3.639 1.00 0.00 C ATOM 130 C ILE A 9 -6.574 2.049 3.628 1.00 0.00 C ATOM 131 O ILE A 9 -5.879 2.054 4.642 1.00 0.00 O ATOM 132 CB ILE A 9 -8.040 0.111 2.815 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.384 -0.610 3.039 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.848 -0.818 3.061 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.425 -1.487 4.295 1.00 0.00 C ATOM 0 H ILE A 9 -9.474 1.966 2.311 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.182 1.159 4.679 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.981 0.400 1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.177 0.135 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.600 -1.230 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.954 -1.715 2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.925 -0.304 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.815 -1.097 4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.405 -1.958 4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.657 -2.257 4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.243 -0.871 5.175 1.00 0.00 H new ATOM 147 N PHE A 10 -6.161 2.599 2.485 1.00 0.00 N ATOM 148 CA PHE A 10 -4.879 3.273 2.330 1.00 0.00 C ATOM 149 C PHE A 10 -4.742 4.325 3.426 1.00 0.00 C ATOM 150 O PHE A 10 -3.760 4.327 4.157 1.00 0.00 O ATOM 151 CB PHE A 10 -4.788 3.933 0.947 1.00 0.00 C ATOM 152 CG PHE A 10 -3.598 4.857 0.767 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.676 6.172 1.265 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.342 4.343 0.398 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.528 6.769 1.799 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.186 5.093 0.673 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.270 6.235 1.485 1.00 0.00 C ATOM 0 H PHE A 10 -6.719 2.586 1.631 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.071 2.547 2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.743 3.152 0.188 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.702 4.499 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.610 6.713 1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.267 3.383 -0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.610 7.631 2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.235 4.791 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.372 6.699 1.865 1.00 0.00 H new ATOM 167 N GLU A 11 -5.731 5.216 3.536 1.00 0.00 N ATOM 168 CA GLU A 11 -5.733 6.284 4.521 1.00 0.00 C ATOM 169 C GLU A 11 -5.651 5.705 5.936 1.00 0.00 C ATOM 170 O GLU A 11 -4.875 6.184 6.759 1.00 0.00 O ATOM 171 CB GLU A 11 -6.975 7.160 4.309 1.00 0.00 C ATOM 172 CG GLU A 11 -6.878 8.478 5.086 1.00 0.00 C ATOM 173 CD GLU A 11 -8.053 9.393 4.761 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.106 9.855 3.600 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.882 9.605 5.673 1.00 0.00 O ATOM 0 H GLU A 11 -6.556 5.210 2.936 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.854 6.916 4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.094 7.372 3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.864 6.615 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.858 8.272 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.943 8.981 4.841 1.00 0.00 H new ATOM 182 N LYS A 12 -6.445 4.670 6.217 1.00 0.00 N ATOM 183 CA LYS A 12 -6.480 3.996 7.504 1.00 0.00 C ATOM 184 C LYS A 12 -5.069 3.561 7.887 1.00 0.00 C ATOM 185 O LYS A 12 -4.604 3.903 8.969 1.00 0.00 O ATOM 186 CB LYS A 12 -7.449 2.802 7.459 1.00 0.00 C ATOM 187 CG LYS A 12 -7.657 2.168 8.842 1.00 0.00 C ATOM 188 CD LYS A 12 -8.474 0.869 8.765 1.00 0.00 C ATOM 189 CE LYS A 12 -7.665 -0.284 8.151 1.00 0.00 C ATOM 190 NZ LYS A 12 -8.402 -1.558 8.210 1.00 0.00 N ATOM 0 H LYS A 12 -7.093 4.273 5.537 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.847 4.683 8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.410 3.132 7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.063 2.050 6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.687 1.960 9.294 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.167 2.878 9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.804 0.588 9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.371 1.040 8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.426 -0.049 7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.718 -0.387 8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.825 -2.313 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.608 -1.794 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.294 -1.468 7.683 1.00 0.00 H new ATOM 204 N TYR A 13 -4.376 2.816 7.018 1.00 0.00 N ATOM 205 CA TYR A 13 -3.025 2.389 7.340 1.00 0.00 C ATOM 206 C TYR A 13 -2.096 3.599 7.400 1.00 0.00 C ATOM 207 O TYR A 13 -1.359 3.748 8.371 1.00 0.00 O ATOM 208 CB TYR A 13 -2.557 1.274 6.404 1.00 0.00 C ATOM 209 CG TYR A 13 -3.075 -0.084 6.835 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.351 -0.496 6.418 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.316 -0.920 7.681 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.876 -1.717 6.859 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.914 -2.057 8.248 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.187 -2.468 7.824 1.00 0.00 C ATOM 215 OH TYR A 13 -4.760 -3.587 8.340 1.00 0.00 O ATOM 0 H TYR A 13 -4.724 2.507 6.110 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.006 1.942 8.334 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.896 1.486 5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.467 1.255 6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.929 0.131 5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.283 -0.687 7.891 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.810 -2.080 6.457 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.393 -2.616 9.012 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.060 -4.207 8.633 1.00 0.00 H new ATOM 225 N ALA A 14 -2.125 4.484 6.400 1.00 0.00 N ATOM 226 CA ALA A 14 -1.275 5.670 6.404 1.00 0.00 C ATOM 227 C ALA A 14 -1.385 6.455 7.718 1.00 0.00 C ATOM 228 O ALA A 14 -0.398 6.976 8.221 1.00 0.00 O ATOM 229 CB ALA A 14 -1.630 6.542 5.204 1.00 0.00 C ATOM 0 H ALA A 14 -2.727 4.399 5.581 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.235 5.353 6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.999 7.431 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.469 5.979 4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.676 6.841 5.268 1.00 0.00 H new ATOM 235 N ALA A 15 -2.582 6.542 8.297 1.00 0.00 N ATOM 236 CA ALA A 15 -2.804 7.254 9.545 1.00 0.00 C ATOM 237 C ALA A 15 -2.004 6.698 10.733 1.00 0.00 C ATOM 238 O ALA A 15 -1.811 7.424 11.705 1.00 0.00 O ATOM 239 CB ALA A 15 -4.301 7.277 9.864 1.00 0.00 C ATOM 0 H ALA A 15 -3.425 6.118 7.909 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.435 8.269 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.465 7.811 10.800 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.837 7.781 9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.668 6.255 9.960 1.00 0.00 H new ATOM 245 N LYS A 16 -1.541 5.441 10.705 1.00 0.00 N ATOM 246 CA LYS A 16 -0.804 4.877 11.828 1.00 0.00 C ATOM 247 C LYS A 16 0.591 5.498 11.981 1.00 0.00 C ATOM 248 O LYS A 16 1.006 5.777 13.104 1.00 0.00 O ATOM 249 CB LYS A 16 -0.688 3.354 11.678 1.00 0.00 C ATOM 250 CG LYS A 16 -1.411 2.546 12.763 1.00 0.00 C ATOM 251 CD LYS A 16 -2.934 2.471 12.575 1.00 0.00 C ATOM 252 CE LYS A 16 -3.353 1.878 11.223 1.00 0.00 C ATOM 253 NZ LYS A 16 -2.658 0.616 10.907 1.00 0.00 N ATOM 0 H LYS A 16 -1.666 4.804 9.918 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.366 5.113 12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.086 3.067 10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.367 3.081 11.684 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.007 1.534 12.778 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.197 2.989 13.735 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.362 1.868 13.376 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.354 3.472 12.670 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.429 1.703 11.227 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.151 2.604 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.303 -0.016 10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.825 0.817 10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.355 0.156 11.789 1.00 0.00 H new ATOM 267 N GLU A 17 1.324 5.691 10.879 1.00 0.00 N ATOM 268 CA GLU A 17 2.682 6.229 10.902 1.00 0.00 C ATOM 269 C GLU A 17 2.872 7.249 9.788 1.00 0.00 C ATOM 270 O GLU A 17 2.416 7.052 8.669 1.00 0.00 O ATOM 271 CB GLU A 17 3.724 5.128 10.690 1.00 0.00 C ATOM 272 CG GLU A 17 3.661 3.973 11.700 1.00 0.00 C ATOM 273 CD GLU A 17 4.662 2.867 11.369 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.584 3.144 10.567 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.496 1.761 11.926 1.00 0.00 O ATOM 0 H GLU A 17 0.986 5.476 9.941 1.00 0.00 H new ATOM 0 HA GLU A 17 2.819 6.690 11.880 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.601 4.721 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.717 5.575 10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.861 4.355 12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.653 3.558 11.713 1.00 0.00 H new ATOM 282 N GLY A 18 3.589 8.323 10.101 1.00 0.00 N ATOM 283 CA GLY A 18 3.867 9.396 9.164 1.00 0.00 C ATOM 284 C GLY A 18 2.606 10.212 8.878 1.00 0.00 C ATOM 285 O GLY A 18 1.662 10.220 9.663 1.00 0.00 O ATOM 0 H GLY A 18 3.996 8.471 11.024 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.642 10.047 9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.255 8.980 8.234 1.00 0.00 H new ATOM 289 N ASP A 19 2.596 10.913 7.745 1.00 0.00 N ATOM 290 CA ASP A 19 1.466 11.736 7.337 1.00 0.00 C ATOM 291 C ASP A 19 0.379 10.814 6.767 1.00 0.00 C ATOM 292 O ASP A 19 0.731 9.876 6.057 1.00 0.00 O ATOM 293 CB ASP A 19 1.956 12.731 6.275 1.00 0.00 C ATOM 294 CG ASP A 19 0.854 13.681 5.824 1.00 0.00 C ATOM 295 OD1 ASP A 19 -0.032 13.207 5.081 1.00 0.00 O ATOM 296 OD2 ASP A 19 0.905 14.857 6.244 1.00 0.00 O ATOM 0 H ASP A 19 3.374 10.924 7.085 1.00 0.00 H new ATOM 0 HA ASP A 19 1.051 12.292 8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.789 13.308 6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.335 12.182 5.413 1.00 0.00 H new ATOM 301 N PRO A 20 -0.921 11.054 7.021 1.00 0.00 N ATOM 302 CA PRO A 20 -2.008 10.221 6.507 1.00 0.00 C ATOM 303 C PRO A 20 -2.034 10.053 4.978 1.00 0.00 C ATOM 304 O PRO A 20 -2.776 9.214 4.475 1.00 0.00 O ATOM 305 CB PRO A 20 -3.305 10.830 7.052 1.00 0.00 C ATOM 306 CG PRO A 20 -2.918 12.269 7.388 1.00 0.00 C ATOM 307 CD PRO A 20 -1.463 12.132 7.832 1.00 0.00 C ATOM 0 HA PRO A 20 -1.865 9.196 6.850 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.106 10.793 6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.659 10.295 7.933 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.017 12.927 6.525 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.545 12.683 8.178 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.913 13.060 7.673 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.395 11.899 8.895 1.00 0.00 H new ATOM 315 N ASN A 21 -1.247 10.819 4.219 1.00 0.00 N ATOM 316 CA ASN A 21 -1.141 10.678 2.776 1.00 0.00 C ATOM 317 C ASN A 21 -0.100 9.612 2.402 1.00 0.00 C ATOM 318 O ASN A 21 -0.114 9.130 1.270 1.00 0.00 O ATOM 319 CB ASN A 21 -0.741 12.035 2.196 1.00 0.00 C ATOM 320 CG ASN A 21 -0.425 11.950 0.708 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.306 11.800 -0.127 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.844 12.044 0.347 1.00 0.00 N ATOM 0 H ASN A 21 -0.661 11.562 4.600 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.099 10.357 2.367 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.549 12.749 2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.130 12.415 2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.099 11.992 -0.639 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.568 12.169 1.055 1.00 0.00 H new ATOM 329 N GLN A 22 0.803 9.245 3.323 1.00 0.00 N ATOM 330 CA GLN A 22 1.878 8.294 3.078 1.00 0.00 C ATOM 331 C GLN A 22 1.799 7.009 3.909 1.00 0.00 C ATOM 332 O GLN A 22 1.418 7.015 5.072 1.00 0.00 O ATOM 333 CB GLN A 22 3.240 8.926 3.386 1.00 0.00 C ATOM 334 CG GLN A 22 3.801 9.883 2.326 1.00 0.00 C ATOM 335 CD GLN A 22 3.691 11.324 2.795 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.905 12.108 2.278 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.473 11.696 3.796 1.00 0.00 N ATOM 0 H GLN A 22 0.800 9.612 4.275 1.00 0.00 H new ATOM 0 HA GLN A 22 1.764 8.032 2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.160 9.468 4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.962 8.124 3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.844 9.639 2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.257 9.757 1.390 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.121 11.027 4.213 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.428 12.651 4.151 1.00 0.00 H new ATOM 346 N LEU A 23 2.218 5.905 3.293 1.00 0.00 N ATOM 347 CA LEU A 23 2.346 4.579 3.878 1.00 0.00 C ATOM 348 C LEU A 23 3.828 4.306 4.120 1.00 0.00 C ATOM 349 O LEU A 23 4.563 4.090 3.163 1.00 0.00 O ATOM 350 CB LEU A 23 1.870 3.546 2.855 1.00 0.00 C ATOM 351 CG LEU A 23 0.389 3.208 2.929 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.074 2.278 1.748 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.008 2.503 4.227 1.00 0.00 C ATOM 0 H LEU A 23 2.493 5.918 2.311 1.00 0.00 H new ATOM 0 HA LEU A 23 1.768 4.521 4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.094 3.917 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.444 2.630 2.991 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.174 4.141 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.983 2.012 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.304 2.788 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.677 1.373 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.077 2.291 4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.546 1.569 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.224 3.146 5.076 1.00 0.00 H new ATOM 365 N SER A 24 4.303 4.292 5.362 1.00 0.00 N ATOM 366 CA SER A 24 5.715 4.003 5.599 1.00 0.00 C ATOM 367 C SER A 24 6.031 2.574 5.141 1.00 0.00 C ATOM 368 O SER A 24 5.124 1.757 4.996 1.00 0.00 O ATOM 369 CB SER A 24 6.071 4.211 7.077 1.00 0.00 C ATOM 370 OG SER A 24 5.572 3.142 7.857 1.00 0.00 O ATOM 0 H SER A 24 3.749 4.472 6.200 1.00 0.00 H new ATOM 0 HA SER A 24 6.326 4.694 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.153 4.280 7.191 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.653 5.154 7.430 1.00 0.00 H new ATOM 0 HG SER A 24 5.791 3.295 8.800 1.00 0.00 H new ATOM 376 N LYS A 25 7.308 2.249 4.923 1.00 0.00 N ATOM 377 CA LYS A 25 7.715 0.893 4.558 1.00 0.00 C ATOM 378 C LYS A 25 7.117 -0.095 5.563 1.00 0.00 C ATOM 379 O LYS A 25 6.473 -1.080 5.204 1.00 0.00 O ATOM 380 CB LYS A 25 9.252 0.834 4.444 1.00 0.00 C ATOM 381 CG LYS A 25 9.873 -0.518 4.838 1.00 0.00 C ATOM 382 CD LYS A 25 11.405 -0.554 4.730 1.00 0.00 C ATOM 383 CE LYS A 25 11.893 -0.361 3.291 1.00 0.00 C ATOM 384 NZ LYS A 25 13.331 -0.659 3.158 1.00 0.00 N ATOM 0 H LYS A 25 8.080 2.912 4.994 1.00 0.00 H new ATOM 0 HA LYS A 25 7.330 0.606 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.536 1.064 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.680 1.613 5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.585 -0.754 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.455 -1.298 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.830 0.226 5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.771 -1.508 5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.324 -1.009 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.704 0.665 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.670 -0.327 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.857 -0.175 3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.481 -1.685 3.234 1.00 0.00 H new ATOM 398 N GLU A 26 7.331 0.209 6.838 1.00 0.00 N ATOM 399 CA GLU A 26 6.794 -0.566 7.944 1.00 0.00 C ATOM 400 C GLU A 26 5.266 -0.656 7.824 1.00 0.00 C ATOM 401 O GLU A 26 4.692 -1.734 7.937 1.00 0.00 O ATOM 402 CB GLU A 26 7.229 0.069 9.275 1.00 0.00 C ATOM 403 CG GLU A 26 6.741 -0.719 10.500 1.00 0.00 C ATOM 404 CD GLU A 26 7.252 -2.158 10.509 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.492 -2.317 10.523 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.399 -3.071 10.490 1.00 0.00 O ATOM 0 H GLU A 26 7.889 1.010 7.133 1.00 0.00 H new ATOM 0 HA GLU A 26 7.187 -1.582 7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.317 0.136 9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.846 1.088 9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.070 -0.214 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.651 -0.723 10.515 1.00 0.00 H new ATOM 413 N GLU A 27 4.591 0.469 7.591 1.00 0.00 N ATOM 414 CA GLU A 27 3.141 0.486 7.475 1.00 0.00 C ATOM 415 C GLU A 27 2.639 -0.406 6.337 1.00 0.00 C ATOM 416 O GLU A 27 1.644 -1.120 6.483 1.00 0.00 O ATOM 417 CB GLU A 27 2.669 1.933 7.303 1.00 0.00 C ATOM 418 CG GLU A 27 1.177 2.090 7.593 1.00 0.00 C ATOM 419 CD GLU A 27 0.818 1.705 9.026 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.653 1.975 9.915 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.273 1.123 9.205 1.00 0.00 O ATOM 0 H GLU A 27 5.031 1.382 7.479 1.00 0.00 H new ATOM 0 HA GLU A 27 2.716 0.073 8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.238 2.581 7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.877 2.263 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.882 3.124 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.608 1.470 6.900 1.00 0.00 H new ATOM 428 N LEU A 28 3.320 -0.367 5.190 1.00 0.00 N ATOM 429 CA LEU A 28 2.943 -1.174 4.045 1.00 0.00 C ATOM 430 C LEU A 28 2.879 -2.652 4.434 1.00 0.00 C ATOM 431 O LEU A 28 1.955 -3.350 4.023 1.00 0.00 O ATOM 432 CB LEU A 28 3.941 -0.950 2.905 1.00 0.00 C ATOM 433 CG LEU A 28 3.480 -1.618 1.601 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.326 -0.860 0.938 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.658 -1.751 0.636 1.00 0.00 C ATOM 0 H LEU A 28 4.139 0.221 5.037 1.00 0.00 H new ATOM 0 HA LEU A 28 1.952 -0.874 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.069 0.120 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.915 -1.347 3.192 1.00 0.00 H new ATOM 0 HG LEU A 28 3.106 -2.610 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.035 -1.371 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.475 -0.825 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.645 0.155 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.321 -2.226 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.057 -0.762 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.437 -2.360 1.094 1.00 0.00 H new ATOM 447 N LYS A 29 3.851 -3.124 5.223 1.00 0.00 N ATOM 448 CA LYS A 29 3.901 -4.519 5.653 1.00 0.00 C ATOM 449 C LYS A 29 2.553 -4.928 6.234 1.00 0.00 C ATOM 450 O LYS A 29 1.867 -5.777 5.668 1.00 0.00 O ATOM 451 CB LYS A 29 5.030 -4.745 6.669 1.00 0.00 C ATOM 452 CG LYS A 29 4.992 -6.112 7.367 1.00 0.00 C ATOM 453 CD LYS A 29 5.172 -7.284 6.392 1.00 0.00 C ATOM 454 CE LYS A 29 5.072 -8.633 7.115 1.00 0.00 C ATOM 455 NZ LYS A 29 6.117 -8.793 8.140 1.00 0.00 N ATOM 0 H LYS A 29 4.618 -2.552 5.577 1.00 0.00 H new ATOM 0 HA LYS A 29 4.114 -5.144 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.988 -4.638 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.982 -3.963 7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.776 -6.151 8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.041 -6.222 7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.413 -7.230 5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.141 -7.204 5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.091 -8.721 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.153 -9.440 6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.108 -9.770 8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.047 -8.584 7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.935 -8.137 8.926 1.00 0.00 H new ATOM 469 N LEU A 30 2.183 -4.324 7.365 1.00 0.00 N ATOM 470 CA LEU A 30 0.924 -4.604 8.031 1.00 0.00 C ATOM 471 C LEU A 30 -0.249 -4.509 7.054 1.00 0.00 C ATOM 472 O LEU A 30 -1.120 -5.377 7.061 1.00 0.00 O ATOM 473 CB LEU A 30 0.692 -3.734 9.279 1.00 0.00 C ATOM 474 CG LEU A 30 1.684 -2.611 9.613 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.028 -1.635 10.596 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.959 -3.149 10.267 1.00 0.00 C ATOM 0 H LEU A 30 2.755 -3.626 7.841 1.00 0.00 H new ATOM 0 HA LEU A 30 0.987 -5.631 8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.294 -3.280 9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.653 -4.402 10.140 1.00 0.00 H new ATOM 0 HG LEU A 30 1.949 -2.120 8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.728 -0.835 10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.133 -1.209 10.143 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.756 -2.166 11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.633 -2.321 10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.703 -3.664 11.193 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.450 -3.846 9.588 1.00 0.00 H new ATOM 488 N LEU A 31 -0.280 -3.471 6.214 1.00 0.00 N ATOM 489 CA LEU A 31 -1.337 -3.295 5.224 1.00 0.00 C ATOM 490 C LEU A 31 -1.503 -4.574 4.401 1.00 0.00 C ATOM 491 O LEU A 31 -2.574 -5.181 4.370 1.00 0.00 O ATOM 492 CB LEU A 31 -0.994 -2.117 4.299 1.00 0.00 C ATOM 493 CG LEU A 31 -2.210 -1.398 3.697 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.752 -0.518 2.539 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.346 -2.298 3.221 1.00 0.00 C ATOM 0 H LEU A 31 0.425 -2.734 6.204 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.274 -3.083 5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.402 -1.393 4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.366 -2.482 3.486 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.630 -0.817 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.613 -0.006 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.036 0.219 2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.280 -1.137 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.150 -1.685 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.977 -2.971 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.723 -2.882 4.060 1.00 0.00 H new ATOM 507 N LEU A 32 -0.416 -4.978 3.740 1.00 0.00 N ATOM 508 CA LEU A 32 -0.404 -6.150 2.881 1.00 0.00 C ATOM 509 C LEU A 32 -0.818 -7.372 3.691 1.00 0.00 C ATOM 510 O LEU A 32 -1.687 -8.132 3.280 1.00 0.00 O ATOM 511 CB LEU A 32 0.984 -6.391 2.267 1.00 0.00 C ATOM 512 CG LEU A 32 1.529 -5.237 1.411 1.00 0.00 C ATOM 513 CD1 LEU A 32 3.060 -5.279 1.405 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.069 -5.342 -0.044 1.00 0.00 C ATOM 0 H LEU A 32 0.481 -4.495 3.790 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.107 -5.978 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.691 -6.590 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.941 -7.290 1.652 1.00 0.00 H new ATOM 0 HG LEU A 32 1.153 -4.311 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.444 -4.460 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.431 -5.179 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.396 -6.228 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.476 -4.508 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.423 -6.281 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.020 -5.313 -0.084 1.00 0.00 H new ATOM 526 N GLN A 33 -0.185 -7.555 4.848 1.00 0.00 N ATOM 527 CA GLN A 33 -0.431 -8.689 5.719 1.00 0.00 C ATOM 528 C GLN A 33 -1.904 -8.818 6.108 1.00 0.00 C ATOM 529 O GLN A 33 -2.435 -9.924 6.129 1.00 0.00 O ATOM 530 CB GLN A 33 0.542 -8.656 6.911 1.00 0.00 C ATOM 531 CG GLN A 33 -0.096 -8.530 8.300 1.00 0.00 C ATOM 532 CD GLN A 33 0.968 -8.541 9.394 1.00 0.00 C ATOM 533 OE1 GLN A 33 1.231 -7.539 10.041 1.00 0.00 O ATOM 534 NE2 GLN A 33 1.609 -9.677 9.624 1.00 0.00 N ATOM 0 H GLN A 33 0.520 -6.910 5.206 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.224 -9.608 5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.141 -9.566 6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.227 -7.820 6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.672 -7.606 8.357 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.795 -9.351 8.459 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.383 -10.509 9.079 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.328 -9.720 10.346 1.00 0.00 H new ATOM 543 N THR A 34 -2.559 -7.702 6.423 1.00 0.00 N ATOM 544 CA THR A 34 -3.955 -7.729 6.834 1.00 0.00 C ATOM 545 C THR A 34 -4.894 -7.934 5.645 1.00 0.00 C ATOM 546 O THR A 34 -5.784 -8.777 5.692 1.00 0.00 O ATOM 547 CB THR A 34 -4.354 -6.431 7.562 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.379 -5.994 8.493 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.671 -6.642 8.322 1.00 0.00 C ATOM 0 H THR A 34 -2.143 -6.771 6.401 1.00 0.00 H new ATOM 0 HA THR A 34 -4.055 -8.573 7.516 1.00 0.00 H new ATOM 0 HB THR A 34 -4.455 -5.668 6.790 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.614 -5.616 8.012 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.947 -5.720 8.834 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.457 -6.916 7.618 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.545 -7.440 9.054 1.00 0.00 H new ATOM 557 N GLU A 35 -4.725 -7.128 4.595 1.00 0.00 N ATOM 558 CA GLU A 35 -5.651 -7.101 3.473 1.00 0.00 C ATOM 559 C GLU A 35 -5.410 -8.155 2.395 1.00 0.00 C ATOM 560 O GLU A 35 -6.374 -8.661 1.826 1.00 0.00 O ATOM 561 CB GLU A 35 -5.656 -5.692 2.871 1.00 0.00 C ATOM 562 CG GLU A 35 -5.933 -4.595 3.912 1.00 0.00 C ATOM 563 CD GLU A 35 -7.251 -4.781 4.654 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.271 -4.990 3.961 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.217 -4.697 5.901 1.00 0.00 O ATOM 0 H GLU A 35 -3.943 -6.479 4.503 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.629 -7.361 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.693 -5.501 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.412 -5.640 2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.117 -4.577 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.939 -3.625 3.414 1.00 0.00 H new ATOM 572 N PHE A 36 -4.159 -8.486 2.077 1.00 0.00 N ATOM 573 CA PHE A 36 -3.883 -9.440 1.008 1.00 0.00 C ATOM 574 C PHE A 36 -2.507 -10.069 1.266 1.00 0.00 C ATOM 575 O PHE A 36 -1.537 -9.725 0.592 1.00 0.00 O ATOM 576 CB PHE A 36 -3.934 -8.741 -0.373 1.00 0.00 C ATOM 577 CG PHE A 36 -4.003 -7.223 -0.351 1.00 0.00 C ATOM 578 CD1 PHE A 36 -2.815 -6.517 -0.106 1.00 0.00 C ATOM 579 CD2 PHE A 36 -5.213 -6.521 -0.512 1.00 0.00 C ATOM 580 CE1 PHE A 36 -2.824 -5.117 -0.042 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.229 -5.119 -0.404 1.00 0.00 C ATOM 582 CZ PHE A 36 -4.033 -4.414 -0.175 1.00 0.00 C ATOM 0 H PHE A 36 -3.330 -8.112 2.539 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.642 -10.222 0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.051 -9.036 -0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.802 -9.116 -0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.889 -7.055 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.127 -7.058 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.900 -4.578 0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.161 -4.582 -0.497 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.044 -3.337 -0.102 1.00 0.00 H new ATOM 592 N PRO A 37 -2.381 -11.005 2.223 1.00 0.00 N ATOM 593 CA PRO A 37 -1.113 -11.675 2.493 1.00 0.00 C ATOM 594 C PRO A 37 -0.540 -12.319 1.222 1.00 0.00 C ATOM 595 O PRO A 37 0.672 -12.471 1.085 1.00 0.00 O ATOM 596 CB PRO A 37 -1.399 -12.683 3.611 1.00 0.00 C ATOM 597 CG PRO A 37 -2.916 -12.877 3.562 1.00 0.00 C ATOM 598 CD PRO A 37 -3.425 -11.513 3.098 1.00 0.00 C ATOM 0 HA PRO A 37 -0.341 -10.976 2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.872 -13.622 3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.077 -12.304 4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.199 -13.670 2.869 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.320 -13.147 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.374 -11.604 2.570 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.593 -10.845 3.943 1.00 0.00 H new ATOM 606 N SER A 38 -1.402 -12.671 0.267 1.00 0.00 N ATOM 607 CA SER A 38 -1.012 -13.218 -1.019 1.00 0.00 C ATOM 608 C SER A 38 0.011 -12.321 -1.723 1.00 0.00 C ATOM 609 O SER A 38 0.915 -12.823 -2.383 1.00 0.00 O ATOM 610 CB SER A 38 -2.273 -13.399 -1.865 1.00 0.00 C ATOM 611 OG SER A 38 -3.003 -12.185 -1.885 1.00 0.00 O ATOM 0 H SER A 38 -2.412 -12.579 0.376 1.00 0.00 H new ATOM 0 HA SER A 38 -0.526 -14.183 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.005 -13.692 -2.880 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.888 -14.200 -1.454 1.00 0.00 H new ATOM 0 HG SER A 38 -3.232 -11.956 -2.810 1.00 0.00 H new ATOM 617 N LEU A 39 -0.102 -10.998 -1.585 1.00 0.00 N ATOM 618 CA LEU A 39 0.820 -10.058 -2.194 1.00 0.00 C ATOM 619 C LEU A 39 2.210 -10.222 -1.585 1.00 0.00 C ATOM 620 O LEU A 39 3.209 -10.113 -2.288 1.00 0.00 O ATOM 621 CB LEU A 39 0.238 -8.647 -2.046 1.00 0.00 C ATOM 622 CG LEU A 39 -0.350 -8.187 -3.388 1.00 0.00 C ATOM 623 CD1 LEU A 39 -1.334 -7.036 -3.184 1.00 0.00 C ATOM 624 CD2 LEU A 39 0.767 -7.740 -4.340 1.00 0.00 C ATOM 0 H LEU A 39 -0.843 -10.554 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 39 0.942 -10.250 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.535 -8.641 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.015 -7.955 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.880 -9.032 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.737 -6.727 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.148 -7.364 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.819 -6.195 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.332 -7.417 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.317 -6.912 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.447 -8.573 -4.519 1.00 0.00 H new ATOM 636 N LEU A 40 2.275 -10.517 -0.285 1.00 0.00 N ATOM 637 CA LEU A 40 3.552 -10.773 0.381 1.00 0.00 C ATOM 638 C LEU A 40 4.109 -12.093 -0.147 1.00 0.00 C ATOM 639 O LEU A 40 5.274 -12.171 -0.529 1.00 0.00 O ATOM 640 CB LEU A 40 3.412 -10.851 1.908 1.00 0.00 C ATOM 641 CG LEU A 40 3.019 -9.522 2.559 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.640 -9.768 4.022 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.177 -8.518 2.517 1.00 0.00 C ATOM 0 H LEU A 40 1.460 -10.584 0.325 1.00 0.00 H new ATOM 0 HA LEU A 40 4.224 -9.943 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.663 -11.603 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.357 -11.189 2.334 1.00 0.00 H new ATOM 0 HG LEU A 40 2.176 -9.110 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.360 -8.824 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.799 -10.460 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.491 -10.196 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.867 -7.585 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.033 -8.927 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.456 -8.327 1.481 1.00 0.00 H new ATOM 655 N LYS A 41 3.270 -13.133 -0.172 1.00 0.00 N ATOM 656 CA LYS A 41 3.670 -14.444 -0.674 1.00 0.00 C ATOM 657 C LYS A 41 4.178 -14.335 -2.116 1.00 0.00 C ATOM 658 O LYS A 41 5.121 -15.028 -2.482 1.00 0.00 O ATOM 659 CB LYS A 41 2.508 -15.439 -0.569 1.00 0.00 C ATOM 660 CG LYS A 41 2.100 -15.687 0.890 1.00 0.00 C ATOM 661 CD LYS A 41 0.972 -16.725 0.950 1.00 0.00 C ATOM 662 CE LYS A 41 0.458 -16.924 2.381 1.00 0.00 C ATOM 663 NZ LYS A 41 1.506 -17.442 3.279 1.00 0.00 N ATOM 0 H LYS A 41 2.304 -13.088 0.153 1.00 0.00 H new ATOM 0 HA LYS A 41 4.487 -14.818 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.652 -15.058 -1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.795 -16.383 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.959 -16.038 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.772 -14.754 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.150 -16.406 0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.332 -17.676 0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.086 -15.975 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.384 -17.616 2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.092 -17.658 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.914 -18.308 2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.252 -16.726 3.391 1.00 0.00 H new ATOM 677 N GLY A 42 3.539 -13.462 -2.904 1.00 0.00 N ATOM 678 CA GLY A 42 3.799 -13.112 -4.295 1.00 0.00 C ATOM 679 C GLY A 42 5.152 -13.573 -4.837 1.00 0.00 C ATOM 680 O GLY A 42 5.198 -14.411 -5.735 1.00 0.00 O ATOM 0 H GLY A 42 2.747 -12.932 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.011 -13.541 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.733 -12.029 -4.400 1.00 0.00 H new ATOM 684 N GLY A 43 6.245 -13.024 -4.300 1.00 0.00 N ATOM 685 CA GLY A 43 7.599 -13.378 -4.708 1.00 0.00 C ATOM 686 C GLY A 43 8.511 -12.159 -4.772 1.00 0.00 C ATOM 687 O GLY A 43 9.126 -11.891 -5.800 1.00 0.00 O ATOM 0 H GLY A 43 6.210 -12.317 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.011 -14.103 -4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.569 -13.861 -5.685 1.00 0.00 H new ATOM 691 N SER A 44 8.606 -11.407 -3.675 1.00 0.00 N ATOM 692 CA SER A 44 9.440 -10.227 -3.534 1.00 0.00 C ATOM 693 C SER A 44 9.474 -9.902 -2.047 1.00 0.00 C ATOM 694 O SER A 44 8.443 -10.010 -1.388 1.00 0.00 O ATOM 695 CB SER A 44 8.825 -9.054 -4.304 1.00 0.00 C ATOM 696 OG SER A 44 9.120 -9.146 -5.683 1.00 0.00 O ATOM 0 H SER A 44 8.079 -11.618 -2.828 1.00 0.00 H new ATOM 0 HA SER A 44 10.441 -10.402 -3.930 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.745 -9.045 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.208 -8.113 -3.908 1.00 0.00 H new ATOM 0 HG SER A 44 9.187 -10.089 -5.941 1.00 0.00 H new ATOM 702 N THR A 45 10.629 -9.514 -1.510 1.00 0.00 N ATOM 703 CA THR A 45 10.710 -9.158 -0.104 1.00 0.00 C ATOM 704 C THR A 45 10.000 -7.820 0.103 1.00 0.00 C ATOM 705 O THR A 45 9.780 -7.066 -0.847 1.00 0.00 O ATOM 706 CB THR A 45 12.171 -9.064 0.357 1.00 0.00 C ATOM 707 OG1 THR A 45 12.850 -8.076 -0.386 1.00 0.00 O ATOM 708 CG2 THR A 45 12.898 -10.406 0.228 1.00 0.00 C ATOM 0 H THR A 45 11.508 -9.440 -2.023 1.00 0.00 H new ATOM 0 HA THR A 45 10.227 -9.932 0.492 1.00 0.00 H new ATOM 0 HB THR A 45 12.166 -8.790 1.412 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.046 -8.418 -1.283 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.929 -10.295 0.565 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.394 -11.153 0.841 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.889 -10.726 -0.814 1.00 0.00 H new ATOM 716 N LEU A 46 9.662 -7.522 1.358 1.00 0.00 N ATOM 717 CA LEU A 46 9.022 -6.274 1.747 1.00 0.00 C ATOM 718 C LEU A 46 9.780 -5.090 1.153 1.00 0.00 C ATOM 719 O LEU A 46 9.175 -4.176 0.610 1.00 0.00 O ATOM 720 CB LEU A 46 9.015 -6.171 3.279 1.00 0.00 C ATOM 721 CG LEU A 46 8.471 -4.835 3.816 1.00 0.00 C ATOM 722 CD1 LEU A 46 6.996 -4.631 3.446 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.648 -4.796 5.338 1.00 0.00 C ATOM 0 H LEU A 46 9.830 -8.153 2.141 1.00 0.00 H new ATOM 0 HA LEU A 46 7.999 -6.258 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.414 -6.985 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.031 -6.311 3.647 1.00 0.00 H new ATOM 0 HG LEU A 46 9.034 -4.023 3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.650 -3.677 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.889 -4.633 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.399 -5.439 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.265 -3.852 5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.099 -5.623 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.706 -4.886 5.584 1.00 0.00 H new ATOM 735 N ASP A 47 11.107 -5.122 1.268 1.00 0.00 N ATOM 736 CA ASP A 47 12.020 -4.092 0.823 1.00 0.00 C ATOM 737 C ASP A 47 11.903 -3.928 -0.680 1.00 0.00 C ATOM 738 O ASP A 47 11.623 -2.834 -1.140 1.00 0.00 O ATOM 739 CB ASP A 47 13.450 -4.443 1.250 1.00 0.00 C ATOM 740 CG ASP A 47 13.560 -4.535 2.768 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.250 -5.631 3.286 1.00 0.00 O ATOM 742 OD2 ASP A 47 13.915 -3.505 3.381 1.00 0.00 O ATOM 0 H ASP A 47 11.590 -5.911 1.697 1.00 0.00 H new ATOM 0 HA ASP A 47 11.763 -3.139 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.744 -5.392 0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.141 -3.687 0.877 1.00 0.00 H new ATOM 747 N GLU A 48 12.097 -5.000 -1.449 1.00 0.00 N ATOM 748 CA GLU A 48 11.998 -4.939 -2.903 1.00 0.00 C ATOM 749 C GLU A 48 10.634 -4.387 -3.325 1.00 0.00 C ATOM 750 O GLU A 48 10.541 -3.478 -4.146 1.00 0.00 O ATOM 751 CB GLU A 48 12.203 -6.341 -3.486 1.00 0.00 C ATOM 752 CG GLU A 48 13.634 -6.842 -3.257 1.00 0.00 C ATOM 753 CD GLU A 48 13.748 -8.320 -3.611 1.00 0.00 C ATOM 754 OE1 GLU A 48 13.057 -9.108 -2.927 1.00 0.00 O ATOM 755 OE2 GLU A 48 14.513 -8.635 -4.549 1.00 0.00 O ATOM 0 H GLU A 48 12.325 -5.925 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 48 12.770 -4.271 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.497 -7.033 -3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.988 -6.327 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.329 -6.262 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.916 -6.689 -2.215 1.00 0.00 H new ATOM 762 N LEU A 49 9.571 -4.948 -2.752 1.00 0.00 N ATOM 763 CA LEU A 49 8.204 -4.566 -3.052 1.00 0.00 C ATOM 764 C LEU A 49 7.981 -3.081 -2.765 1.00 0.00 C ATOM 765 O LEU A 49 7.635 -2.309 -3.659 1.00 0.00 O ATOM 766 CB LEU A 49 7.268 -5.492 -2.265 1.00 0.00 C ATOM 767 CG LEU A 49 5.796 -5.075 -2.324 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.264 -5.031 -3.761 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.963 -6.068 -1.506 1.00 0.00 C ATOM 0 H LEU A 49 9.643 -5.691 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 49 7.986 -4.688 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.365 -6.506 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.588 -5.517 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 49 5.716 -4.069 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.216 -4.730 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.843 -4.312 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.354 -6.019 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.913 -5.779 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.078 -7.069 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.305 -6.064 -0.471 1.00 0.00 H new ATOM 781 N PHE A 50 8.192 -2.671 -1.516 1.00 0.00 N ATOM 782 CA PHE A 50 8.059 -1.298 -1.089 1.00 0.00 C ATOM 783 C PHE A 50 8.972 -0.423 -1.939 1.00 0.00 C ATOM 784 O PHE A 50 8.598 0.697 -2.244 1.00 0.00 O ATOM 785 CB PHE A 50 8.440 -1.206 0.392 1.00 0.00 C ATOM 786 CG PHE A 50 8.822 0.184 0.821 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.841 1.117 1.182 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.151 0.593 0.642 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.220 2.435 1.486 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.517 1.929 0.861 1.00 0.00 C ATOM 791 CZ PHE A 50 9.557 2.839 1.334 1.00 0.00 C ATOM 0 H PHE A 50 8.465 -3.304 -0.765 1.00 0.00 H new ATOM 0 HA PHE A 50 7.033 -0.952 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.601 -1.549 0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.272 -1.882 0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.802 0.825 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.897 -0.125 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.481 3.140 1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.528 2.255 0.668 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.847 3.850 1.581 1.00 0.00 H new ATOM 801 N GLU A 51 10.159 -0.895 -2.322 1.00 0.00 N ATOM 802 CA GLU A 51 11.056 -0.077 -3.136 1.00 0.00 C ATOM 803 C GLU A 51 10.467 0.147 -4.524 1.00 0.00 C ATOM 804 O GLU A 51 10.515 1.267 -5.024 1.00 0.00 O ATOM 805 CB GLU A 51 12.461 -0.686 -3.215 1.00 0.00 C ATOM 806 CG GLU A 51 13.259 -0.414 -1.930 1.00 0.00 C ATOM 807 CD GLU A 51 14.460 -1.344 -1.787 1.00 0.00 C ATOM 808 OE1 GLU A 51 15.032 -1.714 -2.835 1.00 0.00 O ATOM 809 OE2 GLU A 51 14.785 -1.668 -0.623 1.00 0.00 O ATOM 0 H GLU A 51 10.516 -1.821 -2.087 1.00 0.00 H new ATOM 0 HA GLU A 51 11.156 0.894 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.385 -1.761 -3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.993 -0.270 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.601 0.621 -1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.605 -0.534 -1.066 1.00 0.00 H new ATOM 816 N GLU A 52 9.897 -0.890 -5.145 1.00 0.00 N ATOM 817 CA GLU A 52 9.264 -0.730 -6.447 1.00 0.00 C ATOM 818 C GLU A 52 8.159 0.312 -6.287 1.00 0.00 C ATOM 819 O GLU A 52 8.013 1.232 -7.084 1.00 0.00 O ATOM 820 CB GLU A 52 8.688 -2.079 -6.910 1.00 0.00 C ATOM 821 CG GLU A 52 7.654 -1.942 -8.043 1.00 0.00 C ATOM 822 CD GLU A 52 8.211 -1.257 -9.290 1.00 0.00 C ATOM 823 OE1 GLU A 52 9.378 -1.548 -9.628 1.00 0.00 O ATOM 824 OE2 GLU A 52 7.450 -0.468 -9.891 1.00 0.00 O ATOM 0 H GLU A 52 9.863 -1.837 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 52 9.980 -0.401 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.504 -2.718 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.222 -2.578 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.289 -2.933 -8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.798 -1.375 -7.677 1.00 0.00 H new ATOM 831 N LEU A 53 7.374 0.127 -5.232 1.00 0.00 N ATOM 832 CA LEU A 53 6.256 0.972 -4.889 1.00 0.00 C ATOM 833 C LEU A 53 6.667 2.420 -4.598 1.00 0.00 C ATOM 834 O LEU A 53 6.011 3.345 -5.066 1.00 0.00 O ATOM 835 CB LEU A 53 5.552 0.325 -3.691 1.00 0.00 C ATOM 836 CG LEU A 53 4.610 -0.799 -4.142 1.00 0.00 C ATOM 837 CD1 LEU A 53 4.262 -1.639 -2.917 1.00 0.00 C ATOM 838 CD2 LEU A 53 3.322 -0.269 -4.784 1.00 0.00 C ATOM 0 H LEU A 53 7.510 -0.642 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 53 5.579 1.045 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.295 -0.075 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.986 1.081 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 53 5.119 -1.391 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.592 -2.448 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.174 -2.059 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.771 -1.012 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.693 -1.107 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.784 0.349 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.572 0.329 -5.660 1.00 0.00 H new ATOM 850 N ASP A 54 7.735 2.653 -3.835 1.00 0.00 N ATOM 851 CA ASP A 54 8.180 3.987 -3.465 1.00 0.00 C ATOM 852 C ASP A 54 8.967 4.560 -4.645 1.00 0.00 C ATOM 853 O ASP A 54 10.163 4.816 -4.528 1.00 0.00 O ATOM 854 CB ASP A 54 9.012 3.920 -2.167 1.00 0.00 C ATOM 855 CG ASP A 54 9.434 5.300 -1.652 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.015 6.309 -2.261 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.198 5.347 -0.660 1.00 0.00 O ATOM 0 H ASP A 54 8.319 1.908 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 54 7.338 4.647 -3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.432 3.413 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.903 3.317 -2.344 1.00 0.00 H new ATOM 862 N LYS A 55 8.297 4.774 -5.781 1.00 0.00 N ATOM 863 CA LYS A 55 8.939 5.287 -6.990 1.00 0.00 C ATOM 864 C LYS A 55 9.546 6.664 -6.721 1.00 0.00 C ATOM 865 O LYS A 55 10.548 7.040 -7.322 1.00 0.00 O ATOM 866 CB LYS A 55 7.958 5.339 -8.170 1.00 0.00 C ATOM 867 CG LYS A 55 7.321 3.970 -8.458 1.00 0.00 C ATOM 868 CD LYS A 55 6.249 4.034 -9.553 1.00 0.00 C ATOM 869 CE LYS A 55 6.827 4.419 -10.919 1.00 0.00 C ATOM 870 NZ LYS A 55 5.803 4.327 -11.975 1.00 0.00 N ATOM 0 H LYS A 55 7.298 4.597 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 55 9.740 4.601 -7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.173 6.065 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.481 5.688 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.099 3.268 -8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.876 3.581 -7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.756 3.065 -9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.486 4.758 -9.268 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.220 5.435 -10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.663 3.763 -11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.222 4.593 -12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.446 3.352 -12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.017 4.971 -11.754 1.00 0.00 H new ATOM 884 N ASN A 56 8.940 7.415 -5.800 1.00 0.00 N ATOM 885 CA ASN A 56 9.412 8.730 -5.399 1.00 0.00 C ATOM 886 C ASN A 56 10.710 8.590 -4.594 1.00 0.00 C ATOM 887 O ASN A 56 11.531 9.501 -4.624 1.00 0.00 O ATOM 888 CB ASN A 56 8.287 9.402 -4.591 1.00 0.00 C ATOM 889 CG ASN A 56 8.532 10.819 -4.071 1.00 0.00 C ATOM 890 OD1 ASN A 56 7.683 11.396 -3.406 1.00 0.00 O ATOM 891 ND2 ASN A 56 9.667 11.432 -4.348 1.00 0.00 N ATOM 0 H ASN A 56 8.097 7.118 -5.309 1.00 0.00 H new ATOM 0 HA ASN A 56 9.645 9.354 -6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.394 9.424 -5.215 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.063 8.765 -3.735 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.831 12.380 -4.008 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.381 10.958 -4.902 1.00 0.00 H new ATOM 898 N GLY A 57 10.909 7.472 -3.890 1.00 0.00 N ATOM 899 CA GLY A 57 12.082 7.240 -3.063 1.00 0.00 C ATOM 900 C GLY A 57 12.090 8.274 -1.943 1.00 0.00 C ATOM 901 O GLY A 57 13.028 9.060 -1.837 1.00 0.00 O ATOM 0 H GLY A 57 10.247 6.696 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.061 6.232 -2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.990 7.321 -3.661 1.00 0.00 H new ATOM 905 N ASP A 58 11.038 8.280 -1.114 1.00 0.00 N ATOM 906 CA ASP A 58 10.877 9.276 -0.053 1.00 0.00 C ATOM 907 C ASP A 58 10.856 8.662 1.345 1.00 0.00 C ATOM 908 O ASP A 58 10.782 9.397 2.325 1.00 0.00 O ATOM 909 CB ASP A 58 9.619 10.120 -0.310 1.00 0.00 C ATOM 910 CG ASP A 58 8.323 9.327 -0.172 1.00 0.00 C ATOM 911 OD1 ASP A 58 7.977 8.995 0.983 1.00 0.00 O ATOM 912 OD2 ASP A 58 7.699 9.071 -1.223 1.00 0.00 O ATOM 0 H ASP A 58 10.281 7.598 -1.161 1.00 0.00 H new ATOM 0 HA ASP A 58 11.754 9.923 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.602 10.956 0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.673 10.544 -1.313 1.00 0.00 H new ATOM 917 N GLY A 59 10.906 7.334 1.452 1.00 0.00 N ATOM 918 CA GLY A 59 10.866 6.651 2.735 1.00 0.00 C ATOM 919 C GLY A 59 9.490 6.031 2.951 1.00 0.00 C ATOM 920 O GLY A 59 9.365 5.077 3.720 1.00 0.00 O ATOM 0 H GLY A 59 10.975 6.707 0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.632 5.877 2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.088 7.354 3.538 1.00 0.00 H new ATOM 924 N GLU A 60 8.456 6.546 2.277 1.00 0.00 N ATOM 925 CA GLU A 60 7.118 6.018 2.345 1.00 0.00 C ATOM 926 C GLU A 60 6.559 5.869 0.924 1.00 0.00 C ATOM 927 O GLU A 60 7.156 6.322 -0.045 1.00 0.00 O ATOM 928 CB GLU A 60 6.267 6.995 3.158 1.00 0.00 C ATOM 929 CG GLU A 60 6.964 7.540 4.415 1.00 0.00 C ATOM 930 CD GLU A 60 5.999 8.334 5.286 1.00 0.00 C ATOM 931 OE1 GLU A 60 5.854 9.550 5.022 1.00 0.00 O ATOM 932 OE2 GLU A 60 5.411 7.704 6.191 1.00 0.00 O ATOM 0 H GLU A 60 8.543 7.355 1.662 1.00 0.00 H new ATOM 0 HA GLU A 60 7.109 5.038 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.986 7.833 2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.344 6.496 3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.379 6.712 4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.800 8.176 4.123 1.00 0.00 H new ATOM 939 N VAL A 61 5.390 5.252 0.826 1.00 0.00 N ATOM 940 CA VAL A 61 4.575 5.050 -0.365 1.00 0.00 C ATOM 941 C VAL A 61 3.426 6.051 -0.173 1.00 0.00 C ATOM 942 O VAL A 61 3.339 6.674 0.880 1.00 0.00 O ATOM 943 CB VAL A 61 4.074 3.583 -0.412 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.409 3.209 -1.741 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.228 2.606 -0.186 1.00 0.00 C ATOM 0 H VAL A 61 4.949 4.844 1.650 1.00 0.00 H new ATOM 0 HA VAL A 61 5.103 5.210 -1.305 1.00 0.00 H new ATOM 0 HB VAL A 61 3.331 3.511 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.082 2.170 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.547 3.854 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.124 3.337 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.852 1.584 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.980 2.745 -0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.676 2.792 0.790 1.00 0.00 H new ATOM 955 N SER A 62 2.520 6.229 -1.128 1.00 0.00 N ATOM 956 CA SER A 62 1.366 7.106 -0.966 1.00 0.00 C ATOM 957 C SER A 62 0.263 6.552 -1.849 1.00 0.00 C ATOM 958 O SER A 62 0.540 5.674 -2.667 1.00 0.00 O ATOM 959 CB SER A 62 1.697 8.556 -1.325 1.00 0.00 C ATOM 960 OG SER A 62 2.044 8.636 -2.690 1.00 0.00 O ATOM 0 H SER A 62 2.565 5.769 -2.037 1.00 0.00 H new ATOM 0 HA SER A 62 1.050 7.127 0.077 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.840 9.197 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.520 8.916 -0.708 1.00 0.00 H new ATOM 0 HG SER A 62 2.254 9.565 -2.920 1.00 0.00 H new ATOM 966 N PHE A 63 -0.969 7.045 -1.701 1.00 0.00 N ATOM 967 CA PHE A 63 -2.080 6.579 -2.523 1.00 0.00 C ATOM 968 C PHE A 63 -1.709 6.651 -4.008 1.00 0.00 C ATOM 969 O PHE A 63 -2.047 5.755 -4.778 1.00 0.00 O ATOM 970 CB PHE A 63 -3.381 7.277 -2.149 1.00 0.00 C ATOM 971 CG PHE A 63 -4.582 6.821 -2.958 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.844 7.367 -4.230 1.00 0.00 C ATOM 973 CD2 PHE A 63 -5.316 5.705 -2.519 1.00 0.00 C ATOM 974 CE1 PHE A 63 -5.864 6.821 -5.032 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.404 5.231 -3.273 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.713 5.829 -4.508 1.00 0.00 C ATOM 0 H PHE A 63 -1.218 7.764 -1.022 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.271 5.526 -2.319 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.582 7.106 -1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.255 8.352 -2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.263 8.203 -4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.043 5.210 -1.599 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.995 7.163 -6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.001 4.410 -2.905 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.597 5.528 -5.051 1.00 0.00 H new ATOM 986 N GLU A 64 -0.979 7.705 -4.388 1.00 0.00 N ATOM 987 CA GLU A 64 -0.476 7.934 -5.734 1.00 0.00 C ATOM 988 C GLU A 64 0.180 6.664 -6.286 1.00 0.00 C ATOM 989 O GLU A 64 -0.230 6.114 -7.303 1.00 0.00 O ATOM 990 CB GLU A 64 0.561 9.072 -5.675 1.00 0.00 C ATOM 991 CG GLU A 64 0.903 9.588 -7.079 1.00 0.00 C ATOM 992 CD GLU A 64 1.975 10.670 -7.016 1.00 0.00 C ATOM 993 OE1 GLU A 64 3.152 10.289 -6.836 1.00 0.00 O ATOM 994 OE2 GLU A 64 1.597 11.856 -7.138 1.00 0.00 O ATOM 0 H GLU A 64 -0.716 8.446 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.301 8.204 -6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.172 9.890 -5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.467 8.716 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.251 8.762 -7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.006 9.987 -7.553 1.00 0.00 H new ATOM 1001 N GLU A 65 1.219 6.213 -5.585 1.00 0.00 N ATOM 1002 CA GLU A 65 2.013 5.054 -5.951 1.00 0.00 C ATOM 1003 C GLU A 65 1.163 3.803 -5.828 1.00 0.00 C ATOM 1004 O GLU A 65 1.129 2.947 -6.708 1.00 0.00 O ATOM 1005 CB GLU A 65 3.154 4.882 -4.948 1.00 0.00 C ATOM 1006 CG GLU A 65 3.995 6.120 -4.656 1.00 0.00 C ATOM 1007 CD GLU A 65 5.219 6.242 -5.553 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.059 5.954 -6.757 1.00 0.00 O ATOM 1009 OE2 GLU A 65 6.281 6.640 -5.025 1.00 0.00 O ATOM 0 H GLU A 65 1.536 6.660 -4.724 1.00 0.00 H new ATOM 0 HA GLU A 65 2.383 5.196 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.731 4.527 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.816 4.098 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.375 7.008 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.317 6.095 -3.615 1.00 0.00 H new ATOM 1016 N PHE A 66 0.494 3.721 -4.677 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.360 2.615 -4.277 1.00 0.00 C ATOM 1018 C PHE A 66 -1.288 2.138 -5.397 1.00 0.00 C ATOM 1019 O PHE A 66 -1.623 0.961 -5.417 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.126 3.013 -3.020 1.00 0.00 C ATOM 1021 CG PHE A 66 -2.163 2.034 -2.523 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.783 0.753 -2.094 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.518 2.411 -2.488 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.765 -0.176 -1.711 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.487 1.511 -2.021 1.00 0.00 C ATOM 1026 CZ PHE A 66 -4.115 0.207 -1.651 1.00 0.00 C ATOM 0 H PHE A 66 0.538 4.457 -3.972 1.00 0.00 H new ATOM 0 HA PHE A 66 0.271 1.754 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.405 3.181 -2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.620 3.966 -3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.738 0.482 -2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.812 3.395 -2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.481 -1.188 -1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.519 1.820 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.864 -0.498 -1.322 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.699 2.988 -6.345 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.540 2.525 -7.450 1.00 0.00 C ATOM 1038 C GLN A 67 -1.901 1.342 -8.199 1.00 0.00 C ATOM 1039 O GLN A 67 -2.600 0.457 -8.694 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.012 3.681 -8.352 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.607 4.852 -7.571 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.648 4.337 -6.591 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.777 4.039 -6.952 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.283 4.216 -5.330 1.00 0.00 N ATOM 0 H GLN A 67 -1.468 3.981 -6.369 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.459 2.124 -7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.169 4.039 -8.944 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.757 3.305 -9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.820 5.382 -7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.062 5.566 -8.258 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.337 4.469 -5.046 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.947 3.869 -4.638 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.567 1.287 -8.250 1.00 0.00 N ATOM 1054 CA VAL A 68 0.149 0.171 -8.856 1.00 0.00 C ATOM 1055 C VAL A 68 -0.147 -1.106 -8.056 1.00 0.00 C ATOM 1056 O VAL A 68 -0.263 -2.191 -8.620 1.00 0.00 O ATOM 1057 CB VAL A 68 1.656 0.483 -8.924 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.449 -0.691 -9.512 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.917 1.726 -9.787 1.00 0.00 C ATOM 0 H VAL A 68 0.041 2.014 -7.873 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.189 0.014 -9.880 1.00 0.00 H new ATOM 0 HB VAL A 68 1.987 0.663 -7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.508 -0.435 -9.545 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.308 -1.574 -8.888 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.095 -0.900 -10.522 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.988 1.927 -9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.549 1.551 -10.798 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.400 2.583 -9.356 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.295 -0.979 -6.736 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.620 -2.085 -5.853 1.00 0.00 C ATOM 1071 C LEU A 69 -2.090 -2.430 -6.087 1.00 0.00 C ATOM 1072 O LEU A 69 -2.414 -3.595 -6.280 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.327 -1.697 -4.396 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.220 -2.859 -3.398 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -1.566 -3.543 -3.156 1.00 0.00 C ATOM 1076 CD2 LEU A 69 0.832 -3.898 -3.807 1.00 0.00 C ATOM 0 H LEU A 69 -0.189 -0.089 -6.250 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.010 -2.964 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.607 -1.136 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.113 -1.023 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 69 0.106 -2.405 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.437 -4.358 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.275 -2.819 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.946 -3.941 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.863 -4.696 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.571 -4.317 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.810 -3.421 -3.868 1.00 0.00 H new ATOM 1088 N VAL A 70 -2.976 -1.425 -6.091 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.405 -1.603 -6.355 1.00 0.00 C ATOM 1090 C VAL A 70 -4.602 -2.520 -7.565 1.00 0.00 C ATOM 1091 O VAL A 70 -5.345 -3.493 -7.483 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.127 -0.255 -6.539 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.571 -0.452 -7.017 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.127 0.545 -5.230 1.00 0.00 C ATOM 0 H VAL A 70 -2.715 -0.456 -5.909 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.857 -2.078 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.582 0.301 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.051 0.520 -7.136 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.570 -0.976 -7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.121 -1.040 -6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.642 1.493 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.639 -0.025 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.100 0.736 -4.920 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.926 -2.231 -8.681 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.997 -3.058 -9.884 1.00 0.00 C ATOM 1106 C LYS A 71 -3.841 -4.556 -9.559 1.00 0.00 C ATOM 1107 O LYS A 71 -4.501 -5.402 -10.158 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.923 -2.582 -10.871 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.968 -3.344 -12.200 1.00 0.00 C ATOM 1110 CD LYS A 71 -1.913 -2.785 -13.161 1.00 0.00 C ATOM 1111 CE LYS A 71 -1.927 -3.563 -14.481 1.00 0.00 C ATOM 1112 NZ LYS A 71 -0.910 -3.050 -15.416 1.00 0.00 N ATOM 0 H LYS A 71 -3.316 -1.419 -8.773 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.982 -2.947 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.056 -1.517 -11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.939 -2.704 -10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.788 -4.405 -12.027 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.959 -3.257 -12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.108 -1.730 -13.351 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.925 -2.849 -12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.744 -4.619 -14.285 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.914 -3.490 -14.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.944 -3.597 -16.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.100 -2.048 -15.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.033 -3.143 -14.988 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.965 -4.883 -8.609 1.00 0.00 N ATOM 1127 CA LYS A 72 -2.635 -6.194 -8.133 1.00 0.00 C ATOM 1128 C LYS A 72 -3.473 -6.683 -6.946 1.00 0.00 C ATOM 1129 O LYS A 72 -3.282 -7.833 -6.574 1.00 0.00 O ATOM 1130 CB LYS A 72 -1.154 -6.219 -7.767 1.00 0.00 C ATOM 1131 CG LYS A 72 -0.222 -6.196 -8.981 1.00 0.00 C ATOM 1132 CD LYS A 72 1.132 -6.776 -8.556 1.00 0.00 C ATOM 1133 CE LYS A 72 2.112 -6.774 -9.733 1.00 0.00 C ATOM 1134 NZ LYS A 72 3.418 -7.334 -9.344 1.00 0.00 N ATOM 0 H LYS A 72 -2.431 -4.163 -8.121 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.866 -6.884 -8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.931 -5.362 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.949 -7.113 -7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.647 -6.780 -9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.101 -5.177 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.542 -6.191 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.999 -7.793 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.696 -7.355 -10.556 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.245 -5.755 -10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.060 -7.319 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.825 -6.765 -8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.293 -8.314 -9.020 1.00 0.00 H new ATOM 1148 N ILE A 73 -4.348 -5.914 -6.284 1.00 0.00 N ATOM 1149 CA ILE A 73 -5.001 -6.463 -5.085 1.00 0.00 C ATOM 1150 C ILE A 73 -5.786 -7.751 -5.346 1.00 0.00 C ATOM 1151 O ILE A 73 -5.914 -8.602 -4.468 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.763 -5.453 -4.239 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -6.875 -4.635 -4.873 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.775 -4.482 -3.577 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.904 -5.380 -5.722 1.00 0.00 C ATOM 0 H ILE A 73 -4.611 -4.962 -6.538 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.161 -6.751 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.292 -6.104 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.408 -4.118 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.415 -3.869 -5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.324 -3.760 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.087 -5.040 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.211 -3.956 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.636 -4.672 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.401 -5.874 -6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.410 -6.126 -5.109 1.00 0.00 H new ATOM 1167 N SER A 74 -6.280 -7.897 -6.569 1.00 0.00 N ATOM 1168 CA SER A 74 -7.006 -9.055 -7.062 1.00 0.00 C ATOM 1169 C SER A 74 -6.074 -10.128 -7.656 1.00 0.00 C ATOM 1170 O SER A 74 -6.556 -11.042 -8.319 1.00 0.00 O ATOM 1171 CB SER A 74 -8.009 -8.538 -8.100 1.00 0.00 C ATOM 1172 OG SER A 74 -7.409 -7.520 -8.889 1.00 0.00 O ATOM 0 H SER A 74 -6.178 -7.172 -7.279 1.00 0.00 H new ATOM 0 HA SER A 74 -7.519 -9.553 -6.239 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.339 -9.357 -8.738 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.895 -8.147 -7.599 1.00 0.00 H new ATOM 0 HG SER A 74 -8.055 -7.196 -9.551 1.00 0.00 H new ATOM 1178 N GLN A 75 -4.753 -10.049 -7.451 1.00 0.00 N ATOM 1179 CA GLN A 75 -3.800 -11.011 -8.002 1.00 0.00 C ATOM 1180 C GLN A 75 -4.171 -12.456 -7.649 1.00 0.00 C ATOM 1181 O GLN A 75 -3.324 -13.347 -7.694 1.00 0.00 O ATOM 1182 CB GLN A 75 -2.347 -10.639 -7.630 1.00 0.00 C ATOM 1183 CG GLN A 75 -1.853 -11.008 -6.216 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.920 -10.954 -5.121 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -3.352 -11.972 -4.598 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -3.376 -9.774 -4.749 1.00 0.00 N ATOM 0 H GLN A 75 -4.317 -9.312 -6.896 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.859 -10.955 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.683 -11.115 -8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.234 -9.562 -7.755 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.435 -12.014 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.041 -10.333 -5.944 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.014 -8.926 -5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.090 -9.709 -4.024 1.00 0.00 H new TER 1195 GLN A 75