USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 486 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 130:sc= -2.13 USER MOD Single : A 13 MET CE :methyl -162:sc= -0.0352 (180deg=-0.503) USER MOD Single : A 17 ASN : amide:sc= -2.99! C(o=-3!,f=-4.7!) USER MOD Single : A 18 SER OG : rot -156:sc= 0.103 USER MOD Single : A 22 SER OG : rot 180:sc= 0.00536 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -5.87! C(o=-5.9!,f=-5.5!) USER MOD Single : A 31 LYS NZ :NH3+ 156:sc= -0.0881 (180deg=-0.611) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -172:sc= -1.02 (180deg=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -120:sc= -0.104 (180deg=-0.735) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N ARG A 7 -0.494 -1.881 -10.362 1.00 0.00 N ATOM 83 CA ARG A 7 -0.497 -1.338 -8.976 1.00 0.00 C ATOM 84 C ARG A 7 0.493 -2.122 -8.100 1.00 0.00 C ATOM 85 O ARG A 7 0.651 -3.315 -8.261 1.00 0.00 O ATOM 86 CB ARG A 7 -1.904 -1.456 -8.385 1.00 0.00 C ATOM 87 CG ARG A 7 -2.307 -2.929 -8.305 1.00 0.00 C ATOM 88 CD ARG A 7 -3.721 -3.103 -8.863 1.00 0.00 C ATOM 89 NE ARG A 7 -3.699 -4.103 -9.966 1.00 0.00 N ATOM 90 CZ ARG A 7 -4.198 -3.799 -11.133 1.00 0.00 C ATOM 91 NH1 ARG A 7 -5.254 -3.035 -11.212 1.00 0.00 N ATOM 92 NH2 ARG A 7 -3.644 -4.258 -12.222 1.00 0.00 N ATOM 0 HA ARG A 7 -0.197 -0.291 -9.003 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.931 -1.007 -7.392 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.615 -0.907 -9.002 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.604 -3.540 -8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.268 -3.272 -7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.397 -3.431 -8.074 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.099 -2.149 -9.230 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.294 -5.026 -9.809 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.689 -2.676 -10.362 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.644 -2.797 -12.124 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.820 -4.856 -12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.036 -4.019 -13.133 1.00 0.00 H new ATOM 106 N PRO A 8 1.123 -1.416 -7.192 1.00 0.00 N ATOM 107 CA PRO A 8 2.103 -2.001 -6.254 1.00 0.00 C ATOM 108 C PRO A 8 1.400 -2.843 -5.182 1.00 0.00 C ATOM 109 O PRO A 8 0.303 -2.538 -4.759 1.00 0.00 O ATOM 110 CB PRO A 8 2.772 -0.771 -5.624 1.00 0.00 C ATOM 111 CG PRO A 8 1.774 0.398 -5.802 1.00 0.00 C ATOM 112 CD PRO A 8 0.913 0.035 -7.020 1.00 0.00 C ATOM 0 HA PRO A 8 2.811 -2.670 -6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.988 -0.942 -4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.721 -0.551 -6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.158 0.524 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.300 1.339 -5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.138 0.268 -6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.222 0.590 -7.906 1.00 0.00 H new ATOM 120 N LEU A 9 2.030 -3.900 -4.738 1.00 0.00 N ATOM 121 CA LEU A 9 1.408 -4.757 -3.689 1.00 0.00 C ATOM 122 C LEU A 9 2.337 -5.925 -3.350 1.00 0.00 C ATOM 123 O LEU A 9 3.422 -6.062 -3.879 1.00 0.00 O ATOM 124 CB LEU A 9 0.028 -5.246 -4.169 1.00 0.00 C ATOM 125 CG LEU A 9 0.105 -6.677 -4.693 1.00 0.00 C ATOM 126 CD1 LEU A 9 -1.239 -7.078 -5.298 1.00 0.00 C ATOM 127 CD2 LEU A 9 1.188 -6.744 -5.758 1.00 0.00 C ATOM 0 H LEU A 9 2.949 -4.206 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 9 1.260 -4.177 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.686 -5.194 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.342 -4.587 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 9 0.341 -7.361 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.180 -8.100 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.015 -7.015 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.483 -6.405 -6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.257 -7.761 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.940 -6.063 -6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.145 -6.456 -5.323 1.00 0.00 H new ATOM 139 N SER A 10 1.907 -6.745 -2.446 1.00 0.00 N ATOM 140 CA SER A 10 2.733 -7.911 -2.004 1.00 0.00 C ATOM 141 C SER A 10 3.293 -8.679 -3.208 1.00 0.00 C ATOM 142 O SER A 10 2.622 -8.887 -4.203 1.00 0.00 O ATOM 143 CB SER A 10 1.873 -8.852 -1.161 1.00 0.00 C ATOM 144 OG SER A 10 2.291 -8.783 0.196 1.00 0.00 O ATOM 0 H SER A 10 1.003 -6.663 -1.981 1.00 0.00 H new ATOM 0 HA SER A 10 3.569 -7.535 -1.414 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.822 -8.575 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.963 -9.874 -1.530 1.00 0.00 H new ATOM 0 HG SER A 10 1.740 -9.384 0.739 1.00 0.00 H new ATOM 150 N ALA A 11 4.522 -9.116 -3.113 1.00 0.00 N ATOM 151 CA ALA A 11 5.135 -9.884 -4.234 1.00 0.00 C ATOM 152 C ALA A 11 4.298 -11.138 -4.491 1.00 0.00 C ATOM 153 O ALA A 11 4.015 -11.492 -5.620 1.00 0.00 O ATOM 154 CB ALA A 11 6.561 -10.291 -3.856 1.00 0.00 C ATOM 0 H ALA A 11 5.128 -8.973 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 11 5.164 -9.267 -5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.009 -10.853 -4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.155 -9.398 -3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.537 -10.913 -2.961 1.00 0.00 H new ATOM 160 N TYR A 12 3.888 -11.806 -3.446 1.00 0.00 N ATOM 161 CA TYR A 12 3.060 -13.023 -3.613 1.00 0.00 C ATOM 162 C TYR A 12 1.870 -12.694 -4.514 1.00 0.00 C ATOM 163 O TYR A 12 1.368 -13.536 -5.231 1.00 0.00 O ATOM 164 CB TYR A 12 2.568 -13.451 -2.236 1.00 0.00 C ATOM 165 CG TYR A 12 1.502 -14.505 -2.385 1.00 0.00 C ATOM 166 CD1 TYR A 12 1.832 -15.753 -2.921 1.00 0.00 C ATOM 167 CD2 TYR A 12 0.186 -14.237 -1.993 1.00 0.00 C ATOM 168 CE1 TYR A 12 0.852 -16.735 -3.066 1.00 0.00 C ATOM 169 CE2 TYR A 12 -0.799 -15.222 -2.136 1.00 0.00 C ATOM 170 CZ TYR A 12 -0.466 -16.471 -2.674 1.00 0.00 C ATOM 171 OH TYR A 12 -1.437 -17.441 -2.818 1.00 0.00 O ATOM 0 H TYR A 12 4.096 -11.555 -2.480 1.00 0.00 H new ATOM 0 HA TYR A 12 3.638 -13.828 -4.068 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.398 -13.840 -1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.170 -12.591 -1.697 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.848 -15.958 -3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.070 -13.272 -1.581 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.110 -17.698 -3.480 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.815 -15.018 -1.831 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.926 -17.542 -1.975 1.00 0.00 H new ATOM 181 N MET A 13 1.418 -11.469 -4.481 1.00 0.00 N ATOM 182 CA MET A 13 0.268 -11.072 -5.329 1.00 0.00 C ATOM 183 C MET A 13 0.721 -10.943 -6.786 1.00 0.00 C ATOM 184 O MET A 13 0.028 -11.358 -7.691 1.00 0.00 O ATOM 185 CB MET A 13 -0.272 -9.729 -4.843 1.00 0.00 C ATOM 186 CG MET A 13 -0.424 -9.755 -3.320 1.00 0.00 C ATOM 187 SD MET A 13 -1.295 -11.260 -2.814 1.00 0.00 S ATOM 188 CE MET A 13 -2.908 -10.838 -3.514 1.00 0.00 C ATOM 0 H MET A 13 1.802 -10.725 -3.898 1.00 0.00 H new ATOM 0 HA MET A 13 -0.513 -11.829 -5.262 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.404 -8.926 -5.137 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.235 -9.522 -5.311 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.557 -9.716 -2.847 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.975 -8.876 -2.986 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.677 -11.462 -3.058 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.127 -9.789 -3.316 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.894 -11.009 -4.590 1.00 0.00 H new ATOM 198 N LEU A 14 1.875 -10.374 -7.028 1.00 0.00 N ATOM 199 CA LEU A 14 2.339 -10.241 -8.446 1.00 0.00 C ATOM 200 C LEU A 14 2.274 -11.610 -9.104 1.00 0.00 C ATOM 201 O LEU A 14 1.629 -11.803 -10.116 1.00 0.00 O ATOM 202 CB LEU A 14 3.787 -9.745 -8.520 1.00 0.00 C ATOM 203 CG LEU A 14 4.030 -8.656 -7.476 1.00 0.00 C ATOM 204 CD1 LEU A 14 5.450 -8.109 -7.630 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.029 -7.523 -7.695 1.00 0.00 C ATOM 0 H LEU A 14 2.508 -10.001 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 14 1.697 -9.519 -8.951 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.472 -10.576 -8.354 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.994 -9.355 -9.517 1.00 0.00 H new ATOM 0 HG LEU A 14 3.907 -9.073 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.623 -7.332 -6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.168 -8.916 -7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.572 -7.688 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.196 -6.742 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.161 -7.109 -8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.015 -7.909 -7.593 1.00 0.00 H new ATOM 217 N TRP A 15 2.942 -12.565 -8.527 1.00 0.00 N ATOM 218 CA TRP A 15 2.931 -13.933 -9.100 1.00 0.00 C ATOM 219 C TRP A 15 1.490 -14.446 -9.117 1.00 0.00 C ATOM 220 O TRP A 15 1.063 -15.111 -10.039 1.00 0.00 O ATOM 221 CB TRP A 15 3.800 -14.840 -8.231 1.00 0.00 C ATOM 222 CG TRP A 15 3.615 -16.259 -8.645 1.00 0.00 C ATOM 223 CD1 TRP A 15 4.277 -16.868 -9.652 1.00 0.00 C ATOM 224 CD2 TRP A 15 2.723 -17.253 -8.076 1.00 0.00 C ATOM 225 NE1 TRP A 15 3.847 -18.180 -9.738 1.00 0.00 N ATOM 226 CE2 TRP A 15 2.887 -18.465 -8.786 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.797 -17.218 -7.023 1.00 0.00 C ATOM 228 CZ2 TRP A 15 2.153 -19.605 -8.459 1.00 0.00 C ATOM 229 CZ3 TRP A 15 1.056 -18.361 -6.690 1.00 0.00 C ATOM 230 CH2 TRP A 15 1.233 -19.553 -7.406 1.00 0.00 C ATOM 0 H TRP A 15 3.498 -12.455 -7.679 1.00 0.00 H new ATOM 0 HA TRP A 15 3.325 -13.926 -10.116 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.848 -14.557 -8.327 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.532 -14.719 -7.181 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.020 -16.407 -10.286 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.196 -18.854 -10.420 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.654 -16.305 -6.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.294 -20.521 -9.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.345 -18.323 -5.878 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.660 -20.430 -7.145 1.00 0.00 H new ATOM 241 N LEU A 16 0.733 -14.127 -8.102 1.00 0.00 N ATOM 242 CA LEU A 16 -0.687 -14.575 -8.053 1.00 0.00 C ATOM 243 C LEU A 16 -1.426 -14.041 -9.281 1.00 0.00 C ATOM 244 O LEU A 16 -2.379 -14.631 -9.752 1.00 0.00 O ATOM 245 CB LEU A 16 -1.345 -14.020 -6.786 1.00 0.00 C ATOM 246 CG LEU A 16 -2.083 -15.138 -6.049 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.301 -15.572 -6.867 1.00 0.00 C ATOM 248 CD2 LEU A 16 -1.145 -16.333 -5.860 1.00 0.00 C ATOM 0 H LEU A 16 1.039 -13.573 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.730 -15.664 -8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.588 -13.582 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.042 -13.223 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.410 -14.775 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.827 -16.369 -6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.971 -14.722 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.974 -15.934 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.672 -17.130 -5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.817 -16.696 -6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.277 -16.026 -5.277 1.00 0.00 H new ATOM 260 N ASN A 17 -0.992 -12.927 -9.803 1.00 0.00 N ATOM 261 CA ASN A 17 -1.658 -12.349 -10.995 1.00 0.00 C ATOM 262 C ASN A 17 -1.049 -12.951 -12.260 1.00 0.00 C ATOM 263 O ASN A 17 -1.654 -12.956 -13.314 1.00 0.00 O ATOM 264 CB ASN A 17 -1.459 -10.842 -10.992 1.00 0.00 C ATOM 265 CG ASN A 17 -1.560 -10.313 -9.558 1.00 0.00 C ATOM 266 OD1 ASN A 17 -2.217 -10.905 -8.724 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.933 -9.213 -9.235 1.00 0.00 N ATOM 0 H ASN A 17 -0.199 -12.392 -9.450 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.724 -12.575 -10.971 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.486 -10.593 -11.415 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.211 -10.365 -11.620 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.995 -8.851 -8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.382 -8.716 -9.935 1.00 0.00 H new ATOM 274 N SER A 18 0.147 -13.467 -12.163 1.00 0.00 N ATOM 275 CA SER A 18 0.795 -14.077 -13.356 1.00 0.00 C ATOM 276 C SER A 18 0.343 -15.534 -13.489 1.00 0.00 C ATOM 277 O SER A 18 0.636 -16.200 -14.463 1.00 0.00 O ATOM 278 CB SER A 18 2.311 -14.017 -13.201 1.00 0.00 C ATOM 279 OG SER A 18 2.805 -15.299 -12.836 1.00 0.00 O ATOM 0 H SER A 18 0.702 -13.492 -11.308 1.00 0.00 H new ATOM 0 HA SER A 18 0.506 -13.526 -14.251 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.769 -13.692 -14.135 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.580 -13.283 -12.442 1.00 0.00 H new ATOM 0 HG SER A 18 3.662 -15.199 -12.372 1.00 0.00 H new ATOM 285 N ALA A 19 -0.375 -16.032 -12.518 1.00 0.00 N ATOM 286 CA ALA A 19 -0.850 -17.442 -12.587 1.00 0.00 C ATOM 287 C ALA A 19 -2.370 -17.477 -12.423 1.00 0.00 C ATOM 288 O ALA A 19 -2.984 -18.521 -12.488 1.00 0.00 O ATOM 289 CB ALA A 19 -0.206 -18.258 -11.463 1.00 0.00 C ATOM 0 H ALA A 19 -0.653 -15.522 -11.680 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.573 -17.867 -13.552 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.555 -19.289 -11.516 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.878 -18.236 -11.573 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.482 -17.830 -10.499 1.00 0.00 H new ATOM 295 N ARG A 20 -2.983 -16.345 -12.207 1.00 0.00 N ATOM 296 CA ARG A 20 -4.463 -16.323 -12.034 1.00 0.00 C ATOM 297 C ARG A 20 -5.139 -16.778 -13.327 1.00 0.00 C ATOM 298 O ARG A 20 -6.312 -17.088 -13.347 1.00 0.00 O ATOM 299 CB ARG A 20 -4.917 -14.903 -11.689 1.00 0.00 C ATOM 300 CG ARG A 20 -6.080 -14.964 -10.697 1.00 0.00 C ATOM 301 CD ARG A 20 -6.800 -13.614 -10.669 1.00 0.00 C ATOM 302 NE ARG A 20 -6.535 -12.936 -9.368 1.00 0.00 N ATOM 303 CZ ARG A 20 -7.455 -12.921 -8.442 1.00 0.00 C ATOM 304 NH1 ARG A 20 -8.584 -12.300 -8.652 1.00 0.00 N ATOM 305 NH2 ARG A 20 -7.246 -13.526 -7.304 1.00 0.00 N ATOM 0 H ARG A 20 -2.524 -15.436 -12.143 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.742 -16.999 -11.225 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.089 -14.340 -11.260 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.224 -14.379 -12.594 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.775 -15.753 -10.984 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.710 -15.211 -9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.456 -12.989 -11.493 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.872 -13.759 -10.804 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.636 -12.484 -9.202 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.748 -11.826 -9.540 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.302 -12.289 -7.928 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.364 -14.010 -7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.965 -13.514 -6.581 1.00 0.00 H new ATOM 319 N GLU A 21 -4.409 -16.829 -14.405 1.00 0.00 N ATOM 320 CA GLU A 21 -5.020 -17.276 -15.685 1.00 0.00 C ATOM 321 C GLU A 21 -5.044 -18.800 -15.712 1.00 0.00 C ATOM 322 O GLU A 21 -6.089 -19.418 -15.701 1.00 0.00 O ATOM 323 CB GLU A 21 -4.197 -16.752 -16.863 1.00 0.00 C ATOM 324 CG GLU A 21 -4.922 -17.066 -18.173 1.00 0.00 C ATOM 325 CD GLU A 21 -6.386 -16.633 -18.063 1.00 0.00 C ATOM 326 OE1 GLU A 21 -6.634 -15.598 -17.467 1.00 0.00 O ATOM 327 OE2 GLU A 21 -7.233 -17.344 -18.577 1.00 0.00 O ATOM 0 H GLU A 21 -3.421 -16.582 -14.455 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.036 -16.888 -15.764 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.048 -15.677 -16.766 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.209 -17.212 -16.863 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.440 -16.547 -19.001 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.862 -18.133 -18.387 1.00 0.00 H new ATOM 334 N SER A 22 -3.897 -19.411 -15.736 1.00 0.00 N ATOM 335 CA SER A 22 -3.849 -20.897 -15.747 1.00 0.00 C ATOM 336 C SER A 22 -4.446 -21.420 -14.443 1.00 0.00 C ATOM 337 O SER A 22 -4.759 -22.587 -14.314 1.00 0.00 O ATOM 338 CB SER A 22 -2.398 -21.364 -15.865 1.00 0.00 C ATOM 339 OG SER A 22 -1.719 -20.559 -16.821 1.00 0.00 O ATOM 0 H SER A 22 -2.989 -18.946 -15.749 1.00 0.00 H new ATOM 0 HA SER A 22 -4.418 -21.277 -16.596 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.902 -21.294 -14.897 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.365 -22.411 -16.166 1.00 0.00 H new ATOM 0 HG SER A 22 -0.788 -20.856 -16.897 1.00 0.00 H new ATOM 345 N ILE A 23 -4.617 -20.560 -13.475 1.00 0.00 N ATOM 346 CA ILE A 23 -5.203 -21.001 -12.184 1.00 0.00 C ATOM 347 C ILE A 23 -6.725 -20.971 -12.301 1.00 0.00 C ATOM 348 O ILE A 23 -7.406 -21.911 -11.942 1.00 0.00 O ATOM 349 CB ILE A 23 -4.749 -20.051 -11.066 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.352 -20.458 -10.593 1.00 0.00 C ATOM 351 CG2 ILE A 23 -5.722 -20.118 -9.884 1.00 0.00 C ATOM 352 CD1 ILE A 23 -2.798 -19.388 -9.651 1.00 0.00 C ATOM 0 H ILE A 23 -4.375 -19.571 -13.526 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.872 -22.012 -11.948 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.730 -19.032 -11.453 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.396 -21.420 -10.082 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.689 -20.582 -11.449 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.388 -19.440 -9.099 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.718 -19.826 -10.216 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.753 -21.136 -9.495 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.803 -19.679 -9.315 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.739 -18.435 -10.177 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.457 -19.286 -8.789 1.00 0.00 H new ATOM 364 N LYS A 24 -7.263 -19.890 -12.787 1.00 0.00 N ATOM 365 CA LYS A 24 -8.731 -19.787 -12.911 1.00 0.00 C ATOM 366 C LYS A 24 -9.259 -20.851 -13.883 1.00 0.00 C ATOM 367 O LYS A 24 -10.415 -21.222 -13.839 1.00 0.00 O ATOM 368 CB LYS A 24 -9.064 -18.383 -13.406 1.00 0.00 C ATOM 369 CG LYS A 24 -8.894 -18.320 -14.918 1.00 0.00 C ATOM 370 CD LYS A 24 -10.268 -18.266 -15.591 1.00 0.00 C ATOM 371 CE LYS A 24 -10.552 -16.839 -16.061 1.00 0.00 C ATOM 372 NZ LYS A 24 -11.174 -16.877 -17.414 1.00 0.00 N ATOM 0 H LYS A 24 -6.742 -19.072 -13.104 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.208 -19.961 -11.946 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.087 -18.124 -13.134 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.412 -17.653 -12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.310 -17.441 -15.191 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.341 -19.192 -15.268 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.297 -18.951 -16.438 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.039 -18.590 -14.893 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.217 -16.338 -15.357 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.627 -16.263 -16.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.368 -15.907 -17.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.524 -17.339 -18.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.065 -17.412 -17.372 1.00 0.00 H new ATOM 386 N ARG A 25 -8.428 -21.339 -14.767 1.00 0.00 N ATOM 387 CA ARG A 25 -8.899 -22.367 -15.738 1.00 0.00 C ATOM 388 C ARG A 25 -8.927 -23.742 -15.066 1.00 0.00 C ATOM 389 O ARG A 25 -9.978 -24.296 -14.811 1.00 0.00 O ATOM 390 CB ARG A 25 -7.951 -22.403 -16.940 1.00 0.00 C ATOM 391 CG ARG A 25 -8.095 -21.104 -17.740 1.00 0.00 C ATOM 392 CD ARG A 25 -7.389 -21.222 -19.094 1.00 0.00 C ATOM 393 NE ARG A 25 -6.604 -22.490 -19.168 1.00 0.00 N ATOM 394 CZ ARG A 25 -6.541 -23.155 -20.289 1.00 0.00 C ATOM 395 NH1 ARG A 25 -6.140 -22.561 -21.379 1.00 0.00 N ATOM 396 NH2 ARG A 25 -6.881 -24.415 -20.320 1.00 0.00 N ATOM 0 H ARG A 25 -7.448 -21.071 -14.857 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.905 -22.112 -16.073 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.922 -22.523 -16.602 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.181 -23.260 -17.573 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.151 -20.880 -17.893 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.672 -20.274 -17.175 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.125 -21.196 -19.898 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.727 -20.369 -19.241 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.117 -22.837 -18.342 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.875 -21.576 -21.355 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.091 -23.081 -22.255 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.196 -24.879 -19.468 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.832 -24.935 -21.196 1.00 0.00 H new ATOM 410 N GLU A 26 -7.783 -24.299 -14.780 1.00 0.00 N ATOM 411 CA GLU A 26 -7.746 -25.640 -14.128 1.00 0.00 C ATOM 412 C GLU A 26 -8.687 -25.655 -12.922 1.00 0.00 C ATOM 413 O GLU A 26 -9.138 -26.696 -12.487 1.00 0.00 O ATOM 414 CB GLU A 26 -6.319 -25.940 -13.665 1.00 0.00 C ATOM 415 CG GLU A 26 -5.962 -25.026 -12.491 1.00 0.00 C ATOM 416 CD GLU A 26 -5.982 -25.833 -11.191 1.00 0.00 C ATOM 417 OE1 GLU A 26 -6.666 -26.842 -11.154 1.00 0.00 O ATOM 418 OE2 GLU A 26 -5.314 -25.429 -10.254 1.00 0.00 O ATOM 0 H GLU A 26 -6.871 -23.884 -14.969 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.066 -26.398 -14.843 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.234 -26.985 -13.366 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.619 -25.786 -14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.976 -24.588 -12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.671 -24.201 -12.430 1.00 0.00 H new ATOM 425 N ASN A 27 -8.987 -24.510 -12.374 1.00 0.00 N ATOM 426 CA ASN A 27 -9.897 -24.463 -11.195 1.00 0.00 C ATOM 427 C ASN A 27 -11.341 -24.286 -11.666 1.00 0.00 C ATOM 428 O ASN A 27 -11.587 -23.726 -12.715 1.00 0.00 O ATOM 429 CB ASN A 27 -9.504 -23.292 -10.293 1.00 0.00 C ATOM 430 CG ASN A 27 -8.141 -23.575 -9.660 1.00 0.00 C ATOM 431 OD1 ASN A 27 -7.823 -24.708 -9.355 1.00 0.00 O ATOM 432 ND2 ASN A 27 -7.316 -22.587 -9.447 1.00 0.00 N ATOM 0 H ASN A 27 -8.641 -23.605 -12.692 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.813 -25.395 -10.636 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.464 -22.370 -10.872 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.255 -23.148 -9.517 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.405 -22.765 -9.025 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.582 -21.636 -9.703 1.00 0.00 H new ATOM 439 N PRO A 28 -12.253 -24.773 -10.866 1.00 0.00 N ATOM 440 CA PRO A 28 -13.691 -24.694 -11.156 1.00 0.00 C ATOM 441 C PRO A 28 -14.222 -23.292 -10.873 1.00 0.00 C ATOM 442 O PRO A 28 -14.937 -23.077 -9.916 1.00 0.00 O ATOM 443 CB PRO A 28 -14.312 -25.703 -10.207 1.00 0.00 C ATOM 444 CG PRO A 28 -13.305 -25.897 -9.067 1.00 0.00 C ATOM 445 CD PRO A 28 -11.935 -25.447 -9.596 1.00 0.00 C ATOM 0 HA PRO A 28 -13.921 -24.902 -12.201 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.267 -25.341 -9.825 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -14.509 -26.646 -10.717 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.593 -25.311 -8.194 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.274 -26.941 -8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.439 -24.772 -8.898 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.267 -26.295 -9.749 1.00 0.00 H new ATOM 453 N GLY A 29 -13.870 -22.330 -11.684 1.00 0.00 N ATOM 454 CA GLY A 29 -14.352 -20.945 -11.428 1.00 0.00 C ATOM 455 C GLY A 29 -14.164 -20.647 -9.943 1.00 0.00 C ATOM 456 O GLY A 29 -14.883 -19.864 -9.354 1.00 0.00 O ATOM 0 H GLY A 29 -13.275 -22.443 -12.505 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.795 -20.230 -12.034 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.402 -20.849 -11.706 1.00 0.00 H new ATOM 460 N ILE A 30 -13.200 -21.289 -9.337 1.00 0.00 N ATOM 461 CA ILE A 30 -12.938 -21.087 -7.892 1.00 0.00 C ATOM 462 C ILE A 30 -13.124 -19.613 -7.522 1.00 0.00 C ATOM 463 O ILE A 30 -12.892 -18.728 -8.320 1.00 0.00 O ATOM 464 CB ILE A 30 -11.512 -21.521 -7.607 1.00 0.00 C ATOM 465 CG1 ILE A 30 -11.199 -21.361 -6.117 1.00 0.00 C ATOM 466 CG2 ILE A 30 -10.586 -20.651 -8.426 1.00 0.00 C ATOM 467 CD1 ILE A 30 -9.854 -22.022 -5.809 1.00 0.00 C ATOM 0 H ILE A 30 -12.576 -21.954 -9.794 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.637 -21.676 -7.298 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.379 -22.570 -7.872 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.167 -20.304 -5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.987 -21.816 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.553 -20.943 -8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.812 -20.775 -9.485 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.725 -19.607 -8.145 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.628 -21.910 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.904 -23.082 -6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.071 -21.546 -6.399 1.00 0.00 H new ATOM 479 N LYS A 31 -13.549 -19.343 -6.319 1.00 0.00 N ATOM 480 CA LYS A 31 -13.758 -17.928 -5.900 1.00 0.00 C ATOM 481 C LYS A 31 -12.404 -17.231 -5.747 1.00 0.00 C ATOM 482 O LYS A 31 -11.363 -17.852 -5.815 1.00 0.00 O ATOM 483 CB LYS A 31 -14.502 -17.898 -4.567 1.00 0.00 C ATOM 484 CG LYS A 31 -15.983 -17.604 -4.815 1.00 0.00 C ATOM 485 CD LYS A 31 -16.782 -18.908 -4.748 1.00 0.00 C ATOM 486 CE LYS A 31 -16.795 -19.424 -3.308 1.00 0.00 C ATOM 487 NZ LYS A 31 -17.564 -18.479 -2.450 1.00 0.00 N ATOM 0 H LYS A 31 -13.761 -20.042 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.346 -17.409 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.391 -18.854 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.073 -17.136 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.354 -16.899 -4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.113 -17.135 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.802 -18.741 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.339 -19.653 -5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.245 -20.416 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.775 -19.522 -2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.923 -18.983 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.943 -17.702 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.364 -18.092 -2.990 1.00 0.00 H new ATOM 501 N VAL A 32 -12.410 -15.942 -5.543 1.00 0.00 N ATOM 502 CA VAL A 32 -11.138 -15.203 -5.388 1.00 0.00 C ATOM 503 C VAL A 32 -10.578 -15.437 -3.979 1.00 0.00 C ATOM 504 O VAL A 32 -9.400 -15.271 -3.735 1.00 0.00 O ATOM 505 CB VAL A 32 -11.391 -13.712 -5.629 1.00 0.00 C ATOM 506 CG1 VAL A 32 -12.757 -13.342 -5.087 1.00 0.00 C ATOM 507 CG2 VAL A 32 -10.338 -12.886 -4.913 1.00 0.00 C ATOM 0 H VAL A 32 -13.252 -15.370 -5.477 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.407 -15.559 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.345 -13.511 -6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.941 -12.281 -5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -13.522 -13.929 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -12.793 -13.550 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.525 -11.827 -5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.382 -13.089 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.350 -13.148 -5.292 1.00 0.00 H new ATOM 517 N THR A 33 -11.414 -15.817 -3.052 1.00 0.00 N ATOM 518 CA THR A 33 -10.928 -16.056 -1.664 1.00 0.00 C ATOM 519 C THR A 33 -10.283 -17.440 -1.577 1.00 0.00 C ATOM 520 O THR A 33 -9.503 -17.717 -0.688 1.00 0.00 O ATOM 521 CB THR A 33 -12.106 -15.983 -0.692 1.00 0.00 C ATOM 522 OG1 THR A 33 -13.139 -15.190 -1.262 1.00 0.00 O ATOM 523 CG2 THR A 33 -11.647 -15.357 0.625 1.00 0.00 C ATOM 0 H THR A 33 -12.412 -15.972 -3.196 1.00 0.00 H new ATOM 0 HA THR A 33 -10.192 -15.296 -1.403 1.00 0.00 H new ATOM 0 HB THR A 33 -12.482 -16.988 -0.501 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.896 -15.143 -0.641 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.488 -15.306 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.855 -15.966 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.270 -14.352 0.438 1.00 0.00 H new ATOM 531 N GLU A 34 -10.601 -18.311 -2.495 1.00 0.00 N ATOM 532 CA GLU A 34 -10.007 -19.676 -2.463 1.00 0.00 C ATOM 533 C GLU A 34 -8.943 -19.794 -3.558 1.00 0.00 C ATOM 534 O GLU A 34 -8.227 -20.773 -3.637 1.00 0.00 O ATOM 535 CB GLU A 34 -11.104 -20.716 -2.698 1.00 0.00 C ATOM 536 CG GLU A 34 -12.152 -20.613 -1.586 1.00 0.00 C ATOM 537 CD GLU A 34 -11.507 -20.958 -0.241 1.00 0.00 C ATOM 538 OE1 GLU A 34 -11.084 -22.091 -0.083 1.00 0.00 O ATOM 539 OE2 GLU A 34 -11.450 -20.083 0.607 1.00 0.00 O ATOM 0 H GLU A 34 -11.246 -18.136 -3.265 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.547 -19.851 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.572 -20.554 -3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.673 -21.717 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.566 -19.605 -1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.980 -21.292 -1.789 1.00 0.00 H new ATOM 546 N VAL A 35 -8.828 -18.803 -4.402 1.00 0.00 N ATOM 547 CA VAL A 35 -7.807 -18.860 -5.484 1.00 0.00 C ATOM 548 C VAL A 35 -6.415 -18.751 -4.863 1.00 0.00 C ATOM 549 O VAL A 35 -5.463 -19.341 -5.338 1.00 0.00 O ATOM 550 CB VAL A 35 -8.032 -17.702 -6.452 1.00 0.00 C ATOM 551 CG1 VAL A 35 -6.806 -17.534 -7.355 1.00 0.00 C ATOM 552 CG2 VAL A 35 -9.261 -17.990 -7.315 1.00 0.00 C ATOM 0 H VAL A 35 -9.398 -17.957 -4.387 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.891 -19.802 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.190 -16.785 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.972 -16.706 -8.044 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.929 -17.326 -6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.643 -18.451 -7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.422 -17.163 -8.007 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.102 -18.909 -7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.136 -18.104 -6.675 1.00 0.00 H new ATOM 562 N ALA A 36 -6.290 -18.008 -3.800 1.00 0.00 N ATOM 563 CA ALA A 36 -4.962 -17.868 -3.143 1.00 0.00 C ATOM 564 C ALA A 36 -4.600 -19.189 -2.463 1.00 0.00 C ATOM 565 O ALA A 36 -3.444 -19.497 -2.259 1.00 0.00 O ATOM 566 CB ALA A 36 -5.024 -16.753 -2.097 1.00 0.00 C ATOM 0 H ALA A 36 -7.050 -17.492 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.207 -17.619 -3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.051 -16.651 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.290 -15.814 -2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.776 -16.999 -1.347 1.00 0.00 H new ATOM 572 N LYS A 37 -5.583 -19.973 -2.110 1.00 0.00 N ATOM 573 CA LYS A 37 -5.302 -21.271 -1.444 1.00 0.00 C ATOM 574 C LYS A 37 -4.233 -22.039 -2.231 1.00 0.00 C ATOM 575 O LYS A 37 -3.319 -22.609 -1.666 1.00 0.00 O ATOM 576 CB LYS A 37 -6.605 -22.068 -1.368 1.00 0.00 C ATOM 577 CG LYS A 37 -6.796 -22.922 -2.628 1.00 0.00 C ATOM 578 CD LYS A 37 -8.156 -23.621 -2.573 1.00 0.00 C ATOM 579 CE LYS A 37 -8.012 -24.965 -1.859 1.00 0.00 C ATOM 580 NZ LYS A 37 -8.945 -25.955 -2.468 1.00 0.00 N ATOM 0 H LYS A 37 -6.571 -19.767 -2.256 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.921 -21.107 -0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.593 -22.710 -0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.448 -21.386 -1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.734 -22.295 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.999 -23.661 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.878 -22.994 -2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.540 -23.773 -3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.985 -25.322 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.230 -24.850 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.847 -26.869 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.923 -25.615 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.717 -26.073 -3.476 1.00 0.00 H new ATOM 594 N ARG A 38 -4.340 -22.054 -3.529 1.00 0.00 N ATOM 595 CA ARG A 38 -3.339 -22.777 -4.357 1.00 0.00 C ATOM 596 C ARG A 38 -2.144 -21.862 -4.625 1.00 0.00 C ATOM 597 O ARG A 38 -1.065 -22.311 -4.956 1.00 0.00 O ATOM 598 CB ARG A 38 -3.983 -23.169 -5.684 1.00 0.00 C ATOM 599 CG ARG A 38 -4.363 -24.650 -5.651 1.00 0.00 C ATOM 600 CD ARG A 38 -3.121 -25.503 -5.914 1.00 0.00 C ATOM 601 NE ARG A 38 -3.424 -26.505 -6.973 1.00 0.00 N ATOM 602 CZ ARG A 38 -3.148 -26.238 -8.218 1.00 0.00 C ATOM 603 NH1 ARG A 38 -3.203 -25.007 -8.648 1.00 0.00 N ATOM 604 NH2 ARG A 38 -2.815 -27.199 -9.035 1.00 0.00 N ATOM 0 H ARG A 38 -5.083 -21.593 -4.055 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.001 -23.670 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.869 -22.560 -5.864 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.292 -22.978 -6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.793 -24.904 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.125 -24.857 -6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.290 -24.869 -6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.812 -26.007 -4.998 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.847 -27.399 -6.724 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.462 -24.255 -8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.987 -24.797 -9.623 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.770 -28.161 -8.699 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.599 -26.988 -10.009 1.00 0.00 H new ATOM 618 N GLY A 39 -2.334 -20.579 -4.492 1.00 0.00 N ATOM 619 CA GLY A 39 -1.216 -19.628 -4.748 1.00 0.00 C ATOM 620 C GLY A 39 -0.106 -19.828 -3.711 1.00 0.00 C ATOM 621 O GLY A 39 1.062 -19.852 -4.040 1.00 0.00 O ATOM 0 H GLY A 39 -3.216 -20.147 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.819 -19.783 -5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.584 -18.603 -4.705 1.00 0.00 H new ATOM 625 N GLY A 40 -0.460 -19.965 -2.462 1.00 0.00 N ATOM 626 CA GLY A 40 0.579 -20.154 -1.410 1.00 0.00 C ATOM 627 C GLY A 40 1.315 -21.475 -1.639 1.00 0.00 C ATOM 628 O GLY A 40 2.389 -21.696 -1.115 1.00 0.00 O ATOM 0 H GLY A 40 -1.423 -19.954 -2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.286 -19.325 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.115 -20.152 -0.424 1.00 0.00 H new ATOM 632 N GLU A 41 0.747 -22.356 -2.414 1.00 0.00 N ATOM 633 CA GLU A 41 1.414 -23.659 -2.670 1.00 0.00 C ATOM 634 C GLU A 41 2.464 -23.501 -3.772 1.00 0.00 C ATOM 635 O GLU A 41 3.629 -23.780 -3.573 1.00 0.00 O ATOM 636 CB GLU A 41 0.376 -24.683 -3.092 1.00 0.00 C ATOM 637 CG GLU A 41 -0.840 -24.589 -2.168 1.00 0.00 C ATOM 638 CD GLU A 41 -0.956 -25.872 -1.342 1.00 0.00 C ATOM 639 OE1 GLU A 41 -0.958 -26.937 -1.937 1.00 0.00 O ATOM 640 OE2 GLU A 41 -1.043 -25.767 -0.130 1.00 0.00 O ATOM 0 H GLU A 41 -0.151 -22.228 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 41 1.907 -23.996 -1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.075 -24.507 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.801 -25.686 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.742 -23.727 -1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.746 -24.440 -2.756 1.00 0.00 H new ATOM 647 N LEU A 42 2.066 -23.056 -4.932 1.00 0.00 N ATOM 648 CA LEU A 42 3.049 -22.885 -6.037 1.00 0.00 C ATOM 649 C LEU A 42 3.938 -21.672 -5.751 1.00 0.00 C ATOM 650 O LEU A 42 4.935 -21.455 -6.410 1.00 0.00 O ATOM 651 CB LEU A 42 2.303 -22.667 -7.355 1.00 0.00 C ATOM 652 CG LEU A 42 2.017 -24.017 -8.017 1.00 0.00 C ATOM 653 CD1 LEU A 42 1.400 -23.783 -9.397 1.00 0.00 C ATOM 654 CD2 LEU A 42 3.323 -24.800 -8.174 1.00 0.00 C ATOM 0 H LEU A 42 1.105 -22.804 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 42 3.668 -23.779 -6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.369 -22.136 -7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.898 -22.043 -8.022 1.00 0.00 H new ATOM 0 HG LEU A 42 1.325 -24.586 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.195 -24.743 -9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.470 -23.225 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.095 -23.214 -10.015 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.117 -25.761 -8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.015 -24.232 -8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.768 -24.965 -7.193 1.00 0.00 H new ATOM 666 N TRP A 43 3.586 -20.877 -4.777 1.00 0.00 N ATOM 667 CA TRP A 43 4.416 -19.680 -4.464 1.00 0.00 C ATOM 668 C TRP A 43 5.683 -20.106 -3.716 1.00 0.00 C ATOM 669 O TRP A 43 6.779 -19.715 -4.063 1.00 0.00 O ATOM 670 CB TRP A 43 3.615 -18.710 -3.593 1.00 0.00 C ATOM 671 CG TRP A 43 4.524 -17.634 -3.093 1.00 0.00 C ATOM 672 CD1 TRP A 43 5.052 -17.582 -1.850 1.00 0.00 C ATOM 673 CD2 TRP A 43 5.024 -16.463 -3.801 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.840 -16.449 -1.747 1.00 0.00 N ATOM 675 CE2 TRP A 43 5.855 -15.726 -2.924 1.00 0.00 C ATOM 676 CE3 TRP A 43 4.836 -15.973 -5.106 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.478 -14.544 -3.330 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.462 -14.784 -5.515 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.281 -14.072 -4.629 1.00 0.00 C ATOM 0 H TRP A 43 2.763 -21.004 -4.187 1.00 0.00 H new ATOM 0 HA TRP A 43 4.695 -19.188 -5.396 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.799 -18.274 -4.169 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.165 -19.242 -2.754 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.886 -18.306 -1.066 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.348 -16.180 -0.904 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.207 -16.514 -5.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.108 -13.998 -2.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.311 -14.416 -6.519 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.760 -13.159 -4.951 1.00 0.00 H new ATOM 690 N ARG A 44 5.544 -20.895 -2.686 1.00 0.00 N ATOM 691 CA ARG A 44 6.744 -21.331 -1.919 1.00 0.00 C ATOM 692 C ARG A 44 7.348 -22.580 -2.566 1.00 0.00 C ATOM 693 O ARG A 44 8.183 -23.247 -1.985 1.00 0.00 O ATOM 694 CB ARG A 44 6.336 -21.655 -0.478 1.00 0.00 C ATOM 695 CG ARG A 44 6.420 -20.388 0.377 1.00 0.00 C ATOM 696 CD ARG A 44 7.324 -20.646 1.585 1.00 0.00 C ATOM 697 NE ARG A 44 6.651 -21.593 2.517 1.00 0.00 N ATOM 698 CZ ARG A 44 6.407 -21.237 3.748 1.00 0.00 C ATOM 699 NH1 ARG A 44 5.438 -20.402 4.004 1.00 0.00 N ATOM 700 NH2 ARG A 44 7.131 -21.714 4.723 1.00 0.00 N ATOM 0 H ARG A 44 4.654 -21.256 -2.343 1.00 0.00 H new ATOM 0 HA ARG A 44 7.483 -20.530 -1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.321 -22.053 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.989 -22.426 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.814 -19.562 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.425 -20.095 0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.278 -21.059 1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.541 -19.708 2.097 1.00 0.00 H new ATOM 0 HE ARG A 44 6.380 -22.521 2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.872 -20.028 3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.246 -20.123 4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.889 -22.366 4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.939 -21.434 5.685 1.00 0.00 H new ATOM 714 N ALA A 45 6.925 -22.914 -3.755 1.00 0.00 N ATOM 715 CA ALA A 45 7.468 -24.130 -4.418 1.00 0.00 C ATOM 716 C ALA A 45 7.888 -23.813 -5.854 1.00 0.00 C ATOM 717 O ALA A 45 8.194 -24.700 -6.626 1.00 0.00 O ATOM 718 CB ALA A 45 6.379 -25.190 -4.448 1.00 0.00 C ATOM 0 H ALA A 45 6.229 -22.398 -4.293 1.00 0.00 H new ATOM 0 HA ALA A 45 8.338 -24.483 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.760 -26.090 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.074 -25.427 -3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.521 -24.814 -5.005 1.00 0.00 H new ATOM 724 N MET A 46 7.902 -22.566 -6.231 1.00 0.00 N ATOM 725 CA MET A 46 8.297 -22.221 -7.608 1.00 0.00 C ATOM 726 C MET A 46 9.824 -22.181 -7.690 1.00 0.00 C ATOM 727 O MET A 46 10.500 -23.120 -7.317 1.00 0.00 O ATOM 728 CB MET A 46 7.687 -20.862 -7.971 1.00 0.00 C ATOM 729 CG MET A 46 8.159 -19.809 -6.970 1.00 0.00 C ATOM 730 SD MET A 46 6.801 -18.674 -6.591 1.00 0.00 S ATOM 731 CE MET A 46 7.049 -17.540 -7.979 1.00 0.00 C ATOM 0 H MET A 46 7.655 -21.774 -5.637 1.00 0.00 H new ATOM 0 HA MET A 46 7.932 -22.966 -8.315 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.982 -20.577 -8.981 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.599 -20.926 -7.962 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.507 -20.292 -6.057 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.004 -19.256 -7.381 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.399 -16.673 -7.861 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.089 -17.214 -8.001 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.809 -18.049 -8.912 1.00 0.00 H new ATOM 741 N LYS A 47 10.372 -21.113 -8.176 1.00 0.00 N ATOM 742 CA LYS A 47 11.845 -21.007 -8.294 1.00 0.00 C ATOM 743 C LYS A 47 12.372 -20.020 -7.248 1.00 0.00 C ATOM 744 O LYS A 47 12.934 -20.405 -6.243 1.00 0.00 O ATOM 745 CB LYS A 47 12.169 -20.493 -9.690 1.00 0.00 C ATOM 746 CG LYS A 47 12.609 -21.658 -10.579 1.00 0.00 C ATOM 747 CD LYS A 47 11.452 -22.069 -11.494 1.00 0.00 C ATOM 748 CE LYS A 47 11.997 -22.832 -12.703 1.00 0.00 C ATOM 749 NZ LYS A 47 12.361 -21.866 -13.778 1.00 0.00 N ATOM 0 H LYS A 47 9.855 -20.296 -8.502 1.00 0.00 H new ATOM 0 HA LYS A 47 12.312 -21.978 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.295 -20.005 -10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.959 -19.744 -9.638 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.473 -21.367 -11.176 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.917 -22.503 -9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.746 -22.693 -10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.906 -21.186 -11.825 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.870 -23.417 -12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.249 -23.536 -13.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.731 -22.385 -14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.518 -21.327 -14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.088 -21.212 -13.425 1.00 0.00 H new ATOM 763 N ASP A 48 12.191 -18.748 -7.482 1.00 0.00 N ATOM 764 CA ASP A 48 12.675 -17.730 -6.509 1.00 0.00 C ATOM 765 C ASP A 48 11.566 -16.706 -6.260 1.00 0.00 C ATOM 766 O ASP A 48 10.962 -16.197 -7.181 1.00 0.00 O ATOM 767 CB ASP A 48 13.907 -17.024 -7.080 1.00 0.00 C ATOM 768 CG ASP A 48 15.163 -17.530 -6.369 1.00 0.00 C ATOM 769 OD1 ASP A 48 15.259 -18.729 -6.159 1.00 0.00 O ATOM 770 OD2 ASP A 48 16.009 -16.712 -6.048 1.00 0.00 O ATOM 0 H ASP A 48 11.727 -18.370 -8.308 1.00 0.00 H new ATOM 0 HA ASP A 48 12.941 -18.216 -5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.983 -17.212 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 48 13.813 -15.946 -6.951 1.00 0.00 H new ATOM 775 N LYS A 49 11.291 -16.405 -5.021 1.00 0.00 N ATOM 776 CA LYS A 49 10.215 -15.420 -4.715 1.00 0.00 C ATOM 777 C LYS A 49 10.781 -14.001 -4.770 1.00 0.00 C ATOM 778 O LYS A 49 10.050 -13.031 -4.730 1.00 0.00 O ATOM 779 CB LYS A 49 9.661 -15.692 -3.315 1.00 0.00 C ATOM 780 CG LYS A 49 8.942 -17.043 -3.305 1.00 0.00 C ATOM 781 CD LYS A 49 9.491 -17.905 -2.168 1.00 0.00 C ATOM 782 CE LYS A 49 9.431 -17.122 -0.853 1.00 0.00 C ATOM 783 NZ LYS A 49 10.745 -17.222 -0.156 1.00 0.00 N ATOM 0 H LYS A 49 11.764 -16.798 -4.207 1.00 0.00 H new ATOM 0 HA LYS A 49 9.417 -15.518 -5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.471 -15.694 -2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.972 -14.899 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.870 -16.895 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.083 -17.549 -4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.911 -18.824 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.519 -18.196 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.190 -16.077 -1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.639 -17.518 -0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.706 -16.691 0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.957 -18.220 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.491 -16.825 -0.762 1.00 0.00 H new ATOM 797 N SER A 50 12.075 -13.866 -4.861 1.00 0.00 N ATOM 798 CA SER A 50 12.671 -12.502 -4.918 1.00 0.00 C ATOM 799 C SER A 50 12.395 -11.882 -6.290 1.00 0.00 C ATOM 800 O SER A 50 12.708 -10.735 -6.540 1.00 0.00 O ATOM 801 CB SER A 50 14.181 -12.592 -4.690 1.00 0.00 C ATOM 802 OG SER A 50 14.802 -13.122 -5.853 1.00 0.00 O ATOM 0 H SER A 50 12.742 -14.637 -4.898 1.00 0.00 H new ATOM 0 HA SER A 50 12.226 -11.879 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.586 -11.605 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.393 -13.227 -3.830 1.00 0.00 H new ATOM 0 HG SER A 50 15.770 -13.179 -5.710 1.00 0.00 H new ATOM 808 N GLU A 51 11.807 -12.632 -7.180 1.00 0.00 N ATOM 809 CA GLU A 51 11.506 -12.092 -8.531 1.00 0.00 C ATOM 810 C GLU A 51 10.432 -11.006 -8.418 1.00 0.00 C ATOM 811 O GLU A 51 10.604 -9.892 -8.871 1.00 0.00 O ATOM 812 CB GLU A 51 11.020 -13.229 -9.415 1.00 0.00 C ATOM 813 CG GLU A 51 10.191 -12.690 -10.587 1.00 0.00 C ATOM 814 CD GLU A 51 10.317 -13.638 -11.781 1.00 0.00 C ATOM 815 OE1 GLU A 51 10.029 -14.812 -11.613 1.00 0.00 O ATOM 816 OE2 GLU A 51 10.699 -13.176 -12.843 1.00 0.00 O ATOM 0 H GLU A 51 11.522 -13.599 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 51 12.401 -11.652 -8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.873 -13.791 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.419 -13.922 -8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.146 -12.595 -10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.536 -11.694 -10.862 1.00 0.00 H new ATOM 823 N TRP A 52 9.323 -11.332 -7.816 1.00 0.00 N ATOM 824 CA TRP A 52 8.225 -10.342 -7.666 1.00 0.00 C ATOM 825 C TRP A 52 8.556 -9.363 -6.553 1.00 0.00 C ATOM 826 O TRP A 52 8.139 -8.230 -6.576 1.00 0.00 O ATOM 827 CB TRP A 52 6.957 -11.083 -7.295 1.00 0.00 C ATOM 828 CG TRP A 52 6.803 -12.239 -8.188 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.259 -13.454 -7.917 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.164 -12.304 -9.481 1.00 0.00 C ATOM 831 NE1 TRP A 52 6.932 -14.299 -8.961 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.247 -13.628 -9.957 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.522 -11.351 -10.269 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.702 -13.995 -11.189 1.00 0.00 C ATOM 835 CZ3 TRP A 52 4.972 -11.703 -11.500 1.00 0.00 C ATOM 836 CH2 TRP A 52 5.055 -13.025 -11.965 1.00 0.00 C ATOM 0 H TRP A 52 9.130 -12.251 -7.418 1.00 0.00 H new ATOM 0 HA TRP A 52 8.097 -9.797 -8.601 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.003 -11.412 -6.257 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.095 -10.422 -7.382 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.798 -13.738 -7.025 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.166 -15.291 -8.993 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.450 -10.331 -9.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.778 -15.014 -11.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.478 -10.953 -12.101 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.622 -13.293 -12.917 1.00 0.00 H new ATOM 847 N GLU A 53 9.276 -9.794 -5.560 1.00 0.00 N ATOM 848 CA GLU A 53 9.598 -8.860 -4.440 1.00 0.00 C ATOM 849 C GLU A 53 10.350 -7.643 -4.975 1.00 0.00 C ATOM 850 O GLU A 53 10.020 -6.515 -4.668 1.00 0.00 O ATOM 851 CB GLU A 53 10.425 -9.586 -3.365 1.00 0.00 C ATOM 852 CG GLU A 53 11.913 -9.622 -3.727 1.00 0.00 C ATOM 853 CD GLU A 53 12.562 -8.265 -3.443 1.00 0.00 C ATOM 854 OE1 GLU A 53 11.919 -7.443 -2.811 1.00 0.00 O ATOM 855 OE2 GLU A 53 13.691 -8.072 -3.863 1.00 0.00 O ATOM 0 H GLU A 53 9.653 -10.738 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 53 8.670 -8.517 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.295 -9.085 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.054 -10.604 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.415 -10.400 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.032 -9.876 -4.780 1.00 0.00 H new ATOM 862 N ALA A 54 11.346 -7.854 -5.779 1.00 0.00 N ATOM 863 CA ALA A 54 12.105 -6.701 -6.340 1.00 0.00 C ATOM 864 C ALA A 54 11.278 -6.071 -7.458 1.00 0.00 C ATOM 865 O ALA A 54 11.362 -4.887 -7.725 1.00 0.00 O ATOM 866 CB ALA A 54 13.443 -7.186 -6.900 1.00 0.00 C ATOM 0 H ALA A 54 11.671 -8.774 -6.075 1.00 0.00 H new ATOM 0 HA ALA A 54 12.296 -5.966 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.994 -6.340 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.025 -7.647 -6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.264 -7.917 -7.688 1.00 0.00 H new ATOM 872 N LYS A 55 10.470 -6.860 -8.106 1.00 0.00 N ATOM 873 CA LYS A 55 9.619 -6.332 -9.205 1.00 0.00 C ATOM 874 C LYS A 55 8.603 -5.344 -8.634 1.00 0.00 C ATOM 875 O LYS A 55 8.195 -4.406 -9.289 1.00 0.00 O ATOM 876 CB LYS A 55 8.866 -7.491 -9.848 1.00 0.00 C ATOM 877 CG LYS A 55 8.316 -7.057 -11.208 1.00 0.00 C ATOM 878 CD LYS A 55 8.252 -8.266 -12.143 1.00 0.00 C ATOM 879 CE LYS A 55 6.892 -8.953 -12.002 1.00 0.00 C ATOM 880 NZ LYS A 55 5.826 -8.061 -12.540 1.00 0.00 N ATOM 0 H LYS A 55 10.362 -7.857 -7.919 1.00 0.00 H new ATOM 0 HA LYS A 55 10.246 -5.831 -9.943 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.531 -8.346 -9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.050 -7.811 -9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.323 -6.623 -11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.952 -6.284 -11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.405 -7.949 -13.175 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.051 -8.967 -11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.894 -9.901 -12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.695 -9.182 -10.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.143 -7.842 -11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.254 -7.179 -12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.336 -8.539 -13.323 1.00 0.00 H new ATOM 894 N ALA A 56 8.183 -5.559 -7.420 1.00 0.00 N ATOM 895 CA ALA A 56 7.184 -4.645 -6.803 1.00 0.00 C ATOM 896 C ALA A 56 7.821 -3.278 -6.571 1.00 0.00 C ATOM 897 O ALA A 56 7.180 -2.256 -6.706 1.00 0.00 O ATOM 898 CB ALA A 56 6.716 -5.225 -5.467 1.00 0.00 C ATOM 0 H ALA A 56 8.489 -6.330 -6.827 1.00 0.00 H new ATOM 0 HA ALA A 56 6.329 -4.538 -7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.984 -4.555 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.260 -6.201 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.570 -5.333 -4.798 1.00 0.00 H new ATOM 904 N ALA A 57 9.078 -3.246 -6.232 1.00 0.00 N ATOM 905 CA ALA A 57 9.746 -1.937 -6.003 1.00 0.00 C ATOM 906 C ALA A 57 9.802 -1.173 -7.324 1.00 0.00 C ATOM 907 O ALA A 57 9.327 -0.060 -7.432 1.00 0.00 O ATOM 908 CB ALA A 57 11.168 -2.168 -5.494 1.00 0.00 C ATOM 0 H ALA A 57 9.670 -4.067 -6.104 1.00 0.00 H new ATOM 0 HA ALA A 57 9.187 -1.364 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.655 -1.207 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.133 -2.725 -4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.731 -2.737 -6.234 1.00 0.00 H new ATOM 914 N LYS A 58 10.380 -1.765 -8.333 1.00 0.00 N ATOM 915 CA LYS A 58 10.466 -1.076 -9.650 1.00 0.00 C ATOM 916 C LYS A 58 9.071 -0.619 -10.075 1.00 0.00 C ATOM 917 O LYS A 58 8.894 0.486 -10.543 1.00 0.00 O ATOM 918 CB LYS A 58 11.035 -2.033 -10.699 1.00 0.00 C ATOM 919 CG LYS A 58 12.405 -2.541 -10.241 1.00 0.00 C ATOM 920 CD LYS A 58 12.545 -4.024 -10.590 1.00 0.00 C ATOM 921 CE LYS A 58 12.885 -4.174 -12.074 1.00 0.00 C ATOM 922 NZ LYS A 58 14.365 -4.193 -12.246 1.00 0.00 N ATOM 0 H LYS A 58 10.796 -2.696 -8.302 1.00 0.00 H new ATOM 0 HA LYS A 58 11.123 -0.210 -9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.355 -2.872 -10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.127 -1.524 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.197 -1.967 -10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.517 -2.398 -9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.326 -4.479 -9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.617 -4.550 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.451 -5.094 -12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.453 -3.350 -12.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.596 -4.295 -13.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.768 -3.304 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.766 -4.993 -11.717 1.00 0.00 H new ATOM 936 N ALA A 59 8.074 -1.446 -9.906 1.00 0.00 N ATOM 937 CA ALA A 59 6.704 -1.017 -10.296 1.00 0.00 C ATOM 938 C ALA A 59 6.323 0.180 -9.445 1.00 0.00 C ATOM 939 O ALA A 59 5.651 1.074 -9.891 1.00 0.00 O ATOM 940 CB ALA A 59 5.694 -2.143 -10.047 1.00 0.00 C ATOM 0 H ALA A 59 8.148 -2.387 -9.520 1.00 0.00 H new ATOM 0 HA ALA A 59 6.692 -0.765 -11.356 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.698 -1.809 -10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.971 -3.017 -10.636 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.694 -2.404 -8.989 1.00 0.00 H new ATOM 946 N LYS A 60 6.762 0.199 -8.219 1.00 0.00 N ATOM 947 CA LYS A 60 6.438 1.329 -7.323 1.00 0.00 C ATOM 948 C LYS A 60 6.880 2.632 -7.963 1.00 0.00 C ATOM 949 O LYS A 60 6.095 3.528 -8.171 1.00 0.00 O ATOM 950 CB LYS A 60 7.199 1.139 -6.020 1.00 0.00 C ATOM 951 CG LYS A 60 6.285 1.456 -4.834 1.00 0.00 C ATOM 952 CD LYS A 60 6.422 0.362 -3.773 1.00 0.00 C ATOM 953 CE LYS A 60 5.468 0.656 -2.614 1.00 0.00 C ATOM 954 NZ LYS A 60 6.143 1.549 -1.629 1.00 0.00 N ATOM 0 H LYS A 60 7.338 -0.531 -7.800 1.00 0.00 H new ATOM 0 HA LYS A 60 5.364 1.362 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.562 0.114 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.073 1.789 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.548 2.424 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.250 1.525 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.195 -0.612 -4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.449 0.318 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.560 1.129 -2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.167 -0.274 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.495 1.749 -0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.997 1.081 -1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.409 2.441 -2.094 1.00 0.00 H new ATOM 968 N ASP A 61 8.136 2.754 -8.255 1.00 0.00 N ATOM 969 CA ASP A 61 8.628 4.024 -8.865 1.00 0.00 C ATOM 970 C ASP A 61 7.920 4.291 -10.199 1.00 0.00 C ATOM 971 O ASP A 61 7.473 5.391 -10.462 1.00 0.00 O ATOM 972 CB ASP A 61 10.138 3.928 -9.091 1.00 0.00 C ATOM 973 CG ASP A 61 10.870 4.542 -7.896 1.00 0.00 C ATOM 974 OD1 ASP A 61 10.238 4.720 -6.867 1.00 0.00 O ATOM 975 OD2 ASP A 61 12.050 4.825 -8.029 1.00 0.00 O ATOM 0 H ASP A 61 8.846 2.038 -8.102 1.00 0.00 H new ATOM 0 HA ASP A 61 8.410 4.849 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.433 2.886 -9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.414 4.449 -10.008 1.00 0.00 H new ATOM 980 N ASP A 62 7.813 3.306 -11.042 1.00 0.00 N ATOM 981 CA ASP A 62 7.137 3.513 -12.355 1.00 0.00 C ATOM 982 C ASP A 62 5.621 3.563 -12.154 1.00 0.00 C ATOM 983 O ASP A 62 4.866 3.802 -13.075 1.00 0.00 O ATOM 984 CB ASP A 62 7.473 2.342 -13.272 1.00 0.00 C ATOM 985 CG ASP A 62 8.964 2.369 -13.610 1.00 0.00 C ATOM 986 OD1 ASP A 62 9.754 2.024 -12.746 1.00 0.00 O ATOM 987 OD2 ASP A 62 9.291 2.734 -14.727 1.00 0.00 O ATOM 0 H ASP A 62 8.165 2.362 -10.880 1.00 0.00 H new ATOM 0 HA ASP A 62 7.477 4.450 -12.795 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.217 1.401 -12.786 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.881 2.400 -14.186 1.00 0.00 H new ATOM 992 N TYR A 63 5.177 3.307 -10.960 1.00 0.00 N ATOM 993 CA TYR A 63 3.717 3.299 -10.677 1.00 0.00 C ATOM 994 C TYR A 63 3.255 4.658 -10.142 1.00 0.00 C ATOM 995 O TYR A 63 2.209 5.149 -10.510 1.00 0.00 O ATOM 996 CB TYR A 63 3.464 2.219 -9.641 1.00 0.00 C ATOM 997 CG TYR A 63 2.098 2.371 -9.062 1.00 0.00 C ATOM 998 CD1 TYR A 63 0.977 2.079 -9.835 1.00 0.00 C ATOM 999 CD2 TYR A 63 1.962 2.785 -7.743 1.00 0.00 C ATOM 1000 CE1 TYR A 63 -0.294 2.201 -9.284 1.00 0.00 C ATOM 1001 CE2 TYR A 63 0.692 2.910 -7.182 1.00 0.00 C ATOM 1002 CZ TYR A 63 -0.443 2.614 -7.951 1.00 0.00 C ATOM 1003 OH TYR A 63 -1.704 2.738 -7.401 1.00 0.00 O ATOM 0 H TYR A 63 5.770 3.100 -10.157 1.00 0.00 H new ATOM 0 HA TYR A 63 3.159 3.102 -11.592 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.566 1.235 -10.099 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.211 2.281 -8.850 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.094 1.759 -10.860 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.838 3.010 -7.153 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.166 1.978 -9.881 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.582 3.234 -6.158 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.627 3.032 -6.469 1.00 0.00 H new ATOM 1013 N ASP A 64 4.009 5.270 -9.275 1.00 0.00 N ATOM 1014 CA ASP A 64 3.587 6.586 -8.734 1.00 0.00 C ATOM 1015 C ASP A 64 3.737 7.635 -9.822 1.00 0.00 C ATOM 1016 O ASP A 64 2.994 8.593 -9.897 1.00 0.00 O ATOM 1017 CB ASP A 64 4.471 6.948 -7.562 1.00 0.00 C ATOM 1018 CG ASP A 64 3.725 7.900 -6.624 1.00 0.00 C ATOM 1019 OD1 ASP A 64 2.651 7.538 -6.175 1.00 0.00 O ATOM 1020 OD2 ASP A 64 4.244 8.976 -6.371 1.00 0.00 O ATOM 0 H ASP A 64 4.897 4.916 -8.919 1.00 0.00 H new ATOM 0 HA ASP A 64 2.549 6.539 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.763 6.047 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.388 7.418 -7.918 1.00 0.00 H new ATOM 1025 N ARG A 65 4.713 7.459 -10.662 1.00 0.00 N ATOM 1026 CA ARG A 65 4.947 8.443 -11.750 1.00 0.00 C ATOM 1027 C ARG A 65 4.022 8.162 -12.938 1.00 0.00 C ATOM 1028 O ARG A 65 3.516 9.070 -13.568 1.00 0.00 O ATOM 1029 CB ARG A 65 6.401 8.358 -12.212 1.00 0.00 C ATOM 1030 CG ARG A 65 6.783 9.653 -12.929 1.00 0.00 C ATOM 1031 CD ARG A 65 8.261 9.601 -13.315 1.00 0.00 C ATOM 1032 NE ARG A 65 8.778 10.986 -13.495 1.00 0.00 N ATOM 1033 CZ ARG A 65 10.060 11.213 -13.436 1.00 0.00 C ATOM 1034 NH1 ARG A 65 10.695 11.079 -12.304 1.00 0.00 N ATOM 1035 NH2 ARG A 65 10.708 11.571 -14.510 1.00 0.00 N ATOM 0 H ARG A 65 5.362 6.672 -10.642 1.00 0.00 H new ATOM 0 HA ARG A 65 4.736 9.442 -11.367 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.057 8.196 -11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.533 7.507 -12.880 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.168 9.784 -13.819 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.594 10.510 -12.282 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.832 9.086 -12.542 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.387 9.032 -14.236 1.00 0.00 H new ATOM 0 HE ARG A 65 8.130 11.755 -13.664 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.188 10.797 -11.465 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.698 11.257 -12.258 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.211 11.673 -15.395 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.711 11.749 -14.465 1.00 0.00 H new