USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 923 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 26 GLN : amide:sc= -10.1! K(o=-17!,f=-0.94) USER MOD Set 1.2: B 55 GLN : amide:sc= -7.38! K(o=-17!,f=-0.94) USER MOD Set 2.1: B 21 ASN : amide:sc= -5.23! C(o=-15!,f=-4.8!) USER MOD Set 2.2: B 52 ASN : amide:sc= -9.32! K(o=-15!,f=-4.8) USER MOD Set 3.1: B 3 ASN : amide:sc= -0.836 K(o=-1.2,f=1.1) USER MOD Set 3.2: B 39 SER OG : rot 180:sc= -0.379 USER MOD Set 4.1: A 21 ASN : amide:sc= -4.26! K(o=-16!,f=-11) USER MOD Set 4.2: A 52 ASN : amide:sc= -11.5! C(o=-16!,f=-20!) USER MOD Set 5.1: A 26 GLN : amide:sc= -6.35! K(o=-15!,f=-2.6) USER MOD Set 5.2: A 55 GLN : amide:sc= -8.87! C(o=-15!,f=-2.6!) USER MOD Set 6.1: A 13 THR OG1 : rot 103:sc= -3.27! USER MOD Set 6.2: B 17 MET CE :methyl -125:sc= -11.9! (180deg=-12.3!) USER MOD Single : A 1 VAL N :NH3+ 163:sc= -0.172 (180deg=-0.571) USER MOD Single : A 3 ASN : amide:sc= -0.0274 X(o=-0.027,f=-0.13) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc=-0.00914 (180deg=-0.229) USER MOD Single : A 6 ASN : amide:sc= -2.54 K(o=-2.5,f=-9.1!) USER MOD Single : A 7 LYS NZ :NH3+ 171:sc= -0.03 (180deg=-0.198) USER MOD Single : A 18 ASN : amide:sc= -3.82 K(o=-3.8,f=-2.7) USER MOD Single : A 23 ASN : amide:sc= -2.34! C(o=-2.3!,f=-5.9!) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= -0.203 (180deg=-0.416) USER MOD Single : A 33 SER OG : rot 75:sc= 0.697 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.316 K(o=-0.32,f=-1.6) USER MOD Single : A 41 SER OG : rot 95:sc= -0.301 USER MOD Single : A 43 ASN : amide:sc= -0.0691 X(o=-0.069,f=-0.0029) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= -0.918 (180deg=-1.11) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 0.66 (180deg=0.4) USER MOD Single : A 58 LYS NZ :NH3+ 155:sc= 0.878 (180deg=0.236) USER MOD Single : B 1 VAL N :NH3+ -179:sc= -0.517 (180deg=-0.524) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -6.67! K(o=-6.7!,f=-0.73) USER MOD Single : B 7 LYS NZ :NH3+ -143:sc= -0.715 (180deg=-2.93!) USER MOD Single : B 23 ASN : amide:sc= -8.66! C(o=-8.7!,f=-19!) USER MOD Single : B 24 SER OG : rot -71:sc= 0.976 USER MOD Single : B 32 ASN : amide:sc= -0.0537 K(o=-0.054,f=-0.63) USER MOD Single : B 33 SER OG : rot 86:sc= 0.239 USER MOD Single : B 40 GLN : amide:sc= -0.128 K(o=-0.13,f=-4.6!) USER MOD Single : B 41 SER OG : rot 158:sc= -1.59 USER MOD Single : B 43 ASN : amide:sc= -0.834 K(o=-0.83,f=-0.082) USER MOD Single : B 49 LYS NZ :NH3+ 157:sc= 0.0234 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 178:sc= 0.993 (180deg=0.988) USER MOD Single : B 58 LYS NZ :NH3+ -133:sc= 1.83 (180deg=-1.67!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.286 -16.040 10.730 1.00 0.00 N ATOM 2 CA VAL A 1 4.587 -15.167 9.743 1.00 0.00 C ATOM 3 C VAL A 1 5.496 -14.944 8.533 1.00 0.00 C ATOM 4 O VAL A 1 6.576 -14.360 8.652 1.00 0.00 O ATOM 5 CB VAL A 1 4.218 -13.818 10.398 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.904 -13.966 11.177 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.329 -13.364 11.363 1.00 0.00 C ATOM 0 H1 VAL A 1 4.816 -15.964 11.655 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.253 -17.027 10.405 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.277 -15.738 10.820 1.00 0.00 H new ATOM 0 HA VAL A 1 3.668 -15.651 9.414 1.00 0.00 H new ATOM 0 HB VAL A 1 4.103 -13.071 9.612 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.645 -13.013 11.639 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.109 -14.267 10.495 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.024 -14.724 11.952 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.052 -12.412 11.815 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.460 -14.112 12.145 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.263 -13.246 10.813 1.00 0.00 H new ATOM 19 N ASP A 2 5.048 -15.423 7.372 1.00 0.00 N ATOM 20 CA ASP A 2 5.816 -15.288 6.136 1.00 0.00 C ATOM 21 C ASP A 2 5.655 -13.891 5.540 1.00 0.00 C ATOM 22 O ASP A 2 4.535 -13.432 5.301 1.00 0.00 O ATOM 23 CB ASP A 2 5.356 -16.341 5.115 1.00 0.00 C ATOM 24 CG ASP A 2 6.137 -16.209 3.799 1.00 0.00 C ATOM 25 OD1 ASP A 2 7.336 -15.970 3.852 1.00 0.00 O ATOM 26 OD2 ASP A 2 5.522 -16.354 2.756 1.00 0.00 O ATOM 0 H ASP A 2 4.157 -15.908 7.263 1.00 0.00 H new ATOM 0 HA ASP A 2 6.869 -15.443 6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.498 -17.340 5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.289 -16.225 4.922 1.00 0.00 H new ATOM 31 N ASN A 3 6.792 -13.230 5.296 1.00 0.00 N ATOM 32 CA ASN A 3 6.804 -11.885 4.714 1.00 0.00 C ATOM 33 C ASN A 3 5.970 -10.915 5.557 1.00 0.00 C ATOM 34 O ASN A 3 5.184 -10.125 5.025 1.00 0.00 O ATOM 35 CB ASN A 3 6.276 -11.932 3.269 1.00 0.00 C ATOM 36 CG ASN A 3 7.072 -12.945 2.448 1.00 0.00 C ATOM 37 OD1 ASN A 3 8.302 -12.962 2.499 1.00 0.00 O ATOM 38 ND2 ASN A 3 6.438 -13.798 1.693 1.00 0.00 N ATOM 0 H ASN A 3 7.719 -13.607 5.494 1.00 0.00 H new ATOM 0 HA ASN A 3 7.832 -11.523 4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.220 -12.202 3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.352 -10.944 2.814 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.961 -14.480 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.419 -13.783 1.651 1.00 0.00 H new ATOM 45 N LYS A 4 6.152 -10.982 6.877 1.00 0.00 N ATOM 46 CA LYS A 4 5.418 -10.107 7.791 1.00 0.00 C ATOM 47 C LYS A 4 5.677 -8.641 7.452 1.00 0.00 C ATOM 48 O LYS A 4 4.758 -7.821 7.491 1.00 0.00 O ATOM 49 CB LYS A 4 5.832 -10.398 9.243 1.00 0.00 C ATOM 50 CG LYS A 4 5.048 -9.507 10.219 1.00 0.00 C ATOM 51 CD LYS A 4 3.599 -9.999 10.313 1.00 0.00 C ATOM 52 CE LYS A 4 2.825 -9.154 11.330 1.00 0.00 C ATOM 53 NZ LYS A 4 2.670 -7.766 10.807 1.00 0.00 N ATOM 0 H LYS A 4 6.796 -11.628 7.334 1.00 0.00 H new ATOM 0 HA LYS A 4 4.351 -10.303 7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.651 -11.448 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.901 -10.225 9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.515 -9.530 11.204 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.070 -8.471 9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.120 -9.936 9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.581 -11.048 10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.846 -9.596 11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.354 -9.138 12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.955 -7.261 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.580 -7.266 10.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.367 -7.801 9.813 1.00 0.00 H new ATOM 67 N PHE A 5 6.929 -8.322 7.113 1.00 0.00 N ATOM 68 CA PHE A 5 7.296 -6.958 6.762 1.00 0.00 C ATOM 69 C PHE A 5 6.483 -6.492 5.552 1.00 0.00 C ATOM 70 O PHE A 5 6.033 -5.355 5.509 1.00 0.00 O ATOM 71 CB PHE A 5 8.810 -6.862 6.485 1.00 0.00 C ATOM 72 CG PHE A 5 9.124 -7.259 5.056 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.141 -8.611 4.688 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.389 -6.269 4.098 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.423 -8.973 3.367 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.671 -6.633 2.777 1.00 0.00 C ATOM 77 CZ PHE A 5 9.688 -7.984 2.411 1.00 0.00 C ATOM 0 H PHE A 5 7.699 -8.990 7.076 1.00 0.00 H new ATOM 0 HA PHE A 5 7.068 -6.301 7.601 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.153 -5.844 6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.352 -7.510 7.174 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.936 -9.374 5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.375 -5.227 4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.436 -10.015 3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.876 -5.871 2.039 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.906 -8.264 1.391 1.00 0.00 H new ATOM 87 N ASN A 6 6.285 -7.396 4.582 1.00 0.00 N ATOM 88 CA ASN A 6 5.502 -7.077 3.395 1.00 0.00 C ATOM 89 C ASN A 6 4.053 -6.847 3.779 1.00 0.00 C ATOM 90 O ASN A 6 3.422 -5.896 3.323 1.00 0.00 O ATOM 91 CB ASN A 6 5.563 -8.227 2.397 1.00 0.00 C ATOM 92 CG ASN A 6 4.755 -7.891 1.152 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.917 -6.824 0.576 1.00 0.00 O ATOM 94 ND2 ASN A 6 3.878 -8.747 0.712 1.00 0.00 N ATOM 0 H ASN A 6 6.656 -8.346 4.602 1.00 0.00 H new ATOM 0 HA ASN A 6 5.916 -6.176 2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.599 -8.425 2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.175 -9.136 2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.323 -8.529 -0.116 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.746 -9.636 1.195 1.00 0.00 H new ATOM 101 N LYS A 7 3.538 -7.724 4.638 1.00 0.00 N ATOM 102 CA LYS A 7 2.170 -7.611 5.097 1.00 0.00 C ATOM 103 C LYS A 7 2.027 -6.280 5.812 1.00 0.00 C ATOM 104 O LYS A 7 1.050 -5.571 5.637 1.00 0.00 O ATOM 105 CB LYS A 7 1.836 -8.775 6.042 1.00 0.00 C ATOM 106 CG LYS A 7 0.319 -8.865 6.261 1.00 0.00 C ATOM 107 CD LYS A 7 -0.029 -10.158 7.017 1.00 0.00 C ATOM 108 CE LYS A 7 -0.555 -11.210 6.035 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.983 -12.423 6.787 1.00 0.00 N ATOM 0 H LYS A 7 4.052 -8.516 5.025 1.00 0.00 H new ATOM 0 HA LYS A 7 1.478 -7.656 4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.206 -9.711 5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.340 -8.633 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.027 -8.000 6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.197 -8.846 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.854 -10.537 7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.780 -9.953 7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.394 -10.806 5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.221 -11.471 5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.478 -13.073 6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.147 -12.898 7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.623 -12.145 7.559 1.00 0.00 H new ATOM 123 N GLU A 8 3.046 -5.939 6.592 1.00 0.00 N ATOM 124 CA GLU A 8 3.056 -4.677 7.318 1.00 0.00 C ATOM 125 C GLU A 8 3.235 -3.508 6.350 1.00 0.00 C ATOM 126 O GLU A 8 2.575 -2.483 6.475 1.00 0.00 O ATOM 127 CB GLU A 8 4.157 -4.719 8.394 1.00 0.00 C ATOM 128 CG GLU A 8 4.530 -3.306 8.894 1.00 0.00 C ATOM 129 CD GLU A 8 5.914 -2.883 8.374 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.217 -3.164 7.224 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.648 -2.270 9.134 1.00 0.00 O ATOM 0 H GLU A 8 3.873 -6.518 6.737 1.00 0.00 H new ATOM 0 HA GLU A 8 2.100 -4.527 7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.819 -5.324 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.043 -5.206 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.779 -2.589 8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.527 -3.290 9.984 1.00 0.00 H new ATOM 138 N LEU A 9 4.094 -3.704 5.364 1.00 0.00 N ATOM 139 CA LEU A 9 4.336 -2.702 4.323 1.00 0.00 C ATOM 140 C LEU A 9 3.027 -2.431 3.608 1.00 0.00 C ATOM 141 O LEU A 9 2.682 -1.284 3.331 1.00 0.00 O ATOM 142 CB LEU A 9 5.409 -3.249 3.370 1.00 0.00 C ATOM 143 CG LEU A 9 5.562 -2.378 2.115 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.354 -1.101 2.391 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.307 -3.171 1.061 1.00 0.00 C ATOM 0 H LEU A 9 4.644 -4.556 5.257 1.00 0.00 H new ATOM 0 HA LEU A 9 4.696 -1.761 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.364 -3.303 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.148 -4.266 3.076 1.00 0.00 H new ATOM 0 HG LEU A 9 4.562 -2.098 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.436 -0.518 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.841 -0.512 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.351 -1.361 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.423 -2.564 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.290 -3.448 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.745 -4.073 0.819 1.00 0.00 H new ATOM 157 N GLY A 10 2.274 -3.491 3.364 1.00 0.00 N ATOM 158 CA GLY A 10 0.991 -3.364 2.743 1.00 0.00 C ATOM 159 C GLY A 10 -0.015 -2.829 3.735 1.00 0.00 C ATOM 160 O GLY A 10 -0.878 -2.027 3.398 1.00 0.00 O ATOM 0 H GLY A 10 2.542 -4.448 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.058 -2.695 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.663 -4.333 2.367 1.00 0.00 H new ATOM 164 N TRP A 11 0.067 -3.300 4.971 1.00 0.00 N ATOM 165 CA TRP A 11 -0.894 -2.859 5.946 1.00 0.00 C ATOM 166 C TRP A 11 -0.735 -1.412 6.299 1.00 0.00 C ATOM 167 O TRP A 11 -1.709 -0.661 6.266 1.00 0.00 O ATOM 168 CB TRP A 11 -0.906 -3.712 7.199 1.00 0.00 C ATOM 169 CG TRP A 11 -2.329 -3.792 7.682 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.684 -3.815 8.972 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.593 -3.825 6.908 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.061 -3.903 9.057 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.663 -3.896 7.820 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.917 -3.810 5.525 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.992 -3.944 7.392 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.239 -3.855 5.093 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.282 -3.919 6.023 1.00 0.00 C ATOM 0 H TRP A 11 0.766 -3.963 5.306 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.862 -2.981 5.460 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.517 -4.708 6.988 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.266 -3.276 7.965 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.005 -3.772 9.811 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.573 -3.966 9.937 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.122 -3.763 4.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.793 -4.000 8.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.461 -3.840 4.036 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.308 -3.949 5.686 1.00 0.00 H new ATOM 188 N ALA A 12 0.476 -1.010 6.618 1.00 0.00 N ATOM 189 CA ALA A 12 0.700 0.368 6.952 1.00 0.00 C ATOM 190 C ALA A 12 0.287 1.226 5.756 1.00 0.00 C ATOM 191 O ALA A 12 -0.329 2.270 5.923 1.00 0.00 O ATOM 192 CB ALA A 12 2.163 0.594 7.328 1.00 0.00 C ATOM 0 H ALA A 12 1.302 -1.608 6.651 1.00 0.00 H new ATOM 0 HA ALA A 12 0.101 0.650 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.316 1.644 7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.417 -0.025 8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.801 0.325 6.486 1.00 0.00 H new ATOM 198 N THR A 13 0.567 0.728 4.540 1.00 0.00 N ATOM 199 CA THR A 13 0.163 1.419 3.318 1.00 0.00 C ATOM 200 C THR A 13 -1.337 1.652 3.349 1.00 0.00 C ATOM 201 O THR A 13 -1.797 2.755 3.089 1.00 0.00 O ATOM 202 CB THR A 13 0.526 0.533 2.118 1.00 0.00 C ATOM 203 OG1 THR A 13 1.841 0.836 1.709 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.440 0.756 0.949 1.00 0.00 C ATOM 0 H THR A 13 1.069 -0.146 4.384 1.00 0.00 H new ATOM 0 HA THR A 13 0.672 2.380 3.237 1.00 0.00 H new ATOM 0 HB THR A 13 0.453 -0.512 2.420 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.450 0.134 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.156 0.114 0.115 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.455 0.514 1.264 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.397 1.799 0.635 1.00 0.00 H new ATOM 212 N TRP A 14 -2.069 0.595 3.679 1.00 0.00 N ATOM 213 CA TRP A 14 -3.524 0.638 3.750 1.00 0.00 C ATOM 214 C TRP A 14 -4.015 1.559 4.853 1.00 0.00 C ATOM 215 O TRP A 14 -4.928 2.347 4.648 1.00 0.00 O ATOM 216 CB TRP A 14 -4.023 -0.763 4.041 1.00 0.00 C ATOM 217 CG TRP A 14 -5.465 -0.891 3.689 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.477 -0.959 4.583 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.074 -0.982 2.372 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.664 -1.118 3.902 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.467 -1.139 2.540 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.564 -0.959 1.055 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.314 -1.271 1.453 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.417 -1.092 -0.027 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.778 -1.251 0.169 1.00 0.00 C ATOM 0 H TRP A 14 -1.670 -0.316 3.905 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.902 1.017 2.800 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.439 -1.488 3.474 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.879 -0.994 5.096 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.372 -0.899 5.656 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.575 -1.209 4.351 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.503 -0.837 0.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.378 -1.388 1.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.018 -1.072 -1.030 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.431 -1.361 -0.684 1.00 0.00 H new ATOM 236 N GLU A 15 -3.414 1.433 6.026 1.00 0.00 N ATOM 237 CA GLU A 15 -3.810 2.244 7.166 1.00 0.00 C ATOM 238 C GLU A 15 -3.608 3.724 6.841 1.00 0.00 C ATOM 239 O GLU A 15 -4.453 4.561 7.166 1.00 0.00 O ATOM 240 CB GLU A 15 -3.001 1.804 8.388 1.00 0.00 C ATOM 241 CG GLU A 15 -3.388 0.356 8.752 1.00 0.00 C ATOM 242 CD GLU A 15 -2.410 -0.212 9.778 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.634 -0.006 10.960 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.453 -0.848 9.366 1.00 0.00 O ATOM 0 H GLU A 15 -2.653 0.780 6.213 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.868 2.105 7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.934 1.866 8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.198 2.469 9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.401 0.333 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.386 -0.264 7.856 1.00 0.00 H new ATOM 251 N ILE A 16 -2.516 4.021 6.133 1.00 0.00 N ATOM 252 CA ILE A 16 -2.234 5.387 5.684 1.00 0.00 C ATOM 253 C ILE A 16 -3.235 5.750 4.578 1.00 0.00 C ATOM 254 O ILE A 16 -3.718 6.879 4.492 1.00 0.00 O ATOM 255 CB ILE A 16 -0.790 5.461 5.131 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.225 5.139 6.241 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.499 6.864 4.588 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.636 4.973 5.649 1.00 0.00 C ATOM 0 H ILE A 16 -1.813 3.335 5.858 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.329 6.086 6.515 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.698 4.730 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.227 5.938 6.983 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.069 4.225 6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.520 6.901 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.199 7.096 3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.610 7.595 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.341 4.746 6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.633 4.158 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.934 5.897 5.154 1.00 0.00 H new ATOM 270 N PHE A 17 -3.534 4.748 3.745 1.00 0.00 N ATOM 271 CA PHE A 17 -4.478 4.877 2.629 1.00 0.00 C ATOM 272 C PHE A 17 -5.881 5.180 3.160 1.00 0.00 C ATOM 273 O PHE A 17 -6.645 5.930 2.552 1.00 0.00 O ATOM 274 CB PHE A 17 -4.515 3.535 1.875 1.00 0.00 C ATOM 275 CG PHE A 17 -4.780 3.704 0.399 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.728 4.027 -0.474 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.062 3.470 -0.106 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.964 4.114 -1.846 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.302 3.569 -1.479 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.250 3.886 -2.349 1.00 0.00 C ATOM 0 H PHE A 17 -3.125 3.817 3.827 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.162 5.687 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.565 3.019 2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.288 2.900 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.737 4.208 -0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.868 3.212 0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.155 4.357 -2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.295 3.402 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.432 3.955 -3.411 1.00 0.00 H new ATOM 290 N ASN A 18 -6.205 4.545 4.289 1.00 0.00 N ATOM 291 CA ASN A 18 -7.513 4.683 4.923 1.00 0.00 C ATOM 292 C ASN A 18 -7.562 5.834 5.933 1.00 0.00 C ATOM 293 O ASN A 18 -8.593 6.023 6.587 1.00 0.00 O ATOM 294 CB ASN A 18 -7.874 3.369 5.637 1.00 0.00 C ATOM 295 CG ASN A 18 -8.182 2.262 4.626 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.245 1.644 4.688 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.316 1.969 3.697 1.00 0.00 N ATOM 0 H ASN A 18 -5.568 3.923 4.786 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.232 4.909 4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.048 3.061 6.279 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.738 3.527 6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.520 1.230 3.024 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.434 2.479 3.643 1.00 0.00 H new ATOM 304 N LEU A 19 -6.479 6.615 6.070 1.00 0.00 N ATOM 305 CA LEU A 19 -6.506 7.725 7.021 1.00 0.00 C ATOM 306 C LEU A 19 -7.457 8.803 6.497 1.00 0.00 C ATOM 307 O LEU A 19 -7.420 9.133 5.310 1.00 0.00 O ATOM 308 CB LEU A 19 -5.109 8.310 7.258 1.00 0.00 C ATOM 309 CG LEU A 19 -4.481 7.704 8.530 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.109 8.301 8.724 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.301 8.031 9.783 1.00 0.00 C ATOM 0 H LEU A 19 -5.607 6.502 5.554 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.859 7.350 7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.472 8.106 6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.174 9.394 7.357 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.446 6.622 8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.653 7.881 9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.487 8.072 7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.195 9.382 8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.824 7.586 10.656 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.355 9.112 9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.308 7.628 9.674 1.00 0.00 H new ATOM 323 N PRO A 20 -8.336 9.322 7.328 1.00 0.00 N ATOM 324 CA PRO A 20 -9.349 10.332 6.910 1.00 0.00 C ATOM 325 C PRO A 20 -8.848 11.780 6.826 1.00 0.00 C ATOM 326 O PRO A 20 -9.683 12.691 6.804 1.00 0.00 O ATOM 327 CB PRO A 20 -10.441 10.212 7.998 1.00 0.00 C ATOM 328 CG PRO A 20 -9.992 9.149 8.946 1.00 0.00 C ATOM 329 CD PRO A 20 -8.494 9.026 8.759 1.00 0.00 C ATOM 0 HA PRO A 20 -9.678 10.126 5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.575 11.161 8.517 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.402 9.953 7.554 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.236 9.415 9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.490 8.203 8.735 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.946 9.731 9.384 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.132 8.029 9.011 1.00 0.00 H new ATOM 337 N ASN A 21 -7.526 12.034 6.798 1.00 0.00 N ATOM 338 CA ASN A 21 -7.084 13.446 6.744 1.00 0.00 C ATOM 339 C ASN A 21 -5.822 13.674 5.914 1.00 0.00 C ATOM 340 O ASN A 21 -5.402 14.820 5.742 1.00 0.00 O ATOM 341 CB ASN A 21 -6.868 13.983 8.164 1.00 0.00 C ATOM 342 CG ASN A 21 -8.175 13.956 8.953 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.042 14.805 8.749 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.370 13.024 9.842 1.00 0.00 N ATOM 0 H ASN A 21 -6.785 11.333 6.811 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.884 13.990 6.242 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.116 13.382 8.675 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.485 15.003 8.119 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.242 12.997 10.370 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.650 12.321 10.010 1.00 0.00 H new ATOM 351 N LEU A 22 -5.226 12.611 5.394 1.00 0.00 N ATOM 352 CA LEU A 22 -4.018 12.761 4.581 1.00 0.00 C ATOM 353 C LEU A 22 -4.362 13.160 3.157 1.00 0.00 C ATOM 354 O LEU A 22 -5.432 12.813 2.650 1.00 0.00 O ATOM 355 CB LEU A 22 -3.230 11.459 4.560 1.00 0.00 C ATOM 356 CG LEU A 22 -2.838 11.073 5.985 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.074 9.763 5.950 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.939 12.146 6.598 1.00 0.00 C ATOM 0 H LEU A 22 -5.548 11.651 5.514 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.413 13.549 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.829 10.667 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.337 11.572 3.945 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.742 10.974 6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.790 9.480 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.705 8.985 5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.177 9.881 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.668 11.857 7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.036 12.251 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.471 13.097 6.621 1.00 0.00 H new ATOM 370 N ASN A 23 -3.440 13.877 2.509 1.00 0.00 N ATOM 371 CA ASN A 23 -3.653 14.303 1.133 1.00 0.00 C ATOM 372 C ASN A 23 -2.968 13.313 0.193 1.00 0.00 C ATOM 373 O ASN A 23 -2.132 12.515 0.627 1.00 0.00 O ATOM 374 CB ASN A 23 -3.146 15.745 0.930 1.00 0.00 C ATOM 375 CG ASN A 23 -1.714 15.778 0.400 1.00 0.00 C ATOM 376 OD1 ASN A 23 -0.782 15.374 1.090 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.492 16.246 -0.797 1.00 0.00 N ATOM 0 H ASN A 23 -2.550 14.169 2.913 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.719 14.309 0.905 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.803 16.266 0.233 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.195 16.283 1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.541 16.278 -1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.270 16.580 -1.366 1.00 0.00 H new ATOM 384 N GLY A 24 -3.346 13.353 -1.080 1.00 0.00 N ATOM 385 CA GLY A 24 -2.791 12.434 -2.073 1.00 0.00 C ATOM 386 C GLY A 24 -1.267 12.340 -1.999 1.00 0.00 C ATOM 387 O GLY A 24 -0.711 11.251 -2.119 1.00 0.00 O ATOM 0 H GLY A 24 -4.033 14.010 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.220 11.443 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.083 12.763 -3.070 1.00 0.00 H new ATOM 391 N VAL A 25 -0.599 13.478 -1.811 1.00 0.00 N ATOM 392 CA VAL A 25 0.863 13.493 -1.745 1.00 0.00 C ATOM 393 C VAL A 25 1.386 12.859 -0.465 1.00 0.00 C ATOM 394 O VAL A 25 2.319 12.066 -0.525 1.00 0.00 O ATOM 395 CB VAL A 25 1.385 14.922 -1.877 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.917 14.927 -1.759 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.979 15.461 -3.251 1.00 0.00 C ATOM 0 H VAL A 25 -1.040 14.391 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 25 1.231 12.895 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 25 0.966 15.546 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.286 15.948 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.209 14.524 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.345 14.312 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.344 16.482 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.411 14.833 -4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.107 15.452 -3.339 1.00 0.00 H new ATOM 407 N GLN A 26 0.806 13.205 0.688 1.00 0.00 N ATOM 408 CA GLN A 26 1.275 12.632 1.939 1.00 0.00 C ATOM 409 C GLN A 26 1.100 11.123 1.927 1.00 0.00 C ATOM 410 O GLN A 26 2.016 10.393 2.299 1.00 0.00 O ATOM 411 CB GLN A 26 0.540 13.262 3.120 1.00 0.00 C ATOM 412 CG GLN A 26 1.381 14.430 3.661 1.00 0.00 C ATOM 413 CD GLN A 26 0.472 15.511 4.206 1.00 0.00 C ATOM 414 OE1 GLN A 26 0.365 16.594 3.634 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.196 15.270 5.283 1.00 0.00 N ATOM 0 H GLN A 26 0.031 13.862 0.775 1.00 0.00 H new ATOM 0 HA GLN A 26 2.338 12.848 2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.442 13.617 2.807 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.377 12.520 3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.049 14.075 4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.008 14.836 2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.101 14.369 5.751 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.819 15.981 5.666 1.00 0.00 H new ATOM 424 N VAL A 27 -0.056 10.661 1.454 1.00 0.00 N ATOM 425 CA VAL A 27 -0.301 9.223 1.370 1.00 0.00 C ATOM 426 C VAL A 27 0.715 8.595 0.419 1.00 0.00 C ATOM 427 O VAL A 27 1.320 7.568 0.728 1.00 0.00 O ATOM 428 CB VAL A 27 -1.729 8.941 0.877 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.944 7.425 0.783 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.743 9.534 1.864 1.00 0.00 C ATOM 0 H VAL A 27 -0.824 11.248 1.129 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.193 8.787 2.363 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.868 9.395 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.956 7.222 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.226 6.998 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.803 6.976 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.755 9.332 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.604 9.081 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.592 10.611 1.937 1.00 0.00 H new ATOM 440 N LYS A 28 0.915 9.254 -0.724 1.00 0.00 N ATOM 441 CA LYS A 28 1.881 8.797 -1.719 1.00 0.00 C ATOM 442 C LYS A 28 3.296 8.831 -1.153 1.00 0.00 C ATOM 443 O LYS A 28 4.114 7.984 -1.485 1.00 0.00 O ATOM 444 CB LYS A 28 1.792 9.652 -2.998 1.00 0.00 C ATOM 445 CG LYS A 28 0.637 9.140 -3.869 1.00 0.00 C ATOM 446 CD LYS A 28 0.656 9.825 -5.243 1.00 0.00 C ATOM 447 CE LYS A 28 0.080 11.243 -5.145 1.00 0.00 C ATOM 448 NZ LYS A 28 -1.391 11.168 -4.910 1.00 0.00 N ATOM 0 H LYS A 28 0.419 10.107 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 28 1.639 7.766 -1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.632 10.699 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.730 9.600 -3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.718 8.060 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.314 9.333 -3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.678 9.867 -5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.076 9.239 -5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.561 11.787 -4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.285 11.794 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.805 12.118 -4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.823 10.537 -5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.572 10.796 -3.956 1.00 0.00 H new ATOM 462 N ALA A 29 3.568 9.820 -0.304 1.00 0.00 N ATOM 463 CA ALA A 29 4.874 9.978 0.313 1.00 0.00 C ATOM 464 C ALA A 29 5.120 8.883 1.313 1.00 0.00 C ATOM 465 O ALA A 29 6.201 8.302 1.354 1.00 0.00 O ATOM 466 CB ALA A 29 4.952 11.310 1.032 1.00 0.00 C ATOM 0 H ALA A 29 2.889 10.529 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 29 5.627 9.932 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.935 11.419 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.793 12.119 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.184 11.352 1.804 1.00 0.00 H new ATOM 472 N PHE A 30 4.098 8.593 2.108 1.00 0.00 N ATOM 473 CA PHE A 30 4.200 7.553 3.080 1.00 0.00 C ATOM 474 C PHE A 30 4.406 6.260 2.328 1.00 0.00 C ATOM 475 O PHE A 30 5.246 5.445 2.705 1.00 0.00 O ATOM 476 CB PHE A 30 2.943 7.507 3.939 1.00 0.00 C ATOM 477 CG PHE A 30 2.791 8.798 4.734 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.891 9.340 5.429 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.548 9.460 4.782 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.742 10.522 6.150 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.415 10.640 5.508 1.00 0.00 C ATOM 482 CZ PHE A 30 2.509 11.168 6.188 1.00 0.00 C ATOM 0 H PHE A 30 3.198 9.072 2.086 1.00 0.00 H new ATOM 0 HA PHE A 30 5.037 7.727 3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.068 7.358 3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.992 6.657 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.848 8.839 5.402 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.698 9.052 4.255 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.585 10.939 6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.462 11.147 5.544 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.401 12.085 6.749 1.00 0.00 H new ATOM 492 N ILE A 31 3.682 6.124 1.208 1.00 0.00 N ATOM 493 CA ILE A 31 3.844 4.964 0.356 1.00 0.00 C ATOM 494 C ILE A 31 5.265 4.938 -0.156 1.00 0.00 C ATOM 495 O ILE A 31 5.933 3.932 -0.073 1.00 0.00 O ATOM 496 CB ILE A 31 2.852 4.978 -0.833 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.478 4.463 -0.347 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.383 4.088 -1.990 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.431 4.570 -1.458 1.00 0.00 C ATOM 0 H ILE A 31 2.990 6.800 0.884 1.00 0.00 H new ATOM 0 HA ILE A 31 3.632 4.069 0.941 1.00 0.00 H new ATOM 0 HB ILE A 31 2.748 5.996 -1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.567 3.426 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.155 5.040 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.675 4.108 -2.819 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.347 4.467 -2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.500 3.063 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.527 4.202 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.327 5.612 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.746 3.973 -2.314 1.00 0.00 H new ATOM 511 N ASP A 32 5.709 6.067 -0.676 1.00 0.00 N ATOM 512 CA ASP A 32 7.055 6.183 -1.223 1.00 0.00 C ATOM 513 C ASP A 32 8.110 5.821 -0.191 1.00 0.00 C ATOM 514 O ASP A 32 9.067 5.104 -0.490 1.00 0.00 O ATOM 515 CB ASP A 32 7.272 7.611 -1.749 1.00 0.00 C ATOM 516 CG ASP A 32 6.441 7.856 -3.016 1.00 0.00 C ATOM 517 OD1 ASP A 32 6.114 6.894 -3.698 1.00 0.00 O ATOM 518 OD2 ASP A 32 6.134 9.007 -3.280 1.00 0.00 O ATOM 0 H ASP A 32 5.157 6.923 -0.733 1.00 0.00 H new ATOM 0 HA ASP A 32 7.157 5.476 -2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.994 8.333 -0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.329 7.767 -1.966 1.00 0.00 H new ATOM 523 N SER A 33 7.900 6.289 1.020 1.00 0.00 N ATOM 524 CA SER A 33 8.800 5.996 2.126 1.00 0.00 C ATOM 525 C SER A 33 8.721 4.507 2.461 1.00 0.00 C ATOM 526 O SER A 33 9.719 3.867 2.785 1.00 0.00 O ATOM 527 CB SER A 33 8.398 6.841 3.331 1.00 0.00 C ATOM 528 OG SER A 33 8.544 8.219 3.006 1.00 0.00 O ATOM 0 H SER A 33 7.107 6.880 1.270 1.00 0.00 H new ATOM 0 HA SER A 33 9.827 6.237 1.852 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.366 6.629 3.611 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.020 6.590 4.190 1.00 0.00 H new ATOM 0 HG SER A 33 7.814 8.494 2.412 1.00 0.00 H new ATOM 534 N LEU A 34 7.507 3.978 2.336 1.00 0.00 N ATOM 535 CA LEU A 34 7.211 2.564 2.569 1.00 0.00 C ATOM 536 C LEU A 34 7.985 1.691 1.576 1.00 0.00 C ATOM 537 O LEU A 34 8.705 0.778 1.970 1.00 0.00 O ATOM 538 CB LEU A 34 5.708 2.390 2.354 1.00 0.00 C ATOM 539 CG LEU A 34 4.962 2.267 3.677 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.780 3.234 3.720 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.441 0.853 3.795 1.00 0.00 C ATOM 0 H LEU A 34 6.689 4.525 2.067 1.00 0.00 H new ATOM 0 HA LEU A 34 7.504 2.264 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.319 3.241 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.527 1.501 1.750 1.00 0.00 H new ATOM 0 HG LEU A 34 5.639 2.506 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.260 3.131 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.142 4.256 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.093 3.005 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.902 0.741 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.767 0.643 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.277 0.154 3.770 1.00 0.00 H new ATOM 553 N ARG A 35 7.839 1.998 0.291 1.00 0.00 N ATOM 554 CA ARG A 35 8.548 1.245 -0.771 1.00 0.00 C ATOM 555 C ARG A 35 10.055 1.409 -0.594 1.00 0.00 C ATOM 556 O ARG A 35 10.813 0.439 -0.672 1.00 0.00 O ATOM 557 CB ARG A 35 8.172 1.739 -2.190 1.00 0.00 C ATOM 558 CG ARG A 35 6.990 2.706 -2.117 1.00 0.00 C ATOM 559 CD ARG A 35 6.414 3.092 -3.487 1.00 0.00 C ATOM 560 NE ARG A 35 7.165 2.504 -4.576 1.00 0.00 N ATOM 561 CZ ARG A 35 6.750 1.407 -5.185 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.186 0.459 -4.492 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.882 1.294 -6.474 1.00 0.00 N ATOM 0 H ARG A 35 7.245 2.753 -0.051 1.00 0.00 H new ATOM 0 HA ARG A 35 8.250 0.201 -0.677 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.028 2.234 -2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.917 0.889 -2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.201 2.254 -1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.306 3.611 -1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.375 2.769 -3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.417 4.177 -3.589 1.00 0.00 H new ATOM 0 HE ARG A 35 8.033 2.946 -4.880 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.067 0.566 -3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.864 -0.390 -4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.305 2.051 -7.012 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.563 0.449 -6.947 1.00 0.00 H new ATOM 577 N ASP A 36 10.467 2.654 -0.346 1.00 0.00 N ATOM 578 CA ASP A 36 11.874 2.984 -0.143 1.00 0.00 C ATOM 579 C ASP A 36 12.414 2.247 1.073 1.00 0.00 C ATOM 580 O ASP A 36 13.577 1.840 1.106 1.00 0.00 O ATOM 581 CB ASP A 36 12.028 4.487 0.061 1.00 0.00 C ATOM 582 CG ASP A 36 13.508 4.871 0.084 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.066 5.069 -0.983 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.061 4.956 1.169 1.00 0.00 O ATOM 0 H ASP A 36 9.838 3.454 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 36 12.438 2.679 -1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.519 5.024 -0.739 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.554 4.784 0.996 1.00 0.00 H new ATOM 589 N ASP A 37 11.546 2.085 2.066 1.00 0.00 N ATOM 590 CA ASP A 37 11.911 1.398 3.296 1.00 0.00 C ATOM 591 C ASP A 37 10.679 0.796 3.958 1.00 0.00 C ATOM 592 O ASP A 37 9.958 1.471 4.700 1.00 0.00 O ATOM 593 CB ASP A 37 12.622 2.363 4.259 1.00 0.00 C ATOM 594 CG ASP A 37 13.312 1.580 5.380 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.617 0.912 6.128 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.525 1.659 5.473 1.00 0.00 O ATOM 0 H ASP A 37 10.583 2.421 2.041 1.00 0.00 H new ATOM 0 HA ASP A 37 12.598 0.589 3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.357 2.956 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.901 3.061 4.684 1.00 0.00 H new ATOM 601 N PRO A 38 10.426 -0.464 3.697 1.00 0.00 N ATOM 602 CA PRO A 38 9.263 -1.182 4.271 1.00 0.00 C ATOM 603 C PRO A 38 9.421 -1.452 5.764 1.00 0.00 C ATOM 604 O PRO A 38 8.445 -1.606 6.489 1.00 0.00 O ATOM 605 CB PRO A 38 9.179 -2.479 3.480 1.00 0.00 C ATOM 606 CG PRO A 38 10.280 -2.471 2.467 1.00 0.00 C ATOM 607 CD PRO A 38 11.227 -1.338 2.826 1.00 0.00 C ATOM 0 HA PRO A 38 8.353 -0.587 4.193 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.277 -3.338 4.144 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.209 -2.565 2.989 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.807 -3.425 2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.877 -2.330 1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.114 -1.708 3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.570 -0.809 1.937 1.00 0.00 H new ATOM 615 N SER A 39 10.655 -1.483 6.226 1.00 0.00 N ATOM 616 CA SER A 39 10.905 -1.693 7.644 1.00 0.00 C ATOM 617 C SER A 39 10.355 -0.489 8.414 1.00 0.00 C ATOM 618 O SER A 39 10.078 -0.567 9.612 1.00 0.00 O ATOM 619 CB SER A 39 12.405 -1.850 7.911 1.00 0.00 C ATOM 620 OG SER A 39 12.601 -2.281 9.253 1.00 0.00 O ATOM 0 H SER A 39 11.491 -1.368 5.653 1.00 0.00 H new ATOM 0 HA SER A 39 10.410 -2.607 7.972 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.836 -2.573 7.218 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.917 -0.903 7.743 1.00 0.00 H new ATOM 0 HG SER A 39 13.560 -2.384 9.427 1.00 0.00 H new ATOM 626 N GLN A 40 10.217 0.627 7.686 1.00 0.00 N ATOM 627 CA GLN A 40 9.721 1.881 8.244 1.00 0.00 C ATOM 628 C GLN A 40 8.212 2.064 8.037 1.00 0.00 C ATOM 629 O GLN A 40 7.664 3.073 8.440 1.00 0.00 O ATOM 630 CB GLN A 40 10.454 3.056 7.570 1.00 0.00 C ATOM 631 CG GLN A 40 11.519 3.632 8.507 1.00 0.00 C ATOM 632 CD GLN A 40 12.707 2.677 8.615 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.590 1.598 9.197 1.00 0.00 O ATOM 634 NE2 GLN A 40 13.849 3.007 8.080 1.00 0.00 N ATOM 0 H GLN A 40 10.448 0.680 6.694 1.00 0.00 H new ATOM 0 HA GLN A 40 9.910 1.855 9.317 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.920 2.719 6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.738 3.833 7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.855 4.600 8.135 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.090 3.802 9.495 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.947 3.900 7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.645 2.372 8.144 1.00 0.00 H new ATOM 643 N SER A 41 7.543 1.121 7.389 1.00 0.00 N ATOM 644 CA SER A 41 6.104 1.268 7.114 1.00 0.00 C ATOM 645 C SER A 41 5.321 1.658 8.365 1.00 0.00 C ATOM 646 O SER A 41 4.392 2.463 8.297 1.00 0.00 O ATOM 647 CB SER A 41 5.536 -0.052 6.617 1.00 0.00 C ATOM 648 OG SER A 41 6.419 -0.619 5.675 1.00 0.00 O ATOM 0 H SER A 41 7.958 0.255 7.045 1.00 0.00 H new ATOM 0 HA SER A 41 6.004 2.053 6.365 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.391 -0.736 7.453 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.558 0.108 6.164 1.00 0.00 H new ATOM 0 HG SER A 41 7.010 -1.259 6.124 1.00 0.00 H new ATOM 654 N ALA A 42 5.718 1.097 9.498 1.00 0.00 N ATOM 655 CA ALA A 42 5.074 1.390 10.770 1.00 0.00 C ATOM 656 C ALA A 42 5.271 2.848 11.128 1.00 0.00 C ATOM 657 O ALA A 42 4.378 3.512 11.653 1.00 0.00 O ATOM 658 CB ALA A 42 5.733 0.555 11.852 1.00 0.00 C ATOM 0 H ALA A 42 6.489 0.432 9.562 1.00 0.00 H new ATOM 0 HA ALA A 42 4.010 1.167 10.690 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.260 0.764 12.812 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.620 -0.503 11.615 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.793 0.803 11.908 1.00 0.00 H new ATOM 664 N ASN A 43 6.473 3.312 10.838 1.00 0.00 N ATOM 665 CA ASN A 43 6.875 4.669 11.110 1.00 0.00 C ATOM 666 C ASN A 43 6.134 5.654 10.213 1.00 0.00 C ATOM 667 O ASN A 43 5.810 6.763 10.611 1.00 0.00 O ATOM 668 CB ASN A 43 8.375 4.766 10.859 1.00 0.00 C ATOM 669 CG ASN A 43 9.152 4.338 12.102 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.124 5.025 13.122 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.846 3.235 12.075 1.00 0.00 N ATOM 0 H ASN A 43 7.201 2.746 10.402 1.00 0.00 H new ATOM 0 HA ASN A 43 6.635 4.923 12.142 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.650 4.134 10.015 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.640 5.789 10.591 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.367 2.940 12.901 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.868 2.667 11.228 1.00 0.00 H new ATOM 678 N LEU A 44 5.896 5.215 8.998 1.00 0.00 N ATOM 679 CA LEU A 44 5.213 5.997 7.979 1.00 0.00 C ATOM 680 C LEU A 44 3.758 6.042 8.301 1.00 0.00 C ATOM 681 O LEU A 44 3.092 7.064 8.163 1.00 0.00 O ATOM 682 CB LEU A 44 5.511 5.325 6.650 1.00 0.00 C ATOM 683 CG LEU A 44 7.037 5.265 6.567 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.504 4.319 5.484 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.548 6.669 6.346 1.00 0.00 C ATOM 0 H LEU A 44 6.175 4.287 8.679 1.00 0.00 H new ATOM 0 HA LEU A 44 5.551 7.032 7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.074 4.327 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.093 5.893 5.819 1.00 0.00 H new ATOM 0 HG LEU A 44 7.441 4.869 7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.594 4.305 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.133 3.315 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.122 4.653 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.636 6.654 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.136 7.064 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.241 7.303 7.178 1.00 0.00 H new ATOM 697 N LEU A 45 3.320 4.927 8.816 1.00 0.00 N ATOM 698 CA LEU A 45 1.966 4.788 9.292 1.00 0.00 C ATOM 699 C LEU A 45 1.816 5.717 10.490 1.00 0.00 C ATOM 700 O LEU A 45 0.796 6.377 10.677 1.00 0.00 O ATOM 701 CB LEU A 45 1.719 3.329 9.686 1.00 0.00 C ATOM 702 CG LEU A 45 0.461 3.203 10.549 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.748 3.783 9.808 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.235 1.724 10.859 1.00 0.00 C ATOM 0 H LEU A 45 3.889 4.087 8.919 1.00 0.00 H new ATOM 0 HA LEU A 45 1.237 5.053 8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.613 2.719 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.580 2.945 10.233 1.00 0.00 H new ATOM 0 HG LEU A 45 0.588 3.760 11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.637 3.688 10.432 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.570 4.836 9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.899 3.239 8.876 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.658 1.613 11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.105 1.173 9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.097 1.329 11.397 1.00 0.00 H new ATOM 716 N ALA A 46 2.886 5.777 11.271 1.00 0.00 N ATOM 717 CA ALA A 46 2.946 6.635 12.441 1.00 0.00 C ATOM 718 C ALA A 46 2.907 8.083 12.010 1.00 0.00 C ATOM 719 O ALA A 46 2.166 8.901 12.556 1.00 0.00 O ATOM 720 CB ALA A 46 4.251 6.396 13.191 1.00 0.00 C ATOM 0 H ALA A 46 3.734 5.233 11.110 1.00 0.00 H new ATOM 0 HA ALA A 46 2.097 6.408 13.085 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.290 7.042 14.068 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.304 5.354 13.506 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.093 6.621 12.536 1.00 0.00 H new ATOM 726 N GLU A 47 3.715 8.365 11.000 1.00 0.00 N ATOM 727 CA GLU A 47 3.811 9.682 10.429 1.00 0.00 C ATOM 728 C GLU A 47 2.487 10.074 9.834 1.00 0.00 C ATOM 729 O GLU A 47 2.073 11.218 9.907 1.00 0.00 O ATOM 730 CB GLU A 47 4.842 9.656 9.313 1.00 0.00 C ATOM 731 CG GLU A 47 6.265 9.766 9.849 1.00 0.00 C ATOM 732 CD GLU A 47 6.431 11.026 10.704 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.181 12.107 10.191 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.795 10.893 11.861 1.00 0.00 O ATOM 0 H GLU A 47 4.323 7.676 10.557 1.00 0.00 H new ATOM 0 HA GLU A 47 4.095 10.393 11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.739 8.731 8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.650 10.477 8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.503 8.884 10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.970 9.790 9.018 1.00 0.00 H new ATOM 741 N ALA A 48 1.835 9.096 9.238 1.00 0.00 N ATOM 742 CA ALA A 48 0.565 9.310 8.620 1.00 0.00 C ATOM 743 C ALA A 48 -0.469 9.618 9.676 1.00 0.00 C ATOM 744 O ALA A 48 -1.204 10.585 9.554 1.00 0.00 O ATOM 745 CB ALA A 48 0.210 8.061 7.856 1.00 0.00 C ATOM 0 H ALA A 48 2.179 8.138 9.175 1.00 0.00 H new ATOM 0 HA ALA A 48 0.599 10.158 7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.757 8.193 7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.971 7.868 7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.159 7.216 8.543 1.00 0.00 H new ATOM 751 N LYS A 49 -0.483 8.818 10.740 1.00 0.00 N ATOM 752 CA LYS A 49 -1.394 9.063 11.845 1.00 0.00 C ATOM 753 C LYS A 49 -1.106 10.437 12.420 1.00 0.00 C ATOM 754 O LYS A 49 -2.007 11.115 12.902 1.00 0.00 O ATOM 755 CB LYS A 49 -1.244 7.981 12.916 1.00 0.00 C ATOM 756 CG LYS A 49 -1.881 6.686 12.403 1.00 0.00 C ATOM 757 CD LYS A 49 -1.778 5.587 13.466 1.00 0.00 C ATOM 758 CE LYS A 49 -2.439 4.310 12.935 1.00 0.00 C ATOM 759 NZ LYS A 49 -1.588 3.130 13.260 1.00 0.00 N ATOM 0 H LYS A 49 0.121 8.004 10.856 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.423 9.029 11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.190 7.819 13.143 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.725 8.297 13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.927 6.862 12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.383 6.365 11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.733 5.396 13.709 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.266 5.908 14.387 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.428 4.190 13.378 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.579 4.383 11.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.967 2.287 12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.615 3.303 12.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.587 2.976 14.288 1.00 0.00 H new ATOM 773 N LYS A 50 0.165 10.847 12.337 1.00 0.00 N ATOM 774 CA LYS A 50 0.570 12.144 12.822 1.00 0.00 C ATOM 775 C LYS A 50 0.098 13.228 11.872 1.00 0.00 C ATOM 776 O LYS A 50 -0.393 14.273 12.297 1.00 0.00 O ATOM 777 CB LYS A 50 2.094 12.179 12.972 1.00 0.00 C ATOM 778 CG LYS A 50 2.534 13.461 13.688 1.00 0.00 C ATOM 779 CD LYS A 50 4.056 13.439 13.873 1.00 0.00 C ATOM 780 CE LYS A 50 4.751 13.821 12.560 1.00 0.00 C ATOM 781 NZ LYS A 50 6.220 13.612 12.698 1.00 0.00 N ATOM 0 H LYS A 50 0.920 10.290 11.937 1.00 0.00 H new ATOM 0 HA LYS A 50 0.116 12.326 13.796 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.430 11.308 13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.563 12.125 11.990 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.239 14.335 13.108 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.039 13.539 14.656 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.345 14.134 14.662 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.378 12.447 14.189 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.362 13.216 11.741 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.542 14.862 12.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.713 14.084 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.544 14.012 13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.429 12.594 12.675 1.00 0.00 H new ATOM 795 N LEU A 51 0.247 12.956 10.582 1.00 0.00 N ATOM 796 CA LEU A 51 -0.169 13.897 9.558 1.00 0.00 C ATOM 797 C LEU A 51 -1.682 13.974 9.529 1.00 0.00 C ATOM 798 O LEU A 51 -2.261 15.056 9.451 1.00 0.00 O ATOM 799 CB LEU A 51 0.369 13.477 8.181 1.00 0.00 C ATOM 800 CG LEU A 51 1.699 14.187 7.869 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.542 15.707 8.013 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.807 13.682 8.807 1.00 0.00 C ATOM 0 H LEU A 51 0.653 12.092 10.223 1.00 0.00 H new ATOM 0 HA LEU A 51 0.239 14.880 9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.515 12.397 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.365 13.717 7.411 1.00 0.00 H new ATOM 0 HG LEU A 51 1.977 13.959 6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.491 16.194 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.780 16.061 7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.243 15.947 9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.741 14.193 8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.529 13.886 9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.937 12.608 8.671 1.00 0.00 H new ATOM 814 N ASN A 52 -2.305 12.807 9.621 1.00 0.00 N ATOM 815 CA ASN A 52 -3.741 12.702 9.642 1.00 0.00 C ATOM 816 C ASN A 52 -4.272 13.436 10.857 1.00 0.00 C ATOM 817 O ASN A 52 -5.230 14.200 10.770 1.00 0.00 O ATOM 818 CB ASN A 52 -4.134 11.233 9.728 1.00 0.00 C ATOM 819 CG ASN A 52 -5.643 11.092 9.758 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.269 11.012 8.714 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.266 11.060 10.904 1.00 0.00 N ATOM 0 H ASN A 52 -1.821 11.911 9.683 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.159 13.140 8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.728 10.691 8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.702 10.786 10.624 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.281 10.968 10.930 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.738 11.127 11.774 1.00 0.00 H new ATOM 828 N ASP A 53 -3.617 13.191 11.994 1.00 0.00 N ATOM 829 CA ASP A 53 -4.000 13.831 13.237 1.00 0.00 C ATOM 830 C ASP A 53 -3.802 15.337 13.130 1.00 0.00 C ATOM 831 O ASP A 53 -4.635 16.120 13.585 1.00 0.00 O ATOM 832 CB ASP A 53 -3.187 13.271 14.406 1.00 0.00 C ATOM 833 CG ASP A 53 -3.550 13.996 15.701 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.546 13.632 16.303 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.827 14.908 16.067 1.00 0.00 O ATOM 0 H ASP A 53 -2.823 12.555 12.071 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.054 13.624 13.423 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.379 12.203 14.513 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.122 13.384 14.204 1.00 0.00 H new ATOM 840 N ALA A 54 -2.694 15.726 12.502 1.00 0.00 N ATOM 841 CA ALA A 54 -2.386 17.130 12.304 1.00 0.00 C ATOM 842 C ALA A 54 -3.442 17.753 11.397 1.00 0.00 C ATOM 843 O ALA A 54 -3.863 18.892 11.600 1.00 0.00 O ATOM 844 CB ALA A 54 -1.001 17.268 11.669 1.00 0.00 C ATOM 0 H ALA A 54 -1.998 15.084 12.123 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.387 17.646 13.264 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.772 18.323 11.521 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.254 16.823 12.326 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.989 16.756 10.707 1.00 0.00 H new ATOM 850 N GLN A 55 -3.870 16.971 10.403 1.00 0.00 N ATOM 851 CA GLN A 55 -4.889 17.408 9.455 1.00 0.00 C ATOM 852 C GLN A 55 -6.293 17.048 9.953 1.00 0.00 C ATOM 853 O GLN A 55 -7.279 17.235 9.237 1.00 0.00 O ATOM 854 CB GLN A 55 -4.623 16.731 8.111 1.00 0.00 C ATOM 855 CG GLN A 55 -3.353 17.314 7.483 1.00 0.00 C ATOM 856 CD GLN A 55 -2.910 16.442 6.317 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.896 16.886 5.170 1.00 0.00 O ATOM 858 NE2 GLN A 55 -2.546 15.216 6.549 1.00 0.00 N ATOM 0 H GLN A 55 -3.522 16.027 10.236 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.841 18.492 9.349 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.511 15.656 8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.472 16.879 7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.540 18.331 7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.560 17.371 8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.559 14.852 7.502 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.247 14.618 5.778 1.00 0.00 H new ATOM 867 N ALA A 56 -6.372 16.525 11.181 1.00 0.00 N ATOM 868 CA ALA A 56 -7.656 16.130 11.763 1.00 0.00 C ATOM 869 C ALA A 56 -8.539 17.346 12.025 1.00 0.00 C ATOM 870 O ALA A 56 -8.062 18.482 12.034 1.00 0.00 O ATOM 871 CB ALA A 56 -7.437 15.350 13.063 1.00 0.00 C ATOM 0 H ALA A 56 -5.567 16.367 11.787 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.165 15.487 11.045 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.401 15.064 13.483 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.851 14.454 12.856 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.902 15.976 13.777 1.00 0.00 H new ATOM 877 N PRO A 57 -9.821 17.122 12.215 1.00 0.00 N ATOM 878 CA PRO A 57 -10.820 18.198 12.452 1.00 0.00 C ATOM 879 C PRO A 57 -10.855 18.650 13.910 1.00 0.00 C ATOM 880 O PRO A 57 -11.908 19.002 14.450 1.00 0.00 O ATOM 881 CB PRO A 57 -12.146 17.540 12.017 1.00 0.00 C ATOM 882 CG PRO A 57 -11.805 16.154 11.569 1.00 0.00 C ATOM 883 CD PRO A 57 -10.493 15.823 12.231 1.00 0.00 C ATOM 0 HA PRO A 57 -10.595 19.112 11.902 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.857 17.517 12.843 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.613 18.105 11.210 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.581 15.446 11.861 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.720 16.103 10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.629 15.444 13.244 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.935 15.066 11.680 1.00 0.00 H new ATOM 891 N LYS A 58 -9.685 18.641 14.529 1.00 0.00 N ATOM 892 CA LYS A 58 -9.544 19.053 15.924 1.00 0.00 C ATOM 893 C LYS A 58 -9.533 20.579 16.042 1.00 0.00 C ATOM 894 O LYS A 58 -8.872 21.214 15.234 1.00 0.00 O ATOM 895 CB LYS A 58 -8.258 18.484 16.513 1.00 0.00 C ATOM 896 CG LYS A 58 -8.334 16.949 16.556 1.00 0.00 C ATOM 897 CD LYS A 58 -7.187 16.386 17.411 1.00 0.00 C ATOM 898 CE LYS A 58 -5.841 16.601 16.708 1.00 0.00 C ATOM 899 NZ LYS A 58 -4.738 16.220 17.635 1.00 0.00 N ATOM 900 OXT LYS A 58 -10.186 21.090 16.938 1.00 0.00 O ATOM 0 H LYS A 58 -8.812 18.352 14.087 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.398 18.666 16.480 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.404 18.797 15.913 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.103 18.877 17.518 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.293 16.636 16.969 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.276 16.546 15.545 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.178 16.874 18.385 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.346 15.322 17.589 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.792 16.001 15.799 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.736 17.644 16.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.897 15.954 17.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.508 17.026 18.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.038 15.414 18.219 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -18.118 -7.017 6.181 1.00 0.00 N ATOM 916 CA VAL B 1 -18.774 -6.786 4.861 1.00 0.00 C ATOM 917 C VAL B 1 -17.784 -7.105 3.739 1.00 0.00 C ATOM 918 O VAL B 1 -18.162 -7.667 2.709 1.00 0.00 O ATOM 919 CB VAL B 1 -19.255 -5.321 4.776 1.00 0.00 C ATOM 920 CG1 VAL B 1 -18.063 -4.354 4.861 1.00 0.00 C ATOM 921 CG2 VAL B 1 -20.003 -5.095 3.453 1.00 0.00 C ATOM 0 H1 VAL B 1 -18.795 -6.817 6.945 1.00 0.00 H new ATOM 0 H2 VAL B 1 -17.806 -8.007 6.245 1.00 0.00 H new ATOM 0 H3 VAL B 1 -17.295 -6.388 6.274 1.00 0.00 H new ATOM 0 HA VAL B 1 -19.640 -7.440 4.753 1.00 0.00 H new ATOM 0 HB VAL B 1 -19.925 -5.128 5.614 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -18.423 -3.327 4.799 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -17.543 -4.500 5.808 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -17.377 -4.548 4.036 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -20.340 -4.060 3.398 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -19.335 -5.304 2.617 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -20.865 -5.761 3.404 1.00 0.00 H new ATOM 933 N ASP B 2 -16.516 -6.744 3.952 1.00 0.00 N ATOM 934 CA ASP B 2 -15.469 -6.993 2.964 1.00 0.00 C ATOM 935 C ASP B 2 -15.155 -8.488 2.880 1.00 0.00 C ATOM 936 O ASP B 2 -15.387 -9.235 3.835 1.00 0.00 O ATOM 937 CB ASP B 2 -14.199 -6.215 3.343 1.00 0.00 C ATOM 938 CG ASP B 2 -13.282 -6.065 2.125 1.00 0.00 C ATOM 939 OD1 ASP B 2 -12.644 -7.038 1.759 1.00 0.00 O ATOM 940 OD2 ASP B 2 -13.231 -4.978 1.576 1.00 0.00 O ATOM 0 H ASP B 2 -16.192 -6.279 4.800 1.00 0.00 H new ATOM 0 HA ASP B 2 -15.823 -6.656 1.990 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -14.468 -5.231 3.727 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -13.671 -6.735 4.142 1.00 0.00 H new ATOM 945 N ASN B 3 -14.627 -8.910 1.730 1.00 0.00 N ATOM 946 CA ASN B 3 -14.276 -10.310 1.503 1.00 0.00 C ATOM 947 C ASN B 3 -13.262 -10.797 2.542 1.00 0.00 C ATOM 948 O ASN B 3 -12.592 -9.996 3.192 1.00 0.00 O ATOM 949 CB ASN B 3 -13.670 -10.470 0.102 1.00 0.00 C ATOM 950 CG ASN B 3 -14.620 -9.919 -0.960 1.00 0.00 C ATOM 951 OD1 ASN B 3 -15.812 -10.229 -0.952 1.00 0.00 O ATOM 952 ND2 ASN B 3 -14.162 -9.112 -1.876 1.00 0.00 N ATOM 0 H ASN B 3 -14.433 -8.297 0.938 1.00 0.00 H new ATOM 0 HA ASN B 3 -15.184 -10.906 1.591 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -12.715 -9.946 0.051 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -13.467 -11.523 -0.095 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -14.791 -8.737 -2.586 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -13.175 -8.855 -1.882 1.00 0.00 H new ATOM 959 N LYS B 4 -13.149 -12.119 2.676 1.00 0.00 N ATOM 960 CA LYS B 4 -12.207 -12.724 3.624 1.00 0.00 C ATOM 961 C LYS B 4 -10.769 -12.344 3.270 1.00 0.00 C ATOM 962 O LYS B 4 -9.851 -12.491 4.080 1.00 0.00 O ATOM 963 CB LYS B 4 -12.364 -14.249 3.599 1.00 0.00 C ATOM 964 CG LYS B 4 -11.929 -14.796 2.230 1.00 0.00 C ATOM 965 CD LYS B 4 -12.220 -16.294 2.152 1.00 0.00 C ATOM 966 CE LYS B 4 -13.726 -16.508 1.988 1.00 0.00 C ATOM 967 NZ LYS B 4 -13.983 -17.893 1.500 1.00 0.00 N ATOM 0 H LYS B 4 -13.697 -12.793 2.141 1.00 0.00 H new ATOM 0 HA LYS B 4 -12.426 -12.351 4.624 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -11.762 -14.699 4.388 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -13.401 -14.520 3.796 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.459 -14.272 1.434 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -10.865 -14.615 2.078 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -11.684 -16.737 1.312 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.866 -16.792 3.054 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -14.232 -16.347 2.940 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -14.132 -15.782 1.284 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -15.007 -18.038 1.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -13.512 -18.031 0.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -13.609 -18.578 2.187 1.00 0.00 H new ATOM 981 N PHE B 5 -10.601 -11.875 2.039 1.00 0.00 N ATOM 982 CA PHE B 5 -9.305 -11.480 1.506 1.00 0.00 C ATOM 983 C PHE B 5 -8.692 -10.281 2.227 1.00 0.00 C ATOM 984 O PHE B 5 -7.751 -9.696 1.725 1.00 0.00 O ATOM 985 CB PHE B 5 -9.453 -11.169 0.010 1.00 0.00 C ATOM 986 CG PHE B 5 -9.491 -12.468 -0.749 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.526 -13.379 -0.509 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.488 -12.772 -1.675 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.556 -14.594 -1.195 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.520 -13.987 -2.363 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.552 -14.899 -2.122 1.00 0.00 C ATOM 0 H PHE B 5 -11.369 -11.758 1.378 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.623 -12.315 1.665 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.365 -10.599 -0.170 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.620 -10.555 -0.333 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.300 -13.142 0.206 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.690 -12.068 -1.858 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.353 -15.299 -1.011 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.748 -14.222 -3.081 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.575 -15.840 -2.652 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.200 -9.921 3.403 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.618 -8.796 4.145 1.00 0.00 C ATOM 1003 C ASN B 6 -7.160 -9.095 4.438 1.00 0.00 C ATOM 1004 O ASN B 6 -6.291 -8.277 4.152 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.393 -8.560 5.447 1.00 0.00 C ATOM 1006 CG ASN B 6 -10.806 -8.080 5.128 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -11.607 -7.851 6.032 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -11.157 -7.913 3.884 1.00 0.00 N ATOM 0 H ASN B 6 -9.992 -10.375 3.857 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.684 -7.889 3.544 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -9.435 -9.481 6.028 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.877 -7.820 6.059 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -12.098 -7.592 3.658 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -10.490 -8.104 3.136 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.903 -10.297 4.946 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.539 -10.735 5.219 1.00 0.00 C ATOM 1017 C LYS B 7 -4.760 -10.811 3.909 1.00 0.00 C ATOM 1018 O LYS B 7 -3.602 -10.401 3.830 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.569 -12.120 5.883 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.137 -12.606 6.155 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.163 -13.950 6.905 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.238 -15.118 5.909 1.00 0.00 C ATOM 1023 NZ LYS B 7 -5.586 -15.157 5.272 1.00 0.00 N ATOM 0 H LYS B 7 -7.621 -10.984 5.176 1.00 0.00 H new ATOM 0 HA LYS B 7 -5.054 -10.025 5.888 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.129 -12.072 6.817 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.086 -12.830 5.238 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.598 -12.717 5.214 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.599 -11.863 6.744 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -3.270 -14.047 7.522 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.020 -13.982 7.578 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -3.469 -15.006 5.145 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -4.042 -16.059 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -5.877 -16.146 5.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -6.274 -14.675 5.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -5.548 -14.677 4.350 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.427 -11.357 2.894 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.840 -11.526 1.570 1.00 0.00 C ATOM 1039 C GLU B 8 -4.565 -10.181 0.897 1.00 0.00 C ATOM 1040 O GLU B 8 -3.569 -10.029 0.186 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.803 -12.347 0.694 1.00 0.00 C ATOM 1042 CG GLU B 8 -6.017 -13.743 1.305 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.679 -14.455 1.521 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.962 -14.643 0.552 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.394 -14.803 2.656 1.00 0.00 O ATOM 0 H GLU B 8 -6.387 -11.693 2.968 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.888 -12.045 1.684 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.758 -11.829 0.607 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.399 -12.441 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.543 -13.652 2.255 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.649 -14.339 0.647 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.459 -9.219 1.117 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.324 -7.904 0.525 1.00 0.00 C ATOM 1054 C ARG B 9 -4.112 -7.184 1.103 1.00 0.00 C ATOM 1055 O ARG B 9 -3.398 -6.499 0.385 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.596 -7.086 0.776 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.464 -5.715 0.103 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.823 -5.013 0.073 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.324 -4.838 1.431 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.597 -5.057 1.724 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.992 -6.258 2.022 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -10.452 -4.076 1.708 1.00 0.00 N ATOM 0 H ARG B 9 -6.285 -9.333 1.704 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.180 -8.015 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.464 -7.614 0.382 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.757 -6.963 1.847 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.742 -5.104 0.644 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.085 -5.834 -0.912 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.730 -4.044 -0.417 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.532 -5.599 -0.512 1.00 0.00 H new ATOM 0 HE ARG B 9 -7.684 -4.542 2.168 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.323 -7.028 2.030 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.971 -6.431 2.248 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -10.143 -3.134 1.469 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -11.431 -4.249 1.934 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.887 -7.360 2.408 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.762 -6.715 3.092 1.00 0.00 C ATOM 1078 C VAL B 10 -1.449 -7.104 2.425 1.00 0.00 C ATOM 1079 O VAL B 10 -0.539 -6.284 2.306 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.726 -7.124 4.577 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.652 -6.317 5.312 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -4.105 -6.911 5.239 1.00 0.00 C ATOM 0 H VAL B 10 -4.468 -7.943 3.011 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.895 -5.635 3.025 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.481 -8.184 4.640 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.631 -6.610 6.362 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.679 -6.511 4.861 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.881 -5.254 5.237 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -4.055 -7.207 6.287 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.382 -5.859 5.172 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.852 -7.517 4.726 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.359 -8.357 1.995 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.153 -8.848 1.343 1.00 0.00 C ATOM 1094 C ILE B 11 0.017 -8.204 -0.035 1.00 0.00 C ATOM 1095 O ILE B 11 1.114 -7.778 -0.381 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.203 -10.375 1.243 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.546 -10.940 2.647 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.160 -10.899 0.748 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.183 -12.264 2.922 1.00 0.00 C ATOM 0 H ILE B 11 -2.104 -9.048 2.086 1.00 0.00 H new ATOM 0 HA ILE B 11 0.714 -8.571 1.942 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.965 -10.696 0.532 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.274 -10.210 3.409 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.622 -11.095 2.724 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.127 -11.986 0.676 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.378 -10.477 -0.233 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.940 -10.605 1.451 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.084 -12.627 3.915 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.109 -13.002 2.175 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.260 -12.104 2.871 1.00 0.00 H new ATOM 1111 N ALA B 12 -1.080 -8.108 -0.801 1.00 0.00 N ATOM 1112 CA ALA B 12 -1.042 -7.482 -2.118 1.00 0.00 C ATOM 1113 C ALA B 12 -0.734 -6.020 -1.974 1.00 0.00 C ATOM 1114 O ALA B 12 0.075 -5.495 -2.724 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.387 -7.650 -2.812 1.00 0.00 C ATOM 0 H ALA B 12 -1.998 -8.457 -0.527 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.267 -7.961 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.351 -7.180 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.608 -8.711 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.167 -7.179 -2.213 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.346 -5.380 -0.975 1.00 0.00 N ATOM 1122 CA ILE B 13 -1.089 -3.973 -0.729 1.00 0.00 C ATOM 1123 C ILE B 13 0.403 -3.822 -0.517 1.00 0.00 C ATOM 1124 O ILE B 13 1.013 -2.908 -1.036 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.847 -3.490 0.524 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -3.363 -3.571 0.324 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.505 -2.034 0.813 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -4.046 -3.579 1.677 1.00 0.00 C ATOM 0 H ILE B 13 -2.013 -5.812 -0.335 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.430 -3.373 -1.573 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.547 -4.136 1.349 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.710 -2.723 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.621 -4.473 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -2.045 -1.702 1.700 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.433 -1.939 0.985 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.792 -1.417 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -5.126 -3.637 1.539 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.707 -4.442 2.251 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.797 -2.665 2.216 1.00 0.00 H new ATOM 1140 N GLY B 14 0.973 -4.768 0.222 1.00 0.00 N ATOM 1141 CA GLY B 14 2.409 -4.783 0.487 1.00 0.00 C ATOM 1142 C GLY B 14 3.199 -5.129 -0.762 1.00 0.00 C ATOM 1143 O GLY B 14 4.270 -4.583 -0.996 1.00 0.00 O ATOM 0 H GLY B 14 0.460 -5.539 0.650 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.722 -3.807 0.859 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.628 -5.508 1.271 1.00 0.00 H new ATOM 1147 N GLU B 15 2.668 -6.054 -1.552 1.00 0.00 N ATOM 1148 CA GLU B 15 3.339 -6.500 -2.754 1.00 0.00 C ATOM 1149 C GLU B 15 3.459 -5.357 -3.738 1.00 0.00 C ATOM 1150 O GLU B 15 4.496 -5.212 -4.386 1.00 0.00 O ATOM 1151 CB GLU B 15 2.571 -7.668 -3.358 1.00 0.00 C ATOM 1152 CG GLU B 15 3.525 -8.561 -4.169 1.00 0.00 C ATOM 1153 CD GLU B 15 2.814 -9.842 -4.613 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.355 -10.577 -3.751 1.00 0.00 O ATOM 1155 OE2 GLU B 15 2.741 -10.077 -5.809 1.00 0.00 O ATOM 0 H GLU B 15 1.772 -6.508 -1.376 1.00 0.00 H new ATOM 0 HA GLU B 15 4.346 -6.836 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.098 -8.251 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.773 -7.296 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.887 -8.018 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.397 -8.813 -3.566 1.00 0.00 H new ATOM 1162 N ILE B 16 2.419 -4.519 -3.828 1.00 0.00 N ATOM 1163 CA ILE B 16 2.508 -3.365 -4.746 1.00 0.00 C ATOM 1164 C ILE B 16 3.722 -2.530 -4.332 1.00 0.00 C ATOM 1165 O ILE B 16 4.548 -2.128 -5.153 1.00 0.00 O ATOM 1166 CB ILE B 16 1.294 -2.397 -4.661 1.00 0.00 C ATOM 1167 CG1 ILE B 16 -0.056 -3.113 -4.699 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.356 -1.412 -5.837 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.211 -3.876 -5.999 1.00 0.00 C ATOM 0 H ILE B 16 1.546 -4.604 -3.308 1.00 0.00 H new ATOM 0 HA ILE B 16 2.559 -3.777 -5.754 1.00 0.00 H new ATOM 0 HB ILE B 16 1.365 -1.887 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -0.135 -3.799 -3.855 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.863 -2.387 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.508 -0.729 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.284 -0.842 -5.786 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.320 -1.964 -6.776 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.177 -4.381 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.153 -3.182 -6.837 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.586 -4.615 -6.084 1.00 0.00 H new ATOM 1181 N MET B 17 3.778 -2.283 -3.030 1.00 0.00 N ATOM 1182 CA MET B 17 4.835 -1.500 -2.398 1.00 0.00 C ATOM 1183 C MET B 17 6.202 -2.165 -2.588 1.00 0.00 C ATOM 1184 O MET B 17 7.214 -1.477 -2.730 1.00 0.00 O ATOM 1185 CB MET B 17 4.493 -1.349 -0.922 1.00 0.00 C ATOM 1186 CG MET B 17 3.047 -0.856 -0.789 1.00 0.00 C ATOM 1187 SD MET B 17 2.937 0.861 -1.302 1.00 0.00 S ATOM 1188 CE MET B 17 3.873 1.510 0.082 1.00 0.00 C ATOM 0 H MET B 17 3.079 -2.626 -2.371 1.00 0.00 H new ATOM 0 HA MET B 17 4.899 -0.516 -2.863 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.614 -2.303 -0.409 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.176 -0.644 -0.448 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.386 -1.470 -1.401 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.712 -0.958 0.243 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.286 2.274 0.592 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.101 0.703 0.778 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.802 1.949 -0.281 1.00 0.00 H new ATOM 1198 N ARG B 18 6.223 -3.506 -2.613 1.00 0.00 N ATOM 1199 CA ARG B 18 7.471 -4.243 -2.817 1.00 0.00 C ATOM 1200 C ARG B 18 8.045 -3.963 -4.201 1.00 0.00 C ATOM 1201 O ARG B 18 9.263 -3.870 -4.361 1.00 0.00 O ATOM 1202 CB ARG B 18 7.249 -5.745 -2.664 1.00 0.00 C ATOM 1203 CG ARG B 18 7.013 -6.118 -1.195 1.00 0.00 C ATOM 1204 CD ARG B 18 8.309 -6.007 -0.385 1.00 0.00 C ATOM 1205 NE ARG B 18 9.345 -6.865 -0.954 1.00 0.00 N ATOM 1206 CZ ARG B 18 10.554 -6.393 -1.235 1.00 0.00 C ATOM 1207 NH1 ARG B 18 10.735 -5.650 -2.290 1.00 0.00 N ATOM 1208 NH2 ARG B 18 11.556 -6.669 -0.450 1.00 0.00 N ATOM 0 H ARG B 18 5.398 -4.094 -2.496 1.00 0.00 H new ATOM 0 HA ARG B 18 8.177 -3.906 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.392 -6.053 -3.263 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.115 -6.285 -3.046 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.255 -5.462 -0.767 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.627 -7.135 -1.132 1.00 0.00 H new ATOM 0 HD2 ARG B 18 8.651 -4.972 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.122 -6.291 0.651 1.00 0.00 H new ATOM 0 HE ARG B 18 9.136 -7.846 -1.139 1.00 0.00 H new ATOM 0 HH11 ARG B 18 9.948 -5.431 -2.900 1.00 0.00 H new ATOM 0 HH12 ARG B 18 11.664 -5.288 -2.505 1.00 0.00 H new ATOM 0 HH21 ARG B 18 11.411 -7.246 0.378 1.00 0.00 H new ATOM 0 HH22 ARG B 18 12.486 -6.308 -0.664 1.00 0.00 H new ATOM 1222 N LEU B 19 7.156 -3.824 -5.196 1.00 0.00 N ATOM 1223 CA LEU B 19 7.586 -3.548 -6.568 1.00 0.00 C ATOM 1224 C LEU B 19 8.368 -2.239 -6.608 1.00 0.00 C ATOM 1225 O LEU B 19 7.794 -1.171 -6.396 1.00 0.00 O ATOM 1226 CB LEU B 19 6.383 -3.422 -7.506 1.00 0.00 C ATOM 1227 CG LEU B 19 5.513 -4.683 -7.513 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.240 -4.389 -8.289 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.230 -5.823 -8.213 1.00 0.00 C ATOM 0 H LEU B 19 6.146 -3.898 -5.075 1.00 0.00 H new ATOM 0 HA LEU B 19 8.212 -4.378 -6.897 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.777 -2.568 -7.203 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.734 -3.221 -8.518 1.00 0.00 H new ATOM 0 HG LEU B 19 5.297 -4.966 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.609 -5.278 -8.303 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.703 -3.570 -7.810 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.494 -4.108 -9.311 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.596 -6.710 -8.208 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.447 -5.539 -9.243 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.162 -6.041 -7.692 1.00 0.00 H new ATOM 1241 N PRO B 20 9.655 -2.294 -6.858 1.00 0.00 N ATOM 1242 CA PRO B 20 10.516 -1.082 -6.905 1.00 0.00 C ATOM 1243 C PRO B 20 10.421 -0.299 -8.223 1.00 0.00 C ATOM 1244 O PRO B 20 11.174 0.660 -8.411 1.00 0.00 O ATOM 1245 CB PRO B 20 11.937 -1.640 -6.707 1.00 0.00 C ATOM 1246 CG PRO B 20 11.814 -3.120 -6.556 1.00 0.00 C ATOM 1247 CD PRO B 20 10.458 -3.499 -7.118 1.00 0.00 C ATOM 0 HA PRO B 20 10.210 -0.359 -6.149 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.570 -1.392 -7.559 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.403 -1.201 -5.825 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.613 -3.632 -7.092 1.00 0.00 H new ATOM 0 HG3 PRO B 20 11.895 -3.411 -5.509 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.510 -3.730 -8.182 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.044 -4.377 -6.622 1.00 0.00 H new ATOM 1255 N ASN B 21 9.526 -0.703 -9.138 1.00 0.00 N ATOM 1256 CA ASN B 21 9.413 -0.005 -10.426 1.00 0.00 C ATOM 1257 C ASN B 21 8.104 0.786 -10.549 1.00 0.00 C ATOM 1258 O ASN B 21 7.979 1.624 -11.443 1.00 0.00 O ATOM 1259 CB ASN B 21 9.516 -1.010 -11.573 1.00 0.00 C ATOM 1260 CG ASN B 21 10.797 -1.835 -11.454 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.844 -1.317 -11.068 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.772 -3.095 -11.774 1.00 0.00 N ATOM 0 H ASN B 21 8.886 -1.488 -9.015 1.00 0.00 H new ATOM 0 HA ASN B 21 10.234 0.710 -10.479 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.649 -1.671 -11.563 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.504 -0.483 -12.527 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.621 -3.656 -11.705 1.00 0.00 H new ATOM 0 HD22 ASN B 21 9.903 -3.523 -12.094 1.00 0.00 H new ATOM 1269 N LEU B 22 7.128 0.524 -9.666 1.00 0.00 N ATOM 1270 CA LEU B 22 5.845 1.238 -9.735 1.00 0.00 C ATOM 1271 C LEU B 22 5.957 2.689 -9.271 1.00 0.00 C ATOM 1272 O LEU B 22 6.842 3.056 -8.498 1.00 0.00 O ATOM 1273 CB LEU B 22 4.767 0.539 -8.890 1.00 0.00 C ATOM 1274 CG LEU B 22 4.486 -0.869 -9.406 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.251 -1.435 -8.702 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.220 -0.803 -10.896 1.00 0.00 C ATOM 0 H LEU B 22 7.199 -0.160 -8.913 1.00 0.00 H new ATOM 0 HA LEU B 22 5.559 1.227 -10.787 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.092 0.490 -7.851 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.849 1.126 -8.910 1.00 0.00 H new ATOM 0 HG LEU B 22 5.345 -1.510 -9.207 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.051 -2.441 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.430 -1.472 -7.627 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.392 -0.796 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.018 -1.805 -11.274 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.357 -0.164 -11.084 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.093 -0.393 -11.404 1.00 0.00 H new ATOM 1288 N ASN B 23 5.015 3.492 -9.762 1.00 0.00 N ATOM 1289 CA ASN B 23 4.924 4.912 -9.434 1.00 0.00 C ATOM 1290 C ASN B 23 4.085 5.079 -8.163 1.00 0.00 C ATOM 1291 O ASN B 23 3.257 4.229 -7.856 1.00 0.00 O ATOM 1292 CB ASN B 23 4.292 5.621 -10.671 1.00 0.00 C ATOM 1293 CG ASN B 23 3.246 6.688 -10.342 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.354 7.404 -9.368 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.232 6.848 -11.143 1.00 0.00 N ATOM 0 H ASN B 23 4.289 3.173 -10.403 1.00 0.00 H new ATOM 0 HA ASN B 23 5.897 5.359 -9.228 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.090 6.083 -11.252 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.831 4.866 -11.307 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.538 7.570 -10.949 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.132 6.252 -11.964 1.00 0.00 H new ATOM 1302 N SER B 24 4.294 6.182 -7.433 1.00 0.00 N ATOM 1303 CA SER B 24 3.538 6.430 -6.200 1.00 0.00 C ATOM 1304 C SER B 24 2.044 6.396 -6.504 1.00 0.00 C ATOM 1305 O SER B 24 1.266 5.750 -5.805 1.00 0.00 O ATOM 1306 CB SER B 24 3.903 7.810 -5.638 1.00 0.00 C ATOM 1307 OG SER B 24 5.260 8.106 -5.947 1.00 0.00 O ATOM 0 H SER B 24 4.971 6.907 -7.671 1.00 0.00 H new ATOM 0 HA SER B 24 3.784 5.660 -5.468 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.248 8.571 -6.062 1.00 0.00 H new ATOM 0 HB3 SER B 24 3.753 7.826 -4.558 1.00 0.00 H new ATOM 0 HG SER B 24 5.850 7.538 -5.408 1.00 0.00 H new ATOM 1313 N LEU B 25 1.682 7.066 -7.593 1.00 0.00 N ATOM 1314 CA LEU B 25 0.314 7.114 -8.069 1.00 0.00 C ATOM 1315 C LEU B 25 -0.100 5.759 -8.627 1.00 0.00 C ATOM 1316 O LEU B 25 -1.243 5.338 -8.444 1.00 0.00 O ATOM 1317 CB LEU B 25 0.168 8.187 -9.161 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.764 9.296 -8.704 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.932 10.329 -9.826 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -2.117 8.687 -8.347 1.00 0.00 C ATOM 0 H LEU B 25 2.338 7.593 -8.170 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.334 7.367 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.146 8.603 -9.401 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.219 7.734 -10.074 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.345 9.795 -7.830 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.601 11.122 -9.493 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.039 10.755 -10.077 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.354 9.844 -10.707 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.795 9.474 -8.017 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.535 8.191 -9.223 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.989 7.960 -7.545 1.00 0.00 H new ATOM 1332 N GLN B 26 0.834 5.069 -9.298 1.00 0.00 N ATOM 1333 CA GLN B 26 0.520 3.751 -9.856 1.00 0.00 C ATOM 1334 C GLN B 26 0.219 2.777 -8.737 1.00 0.00 C ATOM 1335 O GLN B 26 -0.709 1.975 -8.819 1.00 0.00 O ATOM 1336 CB GLN B 26 1.699 3.196 -10.644 1.00 0.00 C ATOM 1337 CG GLN B 26 1.621 3.596 -12.121 1.00 0.00 C ATOM 1338 CD GLN B 26 2.860 3.084 -12.843 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.024 3.312 -14.040 1.00 0.00 O ATOM 1340 NE2 GLN B 26 3.747 2.394 -12.179 1.00 0.00 N ATOM 0 H GLN B 26 1.787 5.392 -9.463 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.341 3.869 -10.513 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.631 3.563 -10.215 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.716 2.109 -10.560 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.722 3.180 -12.576 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.553 4.680 -12.214 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.608 2.206 -11.186 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.579 2.042 -12.653 1.00 0.00 H new ATOM 1349 N VAL B 27 1.023 2.866 -7.693 1.00 0.00 N ATOM 1350 CA VAL B 27 0.871 2.005 -6.541 1.00 0.00 C ATOM 1351 C VAL B 27 -0.470 2.265 -5.902 1.00 0.00 C ATOM 1352 O VAL B 27 -1.209 1.333 -5.602 1.00 0.00 O ATOM 1353 CB VAL B 27 2.042 2.223 -5.578 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.765 1.557 -4.220 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.286 1.596 -6.217 1.00 0.00 C ATOM 0 H VAL B 27 1.792 3.532 -7.622 1.00 0.00 H new ATOM 0 HA VAL B 27 0.894 0.956 -6.836 1.00 0.00 H new ATOM 0 HB VAL B 27 2.186 3.289 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.610 1.725 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.865 1.987 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.623 0.486 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.142 1.733 -5.557 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.116 0.531 -6.375 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.485 2.078 -7.174 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.807 3.538 -5.772 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.093 3.918 -5.247 1.00 0.00 C ATOM 1367 C VAL B 28 -3.177 3.370 -6.179 1.00 0.00 C ATOM 1368 O VAL B 28 -4.248 2.984 -5.736 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.201 5.444 -5.149 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.583 5.811 -4.604 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -1.105 5.994 -4.217 1.00 0.00 C ATOM 0 H VAL B 28 -0.203 4.320 -6.025 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.219 3.507 -4.246 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.068 5.883 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.669 6.895 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.352 5.431 -5.276 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.714 5.369 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.191 7.079 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.223 5.563 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.124 5.730 -4.613 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.869 3.334 -7.480 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.800 2.827 -8.477 1.00 0.00 C ATOM 1383 C ALA B 29 -4.161 1.388 -8.152 1.00 0.00 C ATOM 1384 O ALA B 29 -5.332 1.004 -8.196 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.156 2.898 -9.870 1.00 0.00 C ATOM 0 H ALA B 29 -1.978 3.652 -7.861 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.704 3.436 -8.469 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.856 2.518 -10.614 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.906 3.933 -10.103 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.249 2.294 -9.883 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.141 0.601 -7.808 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.335 -0.770 -7.465 1.00 0.00 C ATOM 1393 C PHE B 30 -3.966 -0.884 -6.085 1.00 0.00 C ATOM 1394 O PHE B 30 -4.929 -1.615 -5.923 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.978 -1.477 -7.529 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.437 -1.383 -8.946 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.169 -1.896 -10.037 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.211 -0.745 -9.177 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.664 -1.766 -11.331 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.279 -0.614 -10.469 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.446 -1.123 -11.549 1.00 0.00 C ATOM 0 H PHE B 30 -2.171 0.913 -7.766 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.018 -1.247 -8.168 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.281 -1.017 -6.829 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.083 -2.521 -7.235 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.116 -2.387 -9.871 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.356 -0.353 -8.345 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.219 -2.165 -12.167 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.223 -0.117 -10.640 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.063 -1.018 -12.553 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.454 -0.123 -5.103 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.013 -0.166 -3.745 1.00 0.00 C ATOM 1413 C ILE B 31 -5.495 0.192 -3.793 1.00 0.00 C ATOM 1414 O ILE B 31 -6.334 -0.502 -3.224 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.261 0.814 -2.823 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.783 0.405 -2.698 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.885 0.805 -1.420 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -0.996 1.564 -2.074 1.00 0.00 C ATOM 0 H ILE B 31 -2.669 0.517 -5.222 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.897 -1.173 -3.345 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.334 1.810 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.690 -0.489 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.376 0.158 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.346 1.501 -0.777 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.930 1.107 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.823 -0.199 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.053 1.283 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.081 2.445 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.400 1.788 -1.087 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.803 1.258 -4.510 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.182 1.693 -4.677 1.00 0.00 C ATOM 1432 C ASN B 32 -8.000 0.593 -5.367 1.00 0.00 C ATOM 1433 O ASN B 32 -9.201 0.471 -5.134 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.223 2.977 -5.516 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.558 3.703 -5.354 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.508 3.171 -4.778 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.675 4.905 -5.832 1.00 0.00 N ATOM 0 H ASN B 32 -5.116 1.841 -4.988 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.613 1.892 -3.696 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.409 3.637 -5.215 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -7.064 2.733 -6.566 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.555 5.411 -5.731 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.887 5.343 -6.309 1.00 0.00 H new ATOM 1444 N SER B 33 -7.333 -0.218 -6.205 1.00 0.00 N ATOM 1445 CA SER B 33 -7.997 -1.302 -6.893 1.00 0.00 C ATOM 1446 C SER B 33 -8.164 -2.475 -5.929 1.00 0.00 C ATOM 1447 O SER B 33 -9.141 -3.215 -6.020 1.00 0.00 O ATOM 1448 CB SER B 33 -7.243 -1.662 -8.171 1.00 0.00 C ATOM 1449 OG SER B 33 -7.584 -0.732 -9.190 1.00 0.00 O ATOM 0 H SER B 33 -6.338 -0.132 -6.412 1.00 0.00 H new ATOM 0 HA SER B 33 -8.995 -1.002 -7.212 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.168 -1.645 -7.991 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.498 -2.674 -8.485 1.00 0.00 H new ATOM 0 HG SER B 33 -7.002 0.054 -9.124 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.243 -2.591 -4.947 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.377 -3.627 -3.914 1.00 0.00 C ATOM 1457 C LEU B 34 -8.675 -3.290 -3.194 1.00 0.00 C ATOM 1458 O LEU B 34 -9.536 -4.138 -2.962 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.193 -3.580 -2.915 1.00 0.00 C ATOM 1460 CG LEU B 34 -4.852 -3.750 -3.652 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -3.673 -3.655 -2.702 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -4.813 -5.102 -4.304 1.00 0.00 C ATOM 0 H LEU B 34 -6.421 -1.994 -4.853 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.379 -4.627 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.201 -2.631 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.307 -4.368 -2.171 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.777 -2.951 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.745 -3.780 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.675 -2.680 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.750 -4.437 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.865 -5.226 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.912 -5.876 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.634 -5.186 -5.016 1.00 0.00 H new ATOM 1474 N ARG B 35 -8.798 -1.992 -2.931 1.00 0.00 N ATOM 1475 CA ARG B 35 -9.995 -1.397 -2.321 1.00 0.00 C ATOM 1476 C ARG B 35 -11.226 -1.697 -3.179 1.00 0.00 C ATOM 1477 O ARG B 35 -12.265 -2.122 -2.672 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.794 0.134 -2.270 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.073 0.706 -0.871 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.963 1.697 -0.490 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.754 1.701 0.952 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.528 2.421 1.755 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.643 1.919 2.203 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.172 3.626 2.094 1.00 0.00 N ATOM 0 H ARG B 35 -8.065 -1.313 -3.135 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.143 -1.810 -1.323 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.772 0.375 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.454 0.611 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -11.041 1.206 -0.858 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.121 -0.101 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.037 1.427 -0.997 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.230 2.698 -0.827 1.00 0.00 H new ATOM 0 HE ARG B 35 -8.000 1.141 1.351 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.920 0.974 1.937 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.239 2.471 2.820 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.298 4.017 1.743 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.767 4.179 2.711 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.083 -1.458 -4.485 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.163 -1.684 -5.443 1.00 0.00 C ATOM 1500 C ASP B 36 -12.569 -3.154 -5.483 1.00 0.00 C ATOM 1501 O ASP B 36 -13.751 -3.478 -5.619 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.707 -1.239 -6.840 1.00 0.00 C ATOM 1503 CG ASP B 36 -12.871 -1.321 -7.827 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -13.641 -0.375 -7.887 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -12.977 -2.329 -8.507 1.00 0.00 O ATOM 0 H ASP B 36 -10.222 -1.105 -4.903 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.028 -1.101 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.327 -0.218 -6.798 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -10.887 -1.871 -7.181 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.576 -4.033 -5.380 1.00 0.00 N ATOM 1511 CA ASP B 37 -11.817 -5.470 -5.421 1.00 0.00 C ATOM 1512 C ASP B 37 -10.804 -6.216 -4.568 1.00 0.00 C ATOM 1513 O ASP B 37 -9.685 -6.497 -5.010 1.00 0.00 O ATOM 1514 CB ASP B 37 -11.745 -5.970 -6.868 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.151 -6.137 -7.440 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -13.705 -7.215 -7.289 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.654 -5.187 -8.017 1.00 0.00 O ATOM 0 H ASP B 37 -10.596 -3.774 -5.267 1.00 0.00 H new ATOM 0 HA ASP B 37 -12.812 -5.661 -5.019 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.179 -5.265 -7.476 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.214 -6.921 -6.906 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.185 -6.559 -3.363 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.306 -7.314 -2.443 1.00 0.00 C ATOM 1524 C PRO B 38 -10.097 -8.748 -2.919 1.00 0.00 C ATOM 1525 O PRO B 38 -9.054 -9.351 -2.663 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.022 -7.285 -1.098 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.280 -6.492 -1.268 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.493 -6.269 -2.757 1.00 0.00 C ATOM 0 HA PRO B 38 -9.311 -6.873 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.250 -8.297 -0.765 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.386 -6.834 -0.336 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.128 -7.024 -0.837 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.203 -5.538 -0.746 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.267 -6.928 -3.150 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.809 -5.246 -2.964 1.00 0.00 H new ATOM 1536 N SER B 39 -11.097 -9.272 -3.632 1.00 0.00 N ATOM 1537 CA SER B 39 -11.019 -10.624 -4.168 1.00 0.00 C ATOM 1538 C SER B 39 -9.957 -10.662 -5.249 1.00 0.00 C ATOM 1539 O SER B 39 -9.177 -11.612 -5.339 1.00 0.00 O ATOM 1540 CB SER B 39 -12.370 -11.044 -4.753 1.00 0.00 C ATOM 1541 OG SER B 39 -13.360 -10.992 -3.735 1.00 0.00 O ATOM 0 H SER B 39 -11.964 -8.780 -3.848 1.00 0.00 H new ATOM 0 HA SER B 39 -10.760 -11.317 -3.367 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.644 -10.384 -5.576 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.305 -12.053 -5.161 1.00 0.00 H new ATOM 0 HG SER B 39 -14.226 -11.259 -4.107 1.00 0.00 H new ATOM 1547 N GLN B 40 -9.935 -9.601 -6.057 1.00 0.00 N ATOM 1548 CA GLN B 40 -8.971 -9.482 -7.131 1.00 0.00 C ATOM 1549 C GLN B 40 -7.794 -8.628 -6.696 1.00 0.00 C ATOM 1550 O GLN B 40 -7.086 -8.083 -7.538 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.602 -8.911 -8.416 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.134 -9.071 -8.407 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.527 -10.519 -8.696 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.005 -11.447 -8.075 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.427 -10.769 -9.603 1.00 0.00 N ATOM 0 H GLN B 40 -10.579 -8.814 -5.981 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.617 -10.487 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.345 -7.856 -8.512 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.186 -9.421 -9.285 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.531 -8.768 -7.438 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.578 -8.412 -9.154 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.860 -10.002 -10.117 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.700 -11.732 -9.799 1.00 0.00 H new ATOM 1564 N SER B 41 -7.557 -8.531 -5.378 1.00 0.00 N ATOM 1565 CA SER B 41 -6.422 -7.763 -4.893 1.00 0.00 C ATOM 1566 C SER B 41 -5.155 -8.272 -5.566 1.00 0.00 C ATOM 1567 O SER B 41 -4.224 -7.519 -5.832 1.00 0.00 O ATOM 1568 CB SER B 41 -6.297 -7.926 -3.379 1.00 0.00 C ATOM 1569 OG SER B 41 -7.179 -7.026 -2.731 1.00 0.00 O ATOM 0 H SER B 41 -8.126 -8.967 -4.652 1.00 0.00 H new ATOM 0 HA SER B 41 -6.567 -6.708 -5.127 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.532 -8.951 -3.093 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.271 -7.735 -3.066 1.00 0.00 H new ATOM 0 HG SER B 41 -7.369 -7.349 -1.826 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.164 -9.566 -5.848 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.062 -10.232 -6.513 1.00 0.00 C ATOM 1577 C ALA B 42 -4.012 -9.862 -7.998 1.00 0.00 C ATOM 1578 O ALA B 42 -2.961 -9.947 -8.624 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.266 -11.739 -6.385 1.00 0.00 C ATOM 0 H ALA B 42 -5.942 -10.184 -5.619 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.126 -9.921 -6.049 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.446 -12.260 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.288 -12.015 -5.331 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.209 -12.020 -6.853 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.177 -9.496 -8.546 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.318 -9.157 -9.958 1.00 0.00 C ATOM 1587 C ASN B 43 -4.663 -7.842 -10.321 1.00 0.00 C ATOM 1588 O ASN B 43 -3.842 -7.786 -11.229 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.787 -9.055 -10.277 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.016 -9.132 -11.786 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.540 -10.126 -12.285 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.641 -8.139 -12.544 1.00 0.00 N ATOM 0 H ASN B 43 -6.047 -9.428 -8.018 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.823 -9.940 -10.532 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.329 -9.859 -9.780 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.184 -8.116 -9.891 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -6.782 -8.186 -13.553 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.207 -7.315 -12.128 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.027 -6.782 -9.605 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.450 -5.493 -9.873 1.00 0.00 C ATOM 1601 C LEU B 44 -3.012 -5.523 -9.382 1.00 0.00 C ATOM 1602 O LEU B 44 -2.137 -4.858 -9.917 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.320 -4.323 -9.335 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.417 -4.245 -7.816 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.278 -5.368 -7.294 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.046 -4.234 -7.177 1.00 0.00 C ATOM 0 H LEU B 44 -5.710 -6.801 -8.848 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.431 -5.288 -10.943 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.911 -3.384 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.326 -4.418 -9.745 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.894 -3.303 -7.544 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.341 -5.303 -6.208 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.278 -5.289 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.838 -6.325 -7.576 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.150 -4.178 -6.093 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.513 -5.147 -7.444 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.486 -3.370 -7.533 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.771 -6.377 -8.388 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.432 -6.588 -7.883 1.00 0.00 C ATOM 1620 C LEU B 45 -0.668 -7.236 -9.018 1.00 0.00 C ATOM 1621 O LEU B 45 0.495 -6.935 -9.285 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.489 -7.510 -6.657 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.154 -8.237 -6.438 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.978 -7.216 -6.289 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.256 -9.114 -5.176 1.00 0.00 C ATOM 0 H LEU B 45 -3.491 -6.930 -7.922 1.00 0.00 H new ATOM 0 HA LEU B 45 -0.951 -5.662 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.735 -6.925 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.286 -8.242 -6.787 1.00 0.00 H new ATOM 0 HG LEU B 45 0.064 -8.871 -7.298 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.922 -7.739 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU B 45 1.043 -6.610 -7.193 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.776 -6.571 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.689 -9.633 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.476 -8.486 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.054 -9.846 -5.305 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.396 -8.091 -9.719 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.864 -8.769 -10.881 1.00 0.00 C ATOM 1639 C ALA B 46 -0.543 -7.706 -11.922 1.00 0.00 C ATOM 1640 O ALA B 46 0.501 -7.724 -12.563 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.897 -9.763 -11.436 1.00 0.00 C ATOM 0 H ALA B 46 -2.363 -8.330 -9.498 1.00 0.00 H new ATOM 0 HA ALA B 46 0.032 -9.332 -10.620 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.484 -10.267 -12.310 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.138 -10.502 -10.672 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.802 -9.226 -11.720 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.457 -6.746 -12.024 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.304 -5.619 -12.920 1.00 0.00 C ATOM 1649 C GLU B 47 -0.116 -4.773 -12.484 1.00 0.00 C ATOM 1650 O GLU B 47 0.527 -4.118 -13.302 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.553 -4.719 -12.898 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.793 -5.443 -13.420 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.529 -6.116 -14.769 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.094 -5.435 -15.684 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.769 -7.309 -14.865 1.00 0.00 O ATOM 0 H GLU B 47 -2.323 -6.733 -11.485 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.155 -6.014 -13.925 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.735 -4.378 -11.879 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.370 -3.831 -13.504 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.109 -6.193 -12.695 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.613 -4.733 -13.522 1.00 0.00 H new ATOM 1662 N ALA B 48 0.121 -4.754 -11.170 1.00 0.00 N ATOM 1663 CA ALA B 48 1.166 -3.953 -10.589 1.00 0.00 C ATOM 1664 C ALA B 48 2.522 -4.532 -10.854 1.00 0.00 C ATOM 1665 O ALA B 48 3.420 -3.831 -11.271 1.00 0.00 O ATOM 1666 CB ALA B 48 0.934 -3.904 -9.091 1.00 0.00 C ATOM 0 H ALA B 48 -0.413 -5.298 -10.492 1.00 0.00 H new ATOM 0 HA ALA B 48 1.138 -2.958 -11.034 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.712 -3.302 -8.622 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.040 -3.459 -8.888 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.963 -4.915 -8.685 1.00 0.00 H new ATOM 1672 N LYS B 49 2.657 -5.818 -10.621 1.00 0.00 N ATOM 1673 CA LYS B 49 3.922 -6.479 -10.860 1.00 0.00 C ATOM 1674 C LYS B 49 4.207 -6.440 -12.355 1.00 0.00 C ATOM 1675 O LYS B 49 5.357 -6.324 -12.772 1.00 0.00 O ATOM 1676 CB LYS B 49 3.880 -7.886 -10.282 1.00 0.00 C ATOM 1677 CG LYS B 49 2.785 -8.692 -10.950 1.00 0.00 C ATOM 1678 CD LYS B 49 2.737 -10.108 -10.361 1.00 0.00 C ATOM 1679 CE LYS B 49 2.331 -10.044 -8.882 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.742 -11.347 -8.465 1.00 0.00 N ATOM 0 H LYS B 49 1.915 -6.423 -10.270 1.00 0.00 H new ATOM 0 HA LYS B 49 4.744 -5.970 -10.357 1.00 0.00 H new ATOM 0 HB2 LYS B 49 4.843 -8.376 -10.427 1.00 0.00 H new ATOM 0 HB3 LYS B 49 3.704 -7.841 -9.207 1.00 0.00 H new ATOM 0 HG2 LYS B 49 1.823 -8.199 -10.810 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.964 -8.743 -12.024 1.00 0.00 H new ATOM 0 HD2 LYS B 49 2.025 -10.719 -10.917 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.712 -10.586 -10.459 1.00 0.00 H new ATOM 0 HE2 LYS B 49 3.200 -9.813 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS B 49 1.609 -9.242 -8.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 1.827 -11.452 -7.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 0.738 -11.376 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 2.249 -12.124 -8.935 1.00 0.00 H new ATOM 1694 N LYS B 50 3.131 -6.457 -13.150 1.00 0.00 N ATOM 1695 CA LYS B 50 3.256 -6.331 -14.593 1.00 0.00 C ATOM 1696 C LYS B 50 3.675 -4.913 -14.934 1.00 0.00 C ATOM 1697 O LYS B 50 4.488 -4.700 -15.826 1.00 0.00 O ATOM 1698 CB LYS B 50 1.937 -6.644 -15.286 1.00 0.00 C ATOM 1699 CG LYS B 50 1.728 -8.165 -15.356 1.00 0.00 C ATOM 1700 CD LYS B 50 0.571 -8.493 -16.311 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.756 -7.985 -15.738 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.883 -8.522 -16.551 1.00 0.00 N ATOM 0 H LYS B 50 2.173 -6.556 -12.814 1.00 0.00 H new ATOM 0 HA LYS B 50 4.005 -7.043 -14.939 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.113 -6.180 -14.744 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.936 -6.222 -16.291 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.642 -8.651 -15.698 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.512 -8.557 -14.362 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.753 -8.036 -17.283 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.517 -9.570 -16.470 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.860 -8.299 -14.699 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.775 -6.895 -15.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.786 -8.206 -16.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.803 -8.174 -17.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -1.847 -9.561 -16.550 1.00 0.00 H new ATOM 1716 N LEU B 51 3.121 -3.942 -14.203 1.00 0.00 N ATOM 1717 CA LEU B 51 3.472 -2.544 -14.428 1.00 0.00 C ATOM 1718 C LEU B 51 4.884 -2.313 -13.980 1.00 0.00 C ATOM 1719 O LEU B 51 5.670 -1.635 -14.641 1.00 0.00 O ATOM 1720 CB LEU B 51 2.534 -1.614 -13.655 1.00 0.00 C ATOM 1721 CG LEU B 51 1.660 -0.859 -14.644 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.550 0.082 -15.475 1.00 0.00 C ATOM 1723 CD2 LEU B 51 0.925 -1.868 -15.549 1.00 0.00 C ATOM 0 H LEU B 51 2.438 -4.098 -13.462 1.00 0.00 H new ATOM 0 HA LEU B 51 3.374 -2.326 -15.491 1.00 0.00 H new ATOM 0 HB2 LEU B 51 1.914 -2.190 -12.968 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.111 -0.914 -13.052 1.00 0.00 H new ATOM 0 HG LEU B 51 0.914 -0.264 -14.118 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.934 0.629 -16.189 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.052 0.787 -14.813 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.295 -0.503 -16.013 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.297 -1.330 -16.259 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.655 -2.469 -16.092 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.302 -2.520 -14.936 1.00 0.00 H new ATOM 1735 N ASN B 52 5.198 -2.940 -12.871 1.00 0.00 N ATOM 1736 CA ASN B 52 6.519 -2.890 -12.318 1.00 0.00 C ATOM 1737 C ASN B 52 7.443 -3.448 -13.356 1.00 0.00 C ATOM 1738 O ASN B 52 8.482 -2.880 -13.672 1.00 0.00 O ATOM 1739 CB ASN B 52 6.550 -3.764 -11.075 1.00 0.00 C ATOM 1740 CG ASN B 52 7.976 -4.136 -10.714 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.501 -5.146 -11.180 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.624 -3.379 -9.909 1.00 0.00 N ATOM 0 H ASN B 52 4.538 -3.499 -12.330 1.00 0.00 H new ATOM 0 HA ASN B 52 6.813 -1.876 -12.048 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.085 -3.236 -10.242 1.00 0.00 H new ATOM 0 HB3 ASN B 52 5.966 -4.668 -11.246 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.583 -3.612 -9.650 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.181 -2.543 -9.527 1.00 0.00 H new ATOM 1749 N ASP B 53 6.991 -4.562 -13.902 1.00 0.00 N ATOM 1750 CA ASP B 53 7.726 -5.239 -14.963 1.00 0.00 C ATOM 1751 C ASP B 53 7.820 -4.329 -16.181 1.00 0.00 C ATOM 1752 O ASP B 53 8.838 -4.294 -16.874 1.00 0.00 O ATOM 1753 CB ASP B 53 7.036 -6.545 -15.362 1.00 0.00 C ATOM 1754 CG ASP B 53 7.909 -7.310 -16.358 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.833 -7.976 -15.919 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.652 -7.205 -17.546 1.00 0.00 O ATOM 0 H ASP B 53 6.120 -5.019 -13.631 1.00 0.00 H new ATOM 0 HA ASP B 53 8.724 -5.472 -14.592 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.856 -7.157 -14.478 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.063 -6.332 -15.806 1.00 0.00 H new ATOM 1761 N ALA B 54 6.736 -3.592 -16.420 1.00 0.00 N ATOM 1762 CA ALA B 54 6.658 -2.669 -17.542 1.00 0.00 C ATOM 1763 C ALA B 54 7.711 -1.580 -17.396 1.00 0.00 C ATOM 1764 O ALA B 54 8.333 -1.167 -18.377 1.00 0.00 O ATOM 1765 CB ALA B 54 5.261 -2.050 -17.588 1.00 0.00 C ATOM 0 H ALA B 54 5.895 -3.620 -15.844 1.00 0.00 H new ATOM 0 HA ALA B 54 6.845 -3.208 -18.471 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.197 -1.357 -18.427 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.518 -2.838 -17.711 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.070 -1.513 -16.659 1.00 0.00 H new ATOM 1771 N GLN B 55 7.912 -1.131 -16.156 1.00 0.00 N ATOM 1772 CA GLN B 55 8.898 -0.099 -15.867 1.00 0.00 C ATOM 1773 C GLN B 55 10.260 -0.716 -15.549 1.00 0.00 C ATOM 1774 O GLN B 55 11.267 -0.006 -15.473 1.00 0.00 O ATOM 1775 CB GLN B 55 8.408 0.721 -14.694 1.00 0.00 C ATOM 1776 CG GLN B 55 7.146 1.482 -15.096 1.00 0.00 C ATOM 1777 CD GLN B 55 6.284 1.713 -13.870 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.061 2.854 -13.465 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.788 0.683 -13.246 1.00 0.00 N ATOM 0 H GLN B 55 7.403 -1.468 -15.339 1.00 0.00 H new ATOM 0 HA GLN B 55 9.021 0.538 -16.743 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.198 0.071 -13.845 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.182 1.420 -14.377 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.413 2.436 -15.551 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.590 0.916 -15.844 1.00 0.00 H new ATOM 0 HE21 GLN B 55 5.977 -0.260 -13.587 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.211 0.819 -12.416 1.00 0.00 H new ATOM 1788 N ALA B 56 10.283 -2.039 -15.369 1.00 0.00 N ATOM 1789 CA ALA B 56 11.527 -2.747 -15.066 1.00 0.00 C ATOM 1790 C ALA B 56 12.371 -2.903 -16.316 1.00 0.00 C ATOM 1791 O ALA B 56 11.893 -2.678 -17.432 1.00 0.00 O ATOM 1792 CB ALA B 56 11.241 -4.142 -14.498 1.00 0.00 C ATOM 0 H ALA B 56 9.459 -2.638 -15.428 1.00 0.00 H new ATOM 0 HA ALA B 56 12.065 -2.155 -14.326 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.183 -4.647 -14.281 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.660 -4.049 -13.581 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.677 -4.723 -15.228 1.00 0.00 H new ATOM 1798 N PRO B 57 13.610 -3.293 -16.154 1.00 0.00 N ATOM 1799 CA PRO B 57 14.540 -3.494 -17.276 1.00 0.00 C ATOM 1800 C PRO B 57 14.340 -4.869 -17.906 1.00 0.00 C ATOM 1801 O PRO B 57 13.644 -5.724 -17.350 1.00 0.00 O ATOM 1802 CB PRO B 57 15.930 -3.366 -16.628 1.00 0.00 C ATOM 1803 CG PRO B 57 15.697 -3.123 -15.170 1.00 0.00 C ATOM 1804 CD PRO B 57 14.283 -3.595 -14.893 1.00 0.00 C ATOM 0 HA PRO B 57 14.393 -2.779 -18.085 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.515 -4.273 -16.782 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.492 -2.545 -17.073 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.418 -3.670 -14.562 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.811 -2.067 -14.927 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.247 -4.658 -14.656 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.833 -3.065 -14.053 1.00 0.00 H new ATOM 1812 N LYS B 58 14.945 -5.062 -19.065 1.00 0.00 N ATOM 1813 CA LYS B 58 14.839 -6.321 -19.791 1.00 0.00 C ATOM 1814 C LYS B 58 16.165 -6.660 -20.476 1.00 0.00 C ATOM 1815 O LYS B 58 16.763 -5.764 -21.051 1.00 0.00 O ATOM 1816 CB LYS B 58 13.725 -6.212 -20.835 1.00 0.00 C ATOM 1817 CG LYS B 58 12.410 -6.805 -20.290 1.00 0.00 C ATOM 1818 CD LYS B 58 11.479 -5.676 -19.820 1.00 0.00 C ATOM 1819 CE LYS B 58 10.341 -6.252 -18.967 1.00 0.00 C ATOM 1820 NZ LYS B 58 10.732 -6.226 -17.528 1.00 0.00 N ATOM 1821 OXT LYS B 58 16.563 -7.813 -20.416 1.00 0.00 O ATOM 0 H LYS B 58 15.520 -4.358 -19.529 1.00 0.00 H new ATOM 0 HA LYS B 58 14.603 -7.118 -19.086 1.00 0.00 H new ATOM 0 HB2 LYS B 58 13.574 -5.167 -21.106 1.00 0.00 H new ATOM 0 HB3 LYS B 58 14.018 -6.738 -21.744 1.00 0.00 H new ATOM 0 HG2 LYS B 58 11.919 -7.394 -21.064 1.00 0.00 H new ATOM 0 HG3 LYS B 58 12.622 -7.481 -19.462 1.00 0.00 H new ATOM 0 HD2 LYS B 58 12.044 -4.945 -19.241 1.00 0.00 H new ATOM 0 HD3 LYS B 58 11.068 -5.151 -20.682 1.00 0.00 H new ATOM 0 HE2 LYS B 58 9.431 -5.672 -19.117 1.00 0.00 H new ATOM 0 HE3 LYS B 58 10.122 -7.274 -19.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 10.517 -7.146 -17.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 11.751 -6.035 -17.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 10.200 -5.479 -17.037 1.00 0.00 H new TER 1835 LYS B 58