USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=10 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 180:sc= -1.15 USER MOD Single : A 13 MET CE :methyl 162:sc= -1.45 (180deg=-1.64!) USER MOD Single : A 17 ASN : amide:sc= -3.97! C(o=-4!,f=-9.6!) USER MOD Single : A 18 SER OG : rot -159:sc= -0.712 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= -0.089 (180deg=-0.733) USER MOD Single : A 27 ASN : amide:sc= -3.87! X(o=-3.9!,f=-3.9) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00152 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 165:sc= -10.7! (180deg=-11.9!) 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+ 180:sc= 0 (180deg=0) 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 0.211 1.009 -7.543 1.00 0.00 N ATOM 83 CA ARG A 7 0.543 0.786 -6.107 1.00 0.00 C ATOM 84 C ARG A 7 1.399 -0.480 -5.950 1.00 0.00 C ATOM 85 O ARG A 7 1.190 -1.458 -6.642 1.00 0.00 O ATOM 86 CB ARG A 7 -0.752 0.620 -5.309 1.00 0.00 C ATOM 87 CG ARG A 7 -1.579 -0.519 -5.909 1.00 0.00 C ATOM 88 CD ARG A 7 -2.607 -0.998 -4.883 1.00 0.00 C ATOM 89 NE ARG A 7 -1.957 -1.117 -3.548 1.00 0.00 N ATOM 90 CZ ARG A 7 -2.589 -0.720 -2.478 1.00 0.00 C ATOM 91 NH1 ARG A 7 -2.640 0.551 -2.184 1.00 0.00 N ATOM 92 NH2 ARG A 7 -3.172 -1.592 -1.703 1.00 0.00 N ATOM 0 HA ARG A 7 1.104 1.644 -5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.523 0.407 -4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.324 1.548 -5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.083 -0.179 -6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.927 -1.343 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.440 -0.297 -4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.018 -1.961 -5.186 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.018 -1.509 -3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.186 1.233 -2.791 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.134 0.862 -1.347 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.134 -2.585 -1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.666 -1.281 -0.867 1.00 0.00 H new ATOM 106 N PRO A 8 2.331 -0.424 -5.027 1.00 0.00 N ATOM 107 CA PRO A 8 3.235 -1.553 -4.728 1.00 0.00 C ATOM 108 C PRO A 8 2.480 -2.661 -3.989 1.00 0.00 C ATOM 109 O PRO A 8 1.586 -2.405 -3.209 1.00 0.00 O ATOM 110 CB PRO A 8 4.306 -0.930 -3.824 1.00 0.00 C ATOM 111 CG PRO A 8 3.662 0.334 -3.210 1.00 0.00 C ATOM 112 CD PRO A 8 2.571 0.774 -4.199 1.00 0.00 C ATOM 0 HA PRO A 8 3.654 -2.013 -5.623 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.614 -1.628 -3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.199 -0.675 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.237 0.119 -2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.403 1.121 -3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.665 1.088 -3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.899 1.618 -4.805 1.00 0.00 H new ATOM 120 N LEU A 9 2.834 -3.891 -4.235 1.00 0.00 N ATOM 121 CA LEU A 9 2.141 -5.017 -3.558 1.00 0.00 C ATOM 122 C LEU A 9 3.144 -6.131 -3.246 1.00 0.00 C ATOM 123 O LEU A 9 4.252 -6.146 -3.743 1.00 0.00 O ATOM 124 CB LEU A 9 1.025 -5.522 -4.466 1.00 0.00 C ATOM 125 CG LEU A 9 1.591 -5.813 -5.845 1.00 0.00 C ATOM 126 CD1 LEU A 9 2.428 -7.073 -5.753 1.00 0.00 C ATOM 127 CD2 LEU A 9 0.442 -6.026 -6.827 1.00 0.00 C ATOM 0 H LEU A 9 3.577 -4.164 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 9 1.708 -4.683 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.579 -6.424 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.232 -4.777 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 9 2.203 -4.981 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.847 -7.304 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.238 -6.921 -5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.803 -7.902 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.845 -6.235 -7.818 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.167 -6.868 -6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.173 -5.127 -6.868 1.00 0.00 H new ATOM 139 N SER A 10 2.759 -7.051 -2.410 1.00 0.00 N ATOM 140 CA SER A 10 3.680 -8.167 -2.031 1.00 0.00 C ATOM 141 C SER A 10 4.140 -8.940 -3.274 1.00 0.00 C ATOM 142 O SER A 10 3.420 -9.085 -4.245 1.00 0.00 O ATOM 143 CB SER A 10 2.952 -9.122 -1.085 1.00 0.00 C ATOM 144 OG SER A 10 3.659 -9.192 0.147 1.00 0.00 O ATOM 0 H SER A 10 1.841 -7.082 -1.967 1.00 0.00 H new ATOM 0 HA SER A 10 4.556 -7.744 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.933 -8.776 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.881 -10.113 -1.534 1.00 0.00 H new ATOM 0 HG SER A 10 3.194 -9.802 0.757 1.00 0.00 H new ATOM 150 N ALA A 11 5.340 -9.454 -3.244 1.00 0.00 N ATOM 151 CA ALA A 11 5.853 -10.227 -4.409 1.00 0.00 C ATOM 152 C ALA A 11 4.899 -11.386 -4.706 1.00 0.00 C ATOM 153 O ALA A 11 4.650 -11.723 -5.848 1.00 0.00 O ATOM 154 CB ALA A 11 7.238 -10.785 -4.076 1.00 0.00 C ATOM 0 H ALA A 11 5.988 -9.371 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 11 5.921 -9.575 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.616 -11.351 -4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.919 -9.962 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.167 -11.439 -3.207 1.00 0.00 H new ATOM 160 N TYR A 12 4.360 -11.997 -3.686 1.00 0.00 N ATOM 161 CA TYR A 12 3.426 -13.127 -3.899 1.00 0.00 C ATOM 162 C TYR A 12 2.263 -12.663 -4.776 1.00 0.00 C ATOM 163 O TYR A 12 1.728 -13.418 -5.564 1.00 0.00 O ATOM 164 CB TYR A 12 2.904 -13.576 -2.538 1.00 0.00 C ATOM 165 CG TYR A 12 1.757 -14.539 -2.719 1.00 0.00 C ATOM 166 CD1 TYR A 12 1.813 -15.514 -3.722 1.00 0.00 C ATOM 167 CD2 TYR A 12 0.639 -14.461 -1.879 1.00 0.00 C ATOM 168 CE1 TYR A 12 0.751 -16.412 -3.886 1.00 0.00 C ATOM 169 CE2 TYR A 12 -0.423 -15.359 -2.044 1.00 0.00 C ATOM 170 CZ TYR A 12 -0.367 -16.334 -3.046 1.00 0.00 C ATOM 171 OH TYR A 12 -1.413 -17.219 -3.207 1.00 0.00 O ATOM 0 H TYR A 12 4.531 -11.756 -2.710 1.00 0.00 H new ATOM 0 HA TYR A 12 3.933 -13.955 -4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.704 -14.052 -1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.576 -12.711 -1.961 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.675 -15.574 -4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.596 -13.709 -1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.794 -17.164 -4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.286 -15.299 -1.397 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.108 -17.029 -2.543 1.00 0.00 H new ATOM 181 N MET A 13 1.868 -11.427 -4.646 1.00 0.00 N ATOM 182 CA MET A 13 0.744 -10.916 -5.469 1.00 0.00 C ATOM 183 C MET A 13 1.193 -10.777 -6.926 1.00 0.00 C ATOM 184 O MET A 13 0.501 -11.198 -7.830 1.00 0.00 O ATOM 185 CB MET A 13 0.299 -9.556 -4.937 1.00 0.00 C ATOM 186 CG MET A 13 0.320 -9.565 -3.408 1.00 0.00 C ATOM 187 SD MET A 13 -1.345 -9.234 -2.781 1.00 0.00 S ATOM 188 CE MET A 13 -2.182 -10.594 -3.632 1.00 0.00 C ATOM 0 H MET A 13 2.278 -10.750 -4.003 1.00 0.00 H new ATOM 0 HA MET A 13 -0.090 -11.616 -5.416 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.958 -8.774 -5.314 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.705 -9.326 -5.295 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.672 -10.530 -3.044 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.016 -8.812 -3.039 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.144 -10.784 -3.156 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.341 -10.326 -4.677 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.566 -11.492 -3.577 1.00 0.00 H new ATOM 198 N LEU A 14 2.342 -10.195 -7.175 1.00 0.00 N ATOM 199 CA LEU A 14 2.784 -10.060 -8.598 1.00 0.00 C ATOM 200 C LEU A 14 2.639 -11.419 -9.277 1.00 0.00 C ATOM 201 O LEU A 14 2.186 -11.523 -10.399 1.00 0.00 O ATOM 202 CB LEU A 14 4.250 -9.605 -8.698 1.00 0.00 C ATOM 203 CG LEU A 14 4.491 -8.387 -7.794 1.00 0.00 C ATOM 204 CD1 LEU A 14 5.968 -7.979 -7.851 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.632 -7.220 -8.291 1.00 0.00 C ATOM 0 H LEU A 14 2.979 -9.816 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 14 2.165 -9.306 -9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.912 -10.420 -8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.491 -9.353 -9.731 1.00 0.00 H new ATOM 0 HG LEU A 14 4.226 -8.641 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.132 -7.115 -7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.588 -8.808 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.236 -7.724 -8.876 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.797 -6.350 -7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.908 -6.976 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.580 -7.502 -8.255 1.00 0.00 H new ATOM 217 N TRP A 15 3.015 -12.464 -8.594 1.00 0.00 N ATOM 218 CA TRP A 15 2.897 -13.824 -9.184 1.00 0.00 C ATOM 219 C TRP A 15 1.418 -14.149 -9.413 1.00 0.00 C ATOM 220 O TRP A 15 1.028 -14.603 -10.470 1.00 0.00 O ATOM 221 CB TRP A 15 3.509 -14.840 -8.218 1.00 0.00 C ATOM 222 CG TRP A 15 3.325 -16.220 -8.756 1.00 0.00 C ATOM 223 CD1 TRP A 15 4.102 -16.796 -9.700 1.00 0.00 C ATOM 224 CD2 TRP A 15 2.317 -17.206 -8.395 1.00 0.00 C ATOM 225 NE1 TRP A 15 3.634 -18.075 -9.943 1.00 0.00 N ATOM 226 CE2 TRP A 15 2.535 -18.374 -9.161 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.247 -17.199 -7.484 1.00 0.00 C ATOM 228 CZ2 TRP A 15 1.719 -19.497 -9.029 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.422 -18.326 -7.348 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.657 -19.474 -8.119 1.00 0.00 C ATOM 0 H TRP A 15 3.400 -12.433 -7.650 1.00 0.00 H new ATOM 0 HA TRP A 15 3.424 -13.865 -10.137 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.570 -14.632 -8.080 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.037 -14.755 -7.239 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.949 -16.334 -10.185 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.049 -18.718 -10.617 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.058 -16.321 -6.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.906 -20.378 -9.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.398 -18.309 -6.646 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.019 -20.339 -8.010 1.00 0.00 H new ATOM 241 N LEU A 16 0.594 -13.916 -8.427 1.00 0.00 N ATOM 242 CA LEU A 16 -0.860 -14.207 -8.579 1.00 0.00 C ATOM 243 C LEU A 16 -1.407 -13.508 -9.827 1.00 0.00 C ATOM 244 O LEU A 16 -2.319 -13.991 -10.467 1.00 0.00 O ATOM 245 CB LEU A 16 -1.607 -13.691 -7.349 1.00 0.00 C ATOM 246 CG LEU A 16 -1.323 -14.605 -6.157 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.486 -13.814 -4.860 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.311 -15.772 -6.169 1.00 0.00 C ATOM 0 H LEU A 16 0.866 -13.536 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.001 -15.283 -8.679 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.294 -12.672 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.678 -13.658 -7.548 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.304 -14.987 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.284 -14.465 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.786 -12.979 -4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.505 -13.433 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.112 -16.426 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.329 -15.388 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.198 -16.335 -7.095 1.00 0.00 H new ATOM 260 N ASN A 17 -0.866 -12.372 -10.174 1.00 0.00 N ATOM 261 CA ASN A 17 -1.365 -11.646 -11.371 1.00 0.00 C ATOM 262 C ASN A 17 -1.043 -12.442 -12.638 1.00 0.00 C ATOM 263 O ASN A 17 -1.892 -12.649 -13.482 1.00 0.00 O ATOM 264 CB ASN A 17 -0.703 -10.281 -11.436 1.00 0.00 C ATOM 265 CG ASN A 17 -0.673 -9.659 -10.038 1.00 0.00 C ATOM 266 OD1 ASN A 17 -1.202 -10.220 -9.099 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.072 -8.514 -9.858 1.00 0.00 N ATOM 0 H ASN A 17 -0.099 -11.917 -9.678 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.446 -11.525 -11.299 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.311 -10.375 -11.825 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.249 -9.633 -12.122 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.047 -8.092 -8.930 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.373 -8.042 -10.645 1.00 0.00 H new ATOM 274 N SER A 18 0.173 -12.896 -12.778 1.00 0.00 N ATOM 275 CA SER A 18 0.535 -13.681 -13.988 1.00 0.00 C ATOM 276 C SER A 18 0.059 -15.126 -13.829 1.00 0.00 C ATOM 277 O SER A 18 0.335 -15.974 -14.654 1.00 0.00 O ATOM 278 CB SER A 18 2.042 -13.659 -14.170 1.00 0.00 C ATOM 279 OG SER A 18 2.529 -12.347 -13.918 1.00 0.00 O ATOM 0 H SER A 18 0.929 -12.757 -12.107 1.00 0.00 H new ATOM 0 HA SER A 18 0.055 -13.240 -14.862 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.512 -14.370 -13.490 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.302 -13.967 -15.183 1.00 0.00 H new ATOM 0 HG SER A 18 3.406 -12.237 -14.342 1.00 0.00 H new ATOM 285 N ALA A 19 -0.657 -15.414 -12.775 1.00 0.00 N ATOM 286 CA ALA A 19 -1.151 -16.805 -12.566 1.00 0.00 C ATOM 287 C ALA A 19 -2.678 -16.803 -12.515 1.00 0.00 C ATOM 288 O ALA A 19 -3.308 -17.838 -12.557 1.00 0.00 O ATOM 289 CB ALA A 19 -0.605 -17.351 -11.246 1.00 0.00 C ATOM 0 H ALA A 19 -0.921 -14.746 -12.050 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.812 -17.434 -13.390 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.967 -18.368 -11.095 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.485 -17.355 -11.277 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.943 -16.720 -10.424 1.00 0.00 H new ATOM 295 N ARG A 20 -3.277 -15.648 -12.413 1.00 0.00 N ATOM 296 CA ARG A 20 -4.765 -15.582 -12.347 1.00 0.00 C ATOM 297 C ARG A 20 -5.373 -16.172 -13.620 1.00 0.00 C ATOM 298 O ARG A 20 -6.550 -16.470 -13.673 1.00 0.00 O ATOM 299 CB ARG A 20 -5.207 -14.125 -12.196 1.00 0.00 C ATOM 300 CG ARG A 20 -6.011 -13.968 -10.905 1.00 0.00 C ATOM 301 CD ARG A 20 -5.603 -12.670 -10.208 1.00 0.00 C ATOM 302 NE ARG A 20 -6.639 -12.300 -9.204 1.00 0.00 N ATOM 303 CZ ARG A 20 -6.536 -11.177 -8.547 1.00 0.00 C ATOM 304 NH1 ARG A 20 -6.575 -10.041 -9.188 1.00 0.00 N ATOM 305 NH2 ARG A 20 -6.393 -11.191 -7.250 1.00 0.00 N ATOM 0 H ARG A 20 -2.800 -14.747 -12.372 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.109 -16.158 -11.488 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.336 -13.470 -12.177 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.812 -13.827 -13.052 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.078 -13.955 -11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.833 -14.819 -10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.636 -12.795 -9.720 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.489 -11.871 -10.941 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.428 -12.923 -9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.686 -10.031 -10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.495 -9.163 -8.675 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.362 -12.079 -6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.312 -10.313 -6.736 1.00 0.00 H new ATOM 319 N GLU A 21 -4.589 -16.350 -14.645 1.00 0.00 N ATOM 320 CA GLU A 21 -5.138 -16.928 -15.901 1.00 0.00 C ATOM 321 C GLU A 21 -5.190 -18.445 -15.763 1.00 0.00 C ATOM 322 O GLU A 21 -6.247 -19.046 -15.763 1.00 0.00 O ATOM 323 CB GLU A 21 -4.241 -16.548 -17.080 1.00 0.00 C ATOM 324 CG GLU A 21 -4.305 -15.037 -17.305 1.00 0.00 C ATOM 325 CD GLU A 21 -2.908 -14.511 -17.637 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.449 -14.763 -18.740 1.00 0.00 O ATOM 327 OE2 GLU A 21 -2.320 -13.869 -16.783 1.00 0.00 O ATOM 0 H GLU A 21 -3.595 -16.121 -14.668 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.140 -16.538 -16.079 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.214 -16.853 -16.882 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.562 -17.074 -17.979 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.994 -14.809 -18.118 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.689 -14.542 -16.413 1.00 0.00 H new ATOM 334 N SER A 22 -4.056 -19.069 -15.633 1.00 0.00 N ATOM 335 CA SER A 22 -4.036 -20.548 -15.478 1.00 0.00 C ATOM 336 C SER A 22 -4.685 -20.917 -14.144 1.00 0.00 C ATOM 337 O SER A 22 -4.961 -22.069 -13.872 1.00 0.00 O ATOM 338 CB SER A 22 -2.590 -21.046 -15.503 1.00 0.00 C ATOM 339 OG SER A 22 -2.054 -20.866 -16.807 1.00 0.00 O ATOM 0 H SER A 22 -3.141 -18.619 -15.627 1.00 0.00 H new ATOM 0 HA SER A 22 -4.587 -21.013 -16.295 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.992 -20.500 -14.773 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.551 -22.099 -15.223 1.00 0.00 H new ATOM 0 HG SER A 22 -1.127 -21.183 -16.826 1.00 0.00 H new ATOM 345 N ILE A 23 -4.939 -19.943 -13.310 1.00 0.00 N ATOM 346 CA ILE A 23 -5.578 -20.229 -11.998 1.00 0.00 C ATOM 347 C ILE A 23 -7.094 -20.171 -12.169 1.00 0.00 C ATOM 348 O ILE A 23 -7.818 -21.029 -11.706 1.00 0.00 O ATOM 349 CB ILE A 23 -5.134 -19.173 -10.974 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.783 -19.578 -10.380 1.00 0.00 C ATOM 351 CG2 ILE A 23 -6.165 -19.060 -9.845 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.267 -18.458 -9.474 1.00 0.00 C ATOM 0 H ILE A 23 -4.730 -18.960 -13.484 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.283 -21.217 -11.645 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.048 -18.210 -11.477 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.886 -20.502 -9.811 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.067 -19.774 -11.178 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.837 -18.308 -9.127 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.129 -18.769 -10.261 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.262 -20.023 -9.343 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.305 -18.746 -9.051 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.148 -17.544 -10.057 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.980 -18.284 -8.668 1.00 0.00 H new ATOM 364 N LYS A 24 -7.580 -19.150 -12.817 1.00 0.00 N ATOM 365 CA LYS A 24 -9.040 -19.018 -13.000 1.00 0.00 C ATOM 366 C LYS A 24 -9.528 -20.029 -14.042 1.00 0.00 C ATOM 367 O LYS A 24 -10.699 -20.344 -14.113 1.00 0.00 O ATOM 368 CB LYS A 24 -9.331 -17.603 -13.482 1.00 0.00 C ATOM 369 CG LYS A 24 -9.349 -16.652 -12.285 1.00 0.00 C ATOM 370 CD LYS A 24 -10.635 -16.860 -11.483 1.00 0.00 C ATOM 371 CE LYS A 24 -11.272 -15.502 -11.186 1.00 0.00 C ATOM 372 NZ LYS A 24 -11.667 -14.847 -12.465 1.00 0.00 N ATOM 0 H LYS A 24 -7.022 -18.401 -13.227 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.556 -19.212 -12.059 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.573 -17.288 -14.199 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.290 -17.573 -13.999 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.480 -16.832 -11.652 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.285 -15.619 -12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.330 -17.485 -12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.416 -17.383 -10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.145 -15.630 -10.546 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.569 -14.870 -10.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.525 -14.279 -12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.896 -14.229 -12.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.855 -15.575 -13.184 1.00 0.00 H new ATOM 386 N ARG A 25 -8.641 -20.535 -14.857 1.00 0.00 N ATOM 387 CA ARG A 25 -9.059 -21.516 -15.897 1.00 0.00 C ATOM 388 C ARG A 25 -8.850 -22.942 -15.381 1.00 0.00 C ATOM 389 O ARG A 25 -9.791 -23.686 -15.188 1.00 0.00 O ATOM 390 CB ARG A 25 -8.223 -21.305 -17.162 1.00 0.00 C ATOM 391 CG ARG A 25 -8.910 -20.275 -18.064 1.00 0.00 C ATOM 392 CD ARG A 25 -8.181 -20.175 -19.401 1.00 0.00 C ATOM 393 NE ARG A 25 -7.454 -21.445 -19.684 1.00 0.00 N ATOM 394 CZ ARG A 25 -7.814 -22.192 -20.692 1.00 0.00 C ATOM 395 NH1 ARG A 25 -8.252 -21.640 -21.790 1.00 0.00 N ATOM 396 NH2 ARG A 25 -7.735 -23.492 -20.601 1.00 0.00 N ATOM 0 H ARG A 25 -7.646 -20.311 -14.847 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.114 -21.368 -16.126 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.223 -20.962 -16.897 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.105 -22.249 -17.694 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.949 -20.561 -18.229 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.921 -19.301 -17.574 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.895 -19.970 -20.199 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.479 -19.342 -19.380 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.675 -21.730 -19.090 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.313 -20.624 -21.861 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.533 -22.224 -22.577 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.392 -23.923 -19.743 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.016 -24.076 -21.388 1.00 0.00 H new ATOM 410 N GLU A 26 -7.624 -23.331 -15.165 1.00 0.00 N ATOM 411 CA GLU A 26 -7.355 -24.712 -14.669 1.00 0.00 C ATOM 412 C GLU A 26 -8.292 -25.039 -13.503 1.00 0.00 C ATOM 413 O GLU A 26 -8.633 -26.181 -13.273 1.00 0.00 O ATOM 414 CB GLU A 26 -5.902 -24.810 -14.197 1.00 0.00 C ATOM 415 CG GLU A 26 -4.963 -24.506 -15.367 1.00 0.00 C ATOM 416 CD GLU A 26 -3.531 -24.878 -14.982 1.00 0.00 C ATOM 417 OE1 GLU A 26 -3.292 -25.094 -13.804 1.00 0.00 O ATOM 418 OE2 GLU A 26 -2.697 -24.940 -15.869 1.00 0.00 O ATOM 0 H GLU A 26 -6.796 -22.753 -15.310 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.527 -25.423 -15.477 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.725 -24.107 -13.383 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.702 -25.808 -13.806 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.271 -25.067 -16.249 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.018 -23.449 -15.626 1.00 0.00 H new ATOM 425 N ASN A 27 -8.708 -24.048 -12.764 1.00 0.00 N ATOM 426 CA ASN A 27 -9.618 -24.311 -11.612 1.00 0.00 C ATOM 427 C ASN A 27 -11.073 -24.321 -12.092 1.00 0.00 C ATOM 428 O ASN A 27 -11.433 -23.597 -13.000 1.00 0.00 O ATOM 429 CB ASN A 27 -9.439 -23.220 -10.554 1.00 0.00 C ATOM 430 CG ASN A 27 -7.981 -23.181 -10.095 1.00 0.00 C ATOM 431 OD1 ASN A 27 -7.253 -24.139 -10.265 1.00 0.00 O ATOM 432 ND2 ASN A 27 -7.522 -22.106 -9.516 1.00 0.00 N ATOM 0 H ASN A 27 -8.458 -23.069 -12.907 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.374 -25.281 -11.179 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.727 -22.252 -10.964 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.093 -23.414 -9.704 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.551 -22.069 -9.205 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.134 -21.302 -9.374 1.00 0.00 H new ATOM 439 N PRO A 28 -11.865 -25.145 -11.456 1.00 0.00 N ATOM 440 CA PRO A 28 -13.292 -25.286 -11.777 1.00 0.00 C ATOM 441 C PRO A 28 -14.093 -24.124 -11.193 1.00 0.00 C ATOM 442 O PRO A 28 -14.810 -24.288 -10.225 1.00 0.00 O ATOM 443 CB PRO A 28 -13.688 -26.594 -11.114 1.00 0.00 C ATOM 444 CG PRO A 28 -12.652 -26.851 -10.013 1.00 0.00 C ATOM 445 CD PRO A 28 -11.411 -26.016 -10.358 1.00 0.00 C ATOM 0 HA PRO A 28 -13.484 -25.281 -12.850 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.692 -26.529 -10.695 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.697 -27.409 -11.837 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.048 -26.568 -9.038 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.401 -27.910 -9.960 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.070 -25.434 -9.502 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.578 -26.647 -10.667 1.00 0.00 H new ATOM 453 N GLY A 29 -13.971 -22.950 -11.754 1.00 0.00 N ATOM 454 CA GLY A 29 -14.723 -21.790 -11.198 1.00 0.00 C ATOM 455 C GLY A 29 -14.569 -21.813 -9.679 1.00 0.00 C ATOM 456 O GLY A 29 -15.426 -21.360 -8.946 1.00 0.00 O ATOM 0 H GLY A 29 -13.388 -22.746 -12.566 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.338 -20.855 -11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.775 -21.850 -11.475 1.00 0.00 H new ATOM 460 N ILE A 30 -13.478 -22.360 -9.213 1.00 0.00 N ATOM 461 CA ILE A 30 -13.230 -22.453 -7.753 1.00 0.00 C ATOM 462 C ILE A 30 -13.735 -21.195 -7.042 1.00 0.00 C ATOM 463 O ILE A 30 -13.808 -20.128 -7.619 1.00 0.00 O ATOM 464 CB ILE A 30 -11.736 -22.611 -7.535 1.00 0.00 C ATOM 465 CG1 ILE A 30 -11.439 -22.770 -6.043 1.00 0.00 C ATOM 466 CG2 ILE A 30 -11.047 -21.373 -8.067 1.00 0.00 C ATOM 467 CD1 ILE A 30 -9.936 -22.978 -5.845 1.00 0.00 C ATOM 0 H ILE A 30 -12.738 -22.752 -9.796 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.764 -23.309 -7.341 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.373 -23.497 -8.055 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.770 -21.886 -5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.991 -23.618 -5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.971 -21.464 -7.921 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.261 -21.266 -9.130 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.412 -20.496 -7.533 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.721 -23.092 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.620 -23.875 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.395 -22.116 -6.234 1.00 0.00 H new ATOM 479 N LYS A 31 -14.082 -21.315 -5.790 1.00 0.00 N ATOM 480 CA LYS A 31 -14.583 -20.130 -5.033 1.00 0.00 C ATOM 481 C LYS A 31 -13.436 -19.141 -4.814 1.00 0.00 C ATOM 482 O LYS A 31 -12.277 -19.506 -4.834 1.00 0.00 O ATOM 483 CB LYS A 31 -15.130 -20.586 -3.679 1.00 0.00 C ATOM 484 CG LYS A 31 -16.655 -20.463 -3.674 1.00 0.00 C ATOM 485 CD LYS A 31 -17.241 -21.356 -4.770 1.00 0.00 C ATOM 486 CE LYS A 31 -17.603 -22.719 -4.177 1.00 0.00 C ATOM 487 NZ LYS A 31 -17.367 -23.782 -5.196 1.00 0.00 N ATOM 0 H LYS A 31 -14.041 -22.183 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.376 -19.644 -5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.838 -21.618 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.703 -19.979 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.051 -20.755 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.948 -19.426 -3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.126 -20.888 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.520 -21.479 -5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.002 -22.912 -3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.647 -22.726 -3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.613 -24.709 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.958 -23.599 -6.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.365 -23.780 -5.474 1.00 0.00 H new ATOM 501 N VAL A 32 -13.751 -17.894 -4.600 1.00 0.00 N ATOM 502 CA VAL A 32 -12.690 -16.887 -4.377 1.00 0.00 C ATOM 503 C VAL A 32 -12.055 -17.126 -3.003 1.00 0.00 C ATOM 504 O VAL A 32 -10.945 -16.706 -2.739 1.00 0.00 O ATOM 505 CB VAL A 32 -13.300 -15.485 -4.459 1.00 0.00 C ATOM 506 CG1 VAL A 32 -14.705 -15.515 -3.891 1.00 0.00 C ATOM 507 CG2 VAL A 32 -12.465 -14.510 -3.650 1.00 0.00 C ATOM 0 H VAL A 32 -14.704 -17.532 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.917 -16.974 -5.140 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.324 -15.167 -5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.142 -14.518 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.315 -16.212 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -14.670 -15.837 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.905 -13.515 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.439 -14.830 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.450 -14.484 -4.047 1.00 0.00 H new ATOM 517 N THR A 33 -12.748 -17.800 -2.127 1.00 0.00 N ATOM 518 CA THR A 33 -12.183 -18.067 -0.776 1.00 0.00 C ATOM 519 C THR A 33 -11.176 -19.215 -0.864 1.00 0.00 C ATOM 520 O THR A 33 -10.455 -19.493 0.073 1.00 0.00 O ATOM 521 CB THR A 33 -13.311 -18.450 0.186 1.00 0.00 C ATOM 522 OG1 THR A 33 -14.483 -17.720 -0.148 1.00 0.00 O ATOM 523 CG2 THR A 33 -12.894 -18.124 1.620 1.00 0.00 C ATOM 0 H THR A 33 -13.682 -18.177 -2.289 1.00 0.00 H new ATOM 0 HA THR A 33 -11.683 -17.171 -0.408 1.00 0.00 H new ATOM 0 HB THR A 33 -13.513 -19.518 0.104 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.207 -17.965 0.466 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.698 -18.397 2.304 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.995 -18.686 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.691 -17.056 1.706 1.00 0.00 H new ATOM 531 N GLU A 34 -11.122 -19.885 -1.983 1.00 0.00 N ATOM 532 CA GLU A 34 -10.161 -21.014 -2.129 1.00 0.00 C ATOM 533 C GLU A 34 -9.170 -20.703 -3.254 1.00 0.00 C ATOM 534 O GLU A 34 -8.178 -21.384 -3.423 1.00 0.00 O ATOM 535 CB GLU A 34 -10.929 -22.296 -2.462 1.00 0.00 C ATOM 536 CG GLU A 34 -11.633 -22.811 -1.206 1.00 0.00 C ATOM 537 CD GLU A 34 -11.573 -24.339 -1.174 1.00 0.00 C ATOM 538 OE1 GLU A 34 -10.803 -24.899 -1.937 1.00 0.00 O ATOM 539 OE2 GLU A 34 -12.298 -24.924 -0.386 1.00 0.00 O ATOM 0 H GLU A 34 -11.702 -19.699 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.615 -21.149 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.660 -22.101 -3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.245 -23.053 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.157 -22.400 -0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.671 -22.477 -1.196 1.00 0.00 H new ATOM 546 N VAL A 35 -9.428 -19.680 -4.023 1.00 0.00 N ATOM 547 CA VAL A 35 -8.497 -19.330 -5.133 1.00 0.00 C ATOM 548 C VAL A 35 -7.138 -18.938 -4.550 1.00 0.00 C ATOM 549 O VAL A 35 -6.101 -19.249 -5.102 1.00 0.00 O ATOM 550 CB VAL A 35 -9.079 -18.161 -5.931 1.00 0.00 C ATOM 551 CG1 VAL A 35 -7.985 -17.507 -6.780 1.00 0.00 C ATOM 552 CG2 VAL A 35 -10.188 -18.680 -6.849 1.00 0.00 C ATOM 0 H VAL A 35 -10.242 -19.072 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.370 -20.188 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.483 -17.422 -5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.410 -16.676 -7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.192 -17.137 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.573 -18.242 -7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.606 -17.851 -7.420 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.776 -19.421 -7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.973 -19.139 -6.248 1.00 0.00 H new ATOM 562 N ALA A 36 -7.136 -18.259 -3.439 1.00 0.00 N ATOM 563 CA ALA A 36 -5.847 -17.849 -2.818 1.00 0.00 C ATOM 564 C ALA A 36 -5.140 -19.084 -2.255 1.00 0.00 C ATOM 565 O ALA A 36 -3.927 -19.152 -2.211 1.00 0.00 O ATOM 566 CB ALA A 36 -6.118 -16.855 -1.687 1.00 0.00 C ATOM 0 H ALA A 36 -7.973 -17.969 -2.933 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.214 -17.378 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.174 -16.555 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.623 -15.976 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.750 -17.325 -0.934 1.00 0.00 H new ATOM 572 N LYS A 37 -5.890 -20.063 -1.828 1.00 0.00 N ATOM 573 CA LYS A 37 -5.267 -21.292 -1.271 1.00 0.00 C ATOM 574 C LYS A 37 -4.489 -22.011 -2.376 1.00 0.00 C ATOM 575 O LYS A 37 -3.345 -22.386 -2.205 1.00 0.00 O ATOM 576 CB LYS A 37 -6.374 -22.187 -0.720 1.00 0.00 C ATOM 577 CG LYS A 37 -5.941 -23.659 -0.730 1.00 0.00 C ATOM 578 CD LYS A 37 -4.687 -23.830 0.129 1.00 0.00 C ATOM 579 CE LYS A 37 -4.165 -25.261 -0.011 1.00 0.00 C ATOM 580 NZ LYS A 37 -3.059 -25.483 0.961 1.00 0.00 N ATOM 0 H LYS A 37 -6.910 -20.062 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.573 -21.042 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.621 -21.883 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.277 -22.065 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.745 -24.288 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.742 -23.983 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.921 -23.120 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.916 -23.615 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.971 -25.973 0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.810 -25.432 -1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.704 -26.456 0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.288 -24.812 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.412 -25.336 1.928 1.00 0.00 H new ATOM 594 N ARG A 38 -5.104 -22.204 -3.508 1.00 0.00 N ATOM 595 CA ARG A 38 -4.411 -22.894 -4.630 1.00 0.00 C ATOM 596 C ARG A 38 -3.305 -21.990 -5.182 1.00 0.00 C ATOM 597 O ARG A 38 -2.404 -22.441 -5.862 1.00 0.00 O ATOM 598 CB ARG A 38 -5.427 -23.190 -5.736 1.00 0.00 C ATOM 599 CG ARG A 38 -5.294 -24.647 -6.178 1.00 0.00 C ATOM 600 CD ARG A 38 -3.937 -24.850 -6.854 1.00 0.00 C ATOM 601 NE ARG A 38 -3.965 -24.244 -8.215 1.00 0.00 N ATOM 602 CZ ARG A 38 -3.032 -24.535 -9.077 1.00 0.00 C ATOM 603 NH1 ARG A 38 -1.783 -24.564 -8.701 1.00 0.00 N ATOM 604 NH2 ARG A 38 -3.346 -24.799 -10.316 1.00 0.00 N ATOM 0 H ARG A 38 -6.061 -21.912 -3.705 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.970 -23.825 -4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.438 -23.000 -5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.261 -22.526 -6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.387 -25.310 -5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.098 -24.905 -6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.149 -24.392 -6.256 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.708 -25.914 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.714 -23.601 -8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.537 -24.359 -7.733 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.053 -24.792 -9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.322 -24.778 -10.610 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.615 -25.027 -10.990 1.00 0.00 H new ATOM 618 N GLY A 39 -3.366 -20.719 -4.892 1.00 0.00 N ATOM 619 CA GLY A 39 -2.318 -19.789 -5.399 1.00 0.00 C ATOM 620 C GLY A 39 -1.139 -19.768 -4.424 1.00 0.00 C ATOM 621 O GLY A 39 -0.068 -19.289 -4.739 1.00 0.00 O ATOM 0 H GLY A 39 -4.096 -20.285 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.982 -20.106 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.730 -18.786 -5.510 1.00 0.00 H new ATOM 625 N GLY A 40 -1.329 -20.286 -3.242 1.00 0.00 N ATOM 626 CA GLY A 40 -0.219 -20.298 -2.247 1.00 0.00 C ATOM 627 C GLY A 40 0.569 -21.602 -2.378 1.00 0.00 C ATOM 628 O GLY A 40 1.721 -21.683 -2.003 1.00 0.00 O ATOM 0 H GLY A 40 -2.204 -20.701 -2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.439 -19.445 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.620 -20.203 -1.238 1.00 0.00 H new ATOM 632 N GLU A 41 -0.045 -22.625 -2.906 1.00 0.00 N ATOM 633 CA GLU A 41 0.668 -23.922 -3.061 1.00 0.00 C ATOM 634 C GLU A 41 1.821 -23.759 -4.056 1.00 0.00 C ATOM 635 O GLU A 41 2.929 -24.194 -3.816 1.00 0.00 O ATOM 636 CB GLU A 41 -0.309 -24.984 -3.563 1.00 0.00 C ATOM 637 CG GLU A 41 -0.546 -24.814 -5.067 1.00 0.00 C ATOM 638 CD GLU A 41 -1.535 -25.877 -5.549 1.00 0.00 C ATOM 639 OE1 GLU A 41 -2.600 -25.976 -4.962 1.00 0.00 O ATOM 640 OE2 GLU A 41 -1.211 -26.572 -6.497 1.00 0.00 O ATOM 0 H GLU A 41 -1.010 -22.618 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 41 1.071 -24.234 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.087 -25.979 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.254 -24.902 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.936 -23.818 -5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.396 -24.906 -5.607 1.00 0.00 H new ATOM 647 N LEU A 42 1.567 -23.131 -5.172 1.00 0.00 N ATOM 648 CA LEU A 42 2.643 -22.937 -6.181 1.00 0.00 C ATOM 649 C LEU A 42 3.610 -21.859 -5.690 1.00 0.00 C ATOM 650 O LEU A 42 4.809 -21.961 -5.864 1.00 0.00 O ATOM 651 CB LEU A 42 2.018 -22.496 -7.504 1.00 0.00 C ATOM 652 CG LEU A 42 1.555 -23.725 -8.284 1.00 0.00 C ATOM 653 CD1 LEU A 42 0.963 -23.285 -9.624 1.00 0.00 C ATOM 654 CD2 LEU A 42 2.748 -24.650 -8.532 1.00 0.00 C ATOM 0 H LEU A 42 0.659 -22.744 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 42 3.184 -23.872 -6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.174 -21.832 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.743 -21.932 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 42 0.797 -24.256 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.632 -24.162 -10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.113 -22.626 -9.447 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.721 -22.754 -10.200 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.419 -25.527 -9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.507 -24.119 -9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.170 -24.963 -7.577 1.00 0.00 H new ATOM 666 N TRP A 43 3.099 -20.827 -5.081 1.00 0.00 N ATOM 667 CA TRP A 43 3.985 -19.740 -4.582 1.00 0.00 C ATOM 668 C TRP A 43 4.853 -20.269 -3.439 1.00 0.00 C ATOM 669 O TRP A 43 5.837 -19.663 -3.062 1.00 0.00 O ATOM 670 CB TRP A 43 3.133 -18.578 -4.076 1.00 0.00 C ATOM 671 CG TRP A 43 4.017 -17.557 -3.439 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.244 -17.445 -2.110 1.00 0.00 C ATOM 673 CD2 TRP A 43 4.797 -16.506 -4.079 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.112 -16.391 -1.893 1.00 0.00 N ATOM 675 CE2 TRP A 43 5.481 -15.780 -3.076 1.00 0.00 C ATOM 676 CE3 TRP A 43 4.974 -16.117 -5.418 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.313 -14.705 -3.392 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.810 -15.036 -5.739 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.478 -14.331 -4.728 1.00 0.00 C ATOM 0 H TRP A 43 2.104 -20.689 -4.907 1.00 0.00 H new ATOM 0 HA TRP A 43 4.625 -19.396 -5.394 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.579 -18.132 -4.902 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.397 -18.938 -3.357 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.817 -18.076 -1.344 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.440 -16.100 -0.972 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.464 -16.653 -6.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.826 -14.166 -2.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.939 -14.746 -6.771 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.119 -13.500 -4.982 1.00 0.00 H new ATOM 690 N ARG A 44 4.499 -21.395 -2.880 1.00 0.00 N ATOM 691 CA ARG A 44 5.309 -21.953 -1.761 1.00 0.00 C ATOM 692 C ARG A 44 6.711 -22.287 -2.272 1.00 0.00 C ATOM 693 O ARG A 44 7.694 -21.740 -1.816 1.00 0.00 O ATOM 694 CB ARG A 44 4.643 -23.221 -1.221 1.00 0.00 C ATOM 695 CG ARG A 44 4.378 -23.056 0.277 1.00 0.00 C ATOM 696 CD ARG A 44 4.673 -24.373 0.998 1.00 0.00 C ATOM 697 NE ARG A 44 3.392 -25.070 1.300 1.00 0.00 N ATOM 698 CZ ARG A 44 2.989 -26.049 0.540 1.00 0.00 C ATOM 699 NH1 ARG A 44 2.522 -25.799 -0.654 1.00 0.00 N ATOM 700 NH2 ARG A 44 3.050 -27.278 0.972 1.00 0.00 N ATOM 0 H ARG A 44 3.687 -21.950 -3.149 1.00 0.00 H new ATOM 0 HA ARG A 44 5.377 -21.217 -0.960 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.708 -23.407 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.285 -24.085 -1.395 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.003 -22.260 0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.341 -22.763 0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.307 -25.006 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.221 -24.180 1.920 1.00 0.00 H new ATOM 0 HE ARG A 44 2.830 -24.781 2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.473 -24.838 -0.991 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.207 -26.565 -1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.413 -27.473 1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.734 -28.044 0.377 1.00 0.00 H new ATOM 714 N ALA A 45 6.812 -23.178 -3.222 1.00 0.00 N ATOM 715 CA ALA A 45 8.154 -23.533 -3.765 1.00 0.00 C ATOM 716 C ALA A 45 8.814 -22.268 -4.316 1.00 0.00 C ATOM 717 O ALA A 45 10.022 -22.155 -4.357 1.00 0.00 O ATOM 718 CB ALA A 45 7.995 -24.564 -4.885 1.00 0.00 C ATOM 0 H ALA A 45 6.026 -23.673 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 45 8.775 -23.958 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.976 -24.824 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.515 -25.459 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.381 -24.144 -5.681 1.00 0.00 H new ATOM 724 N MET A 46 8.014 -21.325 -4.744 1.00 0.00 N ATOM 725 CA MET A 46 8.551 -20.045 -5.305 1.00 0.00 C ATOM 726 C MET A 46 9.884 -19.650 -4.651 1.00 0.00 C ATOM 727 O MET A 46 10.742 -19.107 -5.307 1.00 0.00 O ATOM 728 CB MET A 46 7.540 -18.934 -5.050 1.00 0.00 C ATOM 729 CG MET A 46 7.877 -17.725 -5.925 1.00 0.00 C ATOM 730 SD MET A 46 7.828 -18.209 -7.670 1.00 0.00 S ATOM 731 CE MET A 46 6.463 -17.133 -8.168 1.00 0.00 C ATOM 0 H MET A 46 6.996 -21.388 -4.729 1.00 0.00 H new ATOM 0 HA MET A 46 8.721 -20.190 -6.372 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.533 -19.287 -5.271 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.554 -18.650 -3.998 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.166 -16.920 -5.740 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.865 -17.343 -5.670 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.430 -17.066 -9.255 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.523 -17.545 -7.801 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.612 -16.138 -7.748 1.00 0.00 H new ATOM 741 N LYS A 47 10.056 -19.940 -3.378 1.00 0.00 N ATOM 742 CA LYS A 47 11.316 -19.621 -2.649 1.00 0.00 C ATOM 743 C LYS A 47 12.105 -18.468 -3.290 1.00 0.00 C ATOM 744 O LYS A 47 12.067 -17.351 -2.815 1.00 0.00 O ATOM 745 CB LYS A 47 12.125 -20.897 -2.627 1.00 0.00 C ATOM 746 CG LYS A 47 13.058 -20.907 -1.414 1.00 0.00 C ATOM 747 CD LYS A 47 12.264 -21.272 -0.158 1.00 0.00 C ATOM 748 CE LYS A 47 13.093 -20.937 1.083 1.00 0.00 C ATOM 749 NZ LYS A 47 12.185 -20.512 2.185 1.00 0.00 N ATOM 0 H LYS A 47 9.349 -20.399 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 47 11.087 -19.273 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.459 -21.759 -2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.707 -20.983 -3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.864 -21.625 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.522 -19.928 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.322 -20.724 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.016 -22.333 -0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.674 -21.806 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.804 -20.142 0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.747 -20.284 3.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.649 -19.672 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.524 -21.284 2.407 1.00 0.00 H new ATOM 763 N ASP A 48 12.821 -18.715 -4.354 1.00 0.00 N ATOM 764 CA ASP A 48 13.599 -17.616 -4.989 1.00 0.00 C ATOM 765 C ASP A 48 12.657 -16.739 -5.820 1.00 0.00 C ATOM 766 O ASP A 48 12.537 -16.897 -7.018 1.00 0.00 O ATOM 767 CB ASP A 48 14.676 -18.214 -5.896 1.00 0.00 C ATOM 768 CG ASP A 48 16.058 -17.774 -5.409 1.00 0.00 C ATOM 769 OD1 ASP A 48 16.119 -16.836 -4.631 1.00 0.00 O ATOM 770 OD2 ASP A 48 17.031 -18.382 -5.822 1.00 0.00 O ATOM 0 H ASP A 48 12.900 -19.625 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 48 14.071 -17.009 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.607 -19.302 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.521 -17.889 -6.925 1.00 0.00 H new ATOM 775 N LYS A 49 11.992 -15.813 -5.182 1.00 0.00 N ATOM 776 CA LYS A 49 11.056 -14.914 -5.918 1.00 0.00 C ATOM 777 C LYS A 49 11.821 -13.688 -6.416 1.00 0.00 C ATOM 778 O LYS A 49 11.238 -12.680 -6.762 1.00 0.00 O ATOM 779 CB LYS A 49 9.934 -14.462 -4.979 1.00 0.00 C ATOM 780 CG LYS A 49 9.652 -15.557 -3.948 1.00 0.00 C ATOM 781 CD LYS A 49 10.242 -15.150 -2.596 1.00 0.00 C ATOM 782 CE LYS A 49 9.519 -15.900 -1.477 1.00 0.00 C ATOM 783 NZ LYS A 49 9.336 -14.993 -0.310 1.00 0.00 N ATOM 0 H LYS A 49 12.057 -15.640 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 49 10.628 -15.450 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.219 -13.539 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.032 -14.247 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.578 -15.715 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.086 -16.501 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.308 -15.376 -2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.140 -14.074 -2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.551 -16.256 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.094 -16.778 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.844 -15.502 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.265 -14.674 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.770 -14.169 -0.596 1.00 0.00 H new ATOM 797 N SER A 50 13.125 -13.766 -6.458 1.00 0.00 N ATOM 798 CA SER A 50 13.926 -12.604 -6.937 1.00 0.00 C ATOM 799 C SER A 50 13.267 -12.017 -8.187 1.00 0.00 C ATOM 800 O SER A 50 13.413 -10.847 -8.488 1.00 0.00 O ATOM 801 CB SER A 50 15.345 -13.065 -7.273 1.00 0.00 C ATOM 802 OG SER A 50 15.858 -12.274 -8.336 1.00 0.00 O ATOM 0 H SER A 50 13.668 -14.584 -6.181 1.00 0.00 H new ATOM 0 HA SER A 50 13.970 -11.844 -6.157 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.986 -12.975 -6.396 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.340 -14.117 -7.557 1.00 0.00 H new ATOM 0 HG SER A 50 16.768 -12.567 -8.552 1.00 0.00 H new ATOM 808 N GLU A 51 12.535 -12.819 -8.912 1.00 0.00 N ATOM 809 CA GLU A 51 11.860 -12.312 -10.134 1.00 0.00 C ATOM 810 C GLU A 51 10.939 -11.155 -9.761 1.00 0.00 C ATOM 811 O GLU A 51 11.125 -10.024 -10.173 1.00 0.00 O ATOM 812 CB GLU A 51 11.046 -13.430 -10.752 1.00 0.00 C ATOM 813 CG GLU A 51 10.067 -12.860 -11.782 1.00 0.00 C ATOM 814 CD GLU A 51 10.816 -11.916 -12.724 1.00 0.00 C ATOM 815 OE1 GLU A 51 11.779 -12.358 -13.331 1.00 0.00 O ATOM 816 OE2 GLU A 51 10.418 -10.768 -12.823 1.00 0.00 O ATOM 0 H GLU A 51 12.377 -13.806 -8.707 1.00 0.00 H new ATOM 0 HA GLU A 51 12.605 -11.964 -10.849 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.709 -14.152 -11.229 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.499 -13.964 -9.975 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.607 -13.669 -12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.262 -12.326 -11.278 1.00 0.00 H new ATOM 823 N TRP A 52 9.941 -11.442 -8.979 1.00 0.00 N ATOM 824 CA TRP A 52 8.988 -10.390 -8.563 1.00 0.00 C ATOM 825 C TRP A 52 9.672 -9.419 -7.619 1.00 0.00 C ATOM 826 O TRP A 52 9.885 -8.287 -7.958 1.00 0.00 O ATOM 827 CB TRP A 52 7.823 -11.041 -7.837 1.00 0.00 C ATOM 828 CG TRP A 52 7.342 -12.188 -8.627 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.673 -13.452 -8.385 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.456 -12.195 -9.766 1.00 0.00 C ATOM 831 NE1 TRP A 52 7.040 -14.264 -9.306 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.270 -13.528 -10.184 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.800 -11.180 -10.466 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.451 -13.846 -11.269 1.00 0.00 C ATOM 835 CZ3 TRP A 52 4.977 -11.485 -11.552 1.00 0.00 C ATOM 836 CH2 TRP A 52 4.798 -12.817 -11.956 1.00 0.00 C ATOM 0 H TRP A 52 9.745 -12.372 -8.608 1.00 0.00 H new ATOM 0 HA TRP A 52 8.635 -9.853 -9.443 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.135 -11.371 -6.846 1.00 0.00 H new ATOM 0 HB3 TRP A 52 7.019 -10.319 -7.694 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.330 -13.789 -7.597 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.130 -15.280 -9.334 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.930 -10.151 -10.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.323 -14.874 -11.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.475 -10.691 -12.084 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.158 -13.047 -12.795 1.00 0.00 H new ATOM 847 N GLU A 53 10.000 -9.863 -6.434 1.00 0.00 N ATOM 848 CA GLU A 53 10.659 -8.964 -5.430 1.00 0.00 C ATOM 849 C GLU A 53 11.461 -7.861 -6.126 1.00 0.00 C ATOM 850 O GLU A 53 11.397 -6.708 -5.747 1.00 0.00 O ATOM 851 CB GLU A 53 11.587 -9.788 -4.534 1.00 0.00 C ATOM 852 CG GLU A 53 10.807 -10.288 -3.318 1.00 0.00 C ATOM 853 CD GLU A 53 11.575 -11.433 -2.654 1.00 0.00 C ATOM 854 OE1 GLU A 53 12.652 -11.753 -3.129 1.00 0.00 O ATOM 855 OE2 GLU A 53 11.071 -11.970 -1.681 1.00 0.00 O ATOM 0 H GLU A 53 9.840 -10.818 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 53 9.883 -8.495 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.993 -10.632 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.433 -9.181 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.660 -9.475 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.817 -10.628 -3.622 1.00 0.00 H new ATOM 862 N ALA A 54 12.199 -8.189 -7.148 1.00 0.00 N ATOM 863 CA ALA A 54 12.970 -7.133 -7.858 1.00 0.00 C ATOM 864 C ALA A 54 11.985 -6.220 -8.587 1.00 0.00 C ATOM 865 O ALA A 54 11.995 -5.016 -8.427 1.00 0.00 O ATOM 866 CB ALA A 54 13.917 -7.782 -8.870 1.00 0.00 C ATOM 0 H ALA A 54 12.301 -9.133 -7.520 1.00 0.00 H new ATOM 0 HA ALA A 54 13.557 -6.554 -7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.481 -7.007 -9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.607 -8.446 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.338 -8.356 -9.594 1.00 0.00 H new ATOM 872 N LYS A 55 11.133 -6.796 -9.386 1.00 0.00 N ATOM 873 CA LYS A 55 10.131 -5.987 -10.139 1.00 0.00 C ATOM 874 C LYS A 55 9.319 -5.101 -9.182 1.00 0.00 C ATOM 875 O LYS A 55 9.011 -3.968 -9.492 1.00 0.00 O ATOM 876 CB LYS A 55 9.184 -6.933 -10.879 1.00 0.00 C ATOM 877 CG LYS A 55 8.262 -6.124 -11.793 1.00 0.00 C ATOM 878 CD LYS A 55 7.042 -5.654 -11.000 1.00 0.00 C ATOM 879 CE LYS A 55 5.945 -5.214 -11.969 1.00 0.00 C ATOM 880 NZ LYS A 55 5.730 -3.745 -11.838 1.00 0.00 N ATOM 0 H LYS A 55 11.086 -7.801 -9.552 1.00 0.00 H new ATOM 0 HA LYS A 55 10.655 -5.345 -10.847 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.756 -7.651 -11.466 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.593 -7.505 -10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.797 -5.266 -12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.946 -6.733 -12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.677 -6.459 -10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.317 -4.827 -10.345 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.227 -5.462 -12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.020 -5.749 -11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.984 -3.443 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.443 -3.522 -10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.613 -3.244 -12.062 1.00 0.00 H new ATOM 894 N ALA A 56 8.966 -5.601 -8.028 1.00 0.00 N ATOM 895 CA ALA A 56 8.174 -4.777 -7.075 1.00 0.00 C ATOM 896 C ALA A 56 9.006 -3.564 -6.661 1.00 0.00 C ATOM 897 O ALA A 56 8.491 -2.484 -6.445 1.00 0.00 O ATOM 898 CB ALA A 56 7.832 -5.609 -5.838 1.00 0.00 C ATOM 0 H ALA A 56 9.192 -6.542 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 56 7.250 -4.448 -7.551 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.252 -5.004 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.248 -6.480 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.752 -5.937 -5.354 1.00 0.00 H new ATOM 904 N ALA A 57 10.296 -3.737 -6.556 1.00 0.00 N ATOM 905 CA ALA A 57 11.174 -2.602 -6.164 1.00 0.00 C ATOM 906 C ALA A 57 11.041 -1.484 -7.199 1.00 0.00 C ATOM 907 O ALA A 57 10.874 -0.329 -6.861 1.00 0.00 O ATOM 908 CB ALA A 57 12.626 -3.079 -6.113 1.00 0.00 C ATOM 0 H ALA A 57 10.779 -4.619 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 57 10.879 -2.230 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.272 -2.249 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.720 -3.882 -5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.923 -3.447 -7.095 1.00 0.00 H new ATOM 914 N LYS A 58 11.113 -1.819 -8.458 1.00 0.00 N ATOM 915 CA LYS A 58 10.990 -0.775 -9.513 1.00 0.00 C ATOM 916 C LYS A 58 9.713 0.034 -9.278 1.00 0.00 C ATOM 917 O LYS A 58 9.747 1.245 -9.192 1.00 0.00 O ATOM 918 CB LYS A 58 10.931 -1.439 -10.891 1.00 0.00 C ATOM 919 CG LYS A 58 11.512 -0.489 -11.940 1.00 0.00 C ATOM 920 CD LYS A 58 13.018 -0.730 -12.070 1.00 0.00 C ATOM 921 CE LYS A 58 13.777 0.333 -11.272 1.00 0.00 C ATOM 922 NZ LYS A 58 14.811 0.964 -12.141 1.00 0.00 N ATOM 0 H LYS A 58 11.252 -2.770 -8.801 1.00 0.00 H new ATOM 0 HA LYS A 58 11.855 -0.112 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.492 -2.373 -10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.900 -1.689 -11.142 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.023 -0.649 -12.901 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.322 0.545 -11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.271 -1.725 -11.703 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.314 -0.693 -13.118 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.084 1.090 -10.904 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.247 -0.119 -10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.327 1.686 -11.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.478 0.237 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.351 1.409 -12.961 1.00 0.00 H new ATOM 936 N ALA A 59 8.586 -0.617 -9.159 1.00 0.00 N ATOM 937 CA ALA A 59 7.330 0.144 -8.917 1.00 0.00 C ATOM 938 C ALA A 59 7.490 0.939 -7.632 1.00 0.00 C ATOM 939 O ALA A 59 6.934 1.999 -7.477 1.00 0.00 O ATOM 940 CB ALA A 59 6.146 -0.816 -8.760 1.00 0.00 C ATOM 0 H ALA A 59 8.483 -1.630 -9.218 1.00 0.00 H new ATOM 0 HA ALA A 59 7.140 0.805 -9.762 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.235 -0.244 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.033 -1.407 -9.669 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.326 -1.481 -7.915 1.00 0.00 H new ATOM 946 N LYS A 60 8.252 0.430 -6.707 1.00 0.00 N ATOM 947 CA LYS A 60 8.457 1.134 -5.425 1.00 0.00 C ATOM 948 C LYS A 60 9.070 2.500 -5.675 1.00 0.00 C ATOM 949 O LYS A 60 8.634 3.493 -5.143 1.00 0.00 O ATOM 950 CB LYS A 60 9.416 0.303 -4.592 1.00 0.00 C ATOM 951 CG LYS A 60 8.814 0.041 -3.211 1.00 0.00 C ATOM 952 CD LYS A 60 9.452 -1.210 -2.604 1.00 0.00 C ATOM 953 CE LYS A 60 8.399 -1.991 -1.817 1.00 0.00 C ATOM 954 NZ LYS A 60 9.035 -2.623 -0.626 1.00 0.00 N ATOM 0 H LYS A 60 8.747 -0.458 -6.792 1.00 0.00 H new ATOM 0 HA LYS A 60 7.505 1.266 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.622 -0.642 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.368 0.824 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.982 0.900 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.735 -0.091 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.870 -1.836 -3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.276 -0.929 -1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.596 -1.324 -1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.949 -2.755 -2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.319 -3.154 -0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.786 -3.271 -0.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.444 -1.885 -0.018 1.00 0.00 H new ATOM 968 N ASP A 61 10.092 2.555 -6.468 1.00 0.00 N ATOM 969 CA ASP A 61 10.738 3.868 -6.739 1.00 0.00 C ATOM 970 C ASP A 61 9.794 4.746 -7.564 1.00 0.00 C ATOM 971 O ASP A 61 9.547 5.889 -7.233 1.00 0.00 O ATOM 972 CB ASP A 61 12.045 3.646 -7.507 1.00 0.00 C ATOM 973 CG ASP A 61 13.166 3.321 -6.520 1.00 0.00 C ATOM 974 OD1 ASP A 61 13.157 2.226 -5.982 1.00 0.00 O ATOM 975 OD2 ASP A 61 14.017 4.172 -6.319 1.00 0.00 O ATOM 0 H ASP A 61 10.511 1.754 -6.941 1.00 0.00 H new ATOM 0 HA ASP A 61 10.956 4.367 -5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.926 2.831 -8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.298 4.537 -8.081 1.00 0.00 H new ATOM 980 N ASP A 62 9.265 4.225 -8.633 1.00 0.00 N ATOM 981 CA ASP A 62 8.336 5.029 -9.478 1.00 0.00 C ATOM 982 C ASP A 62 7.017 5.240 -8.733 1.00 0.00 C ATOM 983 O ASP A 62 6.157 5.977 -9.168 1.00 0.00 O ATOM 984 CB ASP A 62 8.057 4.269 -10.772 1.00 0.00 C ATOM 985 CG ASP A 62 9.210 4.488 -11.753 1.00 0.00 C ATOM 986 OD1 ASP A 62 10.348 4.463 -11.314 1.00 0.00 O ATOM 987 OD2 ASP A 62 8.935 4.676 -12.927 1.00 0.00 O ATOM 0 H ASP A 62 9.435 3.274 -8.961 1.00 0.00 H new ATOM 0 HA ASP A 62 8.790 5.995 -9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.940 3.206 -10.563 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.121 4.612 -11.213 1.00 0.00 H new ATOM 992 N TYR A 63 6.844 4.577 -7.627 1.00 0.00 N ATOM 993 CA TYR A 63 5.575 4.709 -6.862 1.00 0.00 C ATOM 994 C TYR A 63 5.704 5.788 -5.784 1.00 0.00 C ATOM 995 O TYR A 63 4.850 6.636 -5.643 1.00 0.00 O ATOM 996 CB TYR A 63 5.280 3.366 -6.217 1.00 0.00 C ATOM 997 CG TYR A 63 4.172 3.498 -5.224 1.00 0.00 C ATOM 998 CD1 TYR A 63 2.881 3.806 -5.653 1.00 0.00 C ATOM 999 CD2 TYR A 63 4.434 3.278 -3.877 1.00 0.00 C ATOM 1000 CE1 TYR A 63 1.844 3.901 -4.725 1.00 0.00 C ATOM 1001 CE2 TYR A 63 3.401 3.361 -2.943 1.00 0.00 C ATOM 1002 CZ TYR A 63 2.101 3.677 -3.365 1.00 0.00 C ATOM 1003 OH TYR A 63 1.077 3.759 -2.445 1.00 0.00 O ATOM 0 H TYR A 63 7.531 3.945 -7.217 1.00 0.00 H new ATOM 0 HA TYR A 63 4.766 5.001 -7.531 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.006 2.640 -6.983 1.00 0.00 H new ATOM 0 HB3 TYR A 63 6.176 2.987 -5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.685 3.971 -6.702 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.437 3.043 -3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.845 4.147 -5.053 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.602 3.182 -1.897 1.00 0.00 H new ATOM 0 HH TYR A 63 1.427 3.575 -1.548 1.00 0.00 H new ATOM 1013 N ASP A 64 6.758 5.772 -5.022 1.00 0.00 N ATOM 1014 CA ASP A 64 6.920 6.802 -3.968 1.00 0.00 C ATOM 1015 C ASP A 64 7.222 8.134 -4.631 1.00 0.00 C ATOM 1016 O ASP A 64 6.890 9.190 -4.130 1.00 0.00 O ATOM 1017 CB ASP A 64 8.073 6.416 -3.070 1.00 0.00 C ATOM 1018 CG ASP A 64 7.875 7.028 -1.682 1.00 0.00 C ATOM 1019 OD1 ASP A 64 6.802 6.855 -1.129 1.00 0.00 O ATOM 1020 OD2 ASP A 64 8.798 7.660 -1.196 1.00 0.00 O ATOM 0 H ASP A 64 7.514 5.090 -5.085 1.00 0.00 H new ATOM 0 HA ASP A 64 6.008 6.880 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.139 5.331 -2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.013 6.763 -3.500 1.00 0.00 H new ATOM 1025 N ARG A 65 7.867 8.082 -5.757 1.00 0.00 N ATOM 1026 CA ARG A 65 8.219 9.333 -6.472 1.00 0.00 C ATOM 1027 C ARG A 65 7.057 9.790 -7.361 1.00 0.00 C ATOM 1028 O ARG A 65 6.772 10.966 -7.464 1.00 0.00 O ATOM 1029 CB ARG A 65 9.456 9.094 -7.338 1.00 0.00 C ATOM 1030 CG ARG A 65 10.121 10.433 -7.658 1.00 0.00 C ATOM 1031 CD ARG A 65 10.837 10.335 -9.005 1.00 0.00 C ATOM 1032 NE ARG A 65 12.050 11.199 -8.988 1.00 0.00 N ATOM 1033 CZ ARG A 65 12.947 11.046 -8.053 1.00 0.00 C ATOM 1034 NH1 ARG A 65 13.912 10.179 -8.208 1.00 0.00 N ATOM 1035 NH2 ARG A 65 12.881 11.761 -6.964 1.00 0.00 N ATOM 0 H ARG A 65 8.167 7.222 -6.216 1.00 0.00 H new ATOM 0 HA ARG A 65 8.425 10.110 -5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.158 8.443 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.175 8.586 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.373 11.225 -7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.832 10.695 -6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.117 9.301 -9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.168 10.645 -9.808 1.00 0.00 H new ATOM 0 HE ARG A 65 12.179 11.910 -9.707 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.964 9.621 -9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.613 10.060 -7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.129 12.439 -6.844 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.582 11.642 -6.233 1.00 0.00 H new