USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 848 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 49 THR OG1 : rot -40:sc= 0.623 USER MOD Set 1.2: B 51 THR OG1 : rot 49:sc= 1.22 USER MOD Set 2.1: B 8 ASN : amide:sc= 0.604 K(o=0.6,f=0) USER MOD Set 2.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 1 MET CE :methyl 173:sc= -0.749 (180deg=-0.804) USER MOD Set 3.2: B 3 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: B 50 LYS NZ :NH3+ 150:sc= 1.17 (180deg=-0.169) USER MOD Set 4.1: A 49 THR OG1 : rot -34:sc= 0.581 USER MOD Set 4.2: A 51 THR OG1 : rot 59:sc= 1.1 USER MOD Set 5.1: A 8 ASN : amide:sc= 0.824 K(o=0.82,f=0) USER MOD Set 5.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc=-0.00209 (180deg=-0.00209) USER MOD Single : A 1 MET N :NH3+ 177:sc= 0.872 (180deg=0.863) USER MOD Single : A 2 GLN : amide:sc= 0.0505 X(o=0.05,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= 0.93 (180deg=0.841) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 1.13 (180deg=0.982) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 25 THR OG1 : rot 64:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.904) USER MOD Single : A 32 GLN : amide:sc= 0.0438 X(o=0.044,f=-0.12) USER MOD Single : A 33 TYR OH : rot -77:sc= 0.063 USER MOD Single : A 35 ASN : amide:sc= -0.0162 K(o=-0.016,f=-2.3!) USER MOD Single : A 37 ASN : amide:sc= 0.032 K(o=0.032,f=-8.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 0.055 (180deg=0.0546) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 172:sc= 0.552 (180deg=0.518) USER MOD Single : B 2 GLN : amide:sc= 0.637 K(o=0.64,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 166:sc= 0.935 (180deg=0.805) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot -170:sc= -0.119 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 50:sc= 1.22 USER MOD Single : B 25 THR OG1 : rot -140:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -142:sc= 0.225 (180deg=0.0116) USER MOD Single : B 32 GLN : amide:sc= 0.181 X(o=0.18,f=0) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.688 K(o=0.69,f=0) USER MOD Single : B 37 ASN : amide:sc= 0.436 X(o=0.44,f=0) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -145:sc= 1.27 USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.022 9.453 -16.882 1.00 0.00 N ATOM 2 CA MET A 1 -5.044 8.403 -16.649 1.00 0.00 C ATOM 3 C MET A 1 -4.856 7.791 -15.264 1.00 0.00 C ATOM 4 O MET A 1 -3.723 7.580 -14.833 1.00 0.00 O ATOM 5 CB MET A 1 -5.013 7.335 -17.761 1.00 0.00 C ATOM 6 CG MET A 1 -6.128 6.289 -17.628 1.00 0.00 C ATOM 7 SD MET A 1 -7.806 6.984 -17.535 1.00 0.00 S ATOM 8 CE MET A 1 -8.759 5.474 -17.223 1.00 0.00 C ATOM 0 H1 MET A 1 -4.125 9.830 -17.846 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.152 10.222 -16.194 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.072 9.044 -16.769 1.00 0.00 H new ATOM 0 HA MET A 1 -6.032 8.861 -16.684 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.099 7.827 -18.730 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.047 6.831 -17.744 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.076 5.611 -18.480 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.945 5.693 -16.734 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.817 5.722 -17.139 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.615 4.776 -18.048 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.419 5.014 -16.295 1.00 0.00 H new ATOM 20 N GLN A 2 -5.955 7.504 -14.560 1.00 0.00 N ATOM 21 CA GLN A 2 -5.941 6.780 -13.276 1.00 0.00 C ATOM 22 C GLN A 2 -5.636 5.281 -13.484 1.00 0.00 C ATOM 23 O GLN A 2 -6.217 4.641 -14.364 1.00 0.00 O ATOM 24 CB GLN A 2 -7.303 6.940 -12.571 1.00 0.00 C ATOM 25 CG GLN A 2 -7.242 6.653 -11.062 1.00 0.00 C ATOM 26 CD GLN A 2 -6.942 7.902 -10.261 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.836 8.640 -9.868 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.686 8.174 -9.993 1.00 0.00 N ATOM 0 H GLN A 2 -6.892 7.769 -14.865 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.153 7.206 -12.655 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.668 7.955 -12.727 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.025 6.267 -13.033 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.192 6.231 -10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.476 5.903 -10.866 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.948 7.553 -10.325 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.448 9.006 -9.453 1.00 0.00 H new ATOM 37 N TYR A 3 -4.745 4.721 -12.667 1.00 0.00 N ATOM 38 CA TYR A 3 -4.457 3.282 -12.555 1.00 0.00 C ATOM 39 C TYR A 3 -4.612 2.788 -11.104 1.00 0.00 C ATOM 40 O TYR A 3 -4.515 3.586 -10.166 1.00 0.00 O ATOM 41 CB TYR A 3 -3.047 3.006 -13.091 1.00 0.00 C ATOM 42 CG TYR A 3 -2.876 3.315 -14.569 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.488 4.603 -14.986 1.00 0.00 C ATOM 44 CD2 TYR A 3 -3.127 2.318 -15.530 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.382 4.900 -16.357 1.00 0.00 C ATOM 46 CE2 TYR A 3 -3.036 2.623 -16.902 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.680 3.918 -17.312 1.00 0.00 C ATOM 48 OH TYR A 3 -2.633 4.224 -18.638 1.00 0.00 O ATOM 0 H TYR A 3 -4.174 5.280 -12.033 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.180 2.728 -13.154 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.331 3.598 -12.521 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.803 1.958 -12.919 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.271 5.365 -14.252 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.389 1.319 -15.215 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.071 5.885 -16.674 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.240 1.860 -17.639 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.866 3.431 -19.165 1.00 0.00 H new ATOM 58 N LYS A 4 -4.790 1.480 -10.899 1.00 0.00 N ATOM 59 CA LYS A 4 -5.049 0.864 -9.585 1.00 0.00 C ATOM 60 C LYS A 4 -4.204 -0.408 -9.334 1.00 0.00 C ATOM 61 O LYS A 4 -3.859 -1.128 -10.269 1.00 0.00 O ATOM 62 CB LYS A 4 -6.561 0.571 -9.510 1.00 0.00 C ATOM 63 CG LYS A 4 -7.024 0.054 -8.139 1.00 0.00 C ATOM 64 CD LYS A 4 -8.526 -0.241 -8.103 1.00 0.00 C ATOM 65 CE LYS A 4 -8.854 -0.789 -6.711 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.259 -1.212 -6.580 1.00 0.00 N ATOM 0 H LYS A 4 -4.758 0.799 -11.658 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.749 1.553 -8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.111 1.481 -9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.817 -0.166 -10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.472 -0.853 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.783 0.793 -7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.099 0.664 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.793 -0.965 -8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.203 -1.636 -6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.638 -0.024 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.377 -1.756 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.873 -0.373 -6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.520 -1.806 -7.393 1.00 0.00 H new ATOM 80 N LEU A 5 -3.925 -0.716 -8.063 1.00 0.00 N ATOM 81 CA LEU A 5 -3.147 -1.862 -7.573 1.00 0.00 C ATOM 82 C LEU A 5 -3.917 -2.583 -6.450 1.00 0.00 C ATOM 83 O LEU A 5 -4.355 -1.952 -5.485 1.00 0.00 O ATOM 84 CB LEU A 5 -1.803 -1.308 -7.058 1.00 0.00 C ATOM 85 CG LEU A 5 -0.615 -2.252 -6.793 1.00 0.00 C ATOM 86 CD1 LEU A 5 -0.808 -3.201 -5.614 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.236 -3.067 -8.025 1.00 0.00 C ATOM 0 H LEU A 5 -4.259 -0.132 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.976 -2.591 -8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.466 -0.562 -7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.009 -0.781 -6.126 1.00 0.00 H new ATOM 0 HG LEU A 5 0.197 -1.572 -6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.077 -3.827 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.961 -2.623 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.678 -3.832 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.606 -3.717 -7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.086 -3.674 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.043 -2.393 -8.835 1.00 0.00 H new ATOM 99 N ILE A 6 -4.059 -3.903 -6.553 1.00 0.00 N ATOM 100 CA ILE A 6 -4.650 -4.780 -5.531 1.00 0.00 C ATOM 101 C ILE A 6 -3.540 -5.654 -4.935 1.00 0.00 C ATOM 102 O ILE A 6 -2.792 -6.302 -5.673 1.00 0.00 O ATOM 103 CB ILE A 6 -5.779 -5.647 -6.136 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.843 -4.762 -6.825 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.406 -6.537 -5.039 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.929 -5.549 -7.565 1.00 0.00 C ATOM 0 H ILE A 6 -3.755 -4.416 -7.381 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.098 -4.176 -4.742 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.354 -6.297 -6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.316 -4.130 -6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.345 -4.098 -7.532 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.200 -7.144 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.640 -7.188 -4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.820 -5.907 -4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.635 -4.855 -8.020 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.470 -6.161 -8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.456 -6.193 -6.861 1.00 0.00 H new ATOM 118 N LEU A 7 -3.430 -5.670 -3.609 1.00 0.00 N ATOM 119 CA LEU A 7 -2.360 -6.321 -2.862 1.00 0.00 C ATOM 120 C LEU A 7 -2.903 -7.507 -2.039 1.00 0.00 C ATOM 121 O LEU A 7 -3.752 -7.358 -1.155 1.00 0.00 O ATOM 122 CB LEU A 7 -1.642 -5.244 -2.033 1.00 0.00 C ATOM 123 CG LEU A 7 -0.379 -5.717 -1.296 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.707 -6.243 -2.235 1.00 0.00 C ATOM 125 CD2 LEU A 7 0.207 -4.532 -0.538 1.00 0.00 C ATOM 0 H LEU A 7 -4.111 -5.212 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.624 -6.771 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.370 -4.421 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.343 -4.846 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.680 -6.533 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.571 -6.560 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.320 -7.091 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.006 -5.453 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.105 -4.848 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.461 -3.739 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.526 -4.160 0.178 1.00 0.00 H new ATOM 137 N ASN A 8 -2.369 -8.680 -2.368 1.00 0.00 N ATOM 138 CA ASN A 8 -2.668 -9.961 -1.740 1.00 0.00 C ATOM 139 C ASN A 8 -1.397 -10.576 -1.130 1.00 0.00 C ATOM 140 O ASN A 8 -0.444 -10.927 -1.831 1.00 0.00 O ATOM 141 CB ASN A 8 -3.380 -10.905 -2.718 1.00 0.00 C ATOM 142 CG ASN A 8 -4.458 -10.263 -3.573 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.647 -10.315 -3.278 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.049 -9.681 -4.676 1.00 0.00 N ATOM 0 H ASN A 8 -1.682 -8.766 -3.117 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.363 -9.794 -0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.634 -11.349 -3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.828 -11.720 -2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.726 -9.258 -5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.054 -9.651 -4.898 1.00 0.00 H new ATOM 151 N GLY A 9 -1.397 -10.701 0.192 1.00 0.00 N ATOM 152 CA GLY A 9 -0.284 -11.238 0.978 1.00 0.00 C ATOM 153 C GLY A 9 -0.686 -11.832 2.328 1.00 0.00 C ATOM 154 O GLY A 9 -1.860 -11.825 2.710 1.00 0.00 O ATOM 0 H GLY A 9 -2.193 -10.424 0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.219 -12.008 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.441 -10.442 1.148 1.00 0.00 H new ATOM 158 N LYS A 10 0.296 -12.379 3.040 1.00 0.00 N ATOM 159 CA LYS A 10 0.128 -13.073 4.325 1.00 0.00 C ATOM 160 C LYS A 10 0.497 -12.161 5.515 1.00 0.00 C ATOM 161 O LYS A 10 -0.193 -12.143 6.537 1.00 0.00 O ATOM 162 CB LYS A 10 0.997 -14.346 4.331 1.00 0.00 C ATOM 163 CG LYS A 10 0.782 -15.311 3.147 1.00 0.00 C ATOM 164 CD LYS A 10 -0.666 -15.820 3.023 1.00 0.00 C ATOM 165 CE LYS A 10 -0.809 -16.966 2.008 1.00 0.00 C ATOM 166 NZ LYS A 10 -0.543 -16.545 0.615 1.00 0.00 N ATOM 0 H LYS A 10 1.268 -12.353 2.731 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.922 -13.344 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.045 -14.048 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.807 -14.889 5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.062 -14.806 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.450 -16.165 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.012 -16.160 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.312 -14.994 2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.122 -17.768 2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.817 -17.375 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.655 -17.360 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.215 -15.799 0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.428 -16.180 0.542 1.00 0.00 H new ATOM 180 N THR A 11 1.545 -11.349 5.356 1.00 0.00 N ATOM 181 CA THR A 11 1.966 -10.298 6.308 1.00 0.00 C ATOM 182 C THR A 11 1.087 -9.036 6.219 1.00 0.00 C ATOM 183 O THR A 11 0.859 -8.344 7.214 1.00 0.00 O ATOM 184 CB THR A 11 3.421 -9.885 5.987 1.00 0.00 C ATOM 185 OG1 THR A 11 4.277 -11.007 6.035 1.00 0.00 O ATOM 186 CG2 THR A 11 4.010 -8.828 6.922 1.00 0.00 C ATOM 0 H THR A 11 2.149 -11.400 4.536 1.00 0.00 H new ATOM 0 HA THR A 11 1.871 -10.713 7.311 1.00 0.00 H new ATOM 0 HB THR A 11 3.362 -9.451 4.989 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.193 -10.728 5.828 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.032 -8.603 6.619 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.408 -7.921 6.871 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.010 -9.206 7.944 1.00 0.00 H new ATOM 194 N LEU A 12 0.609 -8.721 5.011 1.00 0.00 N ATOM 195 CA LEU A 12 -0.183 -7.526 4.701 1.00 0.00 C ATOM 196 C LEU A 12 -1.134 -7.760 3.505 1.00 0.00 C ATOM 197 O LEU A 12 -0.831 -8.549 2.608 1.00 0.00 O ATOM 198 CB LEU A 12 0.817 -6.364 4.511 1.00 0.00 C ATOM 199 CG LEU A 12 0.195 -4.971 4.292 1.00 0.00 C ATOM 200 CD1 LEU A 12 1.030 -3.893 4.982 1.00 0.00 C ATOM 201 CD2 LEU A 12 0.141 -4.630 2.808 1.00 0.00 C ATOM 0 H LEU A 12 0.768 -9.311 4.194 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.862 -7.272 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.463 -6.319 5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.454 -6.594 3.657 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.811 -4.999 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.574 -2.917 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.073 -4.095 6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.040 -3.896 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.302 -3.643 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.151 -4.632 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.465 -5.371 2.286 1.00 0.00 H new ATOM 213 N LYS A 13 -2.260 -7.048 3.468 1.00 0.00 N ATOM 214 CA LYS A 13 -3.224 -6.998 2.352 1.00 0.00 C ATOM 215 C LYS A 13 -3.664 -5.539 2.106 1.00 0.00 C ATOM 216 O LYS A 13 -3.589 -4.728 3.029 1.00 0.00 O ATOM 217 CB LYS A 13 -4.465 -7.846 2.693 1.00 0.00 C ATOM 218 CG LYS A 13 -4.176 -9.314 3.052 1.00 0.00 C ATOM 219 CD LYS A 13 -5.491 -10.058 3.343 1.00 0.00 C ATOM 220 CE LYS A 13 -5.285 -11.449 3.960 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.636 -12.401 3.036 1.00 0.00 N ATOM 0 H LYS A 13 -2.545 -6.459 4.250 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.746 -7.393 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.985 -7.380 3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.146 -7.824 1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.649 -9.800 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.522 -9.361 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.098 -9.456 4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.054 -10.161 2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.678 -11.354 4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.251 -11.851 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.736 -13.367 3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.088 -12.341 2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.627 -12.166 2.948 1.00 0.00 H new ATOM 235 N GLY A 14 -4.146 -5.175 0.914 1.00 0.00 N ATOM 236 CA GLY A 14 -4.602 -3.795 0.651 1.00 0.00 C ATOM 237 C GLY A 14 -4.989 -3.452 -0.793 1.00 0.00 C ATOM 238 O GLY A 14 -5.014 -4.312 -1.674 1.00 0.00 O ATOM 0 H GLY A 14 -4.233 -5.807 0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.463 -3.596 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.811 -3.112 0.961 1.00 0.00 H new ATOM 242 N GLU A 15 -5.276 -2.167 -1.030 1.00 0.00 N ATOM 243 CA GLU A 15 -5.595 -1.561 -2.345 1.00 0.00 C ATOM 244 C GLU A 15 -5.066 -0.128 -2.445 1.00 0.00 C ATOM 245 O GLU A 15 -5.220 0.660 -1.510 1.00 0.00 O ATOM 246 CB GLU A 15 -7.114 -1.505 -2.589 1.00 0.00 C ATOM 247 CG GLU A 15 -7.762 -2.876 -2.774 1.00 0.00 C ATOM 248 CD GLU A 15 -9.262 -2.717 -2.972 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.687 -2.463 -4.121 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.011 -2.852 -1.980 1.00 0.00 O ATOM 0 H GLU A 15 -5.295 -1.479 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.116 -2.195 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.589 -1.000 -1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.308 -0.900 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.324 -3.382 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.566 -3.501 -1.903 1.00 0.00 H new ATOM 257 N THR A 16 -4.469 0.214 -3.585 1.00 0.00 N ATOM 258 CA THR A 16 -3.902 1.553 -3.857 1.00 0.00 C ATOM 259 C THR A 16 -4.179 2.063 -5.282 1.00 0.00 C ATOM 260 O THR A 16 -4.553 1.306 -6.180 1.00 0.00 O ATOM 261 CB THR A 16 -2.385 1.637 -3.564 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.614 1.113 -4.612 1.00 0.00 O ATOM 263 CG2 THR A 16 -1.921 0.909 -2.301 1.00 0.00 C ATOM 0 H THR A 16 -4.359 -0.435 -4.364 1.00 0.00 H new ATOM 0 HA THR A 16 -4.427 2.207 -3.161 1.00 0.00 H new ATOM 0 HB THR A 16 -2.234 2.708 -3.432 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.663 1.187 -4.387 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.844 1.029 -2.187 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.427 1.330 -1.432 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.161 -0.151 -2.383 1.00 0.00 H new ATOM 271 N THR A 17 -4.046 3.372 -5.494 1.00 0.00 N ATOM 272 CA THR A 17 -4.418 4.072 -6.739 1.00 0.00 C ATOM 273 C THR A 17 -3.475 5.251 -7.020 1.00 0.00 C ATOM 274 O THR A 17 -3.070 5.966 -6.095 1.00 0.00 O ATOM 275 CB THR A 17 -5.873 4.604 -6.665 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.734 3.750 -5.936 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.517 4.779 -8.035 1.00 0.00 C ATOM 0 H THR A 17 -3.665 4.001 -4.787 1.00 0.00 H new ATOM 0 HA THR A 17 -4.336 3.346 -7.547 1.00 0.00 H new ATOM 0 HB THR A 17 -5.765 5.567 -6.165 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.636 4.132 -5.919 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.533 5.154 -7.914 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.936 5.490 -8.622 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.543 3.819 -8.550 1.00 0.00 H new ATOM 285 N THR A 18 -3.122 5.477 -8.291 1.00 0.00 N ATOM 286 CA THR A 18 -2.194 6.525 -8.764 1.00 0.00 C ATOM 287 C THR A 18 -2.631 7.055 -10.145 1.00 0.00 C ATOM 288 O THR A 18 -3.466 6.444 -10.813 1.00 0.00 O ATOM 289 CB THR A 18 -0.753 5.963 -8.884 1.00 0.00 C ATOM 290 OG1 THR A 18 0.194 6.998 -9.007 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.538 5.029 -10.082 1.00 0.00 C ATOM 0 H THR A 18 -3.489 4.912 -9.057 1.00 0.00 H new ATOM 0 HA THR A 18 -2.213 7.336 -8.037 1.00 0.00 H new ATOM 0 HB THR A 18 -0.618 5.395 -7.964 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.402 7.359 -8.120 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.495 4.681 -10.091 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.208 4.173 -10.001 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.748 5.568 -11.006 1.00 0.00 H new ATOM 299 N GLU A 19 -2.079 8.187 -10.586 1.00 0.00 N ATOM 300 CA GLU A 19 -2.215 8.726 -11.959 1.00 0.00 C ATOM 301 C GLU A 19 -0.849 8.873 -12.623 1.00 0.00 C ATOM 302 O GLU A 19 0.064 9.488 -12.069 1.00 0.00 O ATOM 303 CB GLU A 19 -3.026 10.031 -11.992 1.00 0.00 C ATOM 304 CG GLU A 19 -2.999 10.700 -13.372 1.00 0.00 C ATOM 305 CD GLU A 19 -4.277 11.468 -13.663 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.619 12.395 -12.895 1.00 0.00 O ATOM 307 OE2 GLU A 19 -4.911 11.149 -14.695 1.00 0.00 O ATOM 0 H GLU A 19 -1.505 8.779 -9.986 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.785 8.004 -12.543 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.059 9.821 -11.713 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.629 10.722 -11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.148 11.379 -13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.851 9.940 -14.139 1.00 0.00 H new ATOM 314 N ALA A 20 -0.717 8.278 -13.808 1.00 0.00 N ATOM 315 CA ALA A 20 0.498 8.207 -14.599 1.00 0.00 C ATOM 316 C ALA A 20 0.215 8.492 -16.085 1.00 0.00 C ATOM 317 O ALA A 20 -0.938 8.503 -16.534 1.00 0.00 O ATOM 318 CB ALA A 20 1.088 6.811 -14.412 1.00 0.00 C ATOM 0 H ALA A 20 -1.501 7.809 -14.261 1.00 0.00 H new ATOM 0 HA ALA A 20 1.206 8.966 -14.266 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.005 6.723 -14.994 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.311 6.648 -13.357 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.370 6.064 -14.750 1.00 0.00 H new ATOM 324 N VAL A 21 1.288 8.699 -16.851 1.00 0.00 N ATOM 325 CA VAL A 21 1.177 8.933 -18.307 1.00 0.00 C ATOM 326 C VAL A 21 0.653 7.685 -19.035 1.00 0.00 C ATOM 327 O VAL A 21 -0.214 7.804 -19.905 1.00 0.00 O ATOM 328 CB VAL A 21 2.488 9.465 -18.911 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.658 8.525 -18.640 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.387 9.739 -20.416 1.00 0.00 C ATOM 0 H VAL A 21 2.244 8.711 -16.496 1.00 0.00 H new ATOM 0 HA VAL A 21 0.438 9.720 -18.456 1.00 0.00 H new ATOM 0 HB VAL A 21 2.671 10.416 -18.411 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.565 8.936 -19.083 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.796 8.417 -17.564 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.450 7.549 -19.079 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.343 10.112 -20.783 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.133 8.816 -20.938 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.613 10.484 -20.599 1.00 0.00 H new ATOM 340 N ASP A 22 1.098 6.485 -18.636 1.00 0.00 N ATOM 341 CA ASP A 22 0.677 5.195 -19.196 1.00 0.00 C ATOM 342 C ASP A 22 0.804 4.042 -18.179 1.00 0.00 C ATOM 343 O ASP A 22 1.399 4.187 -17.107 1.00 0.00 O ATOM 344 CB ASP A 22 1.557 4.888 -20.429 1.00 0.00 C ATOM 345 CG ASP A 22 2.914 4.245 -20.070 1.00 0.00 C ATOM 346 OD1 ASP A 22 3.657 4.796 -19.220 1.00 0.00 O ATOM 347 OD2 ASP A 22 3.184 3.137 -20.583 1.00 0.00 O ATOM 0 H ASP A 22 1.785 6.384 -17.889 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.376 5.270 -19.469 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.013 4.221 -21.097 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.736 5.813 -20.978 1.00 0.00 H new ATOM 352 N ALA A 23 0.292 2.877 -18.569 1.00 0.00 N ATOM 353 CA ALA A 23 0.313 1.647 -17.780 1.00 0.00 C ATOM 354 C ALA A 23 1.718 1.217 -17.326 1.00 0.00 C ATOM 355 O ALA A 23 1.845 0.666 -16.237 1.00 0.00 O ATOM 356 CB ALA A 23 -0.366 0.528 -18.578 1.00 0.00 C ATOM 0 H ALA A 23 -0.164 2.759 -19.474 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.236 1.849 -16.860 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.354 -0.393 -17.995 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.397 0.808 -18.793 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.170 0.372 -19.514 1.00 0.00 H new ATOM 362 N ALA A 24 2.782 1.484 -18.092 1.00 0.00 N ATOM 363 CA ALA A 24 4.141 1.134 -17.710 1.00 0.00 C ATOM 364 C ALA A 24 4.711 2.124 -16.685 1.00 0.00 C ATOM 365 O ALA A 24 5.453 1.714 -15.795 1.00 0.00 O ATOM 366 CB ALA A 24 5.045 1.027 -18.942 1.00 0.00 C ATOM 0 H ALA A 24 2.717 1.951 -18.996 1.00 0.00 H new ATOM 0 HA ALA A 24 4.108 0.155 -17.231 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.056 0.764 -18.630 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.660 0.257 -19.610 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.064 1.984 -19.464 1.00 0.00 H new ATOM 372 N THR A 25 4.339 3.408 -16.721 1.00 0.00 N ATOM 373 CA THR A 25 4.665 4.372 -15.656 1.00 0.00 C ATOM 374 C THR A 25 3.903 4.067 -14.358 1.00 0.00 C ATOM 375 O THR A 25 4.517 3.997 -13.296 1.00 0.00 O ATOM 376 CB THR A 25 4.411 5.807 -16.128 1.00 0.00 C ATOM 377 OG1 THR A 25 5.098 6.043 -17.338 1.00 0.00 O ATOM 378 CG2 THR A 25 4.906 6.849 -15.120 1.00 0.00 C ATOM 0 H THR A 25 3.803 3.812 -17.489 1.00 0.00 H new ATOM 0 HA THR A 25 5.727 4.271 -15.432 1.00 0.00 H new ATOM 0 HB THR A 25 3.332 5.906 -16.248 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.738 5.459 -18.038 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.703 7.850 -15.501 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.389 6.711 -14.170 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.979 6.729 -14.970 1.00 0.00 H new ATOM 386 N ALA A 26 2.597 3.775 -14.407 1.00 0.00 N ATOM 387 CA ALA A 26 1.850 3.327 -13.218 1.00 0.00 C ATOM 388 C ALA A 26 2.355 1.986 -12.639 1.00 0.00 C ATOM 389 O ALA A 26 2.467 1.839 -11.423 1.00 0.00 O ATOM 390 CB ALA A 26 0.369 3.216 -13.567 1.00 0.00 C ATOM 0 H ALA A 26 2.034 3.840 -15.255 1.00 0.00 H new ATOM 0 HA ALA A 26 2.011 4.075 -12.442 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.188 2.885 -12.690 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.003 4.189 -13.887 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.238 2.495 -14.374 1.00 0.00 H new ATOM 396 N GLU A 27 2.760 1.069 -13.527 1.00 0.00 N ATOM 397 CA GLU A 27 3.468 -0.176 -13.146 1.00 0.00 C ATOM 398 C GLU A 27 4.805 0.135 -12.484 1.00 0.00 C ATOM 399 O GLU A 27 5.132 -0.452 -11.454 1.00 0.00 O ATOM 400 CB GLU A 27 3.699 -1.146 -14.318 1.00 0.00 C ATOM 401 CG GLU A 27 4.104 -2.539 -13.826 1.00 0.00 C ATOM 402 CD GLU A 27 4.602 -3.393 -14.982 1.00 0.00 C ATOM 403 OE1 GLU A 27 3.771 -3.894 -15.770 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.836 -3.588 -15.071 1.00 0.00 O ATOM 0 H GLU A 27 2.610 1.162 -14.532 1.00 0.00 H new ATOM 0 HA GLU A 27 2.804 -0.676 -12.440 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.789 -1.220 -14.914 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.477 -0.750 -14.971 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.884 -2.451 -13.070 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.252 -3.024 -13.350 1.00 0.00 H new ATOM 411 N LYS A 28 5.560 1.104 -13.008 1.00 0.00 N ATOM 412 CA LYS A 28 6.822 1.536 -12.385 1.00 0.00 C ATOM 413 C LYS A 28 6.601 2.158 -10.989 1.00 0.00 C ATOM 414 O LYS A 28 7.297 1.789 -10.039 1.00 0.00 O ATOM 415 CB LYS A 28 7.543 2.497 -13.349 1.00 0.00 C ATOM 416 CG LYS A 28 8.881 3.034 -12.817 1.00 0.00 C ATOM 417 CD LYS A 28 9.616 3.895 -13.861 1.00 0.00 C ATOM 418 CE LYS A 28 8.830 5.152 -14.261 1.00 0.00 C ATOM 419 NZ LYS A 28 9.569 5.972 -15.245 1.00 0.00 N ATOM 0 H LYS A 28 5.322 1.607 -13.863 1.00 0.00 H new ATOM 0 HA LYS A 28 7.454 0.665 -12.213 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.720 1.982 -14.293 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.886 3.339 -13.564 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.702 3.627 -11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.516 2.198 -12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.586 4.191 -13.462 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.807 3.294 -14.750 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.867 4.860 -14.681 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.623 5.749 -13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.006 6.811 -15.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.477 6.272 -14.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.745 5.411 -16.103 1.00 0.00 H new ATOM 433 N VAL A 29 5.619 3.054 -10.817 1.00 0.00 N ATOM 434 CA VAL A 29 5.248 3.614 -9.499 1.00 0.00 C ATOM 435 C VAL A 29 4.837 2.509 -8.520 1.00 0.00 C ATOM 436 O VAL A 29 5.422 2.389 -7.445 1.00 0.00 O ATOM 437 CB VAL A 29 4.129 4.671 -9.643 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.592 5.173 -8.296 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.645 5.899 -10.407 1.00 0.00 C ATOM 0 H VAL A 29 5.055 3.415 -11.586 1.00 0.00 H new ATOM 0 HA VAL A 29 6.129 4.108 -9.089 1.00 0.00 H new ATOM 0 HB VAL A 29 3.324 4.169 -10.180 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.810 5.912 -8.469 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.181 4.335 -7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.403 5.629 -7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.844 6.633 -10.499 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.481 6.340 -9.864 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.976 5.597 -11.400 1.00 0.00 H new ATOM 449 N PHE A 30 3.896 1.645 -8.903 1.00 0.00 N ATOM 450 CA PHE A 30 3.463 0.541 -8.042 1.00 0.00 C ATOM 451 C PHE A 30 4.595 -0.446 -7.679 1.00 0.00 C ATOM 452 O PHE A 30 4.665 -0.923 -6.544 1.00 0.00 O ATOM 453 CB PHE A 30 2.309 -0.226 -8.692 1.00 0.00 C ATOM 454 CG PHE A 30 1.008 0.529 -8.909 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.477 1.371 -7.909 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.291 0.339 -10.107 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.759 2.011 -8.109 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.942 0.984 -10.307 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.469 1.810 -9.301 1.00 0.00 C ATOM 0 H PHE A 30 3.419 1.687 -9.803 1.00 0.00 H new ATOM 0 HA PHE A 30 3.135 1.004 -7.111 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.651 -0.595 -9.659 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.094 -1.099 -8.076 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.021 1.524 -6.989 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.691 -0.306 -10.876 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.162 2.658 -7.344 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.482 0.845 -11.232 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.425 2.292 -9.446 1.00 0.00 H new ATOM 469 N LYS A 31 5.521 -0.707 -8.607 1.00 0.00 N ATOM 470 CA LYS A 31 6.714 -1.508 -8.312 1.00 0.00 C ATOM 471 C LYS A 31 7.689 -0.819 -7.346 1.00 0.00 C ATOM 472 O LYS A 31 8.399 -1.510 -6.617 1.00 0.00 O ATOM 473 CB LYS A 31 7.436 -1.925 -9.602 1.00 0.00 C ATOM 474 CG LYS A 31 6.714 -3.121 -10.233 1.00 0.00 C ATOM 475 CD LYS A 31 7.378 -3.586 -11.528 1.00 0.00 C ATOM 476 CE LYS A 31 6.685 -4.872 -11.995 1.00 0.00 C ATOM 477 NZ LYS A 31 7.191 -5.326 -13.304 1.00 0.00 N ATOM 0 H LYS A 31 5.467 -0.375 -9.570 1.00 0.00 H new ATOM 0 HA LYS A 31 6.354 -2.402 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.460 -1.091 -10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.471 -2.187 -9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.694 -3.946 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.678 -2.850 -10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.299 -2.814 -12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.441 -3.766 -11.366 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.839 -5.657 -11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.610 -4.702 -12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.940 -6.325 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.765 -4.751 -14.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.225 -5.222 -13.331 1.00 0.00 H new ATOM 491 N GLN A 32 7.723 0.516 -7.265 1.00 0.00 N ATOM 492 CA GLN A 32 8.577 1.242 -6.306 1.00 0.00 C ATOM 493 C GLN A 32 8.184 0.974 -4.840 1.00 0.00 C ATOM 494 O GLN A 32 9.052 0.780 -3.987 1.00 0.00 O ATOM 495 CB GLN A 32 8.513 2.754 -6.627 1.00 0.00 C ATOM 496 CG GLN A 32 9.878 3.410 -6.861 1.00 0.00 C ATOM 497 CD GLN A 32 10.695 2.776 -7.974 1.00 0.00 C ATOM 498 OE1 GLN A 32 11.889 2.550 -7.825 1.00 0.00 O ATOM 499 NE2 GLN A 32 10.109 2.479 -9.115 1.00 0.00 N ATOM 0 H GLN A 32 7.162 1.126 -7.859 1.00 0.00 H new ATOM 0 HA GLN A 32 9.599 0.879 -6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.897 2.899 -7.515 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.013 3.267 -5.805 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.726 4.464 -7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.452 3.367 -5.935 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.114 2.666 -9.241 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.650 2.062 -9.872 1.00 0.00 H new ATOM 508 N TYR A 33 6.877 0.923 -4.553 1.00 0.00 N ATOM 509 CA TYR A 33 6.324 0.609 -3.224 1.00 0.00 C ATOM 510 C TYR A 33 6.219 -0.911 -2.945 1.00 0.00 C ATOM 511 O TYR A 33 6.441 -1.342 -1.812 1.00 0.00 O ATOM 512 CB TYR A 33 4.904 1.204 -3.108 1.00 0.00 C ATOM 513 CG TYR A 33 4.765 2.722 -3.037 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.066 3.527 -4.155 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.232 3.330 -1.880 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.854 4.917 -4.118 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.011 4.723 -1.846 1.00 0.00 C ATOM 518 CZ TYR A 33 4.320 5.513 -2.966 1.00 0.00 C ATOM 519 OH TYR A 33 4.113 6.856 -2.936 1.00 0.00 O ATOM 0 H TYR A 33 6.156 1.103 -5.252 1.00 0.00 H new ATOM 0 HA TYR A 33 7.012 1.039 -2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.326 0.856 -3.964 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.438 0.784 -2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.464 3.071 -5.050 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.992 2.726 -1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.102 5.525 -4.976 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.604 5.183 -0.958 1.00 0.00 H new ATOM 0 HH TYR A 33 4.967 7.316 -2.795 1.00 0.00 H new ATOM 529 N PHE A 34 5.919 -1.703 -3.984 1.00 0.00 N ATOM 530 CA PHE A 34 5.559 -3.132 -3.869 1.00 0.00 C ATOM 531 C PHE A 34 6.431 -4.167 -4.622 1.00 0.00 C ATOM 532 O PHE A 34 5.906 -5.010 -5.356 1.00 0.00 O ATOM 533 CB PHE A 34 4.051 -3.299 -4.147 1.00 0.00 C ATOM 534 CG PHE A 34 3.160 -2.355 -3.355 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.099 -2.451 -1.950 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.429 -1.348 -4.014 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.336 -1.531 -1.210 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.665 -0.430 -3.273 1.00 0.00 C ATOM 539 CZ PHE A 34 1.623 -0.517 -1.870 1.00 0.00 C ATOM 0 H PHE A 34 5.918 -1.367 -4.947 1.00 0.00 H new ATOM 0 HA PHE A 34 5.796 -3.395 -2.838 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.870 -3.144 -5.211 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.764 -4.326 -3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.640 -3.234 -1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.455 -1.281 -5.092 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.298 -1.604 -0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.109 0.344 -3.782 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.043 0.195 -1.301 1.00 0.00 H new ATOM 549 N ASN A 35 7.756 -4.161 -4.408 1.00 0.00 N ATOM 550 CA ASN A 35 8.676 -5.179 -4.955 1.00 0.00 C ATOM 551 C ASN A 35 9.430 -6.060 -3.922 1.00 0.00 C ATOM 552 O ASN A 35 9.528 -7.270 -4.141 1.00 0.00 O ATOM 553 CB ASN A 35 9.645 -4.515 -5.942 1.00 0.00 C ATOM 554 CG ASN A 35 10.691 -3.632 -5.275 1.00 0.00 C ATOM 555 OD1 ASN A 35 10.411 -2.849 -4.376 1.00 0.00 O ATOM 556 ND2 ASN A 35 11.936 -3.779 -5.672 1.00 0.00 N ATOM 0 H ASN A 35 8.224 -3.448 -3.849 1.00 0.00 H new ATOM 0 HA ASN A 35 8.035 -5.899 -5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.151 -5.290 -6.518 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.074 -3.914 -6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.679 -3.238 -5.230 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.158 -4.434 -6.422 1.00 0.00 H new ATOM 563 N ASP A 36 9.957 -5.507 -2.816 1.00 0.00 N ATOM 564 CA ASP A 36 10.864 -6.235 -1.887 1.00 0.00 C ATOM 565 C ASP A 36 10.742 -5.895 -0.389 1.00 0.00 C ATOM 566 O ASP A 36 11.591 -6.292 0.413 1.00 0.00 O ATOM 567 CB ASP A 36 12.325 -6.131 -2.374 1.00 0.00 C ATOM 568 CG ASP A 36 13.067 -4.806 -2.072 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.431 -3.791 -1.699 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.314 -4.788 -2.219 1.00 0.00 O ATOM 0 H ASP A 36 9.772 -4.545 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 36 10.521 -7.269 -1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.892 -6.948 -1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.336 -6.289 -3.452 1.00 0.00 H new ATOM 575 N ASN A 37 9.672 -5.200 -0.001 1.00 0.00 N ATOM 576 CA ASN A 37 9.305 -4.989 1.412 1.00 0.00 C ATOM 577 C ASN A 37 9.143 -6.344 2.170 1.00 0.00 C ATOM 578 O ASN A 37 9.527 -6.498 3.332 1.00 0.00 O ATOM 579 CB ASN A 37 8.032 -4.112 1.452 1.00 0.00 C ATOM 580 CG ASN A 37 6.883 -4.594 0.566 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.559 -5.771 0.488 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.260 -3.724 -0.194 1.00 0.00 N ATOM 0 H ASN A 37 9.027 -4.762 -0.658 1.00 0.00 H new ATOM 0 HA ASN A 37 10.104 -4.466 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.678 -4.059 2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.299 -3.098 1.154 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.526 -4.036 -0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.510 -2.736 -0.149 1.00 0.00 H new ATOM 589 N GLY A 38 8.593 -7.315 1.444 1.00 0.00 N ATOM 590 CA GLY A 38 8.273 -8.683 1.864 1.00 0.00 C ATOM 591 C GLY A 38 7.359 -9.454 0.903 1.00 0.00 C ATOM 592 O GLY A 38 7.409 -10.685 0.883 1.00 0.00 O ATOM 0 H GLY A 38 8.338 -7.156 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.203 -9.239 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.797 -8.645 2.844 1.00 0.00 H new ATOM 596 N VAL A 39 6.545 -8.757 0.097 1.00 0.00 N ATOM 597 CA VAL A 39 5.570 -9.385 -0.821 1.00 0.00 C ATOM 598 C VAL A 39 6.210 -10.337 -1.853 1.00 0.00 C ATOM 599 O VAL A 39 5.829 -11.505 -1.911 1.00 0.00 O ATOM 600 CB VAL A 39 4.658 -8.326 -1.484 1.00 0.00 C ATOM 601 CG1 VAL A 39 5.365 -7.343 -2.428 1.00 0.00 C ATOM 602 CG2 VAL A 39 3.497 -8.976 -2.244 1.00 0.00 C ATOM 0 H VAL A 39 6.541 -7.738 0.060 1.00 0.00 H new ATOM 0 HA VAL A 39 4.941 -10.024 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 39 4.295 -7.744 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.636 -6.644 -2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.125 -6.791 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.836 -7.895 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.879 -8.201 -2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.892 -9.626 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.894 -9.564 -1.553 1.00 0.00 H new ATOM 612 N ASP A 40 7.201 -9.874 -2.636 1.00 0.00 N ATOM 613 CA ASP A 40 7.858 -10.599 -3.754 1.00 0.00 C ATOM 614 C ASP A 40 6.905 -11.521 -4.567 1.00 0.00 C ATOM 615 O ASP A 40 7.223 -12.673 -4.877 1.00 0.00 O ATOM 616 CB ASP A 40 9.105 -11.329 -3.202 1.00 0.00 C ATOM 617 CG ASP A 40 10.032 -11.938 -4.281 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.262 -11.297 -5.336 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.575 -13.048 -4.049 1.00 0.00 O ATOM 0 H ASP A 40 7.589 -8.940 -2.505 1.00 0.00 H new ATOM 0 HA ASP A 40 8.173 -9.868 -4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.683 -10.627 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.776 -12.125 -2.534 1.00 0.00 H new ATOM 624 N GLY A 41 5.698 -11.026 -4.865 1.00 0.00 N ATOM 625 CA GLY A 41 4.579 -11.801 -5.431 1.00 0.00 C ATOM 626 C GLY A 41 4.435 -11.792 -6.960 1.00 0.00 C ATOM 627 O GLY A 41 5.156 -11.093 -7.678 1.00 0.00 O ATOM 0 H GLY A 41 5.462 -10.045 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.683 -12.836 -5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.652 -11.423 -5.000 1.00 0.00 H new ATOM 631 N GLU A 42 3.476 -12.582 -7.461 1.00 0.00 N ATOM 632 CA GLU A 42 3.125 -12.728 -8.893 1.00 0.00 C ATOM 633 C GLU A 42 2.185 -11.620 -9.377 1.00 0.00 C ATOM 634 O GLU A 42 1.066 -11.488 -8.883 1.00 0.00 O ATOM 635 CB GLU A 42 2.467 -14.098 -9.130 1.00 0.00 C ATOM 636 CG GLU A 42 2.117 -14.348 -10.597 1.00 0.00 C ATOM 637 CD GLU A 42 1.580 -15.762 -10.767 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.368 -15.972 -10.538 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.370 -16.658 -11.142 1.00 0.00 O ATOM 0 H GLU A 42 2.894 -13.165 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 42 4.050 -12.649 -9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.140 -14.883 -8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.560 -14.168 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.373 -13.624 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.000 -14.208 -11.220 1.00 0.00 H new ATOM 646 N TRP A 43 2.634 -10.836 -10.355 1.00 0.00 N ATOM 647 CA TRP A 43 1.851 -9.759 -10.979 1.00 0.00 C ATOM 648 C TRP A 43 0.867 -10.257 -12.061 1.00 0.00 C ATOM 649 O TRP A 43 1.158 -11.178 -12.830 1.00 0.00 O ATOM 650 CB TRP A 43 2.810 -8.709 -11.564 1.00 0.00 C ATOM 651 CG TRP A 43 3.503 -7.852 -10.544 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.405 -8.281 -9.633 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.333 -6.422 -10.285 1.00 0.00 C ATOM 654 NE1 TRP A 43 4.780 -7.237 -8.812 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.139 -6.070 -9.159 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.569 -5.387 -10.874 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.169 -4.773 -8.631 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.608 -4.075 -10.363 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.399 -3.772 -9.242 1.00 0.00 C ATOM 0 H TRP A 43 3.571 -10.930 -10.747 1.00 0.00 H new ATOM 0 HA TRP A 43 1.233 -9.316 -10.198 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.565 -9.220 -12.162 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.250 -8.063 -12.241 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.777 -9.292 -9.559 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.448 -7.320 -8.045 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.946 -5.606 -11.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.776 -4.547 -7.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.026 -3.297 -10.836 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.414 -2.766 -8.850 1.00 0.00 H new ATOM 670 N THR A 44 -0.292 -9.600 -12.136 1.00 0.00 N ATOM 671 CA THR A 44 -1.340 -9.730 -13.171 1.00 0.00 C ATOM 672 C THR A 44 -1.883 -8.330 -13.528 1.00 0.00 C ATOM 673 O THR A 44 -1.822 -7.430 -12.685 1.00 0.00 O ATOM 674 CB THR A 44 -2.510 -10.603 -12.658 1.00 0.00 C ATOM 675 OG1 THR A 44 -2.056 -11.748 -11.967 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.439 -11.101 -13.767 1.00 0.00 C ATOM 0 H THR A 44 -0.549 -8.912 -11.428 1.00 0.00 H new ATOM 0 HA THR A 44 -0.902 -10.203 -14.050 1.00 0.00 H new ATOM 0 HB THR A 44 -3.060 -9.935 -11.995 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.826 -12.271 -11.659 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.234 -11.706 -13.331 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.875 -10.248 -14.287 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.870 -11.705 -14.474 1.00 0.00 H new ATOM 684 N TYR A 45 -2.432 -8.115 -14.732 1.00 0.00 N ATOM 685 CA TYR A 45 -3.041 -6.835 -15.150 1.00 0.00 C ATOM 686 C TYR A 45 -4.271 -7.018 -16.063 1.00 0.00 C ATOM 687 O TYR A 45 -4.256 -7.838 -16.987 1.00 0.00 O ATOM 688 CB TYR A 45 -1.980 -6.000 -15.885 1.00 0.00 C ATOM 689 CG TYR A 45 -2.468 -4.672 -16.449 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.823 -3.628 -15.577 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.551 -4.467 -17.841 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.242 -2.384 -16.082 1.00 0.00 C ATOM 693 CE2 TYR A 45 -2.960 -3.219 -18.346 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.301 -2.178 -17.468 1.00 0.00 C ATOM 695 OH TYR A 45 -3.677 -0.966 -17.961 1.00 0.00 O ATOM 0 H TYR A 45 -2.468 -8.833 -15.456 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.390 -6.330 -14.249 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.157 -5.803 -15.198 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.576 -6.596 -16.703 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.774 -3.783 -14.509 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.301 -5.268 -18.520 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.518 -1.590 -15.404 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.012 -3.061 -19.413 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.664 -0.993 -18.941 1.00 0.00 H new ATOM 705 N ASP A 46 -5.315 -6.217 -15.824 1.00 0.00 N ATOM 706 CA ASP A 46 -6.532 -6.076 -16.640 1.00 0.00 C ATOM 707 C ASP A 46 -6.669 -4.649 -17.174 1.00 0.00 C ATOM 708 O ASP A 46 -7.033 -3.724 -16.438 1.00 0.00 O ATOM 709 CB ASP A 46 -7.774 -6.465 -15.810 1.00 0.00 C ATOM 710 CG ASP A 46 -7.833 -7.960 -15.433 1.00 0.00 C ATOM 711 OD1 ASP A 46 -8.271 -8.778 -16.278 1.00 0.00 O ATOM 712 OD2 ASP A 46 -7.477 -8.313 -14.282 1.00 0.00 O ATOM 0 H ASP A 46 -5.337 -5.610 -15.004 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.455 -6.749 -17.494 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.789 -5.870 -14.897 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.671 -6.207 -16.374 1.00 0.00 H new ATOM 717 N ASP A 47 -6.386 -4.453 -18.465 1.00 0.00 N ATOM 718 CA ASP A 47 -6.463 -3.171 -19.168 1.00 0.00 C ATOM 719 C ASP A 47 -7.874 -2.571 -19.232 1.00 0.00 C ATOM 720 O ASP A 47 -8.037 -1.357 -19.130 1.00 0.00 O ATOM 721 CB ASP A 47 -5.891 -3.402 -20.581 1.00 0.00 C ATOM 722 CG ASP A 47 -6.793 -4.231 -21.523 1.00 0.00 C ATOM 723 OD1 ASP A 47 -6.954 -5.451 -21.285 1.00 0.00 O ATOM 724 OD2 ASP A 47 -7.350 -3.654 -22.487 1.00 0.00 O ATOM 0 H ASP A 47 -6.085 -5.215 -19.073 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.886 -2.433 -18.612 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.702 -2.433 -21.043 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.928 -3.905 -20.489 1.00 0.00 H new ATOM 729 N ALA A 48 -8.897 -3.414 -19.345 1.00 0.00 N ATOM 730 CA ALA A 48 -10.304 -2.994 -19.454 1.00 0.00 C ATOM 731 C ALA A 48 -10.827 -2.203 -18.229 1.00 0.00 C ATOM 732 O ALA A 48 -11.852 -1.522 -18.302 1.00 0.00 O ATOM 733 CB ALA A 48 -11.163 -4.239 -19.703 1.00 0.00 C ATOM 0 H ALA A 48 -8.777 -4.427 -19.364 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.372 -2.297 -20.289 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.210 -3.948 -19.787 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.845 -4.721 -20.628 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.045 -4.934 -18.872 1.00 0.00 H new ATOM 739 N THR A 49 -10.113 -2.306 -17.106 1.00 0.00 N ATOM 740 CA THR A 49 -10.368 -1.613 -15.834 1.00 0.00 C ATOM 741 C THR A 49 -9.128 -0.884 -15.267 1.00 0.00 C ATOM 742 O THR A 49 -9.112 -0.535 -14.084 1.00 0.00 O ATOM 743 CB THR A 49 -11.041 -2.578 -14.831 1.00 0.00 C ATOM 744 OG1 THR A 49 -11.480 -1.926 -13.658 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.160 -3.768 -14.447 1.00 0.00 C ATOM 0 H THR A 49 -9.293 -2.910 -17.053 1.00 0.00 H new ATOM 0 HA THR A 49 -11.070 -0.802 -16.030 1.00 0.00 H new ATOM 0 HB THR A 49 -11.909 -2.960 -15.368 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.864 -1.196 -13.439 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.694 -4.404 -13.741 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.916 -4.343 -15.340 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.241 -3.406 -13.986 1.00 0.00 H new ATOM 753 N LYS A 50 -8.054 -0.714 -16.055 1.00 0.00 N ATOM 754 CA LYS A 50 -6.767 -0.112 -15.649 1.00 0.00 C ATOM 755 C LYS A 50 -6.246 -0.574 -14.268 1.00 0.00 C ATOM 756 O LYS A 50 -5.825 0.236 -13.437 1.00 0.00 O ATOM 757 CB LYS A 50 -6.834 1.427 -15.781 1.00 0.00 C ATOM 758 CG LYS A 50 -7.320 1.956 -17.140 1.00 0.00 C ATOM 759 CD LYS A 50 -6.525 1.410 -18.333 1.00 0.00 C ATOM 760 CE LYS A 50 -7.142 1.888 -19.653 1.00 0.00 C ATOM 761 NZ LYS A 50 -6.736 1.032 -20.786 1.00 0.00 N ATOM 0 H LYS A 50 -8.056 -1.003 -17.033 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.015 -0.489 -16.343 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.494 1.812 -15.004 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.842 1.834 -15.586 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.371 1.697 -17.266 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.257 3.044 -17.140 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.488 1.740 -18.269 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.515 0.320 -18.303 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.229 1.888 -19.568 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.837 2.917 -19.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.186 1.375 -21.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.702 1.065 -20.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.034 0.052 -20.605 1.00 0.00 H new ATOM 775 N THR A 51 -6.303 -1.885 -14.011 1.00 0.00 N ATOM 776 CA THR A 51 -6.003 -2.449 -12.672 1.00 0.00 C ATOM 777 C THR A 51 -4.967 -3.579 -12.701 1.00 0.00 C ATOM 778 O THR A 51 -5.019 -4.478 -13.541 1.00 0.00 O ATOM 779 CB THR A 51 -7.283 -2.912 -11.947 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.216 -1.858 -11.823 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.035 -3.402 -10.517 1.00 0.00 C ATOM 0 H THR A 51 -6.554 -2.585 -14.709 1.00 0.00 H new ATOM 0 HA THR A 51 -5.558 -1.629 -12.109 1.00 0.00 H new ATOM 0 HB THR A 51 -7.656 -3.728 -12.566 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.449 -1.521 -12.713 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.980 -3.711 -10.069 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.348 -4.248 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.601 -2.596 -9.926 1.00 0.00 H new ATOM 789 N PHE A 52 -4.046 -3.537 -11.738 1.00 0.00 N ATOM 790 CA PHE A 52 -2.955 -4.474 -11.462 1.00 0.00 C ATOM 791 C PHE A 52 -3.279 -5.291 -10.194 1.00 0.00 C ATOM 792 O PHE A 52 -3.904 -4.772 -9.266 1.00 0.00 O ATOM 793 CB PHE A 52 -1.640 -3.707 -11.253 1.00 0.00 C ATOM 794 CG PHE A 52 -1.064 -3.050 -12.493 1.00 0.00 C ATOM 795 CD1 PHE A 52 -0.185 -3.772 -13.322 1.00 0.00 C ATOM 796 CD2 PHE A 52 -1.398 -1.721 -12.816 1.00 0.00 C ATOM 797 CE1 PHE A 52 0.349 -3.169 -14.475 1.00 0.00 C ATOM 798 CE2 PHE A 52 -0.856 -1.114 -13.964 1.00 0.00 C ATOM 799 CZ PHE A 52 0.009 -1.844 -14.798 1.00 0.00 C ATOM 0 H PHE A 52 -4.045 -2.770 -11.065 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.845 -5.147 -12.312 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.804 -2.938 -10.498 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.898 -4.396 -10.850 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.079 -4.789 -13.073 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.072 -1.166 -12.181 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.021 -3.724 -15.113 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.104 -0.090 -14.204 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.413 -1.386 -15.689 1.00 0.00 H new ATOM 809 N THR A 53 -2.866 -6.555 -10.147 1.00 0.00 N ATOM 810 CA THR A 53 -3.113 -7.463 -9.009 1.00 0.00 C ATOM 811 C THR A 53 -1.847 -8.251 -8.640 1.00 0.00 C ATOM 812 O THR A 53 -1.275 -8.947 -9.479 1.00 0.00 O ATOM 813 CB THR A 53 -4.265 -8.443 -9.315 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.432 -7.759 -9.722 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.654 -9.293 -8.103 1.00 0.00 C ATOM 0 H THR A 53 -2.342 -6.992 -10.905 1.00 0.00 H new ATOM 0 HA THR A 53 -3.398 -6.842 -8.160 1.00 0.00 H new ATOM 0 HB THR A 53 -3.886 -9.083 -10.112 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.142 -8.407 -9.910 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.469 -9.964 -8.376 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.794 -9.879 -7.779 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.977 -8.642 -7.290 1.00 0.00 H new ATOM 823 N VAL A 54 -1.412 -8.120 -7.383 1.00 0.00 N ATOM 824 CA VAL A 54 -0.158 -8.694 -6.837 1.00 0.00 C ATOM 825 C VAL A 54 -0.467 -9.733 -5.750 1.00 0.00 C ATOM 826 O VAL A 54 -1.190 -9.430 -4.799 1.00 0.00 O ATOM 827 CB VAL A 54 0.779 -7.592 -6.299 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.144 -8.170 -5.900 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.031 -6.517 -7.364 1.00 0.00 C ATOM 0 H VAL A 54 -1.936 -7.593 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 54 0.363 -9.196 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 54 0.284 -7.159 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.782 -7.370 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.008 -8.921 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.613 -8.630 -6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.694 -5.752 -6.959 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.494 -6.973 -8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.084 -6.061 -7.652 1.00 0.00 H new ATOM 839 N THR A 55 0.055 -10.951 -5.931 1.00 0.00 N ATOM 840 CA THR A 55 -0.312 -12.127 -5.105 1.00 0.00 C ATOM 841 C THR A 55 0.819 -13.040 -4.593 1.00 0.00 C ATOM 842 O THR A 55 1.513 -13.679 -5.392 1.00 0.00 O ATOM 843 CB THR A 55 -1.415 -12.957 -5.801 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.541 -12.157 -6.099 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.936 -14.118 -4.949 1.00 0.00 C ATOM 0 H THR A 55 0.745 -11.159 -6.653 1.00 0.00 H new ATOM 0 HA THR A 55 -0.677 -11.669 -4.186 1.00 0.00 H new ATOM 0 HB THR A 55 -0.937 -13.347 -6.700 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.224 -12.705 -6.540 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.707 -14.656 -5.500 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.115 -14.796 -4.717 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.357 -13.729 -4.022 1.00 0.00 H new ATOM 853 N GLU A 56 0.991 -13.100 -3.259 1.00 0.00 N ATOM 854 CA GLU A 56 1.867 -14.077 -2.560 1.00 0.00 C ATOM 855 C GLU A 56 1.394 -15.519 -2.794 1.00 0.00 C ATOM 856 O GLU A 56 0.274 -15.861 -2.355 1.00 0.00 O ATOM 857 CB GLU A 56 1.958 -13.861 -1.043 1.00 0.00 C ATOM 858 CG GLU A 56 2.818 -12.661 -0.661 1.00 0.00 C ATOM 859 CD GLU A 56 3.241 -12.743 0.801 1.00 0.00 C ATOM 860 OE1 GLU A 56 4.102 -13.591 1.127 1.00 0.00 O ATOM 861 OE2 GLU A 56 2.702 -11.970 1.622 1.00 0.00 O ATOM 862 OXT GLU A 56 2.166 -16.304 -3.385 1.00 0.00 O ATOM 0 H GLU A 56 0.519 -12.461 -2.619 1.00 0.00 H new ATOM 0 HA GLU A 56 2.854 -13.911 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.954 -13.724 -0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.368 -14.757 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.701 -12.623 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.262 -11.740 -0.832 1.00 0.00 H new ATOM 870 N MET B 1 -4.064 -9.538 16.753 1.00 0.00 N ATOM 871 CA MET B 1 -5.187 -8.593 16.512 1.00 0.00 C ATOM 872 C MET B 1 -4.998 -7.877 15.176 1.00 0.00 C ATOM 873 O MET B 1 -3.866 -7.624 14.769 1.00 0.00 O ATOM 874 CB MET B 1 -5.329 -7.612 17.693 1.00 0.00 C ATOM 875 CG MET B 1 -6.535 -6.667 17.584 1.00 0.00 C ATOM 876 SD MET B 1 -7.082 -5.938 19.158 1.00 0.00 S ATOM 877 CE MET B 1 -5.543 -5.176 19.737 1.00 0.00 C ATOM 0 H1 MET B 1 -4.131 -9.917 17.719 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.116 -10.320 16.070 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.159 -9.038 16.639 1.00 0.00 H new ATOM 0 HA MET B 1 -6.121 -9.151 16.449 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.412 -8.183 18.618 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.420 -7.016 17.767 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.285 -5.861 16.894 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.369 -7.215 17.145 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.744 -4.584 20.630 1.00 0.00 H new ATOM 0 HE2 MET B 1 -4.818 -5.955 19.974 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.140 -4.531 18.956 1.00 0.00 H new ATOM 889 N GLN B 2 -6.094 -7.584 14.469 1.00 0.00 N ATOM 890 CA GLN B 2 -6.068 -6.844 13.194 1.00 0.00 C ATOM 891 C GLN B 2 -5.783 -5.342 13.407 1.00 0.00 C ATOM 892 O GLN B 2 -6.419 -4.697 14.244 1.00 0.00 O ATOM 893 CB GLN B 2 -7.413 -7.013 12.458 1.00 0.00 C ATOM 894 CG GLN B 2 -7.315 -6.715 10.952 1.00 0.00 C ATOM 895 CD GLN B 2 -7.051 -7.968 10.146 1.00 0.00 C ATOM 896 OE1 GLN B 2 -7.967 -8.668 9.733 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.803 -8.287 9.893 1.00 0.00 N ATOM 0 H GLN B 2 -7.033 -7.853 14.764 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.260 -7.259 12.591 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.772 -8.032 12.599 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.152 -6.350 12.907 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.242 -6.253 10.612 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.516 -5.995 10.775 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.046 -7.699 10.241 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.591 -9.123 9.349 1.00 0.00 H new ATOM 906 N TYR B 3 -4.859 -4.785 12.622 1.00 0.00 N ATOM 907 CA TYR B 3 -4.574 -3.345 12.508 1.00 0.00 C ATOM 908 C TYR B 3 -4.671 -2.860 11.049 1.00 0.00 C ATOM 909 O TYR B 3 -4.542 -3.662 10.120 1.00 0.00 O ATOM 910 CB TYR B 3 -3.187 -3.045 13.089 1.00 0.00 C ATOM 911 CG TYR B 3 -3.030 -3.343 14.570 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.700 -4.644 14.999 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.189 -2.317 15.522 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.550 -4.926 16.369 1.00 0.00 C ATOM 915 CE2 TYR B 3 -3.034 -2.601 16.892 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.726 -3.903 17.315 1.00 0.00 C ATOM 917 OH TYR B 3 -2.596 -4.170 18.642 1.00 0.00 O ATOM 0 H TYR B 3 -4.259 -5.348 12.019 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.327 -2.802 13.078 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.446 -3.624 12.537 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -2.959 -1.993 12.920 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.561 -5.430 14.271 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.429 -1.314 15.201 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.300 -5.926 16.692 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.153 -1.813 17.621 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.749 -3.350 19.157 1.00 0.00 H new ATOM 927 N LYS B 4 -4.849 -1.555 10.830 1.00 0.00 N ATOM 928 CA LYS B 4 -5.108 -0.954 9.508 1.00 0.00 C ATOM 929 C LYS B 4 -4.269 0.325 9.258 1.00 0.00 C ATOM 930 O LYS B 4 -3.891 1.018 10.199 1.00 0.00 O ATOM 931 CB LYS B 4 -6.622 -0.677 9.425 1.00 0.00 C ATOM 932 CG LYS B 4 -7.099 -0.222 8.038 1.00 0.00 C ATOM 933 CD LYS B 4 -8.599 0.087 8.010 1.00 0.00 C ATOM 934 CE LYS B 4 -8.935 0.606 6.609 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.341 1.033 6.482 1.00 0.00 N ATOM 0 H LYS B 4 -4.817 -0.866 11.581 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.802 -1.644 8.722 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.162 -1.581 9.705 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.881 0.089 10.156 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.542 0.666 7.738 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.877 -1.000 7.307 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.179 -0.807 8.237 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.852 0.831 8.765 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.282 1.445 6.371 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.729 -0.176 5.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.458 1.587 5.610 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.956 0.195 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.601 1.618 7.301 1.00 0.00 H new ATOM 949 N LEU B 5 -4.021 0.663 7.991 1.00 0.00 N ATOM 950 CA LEU B 5 -3.250 1.818 7.507 1.00 0.00 C ATOM 951 C LEU B 5 -4.021 2.532 6.376 1.00 0.00 C ATOM 952 O LEU B 5 -4.529 1.876 5.466 1.00 0.00 O ATOM 953 CB LEU B 5 -1.894 1.272 7.019 1.00 0.00 C ATOM 954 CG LEU B 5 -0.730 2.216 6.666 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.929 3.028 5.389 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.376 3.156 7.813 1.00 0.00 C ATOM 0 H LEU B 5 -4.377 0.099 7.219 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.093 2.557 8.293 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.529 0.593 7.790 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.095 0.670 6.133 1.00 0.00 H new ATOM 0 HG LEU B 5 0.101 1.536 6.482 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.059 3.663 5.222 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.052 2.352 4.543 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.818 3.650 5.488 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.450 3.801 7.513 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.242 3.769 8.062 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.082 2.572 8.685 1.00 0.00 H new ATOM 968 N ILE B 6 -4.087 3.862 6.409 1.00 0.00 N ATOM 969 CA ILE B 6 -4.698 4.720 5.375 1.00 0.00 C ATOM 970 C ILE B 6 -3.623 5.657 4.810 1.00 0.00 C ATOM 971 O ILE B 6 -2.934 6.329 5.581 1.00 0.00 O ATOM 972 CB ILE B 6 -5.862 5.549 5.976 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.898 4.636 6.669 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.508 6.438 4.889 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.060 5.382 7.337 1.00 0.00 C ATOM 0 H ILE B 6 -3.703 4.401 7.185 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.101 4.095 4.578 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.458 6.208 6.745 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.304 3.944 5.931 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.388 4.036 7.422 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.323 7.014 5.327 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.760 7.119 4.484 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -6.897 5.809 4.088 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.737 4.663 7.798 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.670 6.054 8.101 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.600 5.960 6.587 1.00 0.00 H new ATOM 987 N LEU B 7 -3.471 5.749 3.488 1.00 0.00 N ATOM 988 CA LEU B 7 -2.449 6.525 2.788 1.00 0.00 C ATOM 989 C LEU B 7 -3.091 7.699 2.021 1.00 0.00 C ATOM 990 O LEU B 7 -3.933 7.492 1.140 1.00 0.00 O ATOM 991 CB LEU B 7 -1.696 5.577 1.834 1.00 0.00 C ATOM 992 CG LEU B 7 -0.567 6.265 1.041 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.576 6.737 1.939 1.00 0.00 C ATOM 994 CD2 LEU B 7 0.000 5.301 0.004 1.00 0.00 C ATOM 0 H LEU B 7 -4.091 5.258 2.844 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.747 6.956 3.502 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.274 4.755 2.412 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.407 5.141 1.133 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.007 7.139 0.561 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.344 7.214 1.330 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.195 7.452 2.668 1.00 0.00 H new ATOM 0 HD13 LEU B 7 1.006 5.882 2.461 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.797 5.793 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.399 4.420 0.506 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.790 5.000 -0.684 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.692 8.920 2.369 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.091 10.150 1.689 1.00 0.00 C ATOM 1008 C ASN B 8 -1.844 10.866 1.135 1.00 0.00 C ATOM 1009 O ASN B 8 -0.846 11.050 1.836 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.880 11.065 2.638 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.914 10.358 3.491 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -6.088 10.265 3.152 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.486 9.879 4.636 1.00 0.00 N ATOM 0 H ASN B 8 -2.064 9.086 3.155 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.746 9.898 0.855 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.176 11.577 3.295 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.380 11.832 2.047 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.137 9.415 5.270 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.503 9.971 4.892 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.902 11.267 -0.130 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.761 11.834 -0.861 1.00 0.00 C ATOM 1022 C GLY B 9 -1.054 12.264 -2.303 1.00 0.00 C ATOM 1023 O GLY B 9 -2.203 12.248 -2.755 1.00 0.00 O ATOM 0 H GLY B 9 -2.753 11.209 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.391 12.699 -0.310 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.042 11.097 -0.875 1.00 0.00 H new ATOM 1027 N LYS B 10 0.000 12.652 -3.020 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.043 13.232 -4.374 1.00 0.00 C ATOM 1029 C LYS B 10 0.559 12.310 -5.462 1.00 0.00 C ATOM 1030 O LYS B 10 0.335 12.527 -6.655 1.00 0.00 O ATOM 1031 CB LYS B 10 0.682 14.594 -4.365 1.00 0.00 C ATOM 1032 CG LYS B 10 0.149 15.626 -3.352 1.00 0.00 C ATOM 1033 CD LYS B 10 -1.322 16.007 -3.582 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.741 17.103 -2.596 1.00 0.00 C ATOM 1035 NZ LYS B 10 -3.148 17.510 -2.791 1.00 0.00 N ATOM 0 H LYS B 10 0.952 12.570 -2.663 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.093 13.358 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.738 14.422 -4.159 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.618 15.026 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.259 15.225 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.762 16.526 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.460 16.355 -4.606 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.957 15.130 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -1.605 16.745 -1.576 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -1.092 17.970 -2.719 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -3.393 18.253 -2.105 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -3.273 17.875 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.770 16.689 -2.648 1.00 0.00 H new ATOM 1049 N THR B 11 1.266 11.250 -5.054 1.00 0.00 N ATOM 1050 CA THR B 11 1.882 10.231 -5.937 1.00 0.00 C ATOM 1051 C THR B 11 1.230 8.843 -5.774 1.00 0.00 C ATOM 1052 O THR B 11 1.184 8.049 -6.717 1.00 0.00 O ATOM 1053 CB THR B 11 3.392 10.128 -5.633 1.00 0.00 C ATOM 1054 OG1 THR B 11 4.013 11.394 -5.737 1.00 0.00 O ATOM 1055 CG2 THR B 11 4.157 9.181 -6.557 1.00 0.00 C ATOM 0 H THR B 11 1.436 11.064 -4.066 1.00 0.00 H new ATOM 0 HA THR B 11 1.722 10.551 -6.967 1.00 0.00 H new ATOM 0 HB THR B 11 3.437 9.731 -4.619 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.969 11.307 -5.539 1.00 0.00 H new ATOM 0 HG21 THR B 11 5.210 9.168 -6.274 1.00 0.00 H new ATOM 0 HG22 THR B 11 3.745 8.176 -6.469 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.062 9.523 -7.588 1.00 0.00 H new ATOM 1063 N LEU B 12 0.662 8.568 -4.597 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.129 7.369 -4.305 1.00 0.00 C ATOM 1065 C LEU B 12 -1.180 7.642 -3.211 1.00 0.00 C ATOM 1066 O LEU B 12 -0.921 8.377 -2.255 1.00 0.00 O ATOM 1067 CB LEU B 12 0.834 6.231 -3.892 1.00 0.00 C ATOM 1068 CG LEU B 12 0.204 4.825 -3.917 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.039 4.351 -5.346 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.115 3.790 -3.269 1.00 0.00 C ATOM 0 H LEU B 12 0.742 9.193 -3.795 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.680 7.071 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.697 6.241 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.205 6.432 -2.887 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.734 4.911 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.484 3.356 -5.329 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.715 5.042 -5.849 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.909 4.315 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.637 2.811 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.062 3.752 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.298 4.066 -2.231 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.347 7.012 -3.336 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.396 6.966 -2.306 1.00 0.00 C ATOM 1084 C LYS B 13 -3.870 5.516 -2.116 1.00 0.00 C ATOM 1085 O LYS B 13 -3.805 4.720 -3.055 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.577 7.861 -2.715 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.257 9.361 -2.596 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.379 10.258 -3.150 1.00 0.00 C ATOM 1089 CE LYS B 13 -6.772 10.024 -2.542 1.00 0.00 C ATOM 1090 NZ LYS B 13 -6.845 10.379 -1.108 1.00 0.00 N ATOM 0 H LYS B 13 -2.601 6.502 -4.182 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.990 7.335 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.859 7.635 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.438 7.627 -2.089 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.084 9.609 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.331 9.574 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.101 11.300 -2.989 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -5.442 10.108 -4.228 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -7.506 10.611 -3.094 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -7.045 8.976 -2.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -7.807 10.200 -0.755 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -6.166 9.801 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -6.614 11.386 -0.987 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.346 5.146 -0.927 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.764 3.761 -0.662 1.00 0.00 C ATOM 1106 C GLY B 14 -5.078 3.419 0.795 1.00 0.00 C ATOM 1107 O GLY B 14 -5.085 4.284 1.671 1.00 0.00 O ATOM 0 H GLY B 14 -4.453 5.778 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.649 3.549 -1.262 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -3.976 3.093 -1.009 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.323 2.131 1.039 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.633 1.521 2.350 1.00 0.00 C ATOM 1113 C GLU B 15 -5.088 0.093 2.432 1.00 0.00 C ATOM 1114 O GLU B 15 -5.230 -0.680 1.484 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.149 1.438 2.593 1.00 0.00 C ATOM 1116 CG GLU B 15 -7.849 2.791 2.717 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.346 2.581 2.897 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.780 2.333 4.044 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.085 2.669 1.891 1.00 0.00 O ATOM 0 H GLU B 15 -5.312 1.439 0.290 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.166 2.159 3.100 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.605 0.882 1.774 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.327 0.867 3.504 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.445 3.344 3.565 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.661 3.391 1.827 1.00 0.00 H new ATOM 1126 N THR B 16 -4.492 -0.267 3.564 1.00 0.00 N ATOM 1127 CA THR B 16 -3.922 -1.607 3.816 1.00 0.00 C ATOM 1128 C THR B 16 -4.201 -2.122 5.239 1.00 0.00 C ATOM 1129 O THR B 16 -4.613 -1.365 6.120 1.00 0.00 O ATOM 1130 CB THR B 16 -2.403 -1.677 3.530 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.630 -1.191 4.594 1.00 0.00 O ATOM 1132 CG2 THR B 16 -1.928 -0.920 2.288 1.00 0.00 C ATOM 0 H THR B 16 -4.384 0.369 4.354 1.00 0.00 H new ATOM 0 HA THR B 16 -4.436 -2.260 3.110 1.00 0.00 H new ATOM 0 HB THR B 16 -2.258 -2.746 3.371 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.696 -1.108 4.309 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.849 -1.035 2.182 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.424 -1.322 1.405 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.171 0.137 2.391 1.00 0.00 H new ATOM 1140 N THR B 17 -3.990 -3.418 5.475 1.00 0.00 N ATOM 1141 CA THR B 17 -4.364 -4.124 6.715 1.00 0.00 C ATOM 1142 C THR B 17 -3.352 -5.233 7.050 1.00 0.00 C ATOM 1143 O THR B 17 -2.810 -5.881 6.151 1.00 0.00 O ATOM 1144 CB THR B 17 -5.779 -4.752 6.600 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.668 -3.982 5.814 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.463 -4.928 7.952 1.00 0.00 C ATOM 0 H THR B 17 -3.541 -4.029 4.792 1.00 0.00 H new ATOM 0 HA THR B 17 -4.364 -3.382 7.514 1.00 0.00 H new ATOM 0 HB THR B 17 -5.587 -5.717 6.131 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.540 -4.427 5.776 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.448 -5.371 7.806 1.00 0.00 H new ATOM 0 HG22 THR B 17 -5.860 -5.582 8.582 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.570 -3.957 8.435 1.00 0.00 H new ATOM 1154 N THR B 18 -3.099 -5.469 8.340 1.00 0.00 N ATOM 1155 CA THR B 18 -2.146 -6.468 8.869 1.00 0.00 C ATOM 1156 C THR B 18 -2.672 -7.110 10.165 1.00 0.00 C ATOM 1157 O THR B 18 -3.623 -6.607 10.769 1.00 0.00 O ATOM 1158 CB THR B 18 -0.756 -5.830 9.113 1.00 0.00 C ATOM 1159 OG1 THR B 18 0.235 -6.808 9.333 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.707 -4.892 10.325 1.00 0.00 C ATOM 0 H THR B 18 -3.569 -4.951 9.082 1.00 0.00 H new ATOM 0 HA THR B 18 -2.042 -7.252 8.119 1.00 0.00 H new ATOM 0 HB THR B 18 -0.569 -5.260 8.203 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.189 -7.485 8.626 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.299 -4.485 10.430 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.416 -4.076 10.183 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.969 -5.447 11.226 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.074 -8.219 10.613 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.371 -8.892 11.896 1.00 0.00 C ATOM 1170 C GLU B 19 -1.085 -9.078 12.698 1.00 0.00 C ATOM 1171 O GLU B 19 -0.191 -9.823 12.296 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.085 -10.234 11.670 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.534 -10.872 12.984 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.281 -12.168 12.711 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -3.616 -13.203 12.482 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.531 -12.153 12.752 1.00 0.00 O ATOM 0 H GLU B 19 -1.345 -8.694 10.080 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.049 -8.259 12.469 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -3.952 -10.080 11.027 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.416 -10.917 11.145 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -2.668 -11.069 13.615 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.176 -10.182 13.531 1.00 0.00 H new ATOM 1183 N ALA B 20 -0.998 -8.370 13.821 1.00 0.00 N ATOM 1184 CA ALA B 20 0.199 -8.223 14.630 1.00 0.00 C ATOM 1185 C ALA B 20 -0.075 -8.498 16.114 1.00 0.00 C ATOM 1186 O ALA B 20 -1.224 -8.552 16.573 1.00 0.00 O ATOM 1187 CB ALA B 20 0.712 -6.796 14.424 1.00 0.00 C ATOM 0 H ALA B 20 -1.796 -7.863 14.204 1.00 0.00 H new ATOM 0 HA ALA B 20 0.947 -8.953 14.321 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.614 -6.644 15.017 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.941 -6.640 13.370 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.053 -6.086 14.738 1.00 0.00 H new ATOM 1193 N VAL B 21 1.006 -8.664 16.871 1.00 0.00 N ATOM 1194 CA VAL B 21 0.943 -8.890 18.323 1.00 0.00 C ATOM 1195 C VAL B 21 0.520 -7.624 19.071 1.00 0.00 C ATOM 1196 O VAL B 21 -0.296 -7.719 19.992 1.00 0.00 O ATOM 1197 CB VAL B 21 2.263 -9.473 18.858 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.461 -8.620 18.438 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.270 -9.667 20.379 1.00 0.00 C ATOM 0 H VAL B 21 1.956 -8.647 16.500 1.00 0.00 H new ATOM 0 HA VAL B 21 0.170 -9.636 18.510 1.00 0.00 H new ATOM 0 HB VAL B 21 2.348 -10.462 18.407 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.377 -9.060 18.832 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.516 -8.581 17.350 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.345 -7.610 18.832 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.230 -10.081 20.689 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.114 -8.706 20.869 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.471 -10.352 20.662 1.00 0.00 H new ATOM 1209 N ASP B 22 0.965 -6.422 18.664 1.00 0.00 N ATOM 1210 CA ASP B 22 0.613 -5.136 19.274 1.00 0.00 C ATOM 1211 C ASP B 22 0.774 -4.011 18.232 1.00 0.00 C ATOM 1212 O ASP B 22 1.394 -4.182 17.177 1.00 0.00 O ATOM 1213 CB ASP B 22 1.597 -4.857 20.431 1.00 0.00 C ATOM 1214 CG ASP B 22 1.180 -3.737 21.406 1.00 0.00 C ATOM 1215 OD1 ASP B 22 0.330 -3.989 22.293 1.00 0.00 O ATOM 1216 OD2 ASP B 22 1.724 -2.613 21.288 1.00 0.00 O ATOM 0 H ASP B 22 1.602 -6.320 17.874 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.416 -5.171 19.633 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.732 -5.777 20.999 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.567 -4.601 20.005 1.00 0.00 H new ATOM 1221 N ALA B 23 0.259 -2.851 18.604 1.00 0.00 N ATOM 1222 CA ALA B 23 0.279 -1.613 17.823 1.00 0.00 C ATOM 1223 C ALA B 23 1.702 -1.213 17.377 1.00 0.00 C ATOM 1224 O ALA B 23 1.870 -0.606 16.326 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.392 -0.491 18.624 1.00 0.00 C ATOM 0 H ALA B 23 -0.209 -2.735 19.503 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.283 -1.787 16.906 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.377 0.431 18.042 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.424 -0.766 18.841 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.147 -0.339 19.559 1.00 0.00 H new ATOM 1231 N ALA B 24 2.737 -1.590 18.132 1.00 0.00 N ATOM 1232 CA ALA B 24 4.131 -1.340 17.810 1.00 0.00 C ATOM 1233 C ALA B 24 4.633 -2.259 16.685 1.00 0.00 C ATOM 1234 O ALA B 24 5.339 -1.799 15.794 1.00 0.00 O ATOM 1235 CB ALA B 24 4.975 -1.504 19.077 1.00 0.00 C ATOM 0 H ALA B 24 2.616 -2.093 19.011 1.00 0.00 H new ATOM 0 HA ALA B 24 4.226 -0.319 17.441 1.00 0.00 H new ATOM 0 HB1 ALA B 24 6.023 -1.318 18.843 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.640 -0.793 19.832 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.864 -2.519 19.460 1.00 0.00 H new ATOM 1241 N THR B 25 4.237 -3.536 16.657 1.00 0.00 N ATOM 1242 CA THR B 25 4.537 -4.460 15.548 1.00 0.00 C ATOM 1243 C THR B 25 3.743 -4.114 14.281 1.00 0.00 C ATOM 1244 O THR B 25 4.321 -4.048 13.197 1.00 0.00 O ATOM 1245 CB THR B 25 4.281 -5.911 15.977 1.00 0.00 C ATOM 1246 OG1 THR B 25 5.017 -6.183 17.151 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.695 -6.942 14.926 1.00 0.00 C ATOM 0 H THR B 25 3.695 -3.965 17.407 1.00 0.00 H new ATOM 0 HA THR B 25 5.593 -4.349 15.303 1.00 0.00 H new ATOM 0 HB THR B 25 3.205 -5.999 16.129 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.393 -7.086 17.099 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.485 -7.945 15.298 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.134 -6.771 14.007 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.762 -6.846 14.723 1.00 0.00 H new ATOM 1255 N ALA B 26 2.451 -3.786 14.390 1.00 0.00 N ATOM 1256 CA ALA B 26 1.668 -3.288 13.245 1.00 0.00 C ATOM 1257 C ALA B 26 2.220 -1.979 12.643 1.00 0.00 C ATOM 1258 O ALA B 26 2.325 -1.845 11.423 1.00 0.00 O ATOM 1259 CB ALA B 26 0.224 -3.066 13.689 1.00 0.00 C ATOM 0 H ALA B 26 1.921 -3.855 15.259 1.00 0.00 H new ATOM 0 HA ALA B 26 1.733 -4.045 12.463 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.363 -2.697 12.848 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.197 -4.008 14.040 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.200 -2.334 14.496 1.00 0.00 H new ATOM 1265 N GLU B 27 2.666 -1.074 13.523 1.00 0.00 N ATOM 1266 CA GLU B 27 3.414 0.139 13.126 1.00 0.00 C ATOM 1267 C GLU B 27 4.741 -0.225 12.468 1.00 0.00 C ATOM 1268 O GLU B 27 5.108 0.377 11.461 1.00 0.00 O ATOM 1269 CB GLU B 27 3.662 1.108 14.294 1.00 0.00 C ATOM 1270 CG GLU B 27 4.199 2.457 13.808 1.00 0.00 C ATOM 1271 CD GLU B 27 4.525 3.360 14.989 1.00 0.00 C ATOM 1272 OE1 GLU B 27 5.663 3.272 15.499 1.00 0.00 O ATOM 1273 OE2 GLU B 27 3.661 4.176 15.378 1.00 0.00 O ATOM 0 H GLU B 27 2.522 -1.156 14.529 1.00 0.00 H new ATOM 0 HA GLU B 27 2.780 0.656 12.406 1.00 0.00 H new ATOM 0 HB2 GLU B 27 2.732 1.263 14.842 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.373 0.663 14.991 1.00 0.00 H new ATOM 0 HG2 GLU B 27 5.093 2.302 13.204 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.461 2.939 13.167 1.00 0.00 H new ATOM 1280 N LYS B 28 5.438 -1.247 12.966 1.00 0.00 N ATOM 1281 CA LYS B 28 6.691 -1.712 12.344 1.00 0.00 C ATOM 1282 C LYS B 28 6.480 -2.337 10.947 1.00 0.00 C ATOM 1283 O LYS B 28 7.225 -2.010 10.022 1.00 0.00 O ATOM 1284 CB LYS B 28 7.412 -2.664 13.317 1.00 0.00 C ATOM 1285 CG LYS B 28 8.846 -3.011 12.893 1.00 0.00 C ATOM 1286 CD LYS B 28 9.512 -3.888 13.967 1.00 0.00 C ATOM 1287 CE LYS B 28 10.920 -4.358 13.576 1.00 0.00 C ATOM 1288 NZ LYS B 28 11.907 -3.257 13.560 1.00 0.00 N ATOM 0 H LYS B 28 5.162 -1.771 13.796 1.00 0.00 H new ATOM 0 HA LYS B 28 7.326 -0.845 12.161 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.436 -2.208 14.307 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.836 -3.585 13.404 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.835 -3.536 11.938 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.423 -2.098 12.748 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.569 -3.328 14.900 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.885 -4.759 14.156 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.250 -5.125 14.276 1.00 0.00 H new ATOM 0 HE3 LYS B 28 10.883 -4.821 12.590 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.839 -3.630 13.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.611 -2.535 12.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.966 -2.830 14.506 1.00 0.00 H new ATOM 1302 N VAL B 29 5.468 -3.188 10.731 1.00 0.00 N ATOM 1303 CA VAL B 29 5.095 -3.689 9.386 1.00 0.00 C ATOM 1304 C VAL B 29 4.717 -2.535 8.447 1.00 0.00 C ATOM 1305 O VAL B 29 5.297 -2.393 7.370 1.00 0.00 O ATOM 1306 CB VAL B 29 3.940 -4.714 9.477 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.424 -5.153 8.100 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.396 -5.982 10.213 1.00 0.00 C ATOM 0 H VAL B 29 4.880 -3.553 11.480 1.00 0.00 H new ATOM 0 HA VAL B 29 5.968 -4.192 8.969 1.00 0.00 H new ATOM 0 HB VAL B 29 3.140 -4.206 10.016 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.615 -5.872 8.227 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.055 -4.284 7.556 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.235 -5.615 7.538 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.568 -6.689 10.266 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.228 -6.436 9.674 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.716 -5.722 11.222 1.00 0.00 H new ATOM 1318 N PHE B 30 3.802 -1.662 8.868 1.00 0.00 N ATOM 1319 CA PHE B 30 3.405 -0.525 8.036 1.00 0.00 C ATOM 1320 C PHE B 30 4.565 0.439 7.712 1.00 0.00 C ATOM 1321 O PHE B 30 4.655 0.923 6.586 1.00 0.00 O ATOM 1322 CB PHE B 30 2.235 0.234 8.668 1.00 0.00 C ATOM 1323 CG PHE B 30 0.929 -0.540 8.794 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.451 -1.330 7.726 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.164 -0.436 9.972 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.775 -2.011 7.839 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -1.065 -1.112 10.082 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.538 -1.890 9.011 1.00 0.00 C ATOM 0 H PHE B 30 3.326 -1.718 9.769 1.00 0.00 H new ATOM 0 HA PHE B 30 3.085 -0.949 7.084 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.536 0.564 9.662 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.048 1.131 8.077 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.029 -1.412 6.818 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.522 0.165 10.794 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.129 -2.626 7.025 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.645 -1.033 10.990 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.489 -2.395 9.090 1.00 0.00 H new ATOM 1338 N LYS B 31 5.500 0.660 8.640 1.00 0.00 N ATOM 1339 CA LYS B 31 6.716 1.441 8.372 1.00 0.00 C ATOM 1340 C LYS B 31 7.755 0.708 7.506 1.00 0.00 C ATOM 1341 O LYS B 31 8.606 1.361 6.904 1.00 0.00 O ATOM 1342 CB LYS B 31 7.363 1.925 9.675 1.00 0.00 C ATOM 1343 CG LYS B 31 6.578 3.110 10.250 1.00 0.00 C ATOM 1344 CD LYS B 31 7.247 3.623 11.529 1.00 0.00 C ATOM 1345 CE LYS B 31 6.491 4.815 12.131 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.635 6.046 11.324 1.00 0.00 N ATOM 0 H LYS B 31 5.438 0.306 9.594 1.00 0.00 H new ATOM 0 HA LYS B 31 6.381 2.300 7.790 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.390 1.111 10.400 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.396 2.220 9.489 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.525 3.911 9.513 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.553 2.806 10.465 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.297 2.817 12.261 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.273 3.917 11.309 1.00 0.00 H new ATOM 0 HE2 LYS B 31 5.434 4.564 12.218 1.00 0.00 H new ATOM 0 HE3 LYS B 31 6.858 5.001 13.140 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.716 6.868 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 7.489 5.977 10.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 5.801 6.160 10.713 1.00 0.00 H new ATOM 1360 N GLN B 32 7.724 -0.622 7.405 1.00 0.00 N ATOM 1361 CA GLN B 32 8.544 -1.384 6.450 1.00 0.00 C ATOM 1362 C GLN B 32 8.043 -1.233 4.998 1.00 0.00 C ATOM 1363 O GLN B 32 8.850 -0.996 4.096 1.00 0.00 O ATOM 1364 CB GLN B 32 8.576 -2.858 6.903 1.00 0.00 C ATOM 1365 CG GLN B 32 9.698 -3.096 7.918 1.00 0.00 C ATOM 1366 CD GLN B 32 9.609 -4.480 8.516 1.00 0.00 C ATOM 1367 OE1 GLN B 32 10.358 -5.385 8.171 1.00 0.00 O ATOM 1368 NE2 GLN B 32 8.685 -4.682 9.431 1.00 0.00 N ATOM 0 H GLN B 32 7.126 -1.209 7.986 1.00 0.00 H new ATOM 0 HA GLN B 32 9.558 -0.984 6.448 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.617 -3.127 7.346 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.720 -3.505 6.038 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.665 -2.969 7.432 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.639 -2.350 8.711 1.00 0.00 H new ATOM 0 HE21 GLN B 32 8.068 -3.919 9.709 1.00 0.00 H new ATOM 0 HE22 GLN B 32 8.586 -5.601 9.862 1.00 0.00 H new ATOM 1377 N TYR B 33 6.726 -1.295 4.753 1.00 0.00 N ATOM 1378 CA TYR B 33 6.128 -1.060 3.419 1.00 0.00 C ATOM 1379 C TYR B 33 6.133 0.440 3.018 1.00 0.00 C ATOM 1380 O TYR B 33 6.451 0.798 1.882 1.00 0.00 O ATOM 1381 CB TYR B 33 4.691 -1.623 3.401 1.00 0.00 C ATOM 1382 CG TYR B 33 4.574 -3.141 3.255 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.089 -4.011 4.240 1.00 0.00 C ATOM 1384 CD2 TYR B 33 3.922 -3.692 2.131 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.985 -5.406 4.087 1.00 0.00 C ATOM 1386 CE2 TYR B 33 3.819 -5.089 1.980 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.356 -5.947 2.955 1.00 0.00 C ATOM 1388 OH TYR B 33 4.268 -7.298 2.812 1.00 0.00 O ATOM 0 H TYR B 33 6.038 -1.510 5.474 1.00 0.00 H new ATOM 0 HA TYR B 33 6.741 -1.578 2.681 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.193 -1.326 4.324 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.147 -1.155 2.580 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.567 -3.603 5.118 1.00 0.00 H new ATOM 0 HD2 TYR B 33 3.499 -3.039 1.382 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.390 -6.062 4.843 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.326 -5.502 1.112 1.00 0.00 H new ATOM 0 HH TYR B 33 3.803 -7.509 1.975 1.00 0.00 H new ATOM 1398 N PHE B 34 5.828 1.300 3.991 1.00 0.00 N ATOM 1399 CA PHE B 34 5.601 2.750 3.821 1.00 0.00 C ATOM 1400 C PHE B 34 6.704 3.641 4.438 1.00 0.00 C ATOM 1401 O PHE B 34 6.447 4.746 4.923 1.00 0.00 O ATOM 1402 CB PHE B 34 4.161 3.135 4.205 1.00 0.00 C ATOM 1403 CG PHE B 34 3.118 2.397 3.382 1.00 0.00 C ATOM 1404 CD1 PHE B 34 2.883 2.781 2.045 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.426 1.296 3.921 1.00 0.00 C ATOM 1406 CE1 PHE B 34 1.971 2.064 1.252 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.516 0.577 3.125 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.289 0.961 1.792 1.00 0.00 C ATOM 0 H PHE B 34 5.727 1.001 4.961 1.00 0.00 H new ATOM 0 HA PHE B 34 5.697 2.966 2.757 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.002 2.922 5.262 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.029 4.209 4.073 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.406 3.629 1.629 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.594 1.003 4.947 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.795 2.361 0.229 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.991 -0.271 3.539 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.590 0.408 1.183 1.00 0.00 H new ATOM 1418 N ASN B 35 7.951 3.158 4.411 1.00 0.00 N ATOM 1419 CA ASN B 35 9.129 3.811 4.988 1.00 0.00 C ATOM 1420 C ASN B 35 9.400 5.252 4.490 1.00 0.00 C ATOM 1421 O ASN B 35 9.723 6.135 5.291 1.00 0.00 O ATOM 1422 CB ASN B 35 10.342 2.905 4.711 1.00 0.00 C ATOM 1423 CG ASN B 35 11.435 3.134 5.736 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.429 3.809 5.490 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.262 2.575 6.914 1.00 0.00 N ATOM 0 H ASN B 35 8.175 2.266 3.969 1.00 0.00 H new ATOM 0 HA ASN B 35 8.939 3.935 6.054 1.00 0.00 H new ATOM 0 HB2 ASN B 35 10.032 1.860 4.731 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.728 3.104 3.711 1.00 0.00 H new ATOM 0 HD21 ASN B 35 11.962 2.699 7.645 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.427 2.018 7.096 1.00 0.00 H new ATOM 1432 N ASP B 36 9.261 5.485 3.176 1.00 0.00 N ATOM 1433 CA ASP B 36 9.444 6.791 2.513 1.00 0.00 C ATOM 1434 C ASP B 36 8.650 6.864 1.196 1.00 0.00 C ATOM 1435 O ASP B 36 7.618 7.531 1.155 1.00 0.00 O ATOM 1436 CB ASP B 36 10.954 7.049 2.308 1.00 0.00 C ATOM 1437 CG ASP B 36 11.268 8.424 1.687 1.00 0.00 C ATOM 1438 OD1 ASP B 36 11.151 8.549 0.447 1.00 0.00 O ATOM 1439 OD2 ASP B 36 11.649 9.358 2.432 1.00 0.00 O ATOM 0 H ASP B 36 9.009 4.745 2.520 1.00 0.00 H new ATOM 0 HA ASP B 36 9.046 7.582 3.149 1.00 0.00 H new ATOM 0 HB2 ASP B 36 11.461 6.970 3.270 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.363 6.268 1.667 1.00 0.00 H new ATOM 1444 N ASN B 37 9.070 6.139 0.148 1.00 0.00 N ATOM 1445 CA ASN B 37 8.448 6.098 -1.196 1.00 0.00 C ATOM 1446 C ASN B 37 8.133 7.494 -1.815 1.00 0.00 C ATOM 1447 O ASN B 37 7.188 7.688 -2.581 1.00 0.00 O ATOM 1448 CB ASN B 37 7.256 5.135 -1.179 1.00 0.00 C ATOM 1449 CG ASN B 37 7.581 3.768 -0.596 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.540 3.107 -0.978 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.790 3.320 0.355 1.00 0.00 N ATOM 0 H ASN B 37 9.890 5.536 0.211 1.00 0.00 H new ATOM 0 HA ASN B 37 9.193 5.706 -1.889 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.447 5.583 -0.602 1.00 0.00 H new ATOM 0 HB3 ASN B 37 6.889 5.008 -2.197 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.971 2.412 0.784 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.995 3.880 0.664 1.00 0.00 H new ATOM 1458 N GLY B 38 8.943 8.471 -1.408 1.00 0.00 N ATOM 1459 CA GLY B 38 8.815 9.913 -1.662 1.00 0.00 C ATOM 1460 C GLY B 38 7.576 10.593 -1.044 1.00 0.00 C ATOM 1461 O GLY B 38 7.383 11.794 -1.241 1.00 0.00 O ATOM 0 H GLY B 38 9.770 8.263 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY B 38 9.707 10.411 -1.282 1.00 0.00 H new ATOM 0 HA3 GLY B 38 8.795 10.073 -2.740 1.00 0.00 H new ATOM 1465 N VAL B 39 6.743 9.860 -0.293 1.00 0.00 N ATOM 1466 CA VAL B 39 5.603 10.398 0.478 1.00 0.00 C ATOM 1467 C VAL B 39 6.119 11.215 1.669 1.00 0.00 C ATOM 1468 O VAL B 39 5.764 12.384 1.826 1.00 0.00 O ATOM 1469 CB VAL B 39 4.684 9.272 1.015 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.403 9.825 1.656 1.00 0.00 C ATOM 1471 CG2 VAL B 39 4.241 8.297 -0.081 1.00 0.00 C ATOM 0 H VAL B 39 6.842 8.849 -0.199 1.00 0.00 H new ATOM 0 HA VAL B 39 5.024 11.026 -0.199 1.00 0.00 H new ATOM 0 HB VAL B 39 5.293 8.754 1.756 1.00 0.00 H new ATOM 0 HG11 VAL B 39 2.791 8.999 2.017 1.00 0.00 H new ATOM 0 HG12 VAL B 39 3.665 10.475 2.491 1.00 0.00 H new ATOM 0 HG13 VAL B 39 2.842 10.395 0.915 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.600 7.530 0.352 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.690 8.839 -0.849 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.118 7.828 -0.527 1.00 0.00 H new ATOM 1481 N ASP B 40 6.993 10.600 2.486 1.00 0.00 N ATOM 1482 CA ASP B 40 7.562 11.128 3.746 1.00 0.00 C ATOM 1483 C ASP B 40 6.563 11.945 4.601 1.00 0.00 C ATOM 1484 O ASP B 40 6.864 13.031 5.104 1.00 0.00 O ATOM 1485 CB ASP B 40 8.880 11.866 3.432 1.00 0.00 C ATOM 1486 CG ASP B 40 9.698 12.282 4.678 1.00 0.00 C ATOM 1487 OD1 ASP B 40 9.788 11.494 5.651 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.287 13.392 4.665 1.00 0.00 O ATOM 0 H ASP B 40 7.344 9.666 2.275 1.00 0.00 H new ATOM 0 HA ASP B 40 7.790 10.285 4.398 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.499 11.225 2.804 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.652 12.758 2.849 1.00 0.00 H new ATOM 1493 N GLY B 41 5.332 11.435 4.701 1.00 0.00 N ATOM 1494 CA GLY B 41 4.197 12.116 5.335 1.00 0.00 C ATOM 1495 C GLY B 41 4.206 12.078 6.870 1.00 0.00 C ATOM 1496 O GLY B 41 4.977 11.344 7.496 1.00 0.00 O ATOM 0 H GLY B 41 5.090 10.514 4.335 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.187 13.156 5.010 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.272 11.662 4.979 1.00 0.00 H new ATOM 1500 N GLU B 42 3.313 12.862 7.481 1.00 0.00 N ATOM 1501 CA GLU B 42 3.007 12.824 8.926 1.00 0.00 C ATOM 1502 C GLU B 42 2.208 11.567 9.278 1.00 0.00 C ATOM 1503 O GLU B 42 1.277 11.210 8.557 1.00 0.00 O ATOM 1504 CB GLU B 42 2.206 14.075 9.327 1.00 0.00 C ATOM 1505 CG GLU B 42 1.949 14.226 10.828 1.00 0.00 C ATOM 1506 CD GLU B 42 3.249 14.421 11.598 1.00 0.00 C ATOM 1507 OE1 GLU B 42 3.664 15.589 11.771 1.00 0.00 O ATOM 1508 OE2 GLU B 42 3.841 13.411 12.037 1.00 0.00 O ATOM 0 H GLU B 42 2.766 13.560 6.978 1.00 0.00 H new ATOM 0 HA GLU B 42 3.948 12.804 9.475 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.740 14.958 8.975 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.247 14.055 8.810 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.290 15.077 11.002 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.433 13.342 11.201 1.00 0.00 H new ATOM 1515 N TRP B 43 2.551 10.920 10.390 1.00 0.00 N ATOM 1516 CA TRP B 43 1.867 9.724 10.909 1.00 0.00 C ATOM 1517 C TRP B 43 0.920 10.061 12.079 1.00 0.00 C ATOM 1518 O TRP B 43 1.225 10.889 12.942 1.00 0.00 O ATOM 1519 CB TRP B 43 2.903 8.668 11.330 1.00 0.00 C ATOM 1520 CG TRP B 43 3.581 7.939 10.203 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.453 8.483 9.324 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.447 6.536 9.805 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.848 7.534 8.404 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.247 6.319 8.641 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.724 5.426 10.300 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.315 5.076 7.994 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.788 4.173 9.659 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.573 4.000 8.506 1.00 0.00 C ATOM 0 H TRP B 43 3.332 11.216 10.975 1.00 0.00 H new ATOM 0 HA TRP B 43 1.249 9.318 10.108 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.667 9.156 11.936 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.410 7.935 11.969 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.790 9.509 9.340 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.504 7.711 7.643 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.113 5.541 11.183 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 4.929 4.949 7.115 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.229 3.339 10.057 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.605 3.039 8.014 1.00 0.00 H new ATOM 1539 N THR B 44 -0.234 9.395 12.114 1.00 0.00 N ATOM 1540 CA THR B 44 -1.299 9.520 13.130 1.00 0.00 C ATOM 1541 C THR B 44 -1.846 8.125 13.474 1.00 0.00 C ATOM 1542 O THR B 44 -1.815 7.238 12.615 1.00 0.00 O ATOM 1543 CB THR B 44 -2.464 10.379 12.583 1.00 0.00 C ATOM 1544 OG1 THR B 44 -2.006 11.536 11.913 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.440 10.850 13.664 1.00 0.00 C ATOM 0 H THR B 44 -0.472 8.712 11.395 1.00 0.00 H new ATOM 0 HA THR B 44 -0.878 9.994 14.017 1.00 0.00 H new ATOM 0 HB THR B 44 -2.980 9.708 11.896 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.773 12.048 11.583 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.230 11.446 13.207 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.880 9.984 14.159 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.907 11.455 14.397 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.381 7.895 14.680 1.00 0.00 N ATOM 1554 CA TYR B 45 -3.003 6.621 15.085 1.00 0.00 C ATOM 1555 C TYR B 45 -4.225 6.844 15.998 1.00 0.00 C ATOM 1556 O TYR B 45 -4.181 7.660 16.923 1.00 0.00 O ATOM 1557 CB TYR B 45 -1.954 5.768 15.816 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.466 4.453 16.390 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -2.895 3.426 15.529 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.502 4.245 17.784 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.353 2.203 16.049 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -2.957 3.017 18.304 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.385 1.999 17.437 1.00 0.00 C ATOM 1564 OH TYR B 45 -3.838 0.817 17.936 1.00 0.00 O ATOM 0 H TYR B 45 -2.396 8.600 15.417 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.355 6.109 14.190 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.141 5.550 15.124 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.531 6.359 16.628 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.872 3.579 14.460 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.180 5.028 18.454 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.680 1.420 15.380 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -2.977 2.858 19.372 1.00 0.00 H new ATOM 0 HH TYR B 45 -4.319 0.979 18.774 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.299 6.090 15.747 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.516 5.989 16.568 1.00 0.00 C ATOM 1576 C ASP B 46 -6.682 4.552 17.069 1.00 0.00 C ATOM 1577 O ASP B 46 -6.932 3.639 16.274 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.746 6.424 15.750 1.00 0.00 C ATOM 1579 CG ASP B 46 -7.762 7.928 15.407 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -8.155 8.741 16.282 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.412 8.299 14.260 1.00 0.00 O ATOM 0 H ASP B 46 -5.348 5.498 14.918 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.426 6.652 17.428 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.778 5.849 14.825 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -8.649 6.178 16.309 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.534 4.322 18.378 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.585 2.978 18.978 1.00 0.00 C ATOM 1588 C ASP B 47 -8.011 2.414 19.055 1.00 0.00 C ATOM 1589 O ASP B 47 -8.236 1.233 18.808 1.00 0.00 O ATOM 1590 CB ASP B 47 -5.956 3.054 20.381 1.00 0.00 C ATOM 1591 CG ASP B 47 -5.704 1.663 20.981 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -4.843 0.928 20.444 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -6.384 1.285 21.963 1.00 0.00 O ATOM 0 H ASP B 47 -6.374 5.065 19.058 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.026 2.293 18.340 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -5.014 3.600 20.326 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -6.614 3.619 21.042 1.00 0.00 H new ATOM 1598 N ALA B 48 -8.996 3.283 19.275 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.439 2.963 19.310 1.00 0.00 C ATOM 1600 C ALA B 48 -11.006 2.357 17.997 1.00 0.00 C ATOM 1601 O ALA B 48 -12.140 1.874 17.949 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.191 4.246 19.685 1.00 0.00 C ATOM 0 H ALA B 48 -8.813 4.272 19.442 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.582 2.177 20.051 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.261 4.043 19.720 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.855 4.592 20.663 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.991 5.016 18.940 1.00 0.00 H new ATOM 1608 N THR B 49 -10.205 2.430 16.935 1.00 0.00 N ATOM 1609 CA THR B 49 -10.419 1.751 15.648 1.00 0.00 C ATOM 1610 C THR B 49 -9.196 0.953 15.141 1.00 0.00 C ATOM 1611 O THR B 49 -9.156 0.593 13.964 1.00 0.00 O ATOM 1612 CB THR B 49 -11.017 2.731 14.615 1.00 0.00 C ATOM 1613 OG1 THR B 49 -11.420 2.091 13.421 1.00 0.00 O ATOM 1614 CG2 THR B 49 -10.094 3.900 14.281 1.00 0.00 C ATOM 0 H THR B 49 -9.351 2.987 16.944 1.00 0.00 H new ATOM 0 HA THR B 49 -11.160 0.969 15.812 1.00 0.00 H new ATOM 0 HB THR B 49 -11.901 3.133 15.109 1.00 0.00 H new ATOM 0 HG1 THR B 49 -10.763 1.405 13.180 1.00 0.00 H new ATOM 0 HG21 THR B 49 -10.577 4.548 13.550 1.00 0.00 H new ATOM 0 HG22 THR B 49 -9.884 4.469 15.187 1.00 0.00 H new ATOM 0 HG23 THR B 49 -9.160 3.520 13.867 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.165 0.713 15.969 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.884 0.073 15.614 1.00 0.00 C ATOM 1624 C LYS B 50 -6.303 0.492 14.243 1.00 0.00 C ATOM 1625 O LYS B 50 -5.816 -0.337 13.469 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.010 -1.455 15.788 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.446 -1.903 17.196 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.469 -1.445 18.289 1.00 0.00 C ATOM 1629 CE LYS B 50 -6.889 -1.980 19.660 1.00 0.00 C ATOM 1630 NZ LYS B 50 -5.891 -1.668 20.704 1.00 0.00 N ATOM 0 H LYS B 50 -8.203 0.973 16.955 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.133 0.446 16.311 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.729 -1.833 15.061 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.050 -1.915 15.555 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.438 -1.504 17.410 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.528 -2.990 17.219 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.463 -1.792 18.052 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.432 -0.356 18.315 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -7.851 -1.550 19.938 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -7.027 -3.060 19.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -6.369 -1.565 21.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.195 -2.439 20.761 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -5.405 -0.780 20.465 1.00 0.00 H new ATOM 1644 N THR B 51 -6.388 1.787 13.923 1.00 0.00 N ATOM 1645 CA THR B 51 -6.065 2.302 12.570 1.00 0.00 C ATOM 1646 C THR B 51 -5.029 3.426 12.606 1.00 0.00 C ATOM 1647 O THR B 51 -5.109 4.343 13.426 1.00 0.00 O ATOM 1648 CB THR B 51 -7.323 2.778 11.816 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.266 1.737 11.678 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.049 3.272 10.392 1.00 0.00 C ATOM 0 H THR B 51 -6.679 2.510 14.581 1.00 0.00 H new ATOM 0 HA THR B 51 -5.634 1.459 12.030 1.00 0.00 H new ATOM 0 HB THR B 51 -7.694 3.600 12.428 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.405 1.305 12.546 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.984 3.589 9.930 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.358 4.114 10.426 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.610 2.465 9.805 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.068 3.374 11.686 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.022 4.361 11.435 1.00 0.00 C ATOM 1660 C PHE B 52 -3.373 5.159 10.166 1.00 0.00 C ATOM 1661 O PHE B 52 -3.924 4.607 9.211 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.685 3.638 11.201 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.106 2.940 12.415 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.465 1.610 12.713 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.209 3.627 13.253 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -0.946 0.977 13.856 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.304 2.997 14.398 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.074 1.678 14.705 1.00 0.00 C ATOM 0 H PHE B 52 -3.996 2.581 11.049 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.942 5.030 12.292 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.823 2.901 10.410 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -0.957 4.363 10.838 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.141 1.076 12.062 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.085 4.639 13.016 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.217 -0.044 14.080 1.00 0.00 H new ATOM 0 HE2 PHE B 52 0.990 3.526 15.043 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.307 1.202 15.596 1.00 0.00 H new ATOM 1678 N THR B 53 -3.030 6.440 10.130 1.00 0.00 N ATOM 1679 CA THR B 53 -3.257 7.320 8.972 1.00 0.00 C ATOM 1680 C THR B 53 -1.975 8.087 8.640 1.00 0.00 C ATOM 1681 O THR B 53 -1.319 8.626 9.535 1.00 0.00 O ATOM 1682 CB THR B 53 -4.411 8.306 9.245 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.587 7.619 9.623 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.769 9.162 8.030 1.00 0.00 C ATOM 0 H THR B 53 -2.578 6.912 10.913 1.00 0.00 H new ATOM 0 HA THR B 53 -3.535 6.700 8.119 1.00 0.00 H new ATOM 0 HB THR B 53 -4.049 8.950 10.047 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.304 8.266 9.792 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.587 9.834 8.287 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.900 9.747 7.728 1.00 0.00 H new ATOM 0 HG23 THR B 53 -5.075 8.516 7.207 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.620 8.142 7.354 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.408 8.804 6.828 1.00 0.00 C ATOM 1694 C VAL B 54 -0.815 9.845 5.783 1.00 0.00 C ATOM 1695 O VAL B 54 -1.586 9.535 4.873 1.00 0.00 O ATOM 1696 CB VAL B 54 0.581 7.787 6.219 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.898 8.464 5.814 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.921 6.677 7.220 1.00 0.00 C ATOM 0 H VAL B 54 -2.183 7.714 6.619 1.00 0.00 H new ATOM 0 HA VAL B 54 0.104 9.294 7.657 1.00 0.00 H new ATOM 0 HB VAL B 54 0.090 7.366 5.342 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.573 7.721 5.389 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.697 9.238 5.073 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.361 8.914 6.692 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.619 5.976 6.763 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.376 7.115 8.108 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.010 6.149 7.502 1.00 0.00 H new ATOM 1708 N THR B 55 -0.353 11.084 5.947 1.00 0.00 N ATOM 1709 CA THR B 55 -0.753 12.230 5.104 1.00 0.00 C ATOM 1710 C THR B 55 0.446 13.090 4.665 1.00 0.00 C ATOM 1711 O THR B 55 1.316 13.393 5.489 1.00 0.00 O ATOM 1712 CB THR B 55 -1.833 13.065 5.824 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.965 12.271 6.115 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.345 14.255 5.012 1.00 0.00 C ATOM 0 H THR B 55 0.317 11.332 6.675 1.00 0.00 H new ATOM 0 HA THR B 55 -1.181 11.833 4.184 1.00 0.00 H new ATOM 0 HB THR B 55 -1.338 13.433 6.722 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.638 12.817 6.573 1.00 0.00 H new ATOM 0 HG21 THR B 55 -3.101 14.790 5.587 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.516 14.927 4.789 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.784 13.898 4.080 1.00 0.00 H new ATOM 1722 N GLU B 56 0.495 13.502 3.387 1.00 0.00 N ATOM 1723 CA GLU B 56 1.462 14.502 2.867 1.00 0.00 C ATOM 1724 C GLU B 56 1.117 15.922 3.325 1.00 0.00 C ATOM 1725 O GLU B 56 -0.019 16.378 3.069 1.00 0.00 O ATOM 1726 CB GLU B 56 1.571 14.482 1.335 1.00 0.00 C ATOM 1727 CG GLU B 56 2.330 13.251 0.834 1.00 0.00 C ATOM 1728 CD GLU B 56 2.682 13.361 -0.645 1.00 0.00 C ATOM 1729 OE1 GLU B 56 3.341 14.348 -1.038 1.00 0.00 O ATOM 1730 OE2 GLU B 56 2.303 12.447 -1.411 1.00 0.00 O ATOM 1731 OXT GLU B 56 1.997 16.573 3.926 1.00 0.00 O ATOM 0 H GLU B 56 -0.141 13.150 2.672 1.00 0.00 H new ATOM 0 HA GLU B 56 2.427 14.213 3.284 1.00 0.00 H new ATOM 0 HB2 GLU B 56 0.572 14.495 0.900 1.00 0.00 H new ATOM 0 HB3 GLU B 56 2.078 15.385 0.995 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.243 13.126 1.416 1.00 0.00 H new ATOM 0 HG3 GLU B 56 1.724 12.360 0.997 1.00 0.00 H new