USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl -152:sc= -0.69 (180deg=-1.7) USER MOD Set 1.2: B 50 LYS NZ :NH3+ -168:sc= -0.025 (180deg=-0.178) USER MOD Set 2.1: B 49 THR OG1 : rot -62:sc= 0.339 USER MOD Set 2.2: B 51 THR OG1 : rot 59:sc= 0.718 USER MOD Set 3.1: B 44 THR OG1 : rot 30:sc= 1.73! USER MOD Set 3.2: B 53 THR OG1 : rot 115:sc= 1.68 USER MOD Set 4.1: B 8 ASN : amide:sc= -1.07 K(o=-1.8,f=-2.8!) USER MOD Set 4.2: B 13 LYS NZ :NH3+ 154:sc= -0.763 (180deg=-0.163) USER MOD Set 5.1: A 50 LYS NZ :NH3+ -168:sc= -0.0213 (180deg=-0.197) USER MOD Set 5.2: B 1 MET CE :methyl -151:sc= -0.672 (180deg=-1.73) USER MOD Set 6.1: A 49 THR OG1 : rot -62:sc= 0.344 USER MOD Set 6.2: A 51 THR OG1 : rot 58:sc= 0.718 USER MOD Set 7.1: A 44 THR OG1 : rot 36:sc= 1.82 USER MOD Set 7.2: A 53 THR OG1 : rot 115:sc= 1.69 USER MOD Set 8.1: A 8 ASN : amide:sc= -1.05 K(o=-1.8,f=-2.8!) USER MOD Set 8.2: A 13 LYS NZ :NH3+ 154:sc= -0.748 (180deg=-0.156) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00118 (180deg=-0.217) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 1.14 (180deg=0.977) USER MOD Single : A 10 LYS NZ :NH3+ -135:sc= -2.64! (180deg=-5.39!) USER MOD Single : A 11 THR OG1 : rot -150:sc= -1.89 USER MOD Single : A 16 THR OG1 : rot 160:sc= -5.21! USER MOD Single : A 17 THR OG1 : rot 32:sc= 0.363 USER MOD Single : A 18 THR OG1 : rot 32:sc= 0.638 USER MOD Single : A 25 THR OG1 : rot -14:sc= -0.374! USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0338 (180deg=-0.213) USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 0.594 (180deg=0.562) USER MOD Single : A 32 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.0072) USER MOD Single : A 35 ASN : amide:sc= -3.07! C(o=-3.1!,f=-2.9!) USER MOD Single : A 37 ASN : amide:sc= -9.1! C(o=-9.1!,f=-10!) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -167:sc=-0.00128 (180deg=-0.208) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= -1.43 USER MOD Single : B 4 LYS NZ :NH3+ 164:sc= 1.07 (180deg=0.888) USER MOD Single : B 10 LYS NZ :NH3+ -136:sc= -2.59! (180deg=-5.33!) USER MOD Single : B 11 THR OG1 : rot -150:sc= -1.89 USER MOD Single : B 16 THR OG1 : rot 169:sc= -5.2! USER MOD Single : B 17 THR OG1 : rot 34:sc= 0.376 USER MOD Single : B 18 THR OG1 : rot 32:sc= 0.638 USER MOD Single : B 25 THR OG1 : rot -13:sc= -0.357! USER MOD Single : B 28 LYS NZ :NH3+ -167:sc= -0.0159 (180deg=-0.221) USER MOD Single : B 31 LYS NZ :NH3+ 171:sc= 0.629 (180deg=0.522) USER MOD Single : B 32 GLN : amide:sc= -1.45! K(o=-1.5!,f=0) USER MOD Single : B 35 ASN : amide:sc= -3.01! C(o=-3!,f=-2.8!) USER MOD Single : B 37 ASN : amide:sc= -8.81! C(o=-8.8!,f=-10!) USER MOD Single : B 45 TYR OH : rot 180:sc= -1.04 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.249 -19.044 2.388 1.00 0.00 N ATOM 2 CA MET A 1 6.623 -18.277 1.171 1.00 0.00 C ATOM 3 C MET A 1 6.276 -16.800 1.318 1.00 0.00 C ATOM 4 O MET A 1 5.168 -16.450 1.725 1.00 0.00 O ATOM 5 CB MET A 1 5.887 -18.873 -0.031 1.00 0.00 C ATOM 6 CG MET A 1 6.289 -20.304 -0.344 1.00 0.00 C ATOM 7 SD MET A 1 8.039 -20.458 -0.753 1.00 0.00 S ATOM 8 CE MET A 1 8.148 -19.374 -2.175 1.00 0.00 C ATOM 0 H1 MET A 1 6.702 -19.980 2.362 1.00 0.00 H new ATOM 0 H2 MET A 1 6.566 -18.529 3.234 1.00 0.00 H new ATOM 0 H3 MET A 1 5.216 -19.161 2.421 1.00 0.00 H new ATOM 0 HA MET A 1 7.701 -18.348 1.025 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.814 -18.839 0.158 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.076 -18.252 -0.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.063 -20.937 0.514 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.691 -20.672 -1.178 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.955 -19.709 -2.827 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.206 -19.397 -2.723 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.350 -18.356 -1.842 1.00 0.00 H new ATOM 20 N GLN A 2 7.227 -15.938 0.976 1.00 0.00 N ATOM 21 CA GLN A 2 7.023 -14.498 1.063 1.00 0.00 C ATOM 22 C GLN A 2 6.880 -13.894 -0.329 1.00 0.00 C ATOM 23 O GLN A 2 7.529 -14.337 -1.277 1.00 0.00 O ATOM 24 CB GLN A 2 8.190 -13.837 1.801 1.00 0.00 C ATOM 25 CG GLN A 2 8.045 -12.330 1.943 1.00 0.00 C ATOM 26 CD GLN A 2 9.213 -11.697 2.674 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.361 -11.796 2.239 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.927 -11.043 3.794 1.00 0.00 N ATOM 0 H GLN A 2 8.148 -16.213 0.635 1.00 0.00 H new ATOM 0 HA GLN A 2 6.104 -14.316 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.279 -14.280 2.793 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.116 -14.056 1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.956 -11.883 0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.122 -12.107 2.478 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.962 -10.985 4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.673 -10.598 4.330 1.00 0.00 H new ATOM 37 N TYR A 3 6.028 -12.882 -0.448 1.00 0.00 N ATOM 38 CA TYR A 3 5.804 -12.221 -1.727 1.00 0.00 C ATOM 39 C TYR A 3 5.983 -10.717 -1.591 1.00 0.00 C ATOM 40 O TYR A 3 5.684 -10.137 -0.547 1.00 0.00 O ATOM 41 CB TYR A 3 4.405 -12.540 -2.254 1.00 0.00 C ATOM 42 CG TYR A 3 4.178 -14.013 -2.507 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.089 -14.912 -1.450 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.057 -14.506 -3.801 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.884 -16.259 -1.678 1.00 0.00 C ATOM 46 CE2 TYR A 3 3.853 -15.851 -4.034 1.00 0.00 C ATOM 47 CZ TYR A 3 3.767 -16.724 -2.970 1.00 0.00 C ATOM 48 OH TYR A 3 3.565 -18.065 -3.200 1.00 0.00 O ATOM 0 H TYR A 3 5.482 -12.502 0.325 1.00 0.00 H new ATOM 0 HA TYR A 3 6.540 -12.595 -2.439 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.665 -12.184 -1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.240 -11.991 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.181 -14.552 -0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.124 -13.826 -4.637 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.816 -16.945 -0.847 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.761 -16.218 -5.045 1.00 0.00 H new ATOM 0 HH TYR A 3 3.503 -18.226 -4.165 1.00 0.00 H new ATOM 58 N LYS A 4 6.479 -10.084 -2.650 1.00 0.00 N ATOM 59 CA LYS A 4 6.701 -8.643 -2.633 1.00 0.00 C ATOM 60 C LYS A 4 5.680 -7.924 -3.506 1.00 0.00 C ATOM 61 O LYS A 4 5.700 -8.044 -4.730 1.00 0.00 O ATOM 62 CB LYS A 4 8.120 -8.315 -3.106 1.00 0.00 C ATOM 63 CG LYS A 4 8.457 -6.836 -3.027 1.00 0.00 C ATOM 64 CD LYS A 4 9.899 -6.571 -3.425 1.00 0.00 C ATOM 65 CE LYS A 4 10.249 -5.097 -3.304 1.00 0.00 C ATOM 66 NZ LYS A 4 11.667 -4.830 -3.668 1.00 0.00 N ATOM 0 H LYS A 4 6.733 -10.543 -3.525 1.00 0.00 H new ATOM 0 HA LYS A 4 6.581 -8.296 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.834 -8.875 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.239 -8.652 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.789 -6.274 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.287 -6.477 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.566 -7.157 -2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.061 -6.901 -4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.593 -4.514 -3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.068 -4.764 -2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.796 -3.812 -3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.288 -5.134 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.909 -5.357 -4.531 1.00 0.00 H new ATOM 80 N VAL A 5 4.790 -7.175 -2.868 1.00 0.00 N ATOM 81 CA VAL A 5 3.762 -6.438 -3.586 1.00 0.00 C ATOM 82 C VAL A 5 4.207 -5.001 -3.850 1.00 0.00 C ATOM 83 O VAL A 5 4.618 -4.282 -2.940 1.00 0.00 O ATOM 84 CB VAL A 5 2.427 -6.433 -2.813 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.350 -5.685 -3.592 1.00 0.00 C ATOM 86 CG2 VAL A 5 1.984 -7.857 -2.512 1.00 0.00 C ATOM 0 H VAL A 5 4.760 -7.063 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 5 3.608 -6.945 -4.539 1.00 0.00 H new ATOM 0 HB VAL A 5 2.580 -5.912 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.418 -5.695 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.666 -4.654 -3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.195 -6.170 -4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.041 -7.837 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.851 -8.402 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.743 -8.354 -1.907 1.00 0.00 H new ATOM 96 N ILE A 6 4.120 -4.601 -5.109 1.00 0.00 N ATOM 97 CA ILE A 6 4.505 -3.262 -5.530 1.00 0.00 C ATOM 98 C ILE A 6 3.275 -2.380 -5.728 1.00 0.00 C ATOM 99 O ILE A 6 2.390 -2.698 -6.522 1.00 0.00 O ATOM 100 CB ILE A 6 5.321 -3.308 -6.839 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.647 -4.037 -6.610 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.567 -1.905 -7.379 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.501 -4.144 -7.854 1.00 0.00 C ATOM 0 H ILE A 6 3.781 -5.194 -5.867 1.00 0.00 H new ATOM 0 HA ILE A 6 5.125 -2.836 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 6 4.744 -3.857 -7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.210 -3.515 -5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.441 -5.039 -6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.144 -1.966 -8.302 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.612 -1.420 -7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.121 -1.324 -6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.425 -4.672 -7.617 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.957 -4.692 -8.623 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.738 -3.145 -8.220 1.00 0.00 H new ATOM 115 N LEU A 7 3.230 -1.268 -5.004 1.00 0.00 N ATOM 116 CA LEU A 7 2.114 -0.338 -5.102 1.00 0.00 C ATOM 117 C LEU A 7 2.511 0.852 -5.969 1.00 0.00 C ATOM 118 O LEU A 7 2.924 1.895 -5.463 1.00 0.00 O ATOM 119 CB LEU A 7 1.696 0.124 -3.705 1.00 0.00 C ATOM 120 CG LEU A 7 1.704 -0.976 -2.643 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.092 -0.469 -1.347 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.970 -2.210 -3.150 1.00 0.00 C ATOM 0 H LEU A 7 3.955 -0.989 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 7 1.264 -0.838 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.364 0.924 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.694 0.549 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 7 2.737 -1.258 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.106 -1.265 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.668 0.381 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.063 -0.159 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.985 -2.983 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.063 -1.949 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.461 -2.582 -4.049 1.00 0.00 H new ATOM 134 N ASN A 8 2.412 0.667 -7.282 1.00 0.00 N ATOM 135 CA ASN A 8 2.791 1.700 -8.239 1.00 0.00 C ATOM 136 C ASN A 8 1.600 2.556 -8.652 1.00 0.00 C ATOM 137 O ASN A 8 0.712 2.098 -9.367 1.00 0.00 O ATOM 138 CB ASN A 8 3.405 1.038 -9.474 1.00 0.00 C ATOM 139 CG ASN A 8 4.083 2.026 -10.399 1.00 0.00 C ATOM 140 OD1 ASN A 8 3.498 3.035 -10.792 1.00 0.00 O ATOM 141 ND2 ASN A 8 5.323 1.724 -10.767 1.00 0.00 N ATOM 0 H ASN A 8 2.070 -0.194 -7.709 1.00 0.00 H new ATOM 0 HA ASN A 8 3.517 2.357 -7.760 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.131 0.290 -9.155 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.624 0.511 -10.023 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.831 2.340 -11.402 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.767 0.876 -10.415 1.00 0.00 H new ATOM 148 N GLY A 9 1.592 3.809 -8.209 1.00 0.00 N ATOM 149 CA GLY A 9 0.511 4.711 -8.557 1.00 0.00 C ATOM 150 C GLY A 9 1.006 5.917 -9.329 1.00 0.00 C ATOM 151 O GLY A 9 2.153 5.949 -9.773 1.00 0.00 O ATOM 0 H GLY A 9 2.315 4.215 -7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.229 4.177 -9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.009 5.043 -7.648 1.00 0.00 H new ATOM 155 N LYS A 10 0.144 6.915 -9.484 1.00 0.00 N ATOM 156 CA LYS A 10 0.511 8.130 -10.199 1.00 0.00 C ATOM 157 C LYS A 10 1.174 9.122 -9.248 1.00 0.00 C ATOM 158 O LYS A 10 2.306 9.553 -9.468 1.00 0.00 O ATOM 159 CB LYS A 10 -0.726 8.762 -10.840 1.00 0.00 C ATOM 160 CG LYS A 10 -1.443 7.839 -11.814 1.00 0.00 C ATOM 161 CD LYS A 10 -2.727 8.458 -12.353 1.00 0.00 C ATOM 162 CE LYS A 10 -2.456 9.666 -13.239 1.00 0.00 C ATOM 163 NZ LYS A 10 -1.977 10.845 -12.465 1.00 0.00 N ATOM 0 H LYS A 10 -0.811 6.907 -9.125 1.00 0.00 H new ATOM 0 HA LYS A 10 1.219 7.871 -10.986 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.421 9.059 -10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.430 9.671 -11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.778 7.603 -12.645 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.676 6.898 -11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.278 7.709 -12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.362 8.757 -11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.712 9.402 -13.990 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.368 9.932 -13.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.479 11.698 -12.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.161 10.694 -11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.955 10.968 -12.616 1.00 0.00 H new ATOM 177 N THR A 11 0.457 9.468 -8.186 1.00 0.00 N ATOM 178 CA THR A 11 0.956 10.393 -7.183 1.00 0.00 C ATOM 179 C THR A 11 1.560 9.636 -6.008 1.00 0.00 C ATOM 180 O THR A 11 2.129 10.236 -5.096 1.00 0.00 O ATOM 181 CB THR A 11 -0.178 11.294 -6.695 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.335 10.527 -6.411 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.562 12.370 -7.689 1.00 0.00 C ATOM 0 H THR A 11 -0.482 9.116 -7.999 1.00 0.00 H new ATOM 0 HA THR A 11 1.734 11.008 -7.635 1.00 0.00 H new ATOM 0 HB THR A 11 0.202 11.781 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.135 11.072 -6.567 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.372 12.972 -7.278 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.300 13.007 -7.886 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.891 11.906 -8.619 1.00 0.00 H new ATOM 191 N LEU A 12 1.430 8.312 -6.032 1.00 0.00 N ATOM 192 CA LEU A 12 1.958 7.478 -4.969 1.00 0.00 C ATOM 193 C LEU A 12 2.693 6.268 -5.536 1.00 0.00 C ATOM 194 O LEU A 12 2.216 5.613 -6.461 1.00 0.00 O ATOM 195 CB LEU A 12 0.826 7.036 -4.037 1.00 0.00 C ATOM 196 CG LEU A 12 1.256 6.175 -2.858 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.483 6.777 -2.204 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.123 6.040 -1.850 1.00 0.00 C ATOM 0 H LEU A 12 0.962 7.798 -6.779 1.00 0.00 H new ATOM 0 HA LEU A 12 2.676 8.064 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.325 7.925 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.091 6.483 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 12 1.503 5.178 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.787 6.157 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.295 6.826 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.251 7.782 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.451 5.421 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.156 7.027 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.738 5.575 -2.330 1.00 0.00 H new ATOM 210 N LYS A 13 3.858 5.980 -4.966 1.00 0.00 N ATOM 211 CA LYS A 13 4.671 4.849 -5.403 1.00 0.00 C ATOM 212 C LYS A 13 5.386 4.213 -4.215 1.00 0.00 C ATOM 213 O LYS A 13 5.796 4.909 -3.288 1.00 0.00 O ATOM 214 CB LYS A 13 5.697 5.305 -6.444 1.00 0.00 C ATOM 215 CG LYS A 13 5.072 5.932 -7.680 1.00 0.00 C ATOM 216 CD LYS A 13 6.131 6.434 -8.648 1.00 0.00 C ATOM 217 CE LYS A 13 7.036 5.306 -9.119 1.00 0.00 C ATOM 218 NZ LYS A 13 6.273 4.244 -9.831 1.00 0.00 N ATOM 0 H LYS A 13 4.262 6.516 -4.198 1.00 0.00 H new ATOM 0 HA LYS A 13 4.012 4.107 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.374 6.025 -5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.300 4.449 -6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.439 5.199 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.428 6.760 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.648 6.898 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.731 7.205 -8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.803 5.708 -9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.550 4.871 -8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.903 3.750 -10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.896 3.565 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.486 4.675 -10.357 1.00 0.00 H new ATOM 232 N GLY A 14 5.533 2.892 -4.241 1.00 0.00 N ATOM 233 CA GLY A 14 6.201 2.211 -3.146 1.00 0.00 C ATOM 234 C GLY A 14 6.280 0.709 -3.334 1.00 0.00 C ATOM 235 O GLY A 14 5.995 0.193 -4.414 1.00 0.00 O ATOM 0 H GLY A 14 5.205 2.286 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.210 2.611 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.673 2.427 -2.217 1.00 0.00 H new ATOM 239 N GLU A 15 6.668 0.010 -2.271 1.00 0.00 N ATOM 240 CA GLU A 15 6.787 -1.442 -2.304 1.00 0.00 C ATOM 241 C GLU A 15 6.409 -2.045 -0.954 1.00 0.00 C ATOM 242 O GLU A 15 6.548 -1.402 0.086 1.00 0.00 O ATOM 243 CB GLU A 15 8.211 -1.851 -2.681 1.00 0.00 C ATOM 244 CG GLU A 15 8.646 -1.339 -4.044 1.00 0.00 C ATOM 245 CD GLU A 15 10.065 -1.743 -4.400 1.00 0.00 C ATOM 246 OE1 GLU A 15 10.718 -2.414 -3.575 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.523 -1.388 -5.507 1.00 0.00 O ATOM 0 H GLU A 15 6.906 0.430 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 15 6.099 -1.823 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.901 -1.478 -1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.284 -2.939 -2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.964 -1.719 -4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.568 -0.252 -4.060 1.00 0.00 H new ATOM 254 N THR A 16 5.921 -3.280 -0.980 1.00 0.00 N ATOM 255 CA THR A 16 5.509 -3.972 0.236 1.00 0.00 C ATOM 256 C THR A 16 5.684 -5.486 0.092 1.00 0.00 C ATOM 257 O THR A 16 5.947 -5.981 -1.002 1.00 0.00 O ATOM 258 CB THR A 16 4.057 -3.616 0.574 1.00 0.00 C ATOM 259 OG1 THR A 16 3.497 -4.583 1.421 1.00 0.00 O ATOM 260 CG2 THR A 16 3.164 -3.487 -0.641 1.00 0.00 C ATOM 0 H THR A 16 5.801 -3.825 -1.834 1.00 0.00 H new ATOM 0 HA THR A 16 6.148 -3.645 1.056 1.00 0.00 H new ATOM 0 HB THR A 16 4.106 -2.643 1.062 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.718 -4.205 1.879 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.152 -3.234 -0.324 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.547 -2.702 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.148 -4.433 -1.183 1.00 0.00 H new ATOM 268 N THR A 17 5.560 -6.217 1.203 1.00 0.00 N ATOM 269 CA THR A 17 5.730 -7.670 1.176 1.00 0.00 C ATOM 270 C THR A 17 4.782 -8.400 2.132 1.00 0.00 C ATOM 271 O THR A 17 4.815 -8.186 3.343 1.00 0.00 O ATOM 272 CB THR A 17 7.174 -8.032 1.521 1.00 0.00 C ATOM 273 OG1 THR A 17 7.538 -7.500 2.783 1.00 0.00 O ATOM 274 CG2 THR A 17 8.177 -7.532 0.504 1.00 0.00 C ATOM 0 H THR A 17 5.345 -5.831 2.122 1.00 0.00 H new ATOM 0 HA THR A 17 5.486 -7.995 0.165 1.00 0.00 H new ATOM 0 HB THR A 17 7.203 -9.122 1.529 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.750 -7.470 3.365 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.182 -7.823 0.810 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.954 -7.966 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.118 -6.446 0.439 1.00 0.00 H new ATOM 282 N THR A 18 3.960 -9.285 1.570 1.00 0.00 N ATOM 283 CA THR A 18 3.017 -10.084 2.353 1.00 0.00 C ATOM 284 C THR A 18 3.485 -11.539 2.398 1.00 0.00 C ATOM 285 O THR A 18 4.089 -12.029 1.444 1.00 0.00 O ATOM 286 CB THR A 18 1.616 -10.012 1.736 1.00 0.00 C ATOM 287 OG1 THR A 18 0.679 -10.682 2.556 1.00 0.00 O ATOM 288 CG2 THR A 18 1.536 -10.623 0.355 1.00 0.00 C ATOM 0 H THR A 18 3.928 -9.468 0.567 1.00 0.00 H new ATOM 0 HA THR A 18 2.976 -9.684 3.366 1.00 0.00 H new ATOM 0 HB THR A 18 1.388 -8.949 1.656 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.951 -10.605 3.494 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.517 -10.538 -0.022 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.216 -10.097 -0.315 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.817 -11.675 0.406 1.00 0.00 H new ATOM 296 N GLU A 19 3.207 -12.225 3.500 1.00 0.00 N ATOM 297 CA GLU A 19 3.610 -13.623 3.644 1.00 0.00 C ATOM 298 C GLU A 19 2.394 -14.538 3.556 1.00 0.00 C ATOM 299 O GLU A 19 1.474 -14.439 4.368 1.00 0.00 O ATOM 300 CB GLU A 19 4.343 -13.825 4.975 1.00 0.00 C ATOM 301 CG GLU A 19 4.941 -15.214 5.148 1.00 0.00 C ATOM 302 CD GLU A 19 3.916 -16.264 5.533 1.00 0.00 C ATOM 303 OE1 GLU A 19 2.762 -15.891 5.829 1.00 0.00 O ATOM 304 OE2 GLU A 19 4.275 -17.460 5.558 1.00 0.00 O ATOM 0 H GLU A 19 2.708 -11.842 4.303 1.00 0.00 H new ATOM 0 HA GLU A 19 4.289 -13.879 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.139 -13.085 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.648 -13.635 5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.425 -15.512 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.717 -15.176 5.913 1.00 0.00 H new ATOM 311 N ALA A 20 2.383 -15.418 2.558 1.00 0.00 N ATOM 312 CA ALA A 20 1.263 -16.331 2.372 1.00 0.00 C ATOM 313 C ALA A 20 1.702 -17.657 1.752 1.00 0.00 C ATOM 314 O ALA A 20 2.698 -17.725 1.030 1.00 0.00 O ATOM 315 CB ALA A 20 0.196 -15.675 1.513 1.00 0.00 C ATOM 0 H ALA A 20 3.131 -15.517 1.872 1.00 0.00 H new ATOM 0 HA ALA A 20 0.851 -16.554 3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.638 -16.364 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.158 -14.768 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.617 -15.421 0.540 1.00 0.00 H new ATOM 321 N VAL A 21 0.950 -18.708 2.061 1.00 0.00 N ATOM 322 CA VAL A 21 1.244 -20.049 1.564 1.00 0.00 C ATOM 323 C VAL A 21 1.441 -20.055 0.048 1.00 0.00 C ATOM 324 O VAL A 21 2.175 -20.885 -0.488 1.00 0.00 O ATOM 325 CB VAL A 21 0.109 -21.031 1.916 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.505 -22.459 1.577 1.00 0.00 C ATOM 327 CG2 VAL A 21 -0.273 -20.903 3.383 1.00 0.00 C ATOM 0 H VAL A 21 0.125 -18.656 2.659 1.00 0.00 H new ATOM 0 HA VAL A 21 2.168 -20.366 2.047 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.764 -20.776 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.311 -23.134 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.716 -22.535 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.395 -22.734 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.076 -21.604 3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.593 -21.127 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.611 -19.886 3.584 1.00 0.00 H new ATOM 337 N ASP A 22 0.791 -19.121 -0.636 1.00 0.00 N ATOM 338 CA ASP A 22 0.911 -19.024 -2.089 1.00 0.00 C ATOM 339 C ASP A 22 0.671 -17.599 -2.576 1.00 0.00 C ATOM 340 O ASP A 22 0.256 -16.729 -1.810 1.00 0.00 O ATOM 341 CB ASP A 22 -0.056 -19.990 -2.777 1.00 0.00 C ATOM 342 CG ASP A 22 -1.467 -19.884 -2.239 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.669 -20.200 -1.048 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.369 -19.485 -3.006 1.00 0.00 O ATOM 0 H ASP A 22 0.179 -18.423 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 22 1.932 -19.301 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.064 -19.789 -3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.303 -21.011 -2.647 1.00 0.00 H new ATOM 349 N ALA A 23 0.943 -17.366 -3.857 1.00 0.00 N ATOM 350 CA ALA A 23 0.765 -16.047 -4.449 1.00 0.00 C ATOM 351 C ALA A 23 -0.666 -15.557 -4.289 1.00 0.00 C ATOM 352 O ALA A 23 -0.902 -14.390 -3.974 1.00 0.00 O ATOM 353 CB ALA A 23 1.166 -16.065 -5.917 1.00 0.00 C ATOM 0 H ALA A 23 1.288 -18.075 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 23 1.415 -15.351 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.027 -15.072 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.213 -16.354 -6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.545 -16.782 -6.455 1.00 0.00 H new ATOM 359 N ALA A 24 -1.623 -16.454 -4.492 1.00 0.00 N ATOM 360 CA ALA A 24 -3.027 -16.100 -4.350 1.00 0.00 C ATOM 361 C ALA A 24 -3.319 -15.694 -2.916 1.00 0.00 C ATOM 362 O ALA A 24 -3.800 -14.590 -2.663 1.00 0.00 O ATOM 363 CB ALA A 24 -3.919 -17.258 -4.773 1.00 0.00 C ATOM 0 H ALA A 24 -1.453 -17.425 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.241 -15.254 -5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.965 -16.972 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.722 -17.507 -5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.710 -18.126 -4.147 1.00 0.00 H new ATOM 369 N THR A 25 -2.997 -16.575 -1.971 1.00 0.00 N ATOM 370 CA THR A 25 -3.202 -16.273 -0.565 1.00 0.00 C ATOM 371 C THR A 25 -2.565 -14.932 -0.239 1.00 0.00 C ATOM 372 O THR A 25 -3.177 -14.084 0.410 1.00 0.00 O ATOM 373 CB THR A 25 -2.613 -17.380 0.311 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.272 -17.659 -0.050 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.398 -18.675 0.241 1.00 0.00 C ATOM 0 H THR A 25 -2.597 -17.495 -2.156 1.00 0.00 H new ATOM 0 HA THR A 25 -4.271 -16.217 -0.361 1.00 0.00 H new ATOM 0 HB THR A 25 -2.664 -16.998 1.331 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.074 -17.247 -0.917 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.929 -19.420 0.884 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.421 -18.499 0.575 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.409 -19.039 -0.787 1.00 0.00 H new ATOM 383 N ALA A 26 -1.342 -14.731 -0.727 1.00 0.00 N ATOM 384 CA ALA A 26 -0.645 -13.474 -0.518 1.00 0.00 C ATOM 385 C ALA A 26 -1.450 -12.348 -1.144 1.00 0.00 C ATOM 386 O ALA A 26 -1.765 -11.355 -0.488 1.00 0.00 O ATOM 387 CB ALA A 26 0.756 -13.534 -1.110 1.00 0.00 C ATOM 0 H ALA A 26 -0.820 -15.422 -1.266 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.544 -13.289 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.262 -12.583 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.320 -14.334 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.691 -13.728 -2.181 1.00 0.00 H new ATOM 393 N GLU A 27 -1.802 -12.520 -2.417 1.00 0.00 N ATOM 394 CA GLU A 27 -2.592 -11.534 -3.137 1.00 0.00 C ATOM 395 C GLU A 27 -3.862 -11.192 -2.366 1.00 0.00 C ATOM 396 O GLU A 27 -4.178 -10.020 -2.165 1.00 0.00 O ATOM 397 CB GLU A 27 -2.948 -12.066 -4.528 1.00 0.00 C ATOM 398 CG GLU A 27 -3.793 -11.108 -5.352 1.00 0.00 C ATOM 399 CD GLU A 27 -4.121 -11.659 -6.726 1.00 0.00 C ATOM 400 OE1 GLU A 27 -4.758 -12.730 -6.802 1.00 0.00 O ATOM 401 OE2 GLU A 27 -3.738 -11.017 -7.728 1.00 0.00 O ATOM 0 H GLU A 27 -1.549 -13.339 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.000 -10.625 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.028 -12.283 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.484 -13.009 -4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.719 -10.895 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.263 -10.162 -5.460 1.00 0.00 H new ATOM 408 N LYS A 28 -4.579 -12.225 -1.925 1.00 0.00 N ATOM 409 CA LYS A 28 -5.812 -12.036 -1.169 1.00 0.00 C ATOM 410 C LYS A 28 -5.554 -11.239 0.100 1.00 0.00 C ATOM 411 O LYS A 28 -6.338 -10.363 0.466 1.00 0.00 O ATOM 412 CB LYS A 28 -6.436 -13.387 -0.818 1.00 0.00 C ATOM 413 CG LYS A 28 -6.863 -14.190 -2.034 1.00 0.00 C ATOM 414 CD LYS A 28 -7.842 -13.409 -2.893 1.00 0.00 C ATOM 415 CE LYS A 28 -8.299 -14.219 -4.096 1.00 0.00 C ATOM 416 NZ LYS A 28 -7.159 -14.607 -4.971 1.00 0.00 N ATOM 0 H LYS A 28 -4.325 -13.201 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.507 -11.476 -1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.719 -13.971 -0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.303 -13.223 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.986 -14.453 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.323 -15.125 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.707 -13.126 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.373 -12.485 -3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.816 -15.116 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.018 -13.637 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.523 -14.960 -5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.553 -13.779 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.604 -15.354 -4.507 1.00 0.00 H new ATOM 430 N VAL A 29 -4.442 -11.537 0.763 1.00 0.00 N ATOM 431 CA VAL A 29 -4.077 -10.834 1.982 1.00 0.00 C ATOM 432 C VAL A 29 -3.897 -9.354 1.693 1.00 0.00 C ATOM 433 O VAL A 29 -4.229 -8.501 2.519 1.00 0.00 O ATOM 434 CB VAL A 29 -2.783 -11.403 2.599 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.417 -10.656 3.872 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.932 -12.894 2.872 1.00 0.00 C ATOM 0 H VAL A 29 -3.781 -12.259 0.476 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.884 -10.974 2.701 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.973 -11.265 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.501 -11.075 4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.262 -9.601 3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.225 -10.755 4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.009 -13.278 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.756 -13.056 3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.137 -13.416 1.938 1.00 0.00 H new ATOM 446 N VAL A 30 -3.388 -9.052 0.506 1.00 0.00 N ATOM 447 CA VAL A 30 -3.189 -7.673 0.099 1.00 0.00 C ATOM 448 C VAL A 30 -4.546 -6.995 -0.074 1.00 0.00 C ATOM 449 O VAL A 30 -4.784 -5.919 0.473 1.00 0.00 O ATOM 450 CB VAL A 30 -2.392 -7.580 -1.215 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.935 -6.152 -1.459 1.00 0.00 C ATOM 452 CG2 VAL A 30 -1.204 -8.531 -1.191 1.00 0.00 C ATOM 0 H VAL A 30 -3.107 -9.744 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.614 -7.169 0.876 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.045 -7.875 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.373 -6.104 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.804 -5.498 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.299 -5.828 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.654 -8.450 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.547 -8.271 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.559 -9.554 -1.066 1.00 0.00 H new ATOM 462 N LYS A 31 -5.456 -7.646 -0.816 1.00 0.00 N ATOM 463 CA LYS A 31 -6.803 -7.104 -1.018 1.00 0.00 C ATOM 464 C LYS A 31 -7.384 -6.654 0.310 1.00 0.00 C ATOM 465 O LYS A 31 -7.946 -5.565 0.423 1.00 0.00 O ATOM 466 CB LYS A 31 -7.740 -8.144 -1.644 1.00 0.00 C ATOM 467 CG LYS A 31 -7.594 -8.291 -3.147 1.00 0.00 C ATOM 468 CD LYS A 31 -6.196 -8.721 -3.536 1.00 0.00 C ATOM 469 CE LYS A 31 -6.065 -8.855 -5.045 1.00 0.00 C ATOM 470 NZ LYS A 31 -6.691 -7.711 -5.763 1.00 0.00 N ATOM 0 H LYS A 31 -5.284 -8.538 -1.280 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.719 -6.257 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.555 -9.111 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.770 -7.872 -1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.314 -9.023 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.830 -7.343 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.473 -7.993 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.960 -9.673 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.010 -8.918 -5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.532 -9.785 -5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.564 -7.833 -6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.706 -7.676 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.240 -6.824 -5.462 1.00 0.00 H new ATOM 484 N GLN A 32 -7.226 -7.505 1.312 1.00 0.00 N ATOM 485 CA GLN A 32 -7.716 -7.205 2.643 1.00 0.00 C ATOM 486 C GLN A 32 -6.900 -6.073 3.247 1.00 0.00 C ATOM 487 O GLN A 32 -7.441 -5.177 3.896 1.00 0.00 O ATOM 488 CB GLN A 32 -7.649 -8.451 3.510 1.00 0.00 C ATOM 489 CG GLN A 32 -8.141 -8.242 4.932 1.00 0.00 C ATOM 490 CD GLN A 32 -8.237 -9.536 5.724 1.00 0.00 C ATOM 491 OE1 GLN A 32 -8.572 -9.524 6.908 1.00 0.00 O ATOM 492 NE2 GLN A 32 -7.949 -10.665 5.076 1.00 0.00 N ATOM 0 H GLN A 32 -6.761 -8.409 1.226 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.756 -6.885 2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.242 -9.238 3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.618 -8.804 3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.467 -7.557 5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -9.121 -7.765 4.905 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.675 -10.634 4.094 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.003 -11.560 5.562 1.00 0.00 H new ATOM 501 N PHE A 33 -5.593 -6.112 3.004 1.00 0.00 N ATOM 502 CA PHE A 33 -4.690 -5.078 3.494 1.00 0.00 C ATOM 503 C PHE A 33 -5.229 -3.705 3.100 1.00 0.00 C ATOM 504 O PHE A 33 -5.377 -2.815 3.932 1.00 0.00 O ATOM 505 CB PHE A 33 -3.291 -5.293 2.899 1.00 0.00 C ATOM 506 CG PHE A 33 -2.233 -4.391 3.463 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.775 -4.570 4.759 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.688 -3.369 2.698 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.798 -3.747 5.283 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.708 -2.542 3.219 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.265 -2.733 4.513 1.00 0.00 C ATOM 0 H PHE A 33 -5.136 -6.851 2.469 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.622 -5.133 4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.994 -6.329 3.064 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.341 -5.144 1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.187 -5.362 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.032 -3.218 1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.451 -3.897 6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.291 -1.750 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.499 -2.089 4.923 1.00 0.00 H new ATOM 521 N PHE A 34 -5.556 -3.573 1.820 1.00 0.00 N ATOM 522 CA PHE A 34 -6.116 -2.334 1.290 1.00 0.00 C ATOM 523 C PHE A 34 -7.584 -2.219 1.668 1.00 0.00 C ATOM 524 O PHE A 34 -8.073 -1.135 1.984 1.00 0.00 O ATOM 525 CB PHE A 34 -5.908 -2.270 -0.219 1.00 0.00 C ATOM 526 CG PHE A 34 -4.452 -2.280 -0.571 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.566 -1.481 0.131 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.964 -3.098 -1.574 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.220 -1.495 -0.158 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.615 -3.112 -1.872 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.744 -2.311 -1.160 1.00 0.00 C ATOM 0 H PHE A 34 -5.443 -4.312 1.126 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.597 -1.482 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.404 -3.117 -0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.373 -1.367 -0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.936 -0.838 0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.642 -3.730 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.540 -0.868 0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.242 -3.749 -2.661 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.689 -2.325 -1.389 1.00 0.00 H new ATOM 541 N ASN A 35 -8.277 -3.351 1.668 1.00 0.00 N ATOM 542 CA ASN A 35 -9.683 -3.384 2.050 1.00 0.00 C ATOM 543 C ASN A 35 -9.871 -2.673 3.386 1.00 0.00 C ATOM 544 O ASN A 35 -10.841 -1.945 3.596 1.00 0.00 O ATOM 545 CB ASN A 35 -10.158 -4.832 2.184 1.00 0.00 C ATOM 546 CG ASN A 35 -11.624 -4.923 2.545 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.059 -4.404 3.572 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.393 -5.589 1.700 1.00 0.00 N ATOM 0 H ASN A 35 -7.889 -4.258 1.408 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.267 -2.881 1.279 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.984 -5.358 1.245 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.566 -5.337 2.947 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.391 -5.689 1.888 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.989 -6.003 0.860 1.00 0.00 H new ATOM 555 N ASP A 36 -8.924 -2.917 4.283 1.00 0.00 N ATOM 556 CA ASP A 36 -8.951 -2.332 5.619 1.00 0.00 C ATOM 557 C ASP A 36 -8.137 -1.041 5.715 1.00 0.00 C ATOM 558 O ASP A 36 -8.417 -0.201 6.572 1.00 0.00 O ATOM 559 CB ASP A 36 -8.454 -3.346 6.650 1.00 0.00 C ATOM 560 CG ASP A 36 -9.304 -4.603 6.682 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.275 -4.684 5.900 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.001 -5.506 7.489 1.00 0.00 O ATOM 0 H ASP A 36 -8.121 -3.521 4.108 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.988 -2.072 5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.422 -3.614 6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.454 -2.885 7.638 1.00 0.00 H new ATOM 567 N ASN A 37 -7.150 -0.857 4.838 1.00 0.00 N ATOM 568 CA ASN A 37 -6.359 0.371 4.867 1.00 0.00 C ATOM 569 C ASN A 37 -7.140 1.491 4.203 1.00 0.00 C ATOM 570 O ASN A 37 -7.239 2.593 4.737 1.00 0.00 O ATOM 571 CB ASN A 37 -5.007 0.201 4.162 1.00 0.00 C ATOM 572 CG ASN A 37 -4.069 -0.740 4.890 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.001 -0.739 6.121 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.310 -1.528 4.132 1.00 0.00 N ATOM 0 H ASN A 37 -6.884 -1.526 4.115 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.160 0.614 5.911 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.176 -0.173 3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.530 1.176 4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.640 -2.163 4.567 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.398 -1.497 3.116 1.00 0.00 H new ATOM 581 N GLY A 38 -7.701 1.169 3.035 1.00 0.00 N ATOM 582 CA GLY A 38 -8.501 2.103 2.254 1.00 0.00 C ATOM 583 C GLY A 38 -8.754 3.451 2.903 1.00 0.00 C ATOM 584 O GLY A 38 -7.824 4.218 3.155 1.00 0.00 O ATOM 0 H GLY A 38 -7.610 0.248 2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.004 2.268 1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.463 1.638 2.038 1.00 0.00 H new ATOM 588 N VAL A 39 -10.026 3.759 3.100 1.00 0.00 N ATOM 589 CA VAL A 39 -10.429 5.049 3.646 1.00 0.00 C ATOM 590 C VAL A 39 -11.020 4.962 5.051 1.00 0.00 C ATOM 591 O VAL A 39 -11.477 5.971 5.589 1.00 0.00 O ATOM 592 CB VAL A 39 -11.475 5.692 2.728 1.00 0.00 C ATOM 593 CG1 VAL A 39 -11.849 7.089 3.208 1.00 0.00 C ATOM 594 CG2 VAL A 39 -10.979 5.726 1.289 1.00 0.00 C ATOM 0 H VAL A 39 -10.802 3.131 2.889 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.520 5.648 3.707 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.375 5.079 2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.592 7.518 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.262 7.029 4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.961 7.721 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.736 6.186 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.058 6.307 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.787 4.709 0.946 1.00 0.00 H new ATOM 604 N ASP A 40 -11.024 3.784 5.658 1.00 0.00 N ATOM 605 CA ASP A 40 -11.578 3.642 7.004 1.00 0.00 C ATOM 606 C ASP A 40 -10.574 3.014 7.973 1.00 0.00 C ATOM 607 O ASP A 40 -10.941 2.608 9.076 1.00 0.00 O ATOM 608 CB ASP A 40 -12.851 2.793 6.963 1.00 0.00 C ATOM 609 CG ASP A 40 -13.926 3.405 6.086 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.671 3.593 4.877 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.023 3.697 6.608 1.00 0.00 O ATOM 0 H ASP A 40 -10.657 2.923 5.251 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.812 4.643 7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.608 1.797 6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.237 2.672 7.975 1.00 0.00 H new ATOM 616 N GLY A 41 -9.312 2.925 7.561 1.00 0.00 N ATOM 617 CA GLY A 41 -8.295 2.331 8.415 1.00 0.00 C ATOM 618 C GLY A 41 -7.756 3.295 9.458 1.00 0.00 C ATOM 619 O GLY A 41 -8.093 4.478 9.456 1.00 0.00 O ATOM 0 H GLY A 41 -8.975 3.252 6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.714 1.459 8.917 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.471 1.977 7.796 1.00 0.00 H new ATOM 623 N GLU A 42 -6.908 2.781 10.349 1.00 0.00 N ATOM 624 CA GLU A 42 -6.304 3.593 11.404 1.00 0.00 C ATOM 625 C GLU A 42 -4.925 4.086 10.976 1.00 0.00 C ATOM 626 O GLU A 42 -3.954 3.322 10.973 1.00 0.00 O ATOM 627 CB GLU A 42 -6.186 2.782 12.695 1.00 0.00 C ATOM 628 CG GLU A 42 -7.519 2.273 13.219 1.00 0.00 C ATOM 629 CD GLU A 42 -8.488 3.393 13.534 1.00 0.00 C ATOM 630 OE1 GLU A 42 -8.157 4.241 14.389 1.00 0.00 O ATOM 631 OE2 GLU A 42 -9.578 3.426 12.924 1.00 0.00 O ATOM 0 H GLU A 42 -6.623 1.802 10.360 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.946 4.455 11.583 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.525 1.933 12.521 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.716 3.400 13.460 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.966 1.608 12.479 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.349 1.681 14.118 1.00 0.00 H new ATOM 638 N TRP A 43 -4.849 5.355 10.587 1.00 0.00 N ATOM 639 CA TRP A 43 -3.596 5.939 10.121 1.00 0.00 C ATOM 640 C TRP A 43 -2.931 6.825 11.169 1.00 0.00 C ATOM 641 O TRP A 43 -3.507 7.820 11.612 1.00 0.00 O ATOM 642 CB TRP A 43 -3.847 6.787 8.877 1.00 0.00 C ATOM 643 CG TRP A 43 -4.472 6.048 7.738 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.462 5.107 7.796 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.152 6.209 6.358 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.771 4.677 6.528 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.979 5.337 5.629 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.241 7.010 5.668 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.926 5.245 4.244 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.187 6.919 4.294 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.027 6.042 3.592 1.00 0.00 C ATOM 0 H TRP A 43 -5.640 5.999 10.585 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.930 5.104 9.904 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.491 7.624 9.147 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.899 7.209 8.543 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.931 4.754 8.703 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.477 3.979 6.295 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.591 7.688 6.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.571 4.569 3.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.486 7.533 3.748 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.962 5.996 2.515 1.00 0.00 H new ATOM 662 N THR A 44 -1.698 6.486 11.525 1.00 0.00 N ATOM 663 CA THR A 44 -0.928 7.276 12.477 1.00 0.00 C ATOM 664 C THR A 44 0.134 8.065 11.717 1.00 0.00 C ATOM 665 O THR A 44 0.807 7.520 10.841 1.00 0.00 O ATOM 666 CB THR A 44 -0.285 6.376 13.534 1.00 0.00 C ATOM 667 OG1 THR A 44 0.513 5.378 12.926 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.293 5.679 14.422 1.00 0.00 C ATOM 0 H THR A 44 -1.209 5.666 11.167 1.00 0.00 H new ATOM 0 HA THR A 44 -1.591 7.968 12.996 1.00 0.00 H new ATOM 0 HB THR A 44 0.318 7.043 14.150 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.950 5.748 12.131 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.770 5.057 15.148 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.892 6.423 14.946 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.944 5.053 13.812 1.00 0.00 H new ATOM 676 N TYR A 45 0.269 9.350 12.026 1.00 0.00 N ATOM 677 CA TYR A 45 1.238 10.195 11.328 1.00 0.00 C ATOM 678 C TYR A 45 2.393 10.610 12.235 1.00 0.00 C ATOM 679 O TYR A 45 2.208 10.850 13.429 1.00 0.00 O ATOM 680 CB TYR A 45 0.539 11.439 10.777 1.00 0.00 C ATOM 681 CG TYR A 45 1.444 12.341 9.965 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.333 11.813 9.037 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.404 13.720 10.126 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.159 12.635 8.293 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.227 14.549 9.386 1.00 0.00 C ATOM 686 CZ TYR A 45 3.103 14.000 8.470 1.00 0.00 C ATOM 687 OH TYR A 45 3.923 14.821 7.727 1.00 0.00 O ATOM 0 H TYR A 45 -0.272 9.828 12.747 1.00 0.00 H new ATOM 0 HA TYR A 45 1.656 9.610 10.509 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.300 11.127 10.155 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.125 12.009 11.608 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.380 10.743 8.895 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.719 14.152 10.841 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.845 12.209 7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.185 15.619 9.523 1.00 0.00 H new ATOM 0 HH TYR A 45 3.759 15.756 7.972 1.00 0.00 H new ATOM 697 N ASP A 46 3.583 10.709 11.646 1.00 0.00 N ATOM 698 CA ASP A 46 4.777 11.116 12.377 1.00 0.00 C ATOM 699 C ASP A 46 5.415 12.332 11.711 1.00 0.00 C ATOM 700 O ASP A 46 6.361 12.199 10.934 1.00 0.00 O ATOM 701 CB ASP A 46 5.781 9.965 12.442 1.00 0.00 C ATOM 702 CG ASP A 46 7.031 10.328 13.220 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.723 11.288 12.817 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.318 9.656 14.233 1.00 0.00 O ATOM 0 H ASP A 46 3.744 10.511 10.658 1.00 0.00 H new ATOM 0 HA ASP A 46 4.487 11.383 13.393 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.307 9.100 12.905 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.059 9.672 11.430 1.00 0.00 H new ATOM 709 N ASP A 47 4.885 13.515 12.006 1.00 0.00 N ATOM 710 CA ASP A 47 5.394 14.755 11.424 1.00 0.00 C ATOM 711 C ASP A 47 6.916 14.840 11.525 1.00 0.00 C ATOM 712 O ASP A 47 7.579 15.361 10.629 1.00 0.00 O ATOM 713 CB ASP A 47 4.761 15.962 12.116 1.00 0.00 C ATOM 714 CG ASP A 47 3.251 15.982 11.973 1.00 0.00 C ATOM 715 OD1 ASP A 47 2.599 15.021 12.430 1.00 0.00 O ATOM 716 OD2 ASP A 47 2.722 16.960 11.403 1.00 0.00 O ATOM 0 H ASP A 47 4.101 13.642 12.646 1.00 0.00 H new ATOM 0 HA ASP A 47 5.125 14.759 10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.023 15.950 13.174 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.176 16.878 11.695 1.00 0.00 H new ATOM 721 N ALA A 48 7.462 14.331 12.625 1.00 0.00 N ATOM 722 CA ALA A 48 8.904 14.358 12.851 1.00 0.00 C ATOM 723 C ALA A 48 9.679 13.821 11.649 1.00 0.00 C ATOM 724 O ALA A 48 10.813 14.229 11.401 1.00 0.00 O ATOM 725 CB ALA A 48 9.252 13.561 14.100 1.00 0.00 C ATOM 0 H ALA A 48 6.927 13.894 13.375 1.00 0.00 H new ATOM 0 HA ALA A 48 9.197 15.398 12.992 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.330 13.587 14.260 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.747 13.996 14.962 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.929 12.528 13.974 1.00 0.00 H new ATOM 731 N THR A 49 9.066 12.906 10.904 1.00 0.00 N ATOM 732 CA THR A 49 9.712 12.322 9.731 1.00 0.00 C ATOM 733 C THR A 49 8.818 12.410 8.494 1.00 0.00 C ATOM 734 O THR A 49 9.102 11.785 7.471 1.00 0.00 O ATOM 735 CB THR A 49 10.077 10.862 10.003 1.00 0.00 C ATOM 736 OG1 THR A 49 8.920 10.102 10.300 1.00 0.00 O ATOM 737 CG2 THR A 49 11.046 10.691 11.152 1.00 0.00 C ATOM 0 H THR A 49 8.127 12.554 11.090 1.00 0.00 H new ATOM 0 HA THR A 49 10.619 12.894 9.534 1.00 0.00 H new ATOM 0 HB THR A 49 10.556 10.510 9.089 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.499 10.452 11.113 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.262 9.632 11.291 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.971 11.224 10.931 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.604 11.094 12.063 1.00 0.00 H new ATOM 745 N LYS A 50 7.737 13.181 8.589 1.00 0.00 N ATOM 746 CA LYS A 50 6.809 13.336 7.472 1.00 0.00 C ATOM 747 C LYS A 50 6.414 11.975 6.904 1.00 0.00 C ATOM 748 O LYS A 50 6.215 11.824 5.696 1.00 0.00 O ATOM 749 CB LYS A 50 7.432 14.194 6.374 1.00 0.00 C ATOM 750 CG LYS A 50 7.745 15.609 6.825 1.00 0.00 C ATOM 751 CD LYS A 50 7.301 16.626 5.791 1.00 0.00 C ATOM 752 CE LYS A 50 8.008 16.420 4.461 1.00 0.00 C ATOM 753 NZ LYS A 50 9.487 16.539 4.593 1.00 0.00 N ATOM 0 H LYS A 50 7.483 13.707 9.425 1.00 0.00 H new ATOM 0 HA LYS A 50 5.913 13.833 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.350 13.719 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.752 14.233 5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.247 15.810 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.816 15.709 7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.223 16.551 5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.504 17.632 6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.757 15.436 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.648 17.155 3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.916 16.596 3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.720 17.398 5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.859 15.706 5.093 1.00 0.00 H new ATOM 767 N THR A 51 6.318 10.982 7.783 1.00 0.00 N ATOM 768 CA THR A 51 5.963 9.631 7.374 1.00 0.00 C ATOM 769 C THR A 51 4.690 9.166 8.074 1.00 0.00 C ATOM 770 O THR A 51 4.517 9.372 9.275 1.00 0.00 O ATOM 771 CB THR A 51 7.111 8.668 7.680 1.00 0.00 C ATOM 772 OG1 THR A 51 8.282 9.042 6.975 1.00 0.00 O ATOM 773 CG2 THR A 51 6.805 7.228 7.326 1.00 0.00 C ATOM 0 H THR A 51 6.482 11.090 8.784 1.00 0.00 H new ATOM 0 HA THR A 51 5.780 9.638 6.299 1.00 0.00 H new ATOM 0 HB THR A 51 7.257 8.734 8.758 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.532 9.958 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.664 6.603 7.570 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.937 6.890 7.893 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.593 7.153 6.259 1.00 0.00 H new ATOM 781 N PHE A 52 3.807 8.529 7.314 1.00 0.00 N ATOM 782 CA PHE A 52 2.552 8.024 7.857 1.00 0.00 C ATOM 783 C PHE A 52 2.608 6.507 7.985 1.00 0.00 C ATOM 784 O PHE A 52 3.197 5.834 7.147 1.00 0.00 O ATOM 785 CB PHE A 52 1.381 8.412 6.949 1.00 0.00 C ATOM 786 CG PHE A 52 1.302 9.880 6.633 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.284 10.491 5.870 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.240 10.643 7.089 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.208 11.838 5.569 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.159 11.991 6.791 1.00 0.00 C ATOM 791 CZ PHE A 52 1.144 12.589 6.030 1.00 0.00 C ATOM 0 H PHE A 52 3.937 8.350 6.318 1.00 0.00 H new ATOM 0 HA PHE A 52 2.403 8.467 8.842 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.461 7.855 6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.450 8.104 7.425 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.118 9.909 5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.533 10.180 7.684 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.980 12.303 4.974 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.674 12.576 7.153 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.083 13.642 5.796 1.00 0.00 H new ATOM 801 N THR A 53 1.984 5.967 9.021 1.00 0.00 N ATOM 802 CA THR A 53 1.962 4.523 9.222 1.00 0.00 C ATOM 803 C THR A 53 0.533 3.996 9.256 1.00 0.00 C ATOM 804 O THR A 53 -0.311 4.489 10.004 1.00 0.00 O ATOM 805 CB THR A 53 2.702 4.128 10.502 1.00 0.00 C ATOM 806 OG1 THR A 53 2.436 5.047 11.544 1.00 0.00 O ATOM 807 CG2 THR A 53 4.203 4.031 10.329 1.00 0.00 C ATOM 0 H THR A 53 1.488 6.502 9.733 1.00 0.00 H new ATOM 0 HA THR A 53 2.478 4.069 8.376 1.00 0.00 H new ATOM 0 HB THR A 53 2.326 3.136 10.754 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.946 4.594 12.262 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.661 3.747 11.277 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.434 3.279 9.574 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.596 4.997 10.011 1.00 0.00 H new ATOM 815 N VAL A 54 0.282 2.978 8.446 1.00 0.00 N ATOM 816 CA VAL A 54 -1.031 2.353 8.377 1.00 0.00 C ATOM 817 C VAL A 54 -0.979 0.984 9.037 1.00 0.00 C ATOM 818 O VAL A 54 -0.356 0.060 8.515 1.00 0.00 O ATOM 819 CB VAL A 54 -1.515 2.207 6.920 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.917 1.625 6.878 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.464 3.550 6.206 1.00 0.00 C ATOM 0 H VAL A 54 0.976 2.565 7.823 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.737 2.995 8.903 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.848 1.519 6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.241 1.530 5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.917 0.642 7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.601 2.284 7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.809 3.429 5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.107 4.262 6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.439 3.922 6.203 1.00 0.00 H new ATOM 831 N THR A 55 -1.616 0.860 10.195 1.00 0.00 N ATOM 832 CA THR A 55 -1.606 -0.404 10.920 1.00 0.00 C ATOM 833 C THR A 55 -2.897 -1.182 10.713 1.00 0.00 C ATOM 834 O THR A 55 -3.976 -0.742 11.112 1.00 0.00 O ATOM 835 CB THR A 55 -1.369 -0.167 12.411 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.298 0.739 12.608 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.029 -1.438 13.155 1.00 0.00 C ATOM 0 H THR A 55 -2.140 1.609 10.648 1.00 0.00 H new ATOM 0 HA THR A 55 -0.787 -1.002 10.520 1.00 0.00 H new ATOM 0 HB THR A 55 -2.304 0.236 12.801 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.161 0.880 13.568 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.871 -1.211 14.209 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.850 -2.148 13.056 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.121 -1.872 12.737 1.00 0.00 H new ATOM 845 N GLU A 56 -2.777 -2.349 10.083 1.00 0.00 N ATOM 846 CA GLU A 56 -3.928 -3.203 9.820 1.00 0.00 C ATOM 847 C GLU A 56 -4.645 -3.567 11.115 1.00 0.00 C ATOM 848 O GLU A 56 -3.999 -4.164 12.001 1.00 0.00 O ATOM 849 CB GLU A 56 -3.484 -4.474 9.092 1.00 0.00 C ATOM 850 CG GLU A 56 -4.622 -5.436 8.790 1.00 0.00 C ATOM 851 CD GLU A 56 -5.696 -4.811 7.924 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.382 -4.413 6.782 1.00 0.00 O ATOM 853 OE2 GLU A 56 -6.851 -4.718 8.387 1.00 0.00 O ATOM 854 OXT GLU A 56 -5.849 -3.252 11.234 1.00 0.00 O ATOM 0 H GLU A 56 -1.890 -2.724 9.745 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.624 -2.652 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.998 -4.195 8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.738 -4.987 9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.224 -6.319 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.066 -5.774 9.726 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.743 18.939 -2.208 1.00 0.00 N ATOM 863 CA MET B 1 7.082 18.163 -0.985 1.00 0.00 C ATOM 864 C MET B 1 6.700 16.695 -1.137 1.00 0.00 C ATOM 865 O MET B 1 5.591 16.372 -1.561 1.00 0.00 O ATOM 866 CB MET B 1 6.343 18.776 0.206 1.00 0.00 C ATOM 867 CG MET B 1 6.775 20.198 0.526 1.00 0.00 C ATOM 868 SD MET B 1 8.522 20.309 0.960 1.00 0.00 S ATOM 869 CE MET B 1 8.585 19.223 2.383 1.00 0.00 C ATOM 0 H1 MET B 1 7.205 19.870 -2.168 1.00 0.00 H new ATOM 0 H2 MET B 1 7.074 18.424 -3.049 1.00 0.00 H new ATOM 0 H3 MET B 1 5.712 19.067 -2.264 1.00 0.00 H new ATOM 0 HA MET B 1 8.159 18.208 -0.824 1.00 0.00 H new ATOM 0 HB2 MET B 1 5.272 18.768 0.001 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.504 18.150 1.084 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.577 20.837 -0.335 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.174 20.580 1.351 1.00 0.00 H new ATOM 0 HE1 MET B 1 9.379 19.549 3.055 1.00 0.00 H new ATOM 0 HE2 MET B 1 7.630 19.255 2.908 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.784 18.203 2.054 1.00 0.00 H new ATOM 881 N GLN B 2 7.626 15.811 -0.782 1.00 0.00 N ATOM 882 CA GLN B 2 7.387 14.376 -0.871 1.00 0.00 C ATOM 883 C GLN B 2 7.210 13.776 0.519 1.00 0.00 C ATOM 884 O GLN B 2 7.855 14.202 1.476 1.00 0.00 O ATOM 885 CB GLN B 2 8.548 13.687 -1.594 1.00 0.00 C ATOM 886 CG GLN B 2 8.369 12.182 -1.737 1.00 0.00 C ATOM 887 CD GLN B 2 9.532 11.522 -2.452 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.675 11.592 -2.000 1.00 0.00 O ATOM 889 NE2 GLN B 2 9.244 10.874 -3.576 1.00 0.00 N ATOM 0 H GLN B 2 8.549 16.064 -0.430 1.00 0.00 H new ATOM 0 HA GLN B 2 6.471 14.216 -1.440 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.660 14.127 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.472 13.885 -1.051 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.256 11.738 -0.748 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.449 11.980 -2.285 1.00 0.00 H new ATOM 0 HE21 GLN B 2 8.282 10.842 -3.914 1.00 0.00 H new ATOM 0 HE22 GLN B 2 9.985 10.409 -4.101 1.00 0.00 H new ATOM 898 N TYR B 3 6.332 12.785 0.625 1.00 0.00 N ATOM 899 CA TYR B 3 6.075 12.128 1.901 1.00 0.00 C ATOM 900 C TYR B 3 6.220 10.620 1.767 1.00 0.00 C ATOM 901 O TYR B 3 5.921 10.050 0.718 1.00 0.00 O ATOM 902 CB TYR B 3 4.676 12.483 2.408 1.00 0.00 C ATOM 903 CG TYR B 3 4.482 13.961 2.657 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.429 14.862 1.600 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.353 14.456 3.949 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.254 16.214 1.825 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.180 15.807 4.180 1.00 0.00 C ATOM 908 CZ TYR B 3 4.130 16.682 3.115 1.00 0.00 C ATOM 909 OH TYR B 3 3.958 18.027 3.342 1.00 0.00 O ATOM 0 H TYR B 3 5.787 12.419 -0.156 1.00 0.00 H new ATOM 0 HA TYR B 3 6.810 12.481 2.624 1.00 0.00 H new ATOM 0 HB2 TYR B 3 3.938 12.145 1.680 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.484 11.939 3.333 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.526 14.500 0.587 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.389 13.774 4.786 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.215 16.901 0.993 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.084 16.176 5.190 1.00 0.00 H new ATOM 0 HH TYR B 3 3.887 18.190 4.306 1.00 0.00 H new ATOM 919 N LYS B 4 6.685 9.977 2.832 1.00 0.00 N ATOM 920 CA LYS B 4 6.871 8.531 2.818 1.00 0.00 C ATOM 921 C LYS B 4 5.821 7.837 3.677 1.00 0.00 C ATOM 922 O LYS B 4 5.826 7.959 4.900 1.00 0.00 O ATOM 923 CB LYS B 4 8.274 8.169 3.310 1.00 0.00 C ATOM 924 CG LYS B 4 8.576 6.682 3.237 1.00 0.00 C ATOM 925 CD LYS B 4 10.008 6.381 3.655 1.00 0.00 C ATOM 926 CE LYS B 4 10.322 4.900 3.538 1.00 0.00 C ATOM 927 NZ LYS B 4 11.729 4.598 3.923 1.00 0.00 N ATOM 0 H LYS B 4 6.938 10.430 3.710 1.00 0.00 H new ATOM 0 HA LYS B 4 6.756 8.187 1.790 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.010 8.711 2.716 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.387 8.505 4.341 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.886 6.138 3.882 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.410 6.326 2.220 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.697 6.951 3.032 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.164 6.707 4.683 1.00 0.00 H new ATOM 0 HE2 LYS B 4 9.642 4.333 4.174 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.148 4.572 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 11.831 3.577 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 12.369 4.887 3.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 11.971 5.119 4.790 1.00 0.00 H new ATOM 941 N VAL B 5 4.922 7.109 3.026 1.00 0.00 N ATOM 942 CA VAL B 5 3.867 6.396 3.729 1.00 0.00 C ATOM 943 C VAL B 5 4.272 4.951 4.000 1.00 0.00 C ATOM 944 O VAL B 5 4.678 4.222 3.095 1.00 0.00 O ATOM 945 CB VAL B 5 2.542 6.426 2.938 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.437 5.704 3.700 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.138 7.859 2.630 1.00 0.00 C ATOM 0 H VAL B 5 4.904 6.998 2.012 1.00 0.00 H new ATOM 0 HA VAL B 5 3.713 6.905 4.680 1.00 0.00 H new ATOM 0 HB VAL B 5 2.696 5.902 1.994 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.514 5.739 3.122 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.725 4.665 3.861 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.281 6.191 4.663 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.202 7.861 2.072 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.006 8.408 3.562 1.00 0.00 H new ATOM 0 HG23 VAL B 5 2.916 8.336 2.035 1.00 0.00 H new ATOM 957 N ILE B 6 4.157 4.553 5.258 1.00 0.00 N ATOM 958 CA ILE B 6 4.504 3.206 5.683 1.00 0.00 C ATOM 959 C ILE B 6 3.251 2.353 5.864 1.00 0.00 C ATOM 960 O ILE B 6 2.364 2.693 6.643 1.00 0.00 O ATOM 961 CB ILE B 6 5.303 3.232 7.003 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.648 3.928 6.793 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.507 1.823 7.547 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.487 4.014 8.050 1.00 0.00 C ATOM 0 H ILE B 6 3.821 5.153 6.011 1.00 0.00 H new ATOM 0 HA ILE B 6 5.124 2.766 4.902 1.00 0.00 H new ATOM 0 HB ILE B 6 4.729 3.795 7.739 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.209 3.393 6.027 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.472 4.935 6.414 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.073 1.871 8.477 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.538 1.362 7.735 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.057 1.228 6.818 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.427 4.519 7.826 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.945 4.575 8.811 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.694 3.009 8.419 1.00 0.00 H new ATOM 976 N LEU B 7 3.190 1.242 5.139 1.00 0.00 N ATOM 977 CA LEU B 7 2.050 0.340 5.220 1.00 0.00 C ATOM 978 C LEU B 7 2.404 -0.860 6.093 1.00 0.00 C ATOM 979 O LEU B 7 2.798 -1.914 5.593 1.00 0.00 O ATOM 980 CB LEU B 7 1.640 -0.111 3.816 1.00 0.00 C ATOM 981 CG LEU B 7 1.689 0.988 2.755 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.086 0.495 1.453 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.979 2.239 3.252 1.00 0.00 C ATOM 0 H LEU B 7 3.917 0.945 4.489 1.00 0.00 H new ATOM 0 HA LEU B 7 1.206 0.861 5.672 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.293 -0.927 3.506 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.627 -0.512 3.859 1.00 0.00 H new ATOM 0 HG LEU B 7 2.731 1.246 2.566 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.129 1.290 0.708 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.648 -0.368 1.096 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.047 0.208 1.619 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.023 3.012 2.484 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.063 2.004 3.470 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.467 2.599 4.158 1.00 0.00 H new ATOM 995 N ASN B 8 2.293 -0.672 7.403 1.00 0.00 N ATOM 996 CA ASN B 8 2.633 -1.713 8.366 1.00 0.00 C ATOM 997 C ASN B 8 1.415 -2.539 8.763 1.00 0.00 C ATOM 998 O ASN B 8 0.529 -2.061 9.464 1.00 0.00 O ATOM 999 CB ASN B 8 3.244 -1.066 9.611 1.00 0.00 C ATOM 1000 CG ASN B 8 3.885 -2.070 10.545 1.00 0.00 C ATOM 1001 OD1 ASN B 8 3.270 -3.064 10.932 1.00 0.00 O ATOM 1002 ND2 ASN B 8 5.127 -1.800 10.930 1.00 0.00 N ATOM 0 H ASN B 8 1.968 0.198 7.825 1.00 0.00 H new ATOM 0 HA ASN B 8 3.350 -2.387 7.897 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.992 -0.335 9.304 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.468 -0.522 10.149 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.610 -2.428 11.572 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.598 -0.964 10.584 1.00 0.00 H new ATOM 1009 N GLY B 9 1.383 -3.792 8.319 1.00 0.00 N ATOM 1010 CA GLY B 9 0.276 -4.668 8.652 1.00 0.00 C ATOM 1011 C GLY B 9 0.730 -5.885 9.431 1.00 0.00 C ATOM 1012 O GLY B 9 1.869 -5.947 9.890 1.00 0.00 O ATOM 0 H GLY B 9 2.104 -4.215 7.735 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.459 -4.116 9.238 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.221 -4.988 7.736 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.157 -6.863 9.573 1.00 0.00 N ATOM 1017 CA LYS B 10 0.170 -8.086 10.293 1.00 0.00 C ATOM 1018 C LYS B 10 0.822 -9.093 9.352 1.00 0.00 C ATOM 1019 O LYS B 10 1.941 -9.551 9.587 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.092 -8.689 10.915 1.00 0.00 C ATOM 1021 CG LYS B 10 -1.800 -7.748 11.880 1.00 0.00 C ATOM 1022 CD LYS B 10 -3.105 -8.335 12.400 1.00 0.00 C ATOM 1023 CE LYS B 10 -2.877 -9.548 13.292 1.00 0.00 C ATOM 1024 NZ LYS B 10 -2.417 -10.739 12.523 1.00 0.00 N ATOM 0 H LYS B 10 -1.106 -6.832 9.200 1.00 0.00 H new ATOM 0 HA LYS B 10 0.872 -7.843 11.090 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -1.783 -8.968 10.119 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -0.826 -9.605 11.442 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -1.141 -7.529 12.720 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -2.003 -6.802 11.379 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -3.647 -7.572 12.959 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -3.734 -8.620 11.557 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -2.137 -9.302 14.053 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -3.802 -9.791 13.814 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.933 -11.582 12.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.599 -10.590 11.510 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -1.397 -10.877 12.674 1.00 0.00 H new ATOM 1038 N THR B 11 0.113 -9.423 8.278 1.00 0.00 N ATOM 1039 CA THR B 11 0.602 -10.360 7.283 1.00 0.00 C ATOM 1040 C THR B 11 1.241 -9.616 6.117 1.00 0.00 C ATOM 1041 O THR B 11 1.808 -10.231 5.214 1.00 0.00 O ATOM 1042 CB THR B 11 -0.546 -11.232 6.780 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.681 -10.437 6.478 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.970 -12.299 7.768 1.00 0.00 C ATOM 0 H THR B 11 -0.814 -9.048 8.076 1.00 0.00 H new ATOM 0 HA THR B 11 1.358 -10.995 7.745 1.00 0.00 H new ATOM 0 HB THR B 11 -0.165 -11.728 5.887 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.496 -10.962 6.623 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.789 -12.881 7.346 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.127 -12.958 7.977 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.300 -11.827 8.694 1.00 0.00 H new ATOM 1052 N LEU B 12 1.141 -8.291 6.140 1.00 0.00 N ATOM 1053 CA LEU B 12 1.705 -7.471 5.083 1.00 0.00 C ATOM 1054 C LEU B 12 2.461 -6.279 5.660 1.00 0.00 C ATOM 1055 O LEU B 12 1.987 -5.612 6.580 1.00 0.00 O ATOM 1056 CB LEU B 12 0.598 -7.000 4.137 1.00 0.00 C ATOM 1057 CG LEU B 12 1.066 -6.151 2.964 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.287 -6.782 2.328 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.049 -5.989 1.941 1.00 0.00 C ATOM 0 H LEU B 12 0.675 -7.766 6.880 1.00 0.00 H new ATOM 0 HA LEU B 12 2.415 -8.076 4.520 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.079 -7.875 3.747 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.130 -6.427 4.712 1.00 0.00 H new ATOM 0 HG LEU B 12 1.333 -5.160 3.331 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.618 -6.170 1.489 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.087 -6.850 3.065 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.036 -7.781 1.972 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.305 -5.379 1.110 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.348 -6.969 1.570 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.905 -5.502 2.409 1.00 0.00 H new ATOM 1071 N LYS B 13 3.641 -6.018 5.108 1.00 0.00 N ATOM 1072 CA LYS B 13 4.475 -4.907 5.557 1.00 0.00 C ATOM 1073 C LYS B 13 5.222 -4.289 4.379 1.00 0.00 C ATOM 1074 O LYS B 13 5.629 -4.996 3.460 1.00 0.00 O ATOM 1075 CB LYS B 13 5.474 -5.388 6.612 1.00 0.00 C ATOM 1076 CG LYS B 13 4.817 -5.999 7.839 1.00 0.00 C ATOM 1077 CD LYS B 13 5.851 -6.527 8.821 1.00 0.00 C ATOM 1078 CE LYS B 13 6.775 -5.422 9.305 1.00 0.00 C ATOM 1079 NZ LYS B 13 6.028 -4.340 10.007 1.00 0.00 N ATOM 0 H LYS B 13 4.044 -6.563 4.346 1.00 0.00 H new ATOM 0 HA LYS B 13 3.829 -4.149 5.999 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.139 -6.125 6.161 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.094 -4.547 6.923 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.196 -5.251 8.331 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.157 -6.810 7.533 1.00 0.00 H new ATOM 0 HD2 LYS B 13 5.346 -6.980 9.674 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.439 -7.312 8.345 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.522 -5.843 9.978 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.312 -5.000 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.661 -3.861 10.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.678 -3.652 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.223 -4.751 10.522 1.00 0.00 H new ATOM 1093 N GLY B 14 5.401 -2.971 4.407 1.00 0.00 N ATOM 1094 CA GLY B 14 6.100 -2.308 3.323 1.00 0.00 C ATOM 1095 C GLY B 14 6.213 -0.808 3.512 1.00 0.00 C ATOM 1096 O GLY B 14 5.925 -0.284 4.588 1.00 0.00 O ATOM 0 H GLY B 14 5.077 -2.356 5.154 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.100 -2.732 3.231 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.580 -2.511 2.387 1.00 0.00 H new ATOM 1100 N GLU B 15 6.632 -0.120 2.455 1.00 0.00 N ATOM 1101 CA GLU B 15 6.786 1.330 2.489 1.00 0.00 C ATOM 1102 C GLU B 15 6.443 1.942 1.134 1.00 0.00 C ATOM 1103 O GLU B 15 6.582 1.295 0.095 1.00 0.00 O ATOM 1104 CB GLU B 15 8.216 1.704 2.886 1.00 0.00 C ATOM 1105 CG GLU B 15 8.618 1.182 4.256 1.00 0.00 C ATOM 1106 CD GLU B 15 10.040 1.552 4.633 1.00 0.00 C ATOM 1107 OE1 GLU B 15 10.722 2.206 3.815 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.474 1.185 5.744 1.00 0.00 O ATOM 0 H GLU B 15 6.872 -0.546 1.560 1.00 0.00 H new ATOM 0 HA GLU B 15 6.096 1.728 3.233 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.907 1.313 2.139 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.316 2.789 2.875 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.933 1.579 5.006 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.514 0.097 4.271 1.00 0.00 H new ATOM 1115 N THR B 16 5.984 3.189 1.154 1.00 0.00 N ATOM 1116 CA THR B 16 5.607 3.890 -0.067 1.00 0.00 C ATOM 1117 C THR B 16 5.816 5.398 0.080 1.00 0.00 C ATOM 1118 O THR B 16 6.075 5.888 1.176 1.00 0.00 O ATOM 1119 CB THR B 16 4.151 3.568 -0.426 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.626 4.549 -1.282 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.239 3.461 0.776 1.00 0.00 C ATOM 0 H THR B 16 5.864 3.736 2.006 1.00 0.00 H new ATOM 0 HA THR B 16 6.249 3.548 -0.878 1.00 0.00 H new ATOM 0 HB THR B 16 4.183 2.593 -0.913 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.767 4.244 -1.642 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.226 3.232 0.445 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.595 2.667 1.433 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.238 4.407 1.317 1.00 0.00 H new ATOM 1129 N THR B 17 5.725 6.132 -1.035 1.00 0.00 N ATOM 1130 CA THR B 17 5.932 7.581 -1.005 1.00 0.00 C ATOM 1131 C THR B 17 5.015 8.333 -1.973 1.00 0.00 C ATOM 1132 O THR B 17 5.060 8.118 -3.184 1.00 0.00 O ATOM 1133 CB THR B 17 7.388 7.907 -1.329 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.756 7.366 -2.586 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.364 7.383 -0.298 1.00 0.00 C ATOM 0 H THR B 17 5.512 5.751 -1.957 1.00 0.00 H new ATOM 0 HA THR B 17 5.684 7.913 0.003 1.00 0.00 H new ATOM 0 HB THR B 17 7.445 8.996 -1.336 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.984 7.385 -3.189 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.380 7.650 -0.590 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.138 7.823 0.673 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.278 6.298 -0.234 1.00 0.00 H new ATOM 1143 N THR B 18 4.206 9.239 -1.423 1.00 0.00 N ATOM 1144 CA THR B 18 3.294 10.060 -2.219 1.00 0.00 C ATOM 1145 C THR B 18 3.797 11.503 -2.255 1.00 0.00 C ATOM 1146 O THR B 18 4.400 11.979 -1.294 1.00 0.00 O ATOM 1147 CB THR B 18 1.884 10.021 -1.622 1.00 0.00 C ATOM 1148 OG1 THR B 18 0.973 10.714 -2.455 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.799 10.636 -0.241 1.00 0.00 C ATOM 0 H THR B 18 4.164 9.423 -0.421 1.00 0.00 H new ATOM 0 HA THR B 18 3.258 9.662 -3.233 1.00 0.00 H new ATOM 0 HB THR B 18 1.630 8.964 -1.546 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.256 10.631 -3.390 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.773 10.575 0.122 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.457 10.096 0.439 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.105 11.681 -0.289 1.00 0.00 H new ATOM 1157 N GLU B 19 3.553 12.196 -3.362 1.00 0.00 N ATOM 1158 CA GLU B 19 3.991 13.583 -3.501 1.00 0.00 C ATOM 1159 C GLU B 19 2.796 14.527 -3.429 1.00 0.00 C ATOM 1160 O GLU B 19 1.887 14.451 -4.256 1.00 0.00 O ATOM 1161 CB GLU B 19 4.747 13.768 -4.821 1.00 0.00 C ATOM 1162 CG GLU B 19 5.382 15.141 -4.986 1.00 0.00 C ATOM 1163 CD GLU B 19 4.387 16.216 -5.385 1.00 0.00 C ATOM 1164 OE1 GLU B 19 3.230 15.871 -5.697 1.00 0.00 O ATOM 1165 OE2 GLU B 19 4.776 17.402 -5.405 1.00 0.00 O ATOM 0 H GLU B 19 3.057 11.824 -4.172 1.00 0.00 H new ATOM 0 HA GLU B 19 4.666 13.822 -2.679 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.526 13.009 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.059 13.596 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.861 15.428 -4.050 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.167 15.083 -5.740 1.00 0.00 H new ATOM 1172 N ALA B 20 2.793 15.407 -2.433 1.00 0.00 N ATOM 1173 CA ALA B 20 1.693 16.348 -2.261 1.00 0.00 C ATOM 1174 C ALA B 20 2.155 17.663 -1.635 1.00 0.00 C ATOM 1175 O ALA B 20 3.141 17.705 -0.900 1.00 0.00 O ATOM 1176 CB ALA B 20 0.597 15.718 -1.418 1.00 0.00 C ATOM 0 H ALA B 20 3.535 15.488 -1.737 1.00 0.00 H new ATOM 0 HA ALA B 20 1.301 16.581 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.221 16.428 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.227 14.821 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.998 15.453 -0.440 1.00 0.00 H new ATOM 1182 N VAL B 21 1.433 18.732 -1.954 1.00 0.00 N ATOM 1183 CA VAL B 21 1.752 20.066 -1.454 1.00 0.00 C ATOM 1184 C VAL B 21 1.929 20.066 0.065 1.00 0.00 C ATOM 1185 O VAL B 21 2.676 20.878 0.610 1.00 0.00 O ATOM 1186 CB VAL B 21 0.646 21.074 -1.820 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.073 22.492 -1.476 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.283 20.956 -3.293 1.00 0.00 C ATOM 0 H VAL B 21 0.615 18.700 -2.563 1.00 0.00 H new ATOM 0 HA VAL B 21 2.689 20.362 -1.926 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.241 20.840 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.277 23.187 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.273 22.563 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL B 21 1.976 22.745 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.500 21.675 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.163 21.160 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -0.075 19.948 -3.500 1.00 0.00 H new ATOM 1198 N ASP B 22 1.246 19.148 0.740 1.00 0.00 N ATOM 1199 CA ASP B 22 1.344 19.048 2.194 1.00 0.00 C ATOM 1200 C ASP B 22 1.063 17.630 2.678 1.00 0.00 C ATOM 1201 O ASP B 22 0.638 16.771 1.905 1.00 0.00 O ATOM 1202 CB ASP B 22 0.391 20.039 2.868 1.00 0.00 C ATOM 1203 CG ASP B 22 -1.015 19.967 2.311 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.192 20.288 1.117 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.937 19.589 3.064 1.00 0.00 O ATOM 0 H ASP B 22 0.622 18.466 0.309 1.00 0.00 H new ATOM 0 HA ASP B 22 2.367 19.299 2.472 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.364 19.840 3.939 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.776 21.051 2.742 1.00 0.00 H new ATOM 1210 N ALA B 23 1.309 17.391 3.963 1.00 0.00 N ATOM 1211 CA ALA B 23 1.090 16.076 4.552 1.00 0.00 C ATOM 1212 C ALA B 23 -0.349 15.622 4.371 1.00 0.00 C ATOM 1213 O ALA B 23 -0.608 14.461 4.053 1.00 0.00 O ATOM 1214 CB ALA B 23 1.472 16.085 6.024 1.00 0.00 C ATOM 0 H ALA B 23 1.660 18.092 4.616 1.00 0.00 H new ATOM 0 HA ALA B 23 1.729 15.362 4.031 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.303 15.096 6.450 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.525 16.348 6.125 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.862 16.817 6.554 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.286 16.542 4.560 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.696 16.223 4.399 1.00 0.00 C ATOM 1222 C ALA B 24 -2.976 15.822 2.961 1.00 0.00 C ATOM 1223 O ALA B 24 -3.479 14.730 2.701 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.565 17.401 4.811 1.00 0.00 C ATOM 0 H ALA B 24 -1.096 17.509 4.823 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.942 15.383 5.049 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.616 17.141 4.683 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.377 17.644 5.857 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.327 18.264 4.189 1.00 0.00 H new ATOM 1230 N THR B 25 -2.622 16.695 2.019 1.00 0.00 N ATOM 1231 CA THR B 25 -2.813 16.399 0.611 1.00 0.00 C ATOM 1232 C THR B 25 -2.204 15.042 0.294 1.00 0.00 C ATOM 1233 O THR B 25 -2.827 14.207 -0.362 1.00 0.00 O ATOM 1234 CB THR B 25 -2.187 17.492 -0.256 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.843 17.738 0.123 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.939 18.804 -0.197 1.00 0.00 C ATOM 0 H THR B 25 -2.204 17.606 2.209 1.00 0.00 H new ATOM 0 HA THR B 25 -3.880 16.369 0.390 1.00 0.00 H new ATOM 0 HB THR B 25 -2.236 17.112 -1.276 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.663 17.309 0.985 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.443 19.537 -0.834 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.961 18.654 -0.545 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.955 19.168 0.830 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.993 14.812 0.799 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.324 13.540 0.600 1.00 0.00 C ATOM 1246 C ALA B 26 -1.166 12.433 1.215 1.00 0.00 C ATOM 1247 O ALA B 26 -1.495 11.448 0.554 1.00 0.00 O ATOM 1248 CB ALA B 26 1.070 13.565 1.213 1.00 0.00 C ATOM 0 H ALA B 26 -0.462 15.490 1.346 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.211 13.353 -0.468 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.555 12.602 1.053 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.660 14.351 0.742 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.994 13.760 2.283 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.530 12.613 2.483 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.353 11.647 3.193 1.00 0.00 C ATOM 1256 C GLU B 27 -3.622 11.337 2.403 1.00 0.00 C ATOM 1257 O GLU B 27 -3.964 10.173 2.197 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.719 12.187 4.577 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.597 11.251 5.389 1.00 0.00 C ATOM 1260 CD GLU B 27 -3.931 11.808 6.759 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -4.543 12.894 6.826 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -3.580 11.158 7.766 1.00 0.00 O ATOM 0 H GLU B 27 -1.264 13.426 3.039 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.782 10.726 3.308 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.803 12.384 5.133 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.233 13.141 4.460 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.521 11.060 4.843 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.091 10.292 5.504 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.307 12.386 1.952 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.534 12.227 1.178 1.00 0.00 C ATOM 1271 C LYS B 28 -5.277 11.424 -0.087 1.00 0.00 C ATOM 1272 O LYS B 28 -6.079 10.567 -0.464 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.120 13.593 0.817 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.544 14.406 2.029 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.555 13.649 2.873 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.008 14.471 4.070 1.00 0.00 C ATOM 1277 NZ LYS B 28 -6.870 14.830 4.961 1.00 0.00 N ATOM 0 H LYS B 28 -4.032 13.355 2.110 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.251 11.685 1.794 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.381 14.159 0.249 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.982 13.450 0.165 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.669 14.646 2.633 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.975 15.352 1.702 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.419 13.388 2.261 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.115 12.714 3.218 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.497 15.381 3.721 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.749 13.908 4.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.237 15.192 5.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.288 13.987 5.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.290 15.562 4.505 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.150 11.694 -0.734 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.784 10.982 -1.948 1.00 0.00 C ATOM 1293 C VAL B 29 -3.644 9.497 -1.658 1.00 0.00 C ATOM 1294 O VAL B 29 -3.983 8.654 -2.488 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.468 11.520 -2.545 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -2.103 10.763 -3.814 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.577 13.013 -2.823 1.00 0.00 C ATOM 0 H VAL B 29 -3.476 12.400 -0.438 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.578 11.141 -2.678 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.673 11.364 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -1.171 11.159 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.978 9.705 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.898 10.882 -4.550 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.639 13.374 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.386 13.193 -3.531 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.785 13.542 -1.893 1.00 0.00 H new ATOM 1307 N VAL B 30 -3.161 9.185 -0.463 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.999 7.802 -0.053 1.00 0.00 C ATOM 1309 C VAL B 30 -4.376 7.156 0.100 1.00 0.00 C ATOM 1310 O VAL B 30 -4.632 6.086 -0.451 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.224 7.689 1.270 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.805 6.249 1.521 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -1.013 8.611 1.265 1.00 0.00 C ATOM 0 H VAL B 30 -2.876 9.871 0.236 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.423 7.285 -0.821 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.882 8.000 2.081 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.258 6.188 2.462 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.691 5.616 1.575 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.166 5.909 0.706 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.479 8.515 2.210 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.350 8.337 0.444 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.341 9.642 1.137 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.278 7.830 0.828 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.642 7.320 1.013 1.00 0.00 C ATOM 1325 C LYS B 31 -7.214 6.883 -0.323 1.00 0.00 C ATOM 1326 O LYS B 31 -7.802 5.810 -0.446 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.562 8.382 1.625 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.433 8.527 3.130 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.032 8.922 3.540 1.00 0.00 C ATOM 1330 CE LYS B 31 -5.919 9.055 5.050 1.00 0.00 C ATOM 1331 NZ LYS B 31 -6.582 7.925 5.758 1.00 0.00 N ATOM 0 H LYS B 31 -5.090 8.718 1.293 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.588 6.473 1.697 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.347 9.344 1.159 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.595 8.134 1.383 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -8.140 9.277 3.484 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.700 7.585 3.610 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.322 8.176 3.184 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.765 9.867 3.068 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -4.867 9.094 5.333 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.369 9.996 5.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.354 7.969 6.772 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.612 7.992 5.631 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -6.243 7.023 5.366 1.00 0.00 H new ATOM 1345 N GLN B 32 -7.022 7.730 -1.324 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.501 7.444 -2.660 1.00 0.00 C ATOM 1347 C GLN B 32 -6.704 6.291 -3.255 1.00 0.00 C ATOM 1348 O GLN B 32 -7.257 5.407 -3.911 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.391 8.687 -3.528 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.868 8.488 -4.956 1.00 0.00 C ATOM 1351 CD GLN B 32 -7.920 9.785 -5.749 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -8.240 9.781 -6.937 1.00 0.00 O ATOM 1353 NE2 GLN B 32 -7.615 10.906 -5.096 1.00 0.00 N ATOM 0 H GLN B 32 -6.536 8.622 -1.231 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.550 7.152 -2.616 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.970 9.489 -3.071 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.352 9.015 -3.545 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.205 7.786 -5.461 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -8.860 8.036 -4.943 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -7.354 10.867 -4.111 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -7.642 11.803 -5.582 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.399 6.298 -2.993 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.516 5.241 -3.469 1.00 0.00 C ATOM 1364 C PHE B 33 -5.093 3.883 -3.083 1.00 0.00 C ATOM 1365 O PHE B 33 -5.251 2.998 -3.918 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.121 5.423 -2.855 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.076 4.496 -3.405 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.596 4.663 -4.693 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.566 3.461 -2.631 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.633 3.816 -5.204 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.602 2.611 -3.138 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.134 2.790 -4.427 1.00 0.00 C ATOM 0 H PHE B 33 -4.931 7.026 -2.453 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.432 5.293 -4.555 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.798 6.452 -3.016 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.190 5.275 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.980 5.466 -5.305 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.927 3.319 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.270 3.956 -6.212 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.214 1.808 -2.529 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.621 2.128 -4.825 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.443 3.759 -1.810 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.039 2.533 -1.286 1.00 0.00 C ATOM 1384 C PHE B 34 -7.504 2.455 -1.686 1.00 0.00 C ATOM 1385 O PHE B 34 -8.015 1.382 -2.008 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.853 2.467 0.225 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.403 2.440 0.597 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.526 1.618 -0.092 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.910 3.246 1.609 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.185 1.602 0.217 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.566 3.228 1.926 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.705 2.405 1.225 1.00 0.00 C ATOM 0 H PHE B 34 -5.324 4.496 -1.115 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.535 1.667 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.333 3.328 0.690 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.347 1.577 0.615 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.899 0.982 -0.881 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.581 3.893 2.154 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.511 0.960 -0.331 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -2.189 3.856 2.720 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.653 2.392 1.469 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.169 3.603 -1.696 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.568 3.671 -2.096 1.00 0.00 C ATOM 1404 C ASN B 35 -9.755 2.964 -3.435 1.00 0.00 C ATOM 1405 O ASN B 35 -10.738 2.259 -3.659 1.00 0.00 O ATOM 1406 CB ASN B 35 -10.005 5.130 -2.237 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.464 5.256 -2.619 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.896 4.748 -3.653 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.228 5.942 -1.784 1.00 0.00 N ATOM 0 H ASN B 35 -7.762 4.500 -1.432 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.174 3.184 -1.333 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.831 5.652 -1.296 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.390 5.620 -2.992 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.220 6.067 -1.986 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.825 6.345 -0.938 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.789 3.185 -4.320 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.812 2.599 -5.655 1.00 0.00 C ATOM 1418 C ASP B 36 -8.028 1.289 -5.741 1.00 0.00 C ATOM 1419 O ASP B 36 -8.315 0.457 -6.601 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.276 3.601 -6.678 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.096 4.878 -6.722 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.075 4.984 -5.953 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.758 5.773 -7.525 1.00 0.00 O ATOM 0 H ASP B 36 -7.975 3.770 -4.135 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.852 2.362 -5.880 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.242 3.845 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.272 3.141 -7.666 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.058 1.082 -4.849 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.297 -0.166 -4.868 1.00 0.00 C ATOM 1430 C ASN B 37 -7.114 -1.265 -4.213 1.00 0.00 C ATOM 1431 O ASN B 37 -7.233 -2.365 -4.750 1.00 0.00 O ATOM 1432 CB ASN B 37 -4.952 -0.028 -4.144 1.00 0.00 C ATOM 1433 CG ASN B 37 -3.980 0.891 -4.858 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.896 0.887 -6.086 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.213 1.660 -4.090 1.00 0.00 N ATOM 0 H ASN B 37 -6.786 1.744 -4.122 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.091 -0.415 -5.909 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.126 0.350 -3.137 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.500 -1.014 -4.040 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.522 2.278 -4.516 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.316 1.632 -3.076 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.685 -0.931 -3.054 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.517 -1.843 -2.285 1.00 0.00 C ATOM 1444 C GLY B 38 -8.793 -3.184 -2.937 1.00 0.00 C ATOM 1445 O GLY B 38 -7.880 -3.975 -3.177 1.00 0.00 O ATOM 0 H GLY B 38 -7.579 -0.012 -2.624 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.038 -2.019 -1.322 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.470 -1.354 -2.083 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.070 -3.461 -3.152 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.495 -4.741 -3.705 1.00 0.00 C ATOM 1451 C VAL B 39 -11.066 -4.641 -5.119 1.00 0.00 C ATOM 1452 O VAL B 39 -11.539 -5.638 -5.662 1.00 0.00 O ATOM 1453 CB VAL B 39 -11.571 -5.360 -2.801 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -11.972 -6.747 -3.287 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.096 -5.406 -1.357 1.00 0.00 C ATOM 0 H VAL B 39 -10.834 -2.815 -2.952 1.00 0.00 H new ATOM 0 HA VAL B 39 -9.599 -5.360 -3.754 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.456 -4.726 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -12.735 -7.158 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.369 -6.677 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.099 -7.400 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -11.872 -5.848 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.190 -6.009 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -10.884 -4.394 -1.011 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.032 -3.464 -5.725 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.564 -3.308 -7.079 1.00 0.00 C ATOM 1467 C ASP B 40 -10.530 -2.705 -8.034 1.00 0.00 C ATOM 1468 O ASP B 40 -10.873 -2.291 -9.141 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.817 -2.429 -7.054 1.00 0.00 C ATOM 1470 CG ASP B 40 -13.918 -3.016 -6.193 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.684 -3.208 -4.981 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.012 -3.279 -6.730 1.00 0.00 O ATOM 0 H ASP B 40 -10.649 -2.613 -5.313 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.818 -4.302 -7.446 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.556 -1.439 -6.680 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.186 -2.298 -8.071 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.273 -2.646 -7.603 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.230 -2.078 -8.443 1.00 0.00 C ATOM 1479 C GLY B 41 -7.699 -3.055 -9.477 1.00 0.00 C ATOM 1480 O GLY B 41 -8.063 -4.231 -9.479 1.00 0.00 O ATOM 0 H GLY B 41 -8.958 -2.979 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.621 -1.197 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.407 -1.743 -7.812 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.826 -2.562 -10.356 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.228 -3.388 -11.403 1.00 0.00 C ATOM 1486 C GLU B 42 -4.867 -3.915 -10.958 1.00 0.00 C ATOM 1487 O GLU B 42 -3.879 -3.175 -10.940 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.072 -2.581 -12.693 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.384 -2.038 -13.234 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.376 -3.136 -13.563 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -8.052 -3.991 -14.414 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -9.475 -3.142 -12.969 1.00 0.00 O ATOM 0 H GLU B 42 -6.517 -1.590 -10.363 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.890 -4.234 -11.589 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.392 -1.749 -12.511 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.609 -3.211 -13.452 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.824 -1.363 -12.500 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.188 -1.450 -14.130 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.828 -5.185 -10.564 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.596 -5.798 -10.082 1.00 0.00 C ATOM 1501 C TRP B 43 -2.939 -6.702 -11.122 1.00 0.00 C ATOM 1502 O TRP B 43 -3.532 -7.681 -11.572 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.886 -6.641 -8.843 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.508 -5.886 -7.711 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.474 -4.922 -7.784 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.211 -6.056 -6.327 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.791 -4.483 -6.520 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.028 -5.164 -5.612 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.331 -6.878 -5.626 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -4.991 -5.072 -4.225 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.293 -6.788 -4.251 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.120 -5.890 -3.560 1.00 0.00 C ATOM 0 H TRP B 43 -5.635 -5.808 -10.569 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.913 -4.980 -9.856 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.548 -7.461 -9.123 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.954 -7.088 -8.497 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.921 -4.559 -8.698 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.482 -3.767 -6.296 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.691 -7.572 -6.150 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.627 -4.380 -3.693 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.615 -7.420 -3.696 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.068 -5.844 -2.482 1.00 0.00 H new ATOM 1523 N THR B 44 -1.692 -6.391 -11.460 1.00 0.00 N ATOM 1524 CA THR B 44 -0.930 -7.200 -12.400 1.00 0.00 C ATOM 1525 C THR B 44 0.103 -8.015 -11.624 1.00 0.00 C ATOM 1526 O THR B 44 0.775 -7.486 -10.739 1.00 0.00 O ATOM 1527 CB THR B 44 -0.248 -6.317 -13.448 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.564 -5.338 -12.830 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.227 -5.597 -14.350 1.00 0.00 C ATOM 0 H THR B 44 -1.188 -5.583 -11.095 1.00 0.00 H new ATOM 0 HA THR B 44 -1.604 -7.875 -12.928 1.00 0.00 H new ATOM 0 HB THR B 44 0.349 -6.998 -14.054 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.904 -5.685 -11.979 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.679 -4.989 -15.070 1.00 0.00 H new ATOM 0 HG22 THR B 44 -1.837 -6.327 -14.882 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.872 -4.956 -13.749 1.00 0.00 H new ATOM 1537 N TYR B 45 0.212 -9.304 -11.932 1.00 0.00 N ATOM 1538 CA TYR B 45 1.150 -10.171 -11.222 1.00 0.00 C ATOM 1539 C TYR B 45 2.307 -10.613 -12.113 1.00 0.00 C ATOM 1540 O TYR B 45 2.133 -10.851 -13.308 1.00 0.00 O ATOM 1541 CB TYR B 45 0.412 -11.398 -10.681 1.00 0.00 C ATOM 1542 CG TYR B 45 1.284 -12.320 -9.856 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.173 -11.815 -8.916 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.214 -13.699 -10.019 1.00 0.00 C ATOM 1545 CE1 TYR B 45 2.968 -12.657 -8.159 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.006 -14.547 -9.265 1.00 0.00 C ATOM 1547 CZ TYR B 45 2.881 -14.020 -8.339 1.00 0.00 C ATOM 1548 OH TYR B 45 3.670 -14.860 -7.584 1.00 0.00 O ATOM 0 H TYR B 45 -0.331 -9.769 -12.660 1.00 0.00 H new ATOM 0 HA TYR B 45 1.571 -9.597 -10.397 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.428 -11.066 -10.071 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -0.004 -11.959 -11.518 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.245 -10.747 -8.774 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.531 -14.115 -10.745 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.653 -12.248 -7.431 1.00 0.00 H new ATOM 0 HE2 TYR B 45 1.939 -15.616 -9.401 1.00 0.00 H new ATOM 0 HH TYR B 45 3.488 -15.790 -7.832 1.00 0.00 H new ATOM 1558 N ASP B 46 3.487 -10.743 -11.507 1.00 0.00 N ATOM 1559 CA ASP B 46 4.680 -11.179 -12.222 1.00 0.00 C ATOM 1560 C ASP B 46 5.279 -12.409 -11.545 1.00 0.00 C ATOM 1561 O ASP B 46 6.218 -12.301 -10.757 1.00 0.00 O ATOM 1562 CB ASP B 46 5.713 -10.051 -12.271 1.00 0.00 C ATOM 1563 CG ASP B 46 6.965 -10.445 -13.032 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.626 -11.421 -12.619 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.281 -9.781 -14.041 1.00 0.00 O ATOM 0 H ASP B 46 3.640 -10.551 -10.517 1.00 0.00 H new ATOM 0 HA ASP B 46 4.398 -11.440 -13.242 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.267 -9.174 -12.740 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.984 -9.766 -11.254 1.00 0.00 H new ATOM 1570 N ASP B 47 4.724 -13.580 -11.849 1.00 0.00 N ATOM 1571 CA ASP B 47 5.195 -14.831 -11.259 1.00 0.00 C ATOM 1572 C ASP B 47 6.715 -14.952 -11.339 1.00 0.00 C ATOM 1573 O ASP B 47 7.352 -15.490 -10.432 1.00 0.00 O ATOM 1574 CB ASP B 47 4.542 -16.023 -11.960 1.00 0.00 C ATOM 1575 CG ASP B 47 3.031 -16.007 -11.840 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.408 -15.030 -12.306 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.470 -16.971 -11.277 1.00 0.00 O ATOM 0 H ASP B 47 3.947 -13.689 -12.501 1.00 0.00 H new ATOM 0 HA ASP B 47 4.912 -14.828 -10.206 1.00 0.00 H new ATOM 0 HB2 ASP B 47 4.820 -16.018 -13.014 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.928 -16.948 -11.533 1.00 0.00 H new ATOM 1582 N ALA B 48 7.288 -14.458 -12.431 1.00 0.00 N ATOM 1583 CA ALA B 48 8.733 -14.520 -12.637 1.00 0.00 C ATOM 1584 C ALA B 48 9.504 -14.001 -11.423 1.00 0.00 C ATOM 1585 O ALA B 48 10.624 -14.437 -11.161 1.00 0.00 O ATOM 1586 CB ALA B 48 9.119 -13.733 -13.880 1.00 0.00 C ATOM 0 H ALA B 48 6.774 -14.009 -13.189 1.00 0.00 H new ATOM 0 HA ALA B 48 9.002 -15.567 -12.774 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.198 -13.786 -14.024 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.616 -14.156 -14.749 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.820 -12.692 -13.759 1.00 0.00 H new ATOM 1592 N THR B 49 8.903 -13.072 -10.687 1.00 0.00 N ATOM 1593 CA THR B 49 9.547 -12.503 -9.505 1.00 0.00 C ATOM 1594 C THR B 49 8.634 -12.570 -8.280 1.00 0.00 C ATOM 1595 O THR B 49 8.917 -11.953 -7.253 1.00 0.00 O ATOM 1596 CB THR B 49 9.951 -11.052 -9.772 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.816 -10.265 -10.085 1.00 0.00 O ATOM 1598 CG2 THR B 49 10.939 -10.906 -10.908 1.00 0.00 C ATOM 0 H THR B 49 7.975 -12.697 -10.885 1.00 0.00 H new ATOM 0 HA THR B 49 10.437 -13.096 -9.295 1.00 0.00 H new ATOM 0 HB THR B 49 10.426 -10.710 -8.853 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.398 -10.605 -10.904 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.183 -9.853 -11.045 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.847 -11.462 -10.674 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.500 -11.298 -11.825 1.00 0.00 H new ATOM 1606 N LYS B 50 7.536 -13.314 -8.392 1.00 0.00 N ATOM 1607 CA LYS B 50 6.588 -13.446 -7.287 1.00 0.00 C ATOM 1608 C LYS B 50 6.218 -12.076 -6.725 1.00 0.00 C ATOM 1609 O LYS B 50 6.003 -11.920 -5.521 1.00 0.00 O ATOM 1610 CB LYS B 50 7.174 -14.318 -6.182 1.00 0.00 C ATOM 1611 CG LYS B 50 7.458 -15.742 -6.628 1.00 0.00 C ATOM 1612 CD LYS B 50 6.976 -16.747 -5.600 1.00 0.00 C ATOM 1613 CE LYS B 50 7.669 -16.558 -4.261 1.00 0.00 C ATOM 1614 NZ LYS B 50 9.146 -16.714 -4.372 1.00 0.00 N ATOM 0 H LYS B 50 7.281 -13.833 -9.232 1.00 0.00 H new ATOM 0 HA LYS B 50 5.686 -13.921 -7.672 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.099 -13.866 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.482 -14.339 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS B 50 6.967 -15.931 -7.583 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.529 -15.868 -6.789 1.00 0.00 H new ATOM 0 HD2 LYS B 50 5.899 -16.646 -5.470 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.159 -17.757 -5.965 1.00 0.00 H new ATOM 0 HE2 LYS B 50 7.437 -15.568 -3.869 1.00 0.00 H new ATOM 0 HE3 LYS B 50 7.280 -17.283 -3.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 9.560 -16.781 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 9.365 -17.579 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 9.546 -15.891 -4.867 1.00 0.00 H new ATOM 1628 N THR B 51 6.160 -11.081 -7.605 1.00 0.00 N ATOM 1629 CA THR B 51 5.829 -9.721 -7.200 1.00 0.00 C ATOM 1630 C THR B 51 4.580 -9.225 -7.919 1.00 0.00 C ATOM 1631 O THR B 51 4.419 -9.428 -9.122 1.00 0.00 O ATOM 1632 CB THR B 51 7.006 -8.787 -7.492 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.156 -9.191 -6.771 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.730 -7.339 -7.140 1.00 0.00 C ATOM 0 H THR B 51 6.338 -11.192 -8.603 1.00 0.00 H new ATOM 0 HA THR B 51 5.628 -9.724 -6.129 1.00 0.00 H new ATOM 0 HB THR B 51 7.166 -8.856 -8.568 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.395 -10.107 -7.024 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.607 -6.734 -7.373 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.878 -6.980 -7.717 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.507 -7.259 -6.076 1.00 0.00 H new ATOM 1642 N PHE B 52 3.702 -8.568 -7.171 1.00 0.00 N ATOM 1643 CA PHE B 52 2.468 -8.033 -7.731 1.00 0.00 C ATOM 1644 C PHE B 52 2.562 -6.516 -7.857 1.00 0.00 C ATOM 1645 O PHE B 52 3.156 -5.859 -7.013 1.00 0.00 O ATOM 1646 CB PHE B 52 1.274 -8.392 -6.840 1.00 0.00 C ATOM 1647 CG PHE B 52 1.156 -9.856 -6.526 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.112 -10.493 -5.750 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.081 -10.595 -6.998 1.00 0.00 C ATOM 1650 CE1 PHE B 52 1.998 -11.837 -5.450 1.00 0.00 C ATOM 1651 CE2 PHE B 52 -0.036 -11.939 -6.700 1.00 0.00 C ATOM 1652 CZ PHE B 52 0.923 -12.561 -5.927 1.00 0.00 C ATOM 0 H PHE B 52 3.822 -8.393 -6.173 1.00 0.00 H new ATOM 0 HA PHE B 52 2.323 -8.472 -8.718 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.353 -7.837 -5.905 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.358 -8.062 -7.330 1.00 0.00 H new ATOM 0 HD1 PHE B 52 2.956 -9.932 -5.376 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.672 -10.115 -7.605 1.00 0.00 H new ATOM 0 HE1 PHE B 52 2.749 -12.321 -4.843 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.878 -12.503 -7.072 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.833 -13.612 -5.695 1.00 0.00 H new ATOM 1662 N THR B 53 1.965 -5.962 -8.904 1.00 0.00 N ATOM 1663 CA THR B 53 1.981 -4.518 -9.104 1.00 0.00 C ATOM 1664 C THR B 53 0.567 -3.957 -9.158 1.00 0.00 C ATOM 1665 O THR B 53 -0.278 -4.430 -9.918 1.00 0.00 O ATOM 1666 CB THR B 53 2.748 -4.142 -10.375 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.475 -5.054 -11.420 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.249 -4.081 -10.180 1.00 0.00 C ATOM 0 H THR B 53 1.467 -6.486 -9.624 1.00 0.00 H new ATOM 0 HA THR B 53 2.496 -4.077 -8.250 1.00 0.00 H new ATOM 0 HB THR B 53 2.399 -3.142 -10.633 1.00 0.00 H new ATOM 0 HG1 THR B 53 2.007 -4.590 -12.145 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.727 -3.809 -11.121 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.487 -3.334 -9.423 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.614 -5.056 -9.856 1.00 0.00 H new ATOM 1676 N VAL B 54 0.329 -2.932 -8.352 1.00 0.00 N ATOM 1677 CA VAL B 54 -0.969 -2.277 -8.302 1.00 0.00 C ATOM 1678 C VAL B 54 -0.875 -0.909 -8.961 1.00 0.00 C ATOM 1679 O VAL B 54 -0.237 0.000 -8.431 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.470 -2.119 -6.851 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.858 -1.502 -6.828 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.463 -3.462 -6.136 1.00 0.00 C ATOM 0 H VAL B 54 1.024 -2.534 -7.720 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.683 -2.902 -8.838 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.792 -1.448 -6.323 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.193 -1.399 -5.796 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.827 -0.520 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.551 -2.144 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.819 -3.332 -5.114 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.116 -4.158 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.448 -3.860 -6.119 1.00 0.00 H new ATOM 1692 N THR B 55 -1.493 -0.770 -10.128 1.00 0.00 N ATOM 1693 CA THR B 55 -1.441 0.493 -10.853 1.00 0.00 C ATOM 1694 C THR B 55 -2.716 1.304 -10.663 1.00 0.00 C ATOM 1695 O THR B 55 -3.799 0.888 -11.077 1.00 0.00 O ATOM 1696 CB THR B 55 -1.189 0.250 -12.339 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.137 -0.680 -12.524 1.00 0.00 O ATOM 1698 CG2 THR B 55 -0.807 1.513 -13.078 1.00 0.00 C ATOM 0 H THR B 55 -2.029 -1.506 -10.587 1.00 0.00 H new ATOM 0 HA THR B 55 -0.613 1.070 -10.442 1.00 0.00 H new ATOM 0 HB THR B 55 -2.128 -0.132 -12.739 1.00 0.00 H new ATOM 0 HG1 THR B 55 0.008 -0.824 -13.483 1.00 0.00 H new ATOM 0 HG21 THR B 55 -0.639 1.282 -14.130 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.611 2.243 -12.990 1.00 0.00 H new ATOM 0 HG23 THR B 55 0.106 1.925 -12.647 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.576 2.467 -10.033 1.00 0.00 N ATOM 1707 CA GLU B 56 -3.710 3.348 -9.784 1.00 0.00 C ATOM 1708 C GLU B 56 -4.401 3.729 -11.090 1.00 0.00 C ATOM 1709 O GLU B 56 -3.728 4.311 -11.967 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.245 4.609 -9.050 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.363 5.597 -8.764 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.464 4.999 -7.913 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.178 4.593 -6.767 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -6.616 4.933 -8.395 1.00 0.00 O ATOM 1715 OXT GLU B 56 -5.610 3.444 -11.225 1.00 0.00 O ATOM 0 H GLU B 56 -1.685 2.821 -9.685 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.427 2.814 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -2.779 4.319 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.479 5.104 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -3.951 6.470 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -4.786 5.945 -9.707 1.00 0.00 H new TER 1722 GLU B 56