USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=42 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: B 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 51 THR OG1 : rot 60:sc= 0.93 USER MOD Set 2.1: B 44 THR OG1 : rot 59:sc= 1.68! USER MOD Set 2.2: B 53 THR OG1 : rot 105:sc= 1.93 USER MOD Set 3.1: B 2 GLN : amide:sc= -1.37 K(o=-0.94,f=-4.4!) USER MOD Set 3.2: B 17 THR OG1 : rot 29:sc= 0.428 USER MOD Set 4.1: B 8 ASN : amide:sc= -2.42! C(o=-4.2!,f=-4.5!) USER MOD Set 4.2: B 13 LYS NZ :NH3+ 170:sc= -1.82! (180deg=-0.203) USER MOD Set 5.1: B 1 MET CE :methyl 174:sc= -1.36 (180deg=-1.49) USER MOD Set 5.2: B 3 TYR OH : rot 180:sc= -0.958 USER MOD Set 6.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 51 THR OG1 : rot 59:sc= 0.932 USER MOD Set 7.1: A 44 THR OG1 : rot 77:sc= 1.44 USER MOD Set 7.2: A 53 THR OG1 : rot 107:sc= 1.76 USER MOD Set 8.1: A 8 ASN : amide:sc= -2.44! C(o=-4.3!,f=-4.5!) USER MOD Set 8.2: A 13 LYS NZ :NH3+ 166:sc= -1.81! (180deg=-0.194) USER MOD Set 9.1: A 2 GLN : amide:sc= -1.44 K(o=-1.1,f=-4.4!) USER MOD Set 9.2: A 17 THR OG1 : rot 43:sc= 0.34 USER MOD Set10.1: A 1 MET CE :methyl 173:sc= -1.34 (180deg=-1.49) USER MOD Set10.2: A 3 TYR OH : rot 180:sc= -0.982 USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0101 (180deg=-0.224) USER MOD Single : A 4 LYS NZ :NH3+ 132:sc= -2.49! (180deg=-5.46!) USER MOD Single : A 10 LYS NZ :NH3+ 158:sc= -1.89! (180deg=-3.29!) USER MOD Single : A 11 THR OG1 : rot -140:sc= -2.97! USER MOD Single : A 16 THR OG1 : rot 167:sc= -5.11! USER MOD Single : A 18 THR OG1 : rot 33:sc= 0.676 USER MOD Single : A 25 THR OG1 : rot -12:sc= 0.235! USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= -0.0538 (180deg=-0.261) USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= -0.227 (180deg=-0.899) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.31 F(o=-3.7,f=-2.3) USER MOD Single : A 35 ASN : amide:sc= -4.14! C(o=-4.1!,f=-4.3!) USER MOD Single : A 37 ASN : amide:sc= -5.68! X(o=-5.7!,f=-5.5) USER MOD Single : A 45 TYR OH : rot 76:sc= -0.905 USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= -0.0395 (180deg=-0.262) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -165:sc= -0.0088 (180deg=-0.219) USER MOD Single : B 4 LYS NZ :NH3+ 134:sc= -2.43! (180deg=-5.19!) USER MOD Single : B 10 LYS NZ :NH3+ 157:sc= -1.87! (180deg=-3.3!) USER MOD Single : B 11 THR OG1 : rot -140:sc= -3! USER MOD Single : B 16 THR OG1 : rot 165:sc= -5.18! USER MOD Single : B 18 THR OG1 : rot 33:sc= 0.675 USER MOD Single : B 25 THR OG1 : rot -18:sc= 0.136! USER MOD Single : B 28 LYS NZ :NH3+ -168:sc= -0.0439 (180deg=-0.267) USER MOD Single : B 31 LYS NZ :NH3+ 152:sc= -0.21 (180deg=-0.888) USER MOD Single : B 32 GLN :FLIP amide:sc= -2.31 F(o=-3.7,f=-2.3) USER MOD Single : B 35 ASN : amide:sc= -4.05! C(o=-4.1!,f=-4.4!) USER MOD Single : B 37 ASN : amide:sc= -5.57! X(o=-5.6!,f=-5.5) USER MOD Single : B 45 TYR OH : rot 76:sc= -0.886 USER MOD Single : B 50 LYS NZ :NH3+ 167:sc= -0.0372 (180deg=-0.252) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.467 -18.930 2.264 1.00 0.00 N ATOM 2 CA MET A 1 6.955 -18.074 1.151 1.00 0.00 C ATOM 3 C MET A 1 6.462 -16.637 1.293 1.00 0.00 C ATOM 4 O MET A 1 5.321 -16.396 1.681 1.00 0.00 O ATOM 5 CB MET A 1 6.473 -18.668 -0.173 1.00 0.00 C ATOM 6 CG MET A 1 7.113 -20.004 -0.510 1.00 0.00 C ATOM 7 SD MET A 1 6.476 -20.711 -2.043 1.00 0.00 S ATOM 8 CE MET A 1 6.917 -19.429 -3.215 1.00 0.00 C ATOM 0 H1 MET A 1 7.011 -19.816 2.285 1.00 0.00 H new ATOM 0 H2 MET A 1 6.588 -18.428 3.167 1.00 0.00 H new ATOM 0 H3 MET A 1 5.460 -19.146 2.120 1.00 0.00 H new ATOM 0 HA MET A 1 8.044 -18.049 1.178 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.391 -18.793 -0.133 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.683 -17.961 -0.976 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.192 -19.875 -0.595 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.939 -20.703 0.308 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.702 -19.772 -4.227 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.338 -18.530 -3.006 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.980 -19.205 -3.126 1.00 0.00 H new ATOM 20 N GLN A 2 7.334 -15.692 0.960 1.00 0.00 N ATOM 21 CA GLN A 2 7.000 -14.275 1.034 1.00 0.00 C ATOM 22 C GLN A 2 6.953 -13.670 -0.365 1.00 0.00 C ATOM 23 O GLN A 2 7.590 -14.176 -1.289 1.00 0.00 O ATOM 24 CB GLN A 2 8.025 -13.535 1.893 1.00 0.00 C ATOM 25 CG GLN A 2 7.736 -12.049 2.041 1.00 0.00 C ATOM 26 CD GLN A 2 8.758 -11.311 2.899 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.649 -10.102 3.095 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.754 -12.028 3.418 1.00 0.00 N ATOM 0 H GLN A 2 8.282 -15.883 0.635 1.00 0.00 H new ATOM 0 HA GLN A 2 6.017 -14.172 1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.054 -13.991 2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.014 -13.662 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.707 -11.593 1.052 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.746 -11.922 2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.812 -13.029 3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.459 -11.575 4.000 1.00 0.00 H new ATOM 37 N TYR A 3 6.197 -12.590 -0.519 1.00 0.00 N ATOM 38 CA TYR A 3 6.073 -11.929 -1.812 1.00 0.00 C ATOM 39 C TYR A 3 6.218 -10.418 -1.669 1.00 0.00 C ATOM 40 O TYR A 3 5.856 -9.846 -0.642 1.00 0.00 O ATOM 41 CB TYR A 3 4.727 -12.270 -2.449 1.00 0.00 C ATOM 42 CG TYR A 3 4.528 -13.752 -2.670 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.367 -14.617 -1.596 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.506 -14.285 -3.952 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.188 -15.973 -1.794 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.327 -15.639 -4.158 1.00 0.00 C ATOM 47 CZ TYR A 3 4.171 -16.478 -3.076 1.00 0.00 C ATOM 48 OH TYR A 3 3.994 -17.828 -3.277 1.00 0.00 O ATOM 0 H TYR A 3 5.662 -12.154 0.233 1.00 0.00 H new ATOM 0 HA TYR A 3 6.875 -12.288 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.926 -11.894 -1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.644 -11.753 -3.405 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.382 -14.224 -0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.631 -13.630 -4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.062 -16.633 -0.949 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.309 -16.038 -5.161 1.00 0.00 H new ATOM 0 HH TYR A 3 4.006 -18.020 -4.238 1.00 0.00 H new ATOM 58 N LYS A 4 6.747 -9.778 -2.707 1.00 0.00 N ATOM 59 CA LYS A 4 6.932 -8.332 -2.690 1.00 0.00 C ATOM 60 C LYS A 4 5.931 -7.656 -3.614 1.00 0.00 C ATOM 61 O LYS A 4 6.006 -7.792 -4.832 1.00 0.00 O ATOM 62 CB LYS A 4 8.359 -7.969 -3.105 1.00 0.00 C ATOM 63 CG LYS A 4 8.620 -6.469 -3.123 1.00 0.00 C ATOM 64 CD LYS A 4 10.028 -6.131 -3.599 1.00 0.00 C ATOM 65 CE LYS A 4 11.093 -6.563 -2.597 1.00 0.00 C ATOM 66 NZ LYS A 4 11.257 -8.042 -2.550 1.00 0.00 N ATOM 0 H LYS A 4 7.053 -10.235 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 4 6.763 -7.978 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.061 -8.444 -2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.556 -8.377 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.893 -5.984 -3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.471 -6.065 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.213 -6.618 -4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.105 -5.057 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.045 -6.102 -2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.826 -6.198 -1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.268 -8.281 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.861 -8.407 -1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.757 -8.472 -3.354 1.00 0.00 H new ATOM 80 N VAL A 5 4.985 -6.934 -3.026 1.00 0.00 N ATOM 81 CA VAL A 5 3.967 -6.250 -3.805 1.00 0.00 C ATOM 82 C VAL A 5 4.360 -4.805 -4.086 1.00 0.00 C ATOM 83 O VAL A 5 4.817 -4.084 -3.202 1.00 0.00 O ATOM 84 CB VAL A 5 2.600 -6.277 -3.092 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.537 -5.590 -3.936 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.195 -7.707 -2.771 1.00 0.00 C ATOM 0 H VAL A 5 4.904 -6.809 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 5 3.883 -6.785 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 5 2.691 -5.729 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.581 -5.621 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.823 -4.552 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.444 -6.104 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.228 -7.707 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.124 -8.281 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.943 -8.159 -2.120 1.00 0.00 H new ATOM 96 N ILE A 6 4.169 -4.399 -5.331 1.00 0.00 N ATOM 97 CA ILE A 6 4.485 -3.049 -5.765 1.00 0.00 C ATOM 98 C ILE A 6 3.210 -2.233 -5.922 1.00 0.00 C ATOM 99 O ILE A 6 2.361 -2.540 -6.759 1.00 0.00 O ATOM 100 CB ILE A 6 5.265 -3.059 -7.097 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.638 -3.701 -6.894 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.408 -1.649 -7.656 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.449 -3.809 -8.166 1.00 0.00 C ATOM 0 H ILE A 6 3.791 -4.995 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 6 5.114 -2.592 -5.001 1.00 0.00 H new ATOM 0 HB ILE A 6 4.704 -3.649 -7.822 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.199 -3.117 -6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.505 -4.697 -6.472 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.961 -1.684 -8.594 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.419 -1.226 -7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.946 -1.027 -6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.410 -4.274 -7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.909 -4.418 -8.891 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.613 -2.814 -8.579 1.00 0.00 H new ATOM 115 N LEU A 7 3.088 -1.194 -5.112 1.00 0.00 N ATOM 116 CA LEU A 7 1.920 -0.329 -5.155 1.00 0.00 C ATOM 117 C LEU A 7 2.209 0.874 -6.048 1.00 0.00 C ATOM 118 O LEU A 7 2.641 1.926 -5.578 1.00 0.00 O ATOM 119 CB LEU A 7 1.549 0.110 -3.735 1.00 0.00 C ATOM 120 CG LEU A 7 1.666 -0.990 -2.681 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.144 -0.500 -1.341 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.920 -2.237 -3.133 1.00 0.00 C ATOM 0 H LEU A 7 3.785 -0.929 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 7 1.072 -0.871 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.191 0.942 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.525 0.484 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 7 2.718 -1.248 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.235 -1.296 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.726 0.363 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.097 -0.215 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.012 -3.012 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.133 -1.997 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.346 -2.596 -4.070 1.00 0.00 H new ATOM 134 N ASN A 8 2.000 0.688 -7.352 1.00 0.00 N ATOM 135 CA ASN A 8 2.269 1.729 -8.340 1.00 0.00 C ATOM 136 C ASN A 8 1.020 2.537 -8.684 1.00 0.00 C ATOM 137 O ASN A 8 0.129 2.050 -9.373 1.00 0.00 O ATOM 138 CB ASN A 8 2.823 1.081 -9.611 1.00 0.00 C ATOM 139 CG ASN A 8 3.269 2.093 -10.645 1.00 0.00 C ATOM 140 OD1 ASN A 8 2.512 2.984 -11.030 1.00 0.00 O ATOM 141 ND2 ASN A 8 4.502 1.944 -11.114 1.00 0.00 N ATOM 0 H ASN A 8 1.643 -0.181 -7.749 1.00 0.00 H new ATOM 0 HA ASN A 8 2.996 2.418 -7.910 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.666 0.442 -9.349 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.059 0.437 -10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.858 2.584 -11.824 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.093 1.190 -10.764 1.00 0.00 H new ATOM 148 N GLY A 9 0.962 3.777 -8.212 1.00 0.00 N ATOM 149 CA GLY A 9 -0.181 4.625 -8.499 1.00 0.00 C ATOM 150 C GLY A 9 0.191 5.842 -9.313 1.00 0.00 C ATOM 151 O GLY A 9 1.282 5.913 -9.879 1.00 0.00 O ATOM 0 H GLY A 9 1.684 4.210 -7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.932 4.047 -9.038 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.637 4.944 -7.562 1.00 0.00 H new ATOM 155 N LYS A 10 -0.719 6.803 -9.369 1.00 0.00 N ATOM 156 CA LYS A 10 -0.485 8.026 -10.118 1.00 0.00 C ATOM 157 C LYS A 10 0.414 8.974 -9.336 1.00 0.00 C ATOM 158 O LYS A 10 1.476 9.379 -9.811 1.00 0.00 O ATOM 159 CB LYS A 10 -1.810 8.717 -10.437 1.00 0.00 C ATOM 160 CG LYS A 10 -2.718 7.896 -11.334 1.00 0.00 C ATOM 161 CD LYS A 10 -2.242 7.888 -12.778 1.00 0.00 C ATOM 162 CE LYS A 10 -2.706 9.129 -13.524 1.00 0.00 C ATOM 163 NZ LYS A 10 -2.071 10.374 -13.009 1.00 0.00 N ATOM 0 H LYS A 10 -1.626 6.758 -8.904 1.00 0.00 H new ATOM 0 HA LYS A 10 0.013 7.761 -11.051 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.332 8.933 -9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.606 9.674 -10.918 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.764 6.872 -10.963 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.730 8.297 -11.289 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.154 7.833 -12.803 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.618 6.997 -13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.476 9.019 -14.584 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.789 9.216 -13.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.108 11.111 -13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.581 10.700 -12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.079 10.181 -12.762 1.00 0.00 H new ATOM 177 N THR A 11 -0.029 9.328 -8.135 1.00 0.00 N ATOM 178 CA THR A 11 0.706 10.232 -7.270 1.00 0.00 C ATOM 179 C THR A 11 1.350 9.484 -6.110 1.00 0.00 C ATOM 180 O THR A 11 1.917 10.095 -5.205 1.00 0.00 O ATOM 181 CB THR A 11 -0.241 11.296 -6.727 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.495 10.721 -6.398 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.493 12.438 -7.688 1.00 0.00 C ATOM 0 H THR A 11 -0.907 8.995 -7.737 1.00 0.00 H new ATOM 0 HA THR A 11 1.498 10.699 -7.856 1.00 0.00 H new ATOM 0 HB THR A 11 0.257 11.701 -5.846 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.214 11.331 -6.663 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.176 13.154 -7.231 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.450 12.933 -7.920 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.935 12.050 -8.606 1.00 0.00 H new ATOM 191 N LEU A 12 1.251 8.160 -6.135 1.00 0.00 N ATOM 192 CA LEU A 12 1.818 7.346 -5.076 1.00 0.00 C ATOM 193 C LEU A 12 2.533 6.127 -5.642 1.00 0.00 C ATOM 194 O LEU A 12 2.030 5.457 -6.544 1.00 0.00 O ATOM 195 CB LEU A 12 0.721 6.923 -4.096 1.00 0.00 C ATOM 196 CG LEU A 12 1.193 6.074 -2.923 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.399 6.719 -2.272 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.068 5.888 -1.916 1.00 0.00 C ATOM 0 H LEU A 12 0.786 7.633 -6.874 1.00 0.00 H new ATOM 0 HA LEU A 12 2.557 7.944 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.240 7.819 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.039 6.367 -4.644 1.00 0.00 H new ATOM 0 HG LEU A 12 1.483 5.090 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.731 6.106 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.205 6.803 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.130 7.712 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.421 5.279 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.251 6.861 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.773 5.390 -2.398 1.00 0.00 H new ATOM 210 N LYS A 13 3.711 5.847 -5.099 1.00 0.00 N ATOM 211 CA LYS A 13 4.511 4.708 -5.534 1.00 0.00 C ATOM 212 C LYS A 13 5.257 4.110 -4.346 1.00 0.00 C ATOM 213 O LYS A 13 5.670 4.833 -3.440 1.00 0.00 O ATOM 214 CB LYS A 13 5.501 5.138 -6.619 1.00 0.00 C ATOM 215 CG LYS A 13 4.834 5.734 -7.847 1.00 0.00 C ATOM 216 CD LYS A 13 5.857 6.182 -8.879 1.00 0.00 C ATOM 217 CE LYS A 13 6.718 5.020 -9.355 1.00 0.00 C ATOM 218 NZ LYS A 13 5.904 3.940 -9.976 1.00 0.00 N ATOM 0 H LYS A 13 4.136 6.396 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 13 3.847 3.951 -5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.192 5.869 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.095 4.275 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.166 4.997 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.219 6.584 -7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.344 6.628 -9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.494 6.955 -8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.450 5.383 -10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.277 4.614 -8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.528 3.288 -10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.396 3.418 -9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.218 4.358 -10.636 1.00 0.00 H new ATOM 232 N GLY A 14 5.430 2.793 -4.349 1.00 0.00 N ATOM 233 CA GLY A 14 6.127 2.152 -3.252 1.00 0.00 C ATOM 234 C GLY A 14 6.252 0.654 -3.416 1.00 0.00 C ATOM 235 O GLY A 14 5.977 0.108 -4.484 1.00 0.00 O ATOM 0 H GLY A 14 5.104 2.164 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.123 2.585 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.601 2.366 -2.322 1.00 0.00 H new ATOM 239 N GLU A 15 6.669 -0.008 -2.343 1.00 0.00 N ATOM 240 CA GLU A 15 6.835 -1.454 -2.346 1.00 0.00 C ATOM 241 C GLU A 15 6.475 -2.037 -0.983 1.00 0.00 C ATOM 242 O GLU A 15 6.833 -1.485 0.057 1.00 0.00 O ATOM 243 CB GLU A 15 8.271 -1.822 -2.720 1.00 0.00 C ATOM 244 CG GLU A 15 8.682 -1.340 -4.102 1.00 0.00 C ATOM 245 CD GLU A 15 10.100 -1.736 -4.462 1.00 0.00 C ATOM 246 OE1 GLU A 15 11.033 -1.322 -3.742 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.277 -2.456 -5.465 1.00 0.00 O ATOM 0 H GLU A 15 6.899 0.438 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 15 6.161 -1.878 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.950 -1.399 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.384 -2.905 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.996 -1.749 -4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.590 -0.255 -4.146 1.00 0.00 H new ATOM 254 N THR A 16 5.761 -3.153 -1.002 1.00 0.00 N ATOM 255 CA THR A 16 5.338 -3.822 0.220 1.00 0.00 C ATOM 256 C THR A 16 5.593 -5.327 0.134 1.00 0.00 C ATOM 257 O THR A 16 5.910 -5.847 -0.933 1.00 0.00 O ATOM 258 CB THR A 16 3.859 -3.533 0.495 1.00 0.00 C ATOM 259 OG1 THR A 16 3.317 -4.492 1.367 1.00 0.00 O ATOM 260 CG2 THR A 16 3.000 -3.510 -0.751 1.00 0.00 C ATOM 0 H THR A 16 5.460 -3.618 -1.859 1.00 0.00 H new ATOM 0 HA THR A 16 5.927 -3.432 1.050 1.00 0.00 H new ATOM 0 HB THR A 16 3.845 -2.538 0.939 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.447 -4.182 1.695 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.966 -3.300 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.361 -2.735 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.053 -4.479 -1.248 1.00 0.00 H new ATOM 268 N THR A 17 5.475 -6.020 1.266 1.00 0.00 N ATOM 269 CA THR A 17 5.718 -7.461 1.295 1.00 0.00 C ATOM 270 C THR A 17 4.778 -8.205 2.245 1.00 0.00 C ATOM 271 O THR A 17 4.809 -8.002 3.459 1.00 0.00 O ATOM 272 CB THR A 17 7.163 -7.738 1.696 1.00 0.00 C ATOM 273 OG1 THR A 17 7.456 -7.154 2.952 1.00 0.00 O ATOM 274 CG2 THR A 17 8.173 -7.218 0.698 1.00 0.00 C ATOM 0 H THR A 17 5.216 -5.613 2.165 1.00 0.00 H new ATOM 0 HA THR A 17 5.524 -7.831 0.288 1.00 0.00 H new ATOM 0 HB THR A 17 7.247 -8.824 1.737 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.708 -7.307 3.567 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.180 -7.449 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.005 -7.691 -0.269 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.063 -6.138 0.598 1.00 0.00 H new ATOM 282 N THR A 18 3.970 -9.093 1.674 1.00 0.00 N ATOM 283 CA THR A 18 3.038 -9.913 2.446 1.00 0.00 C ATOM 284 C THR A 18 3.570 -11.339 2.553 1.00 0.00 C ATOM 285 O THR A 18 4.122 -11.876 1.593 1.00 0.00 O ATOM 286 CB THR A 18 1.659 -9.923 1.778 1.00 0.00 C ATOM 287 OG1 THR A 18 0.726 -10.620 2.582 1.00 0.00 O ATOM 288 CG2 THR A 18 1.655 -10.564 0.405 1.00 0.00 C ATOM 0 H THR A 18 3.941 -9.265 0.669 1.00 0.00 H new ATOM 0 HA THR A 18 2.942 -9.488 3.445 1.00 0.00 H new ATOM 0 HB THR A 18 1.384 -8.874 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.950 -10.493 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.646 -10.535 -0.007 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.331 -10.019 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.985 -11.600 0.486 1.00 0.00 H new ATOM 296 N GLU A 19 3.393 -11.956 3.714 1.00 0.00 N ATOM 297 CA GLU A 19 3.846 -13.325 3.929 1.00 0.00 C ATOM 298 C GLU A 19 2.670 -14.282 3.773 1.00 0.00 C ATOM 299 O GLU A 19 1.738 -14.253 4.575 1.00 0.00 O ATOM 300 CB GLU A 19 4.456 -13.464 5.327 1.00 0.00 C ATOM 301 CG GLU A 19 5.045 -14.837 5.606 1.00 0.00 C ATOM 302 CD GLU A 19 6.283 -15.118 4.780 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.190 -15.076 3.536 1.00 0.00 O ATOM 304 OE2 GLU A 19 7.349 -15.381 5.377 1.00 0.00 O ATOM 0 H GLU A 19 2.939 -11.530 4.522 1.00 0.00 H new ATOM 0 HA GLU A 19 4.609 -13.571 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.236 -12.713 5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.689 -13.250 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.294 -14.913 6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.294 -15.599 5.399 1.00 0.00 H new ATOM 311 N ALA A 20 2.695 -15.116 2.734 1.00 0.00 N ATOM 312 CA ALA A 20 1.596 -16.047 2.501 1.00 0.00 C ATOM 313 C ALA A 20 2.073 -17.353 1.863 1.00 0.00 C ATOM 314 O ALA A 20 3.067 -17.382 1.139 1.00 0.00 O ATOM 315 CB ALA A 20 0.538 -15.389 1.630 1.00 0.00 C ATOM 0 H ALA A 20 3.451 -15.165 2.052 1.00 0.00 H new ATOM 0 HA ALA A 20 1.165 -16.300 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.280 -16.089 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.156 -14.500 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.978 -15.106 0.674 1.00 0.00 H new ATOM 321 N VAL A 21 1.355 -18.428 2.169 1.00 0.00 N ATOM 322 CA VAL A 21 1.687 -19.761 1.668 1.00 0.00 C ATOM 323 C VAL A 21 1.887 -19.772 0.150 1.00 0.00 C ATOM 324 O VAL A 21 2.663 -20.571 -0.372 1.00 0.00 O ATOM 325 CB VAL A 21 0.586 -20.775 2.026 1.00 0.00 C ATOM 326 CG1 VAL A 21 1.023 -22.188 1.675 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.218 -20.667 3.498 1.00 0.00 C ATOM 0 H VAL A 21 0.530 -18.403 2.768 1.00 0.00 H new ATOM 0 HA VAL A 21 2.624 -20.044 2.148 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.302 -20.542 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.230 -22.889 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.226 -22.251 0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.926 -22.438 2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.562 -21.392 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.098 -20.870 4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.146 -19.661 3.709 1.00 0.00 H new ATOM 337 N ASP A 22 1.194 -18.881 -0.550 1.00 0.00 N ATOM 338 CA ASP A 22 1.318 -18.804 -2.004 1.00 0.00 C ATOM 339 C ASP A 22 0.969 -17.414 -2.521 1.00 0.00 C ATOM 340 O ASP A 22 0.502 -16.558 -1.769 1.00 0.00 O ATOM 341 CB ASP A 22 0.437 -19.857 -2.677 1.00 0.00 C ATOM 342 CG ASP A 22 -0.990 -19.832 -2.172 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.199 -20.125 -0.977 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.896 -19.514 -2.969 1.00 0.00 O ATOM 0 H ASP A 22 0.546 -18.207 -0.141 1.00 0.00 H new ATOM 0 HA ASP A 22 2.359 -19.004 -2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.440 -19.693 -3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.862 -20.846 -2.504 1.00 0.00 H new ATOM 349 N ALA A 23 1.209 -17.195 -3.811 1.00 0.00 N ATOM 350 CA ALA A 23 0.931 -15.909 -4.435 1.00 0.00 C ATOM 351 C ALA A 23 -0.529 -15.521 -4.272 1.00 0.00 C ATOM 352 O ALA A 23 -0.843 -14.365 -3.993 1.00 0.00 O ATOM 353 CB ALA A 23 1.314 -15.940 -5.906 1.00 0.00 C ATOM 0 H ALA A 23 1.596 -17.895 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 23 1.535 -15.154 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.100 -14.972 -6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.378 -16.158 -6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.739 -16.713 -6.415 1.00 0.00 H new ATOM 359 N ALA A 24 -1.421 -16.489 -4.435 1.00 0.00 N ATOM 360 CA ALA A 24 -2.845 -16.228 -4.289 1.00 0.00 C ATOM 361 C ALA A 24 -3.154 -15.811 -2.863 1.00 0.00 C ATOM 362 O ALA A 24 -3.715 -14.740 -2.632 1.00 0.00 O ATOM 363 CB ALA A 24 -3.663 -17.450 -4.685 1.00 0.00 C ATOM 0 H ALA A 24 -1.186 -17.454 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.120 -15.412 -4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.724 -17.231 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.458 -17.704 -5.725 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.393 -18.291 -4.046 1.00 0.00 H new ATOM 369 N THR A 25 -2.754 -16.637 -1.897 1.00 0.00 N ATOM 370 CA THR A 25 -2.969 -16.307 -0.501 1.00 0.00 C ATOM 371 C THR A 25 -2.392 -14.929 -0.228 1.00 0.00 C ATOM 372 O THR A 25 -3.030 -14.087 0.402 1.00 0.00 O ATOM 373 CB THR A 25 -2.321 -17.354 0.405 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.964 -17.548 0.065 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.012 -18.699 0.358 1.00 0.00 C ATOM 0 H THR A 25 -2.285 -17.528 -2.059 1.00 0.00 H new ATOM 0 HA THR A 25 -4.038 -16.301 -0.288 1.00 0.00 H new ATOM 0 HB THR A 25 -2.415 -16.955 1.415 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.779 -17.123 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.501 -19.394 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.048 -18.587 0.677 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.985 -19.086 -0.661 1.00 0.00 H new ATOM 383 N ALA A 26 -1.192 -14.694 -0.749 1.00 0.00 N ATOM 384 CA ALA A 26 -0.543 -13.404 -0.601 1.00 0.00 C ATOM 385 C ALA A 26 -1.416 -12.325 -1.225 1.00 0.00 C ATOM 386 O ALA A 26 -1.727 -11.321 -0.587 1.00 0.00 O ATOM 387 CB ALA A 26 0.835 -13.420 -1.249 1.00 0.00 C ATOM 0 H ALA A 26 -0.653 -15.381 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.412 -13.189 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.306 -12.444 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.452 -14.182 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.735 -13.645 -2.311 1.00 0.00 H new ATOM 393 N GLU A 27 -1.822 -12.546 -2.478 1.00 0.00 N ATOM 394 CA GLU A 27 -2.671 -11.596 -3.180 1.00 0.00 C ATOM 395 C GLU A 27 -3.929 -11.307 -2.376 1.00 0.00 C ATOM 396 O GLU A 27 -4.315 -10.152 -2.206 1.00 0.00 O ATOM 397 CB GLU A 27 -3.062 -12.132 -4.555 1.00 0.00 C ATOM 398 CG GLU A 27 -3.862 -11.142 -5.385 1.00 0.00 C ATOM 399 CD GLU A 27 -4.243 -11.692 -6.746 1.00 0.00 C ATOM 400 OE1 GLU A 27 -3.880 -12.851 -7.042 1.00 0.00 O ATOM 401 OE2 GLU A 27 -4.904 -10.964 -7.515 1.00 0.00 O ATOM 0 H GLU A 27 -1.574 -13.373 -3.021 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.105 -10.673 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.159 -12.405 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.646 -13.044 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.767 -10.867 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.280 -10.230 -5.516 1.00 0.00 H new ATOM 408 N LYS A 28 -4.555 -12.369 -1.867 1.00 0.00 N ATOM 409 CA LYS A 28 -5.764 -12.234 -1.066 1.00 0.00 C ATOM 410 C LYS A 28 -5.464 -11.471 0.212 1.00 0.00 C ATOM 411 O LYS A 28 -6.179 -10.539 0.576 1.00 0.00 O ATOM 412 CB LYS A 28 -6.343 -13.609 -0.732 1.00 0.00 C ATOM 413 CG LYS A 28 -6.778 -14.397 -1.956 1.00 0.00 C ATOM 414 CD LYS A 28 -7.839 -13.649 -2.747 1.00 0.00 C ATOM 415 CE LYS A 28 -9.101 -13.441 -1.926 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.696 -14.731 -1.478 1.00 0.00 N ATOM 0 H LYS A 28 -4.242 -13.331 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.501 -11.678 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.597 -14.185 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.198 -13.483 -0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.915 -14.589 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.168 -15.367 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.445 -12.683 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.080 -14.206 -3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.870 -12.827 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.832 -12.891 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.651 -14.561 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.753 -15.386 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.100 -15.148 -0.735 1.00 0.00 H new ATOM 430 N VAL A 29 -4.387 -11.862 0.885 1.00 0.00 N ATOM 431 CA VAL A 29 -3.986 -11.197 2.116 1.00 0.00 C ATOM 432 C VAL A 29 -3.853 -9.704 1.876 1.00 0.00 C ATOM 433 O VAL A 29 -4.303 -8.889 2.683 1.00 0.00 O ATOM 434 CB VAL A 29 -2.652 -11.755 2.648 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.199 -10.985 3.878 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.782 -13.239 2.963 1.00 0.00 C ATOM 0 H VAL A 29 -3.781 -12.631 0.600 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.756 -11.384 2.864 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.896 -11.632 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.255 -11.396 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.063 -9.935 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.953 -11.072 4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.830 -13.616 3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.553 -13.384 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.056 -13.781 2.058 1.00 0.00 H new ATOM 446 N VAL A 30 -3.260 -9.351 0.745 1.00 0.00 N ATOM 447 CA VAL A 30 -3.103 -7.956 0.385 1.00 0.00 C ATOM 448 C VAL A 30 -4.479 -7.323 0.236 1.00 0.00 C ATOM 449 O VAL A 30 -4.727 -6.228 0.736 1.00 0.00 O ATOM 450 CB VAL A 30 -2.314 -7.795 -0.924 1.00 0.00 C ATOM 451 CG1 VAL A 30 -2.059 -6.325 -1.218 1.00 0.00 C ATOM 452 CG2 VAL A 30 -1.008 -8.570 -0.856 1.00 0.00 C ATOM 0 H VAL A 30 -2.882 -10.011 0.065 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.541 -7.458 1.175 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.910 -8.204 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.499 -6.232 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.011 -5.803 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.484 -5.885 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.462 -8.445 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.404 -8.194 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.220 -9.627 -0.698 1.00 0.00 H new ATOM 462 N LYS A 31 -5.389 -8.033 -0.445 1.00 0.00 N ATOM 463 CA LYS A 31 -6.751 -7.537 -0.632 1.00 0.00 C ATOM 464 C LYS A 31 -7.294 -7.027 0.695 1.00 0.00 C ATOM 465 O LYS A 31 -7.765 -5.896 0.796 1.00 0.00 O ATOM 466 CB LYS A 31 -7.687 -8.632 -1.160 1.00 0.00 C ATOM 467 CG LYS A 31 -7.251 -9.277 -2.465 1.00 0.00 C ATOM 468 CD LYS A 31 -6.988 -8.254 -3.555 1.00 0.00 C ATOM 469 CE LYS A 31 -6.997 -8.896 -4.933 1.00 0.00 C ATOM 470 NZ LYS A 31 -8.294 -9.565 -5.229 1.00 0.00 N ATOM 0 H LYS A 31 -5.206 -8.942 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.712 -6.733 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.777 -9.409 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.680 -8.204 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.348 -9.862 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.022 -9.971 -2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.745 -7.471 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.024 -7.775 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.801 -8.135 -5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.190 -9.626 -4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.457 -9.567 -6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.267 -10.545 -4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.065 -9.052 -4.757 1.00 0.00 H new ATOM 484 N GLN A 32 -7.204 -7.874 1.716 1.00 0.00 N ATOM 485 CA GLN A 32 -7.669 -7.515 3.049 1.00 0.00 C ATOM 486 C GLN A 32 -6.913 -6.291 3.543 1.00 0.00 C ATOM 487 O GLN A 32 -7.481 -5.409 4.188 1.00 0.00 O ATOM 488 CB GLN A 32 -7.472 -8.682 4.020 1.00 0.00 C ATOM 489 CG GLN A 32 -8.016 -8.412 5.415 1.00 0.00 C ATOM 490 CD GLN A 32 -9.528 -8.228 5.462 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.218 -8.500 4.355 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.079 -7.860 6.501 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.813 -8.813 1.644 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.733 -7.285 2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.960 -9.568 3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.408 -8.909 4.091 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.740 -9.239 6.069 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.538 -7.517 5.814 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.521 -7.660 7.331 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.093 -7.756 6.531 1.00 0.00 H new ATOM 501 N PHE A 33 -5.626 -6.243 3.220 1.00 0.00 N ATOM 502 CA PHE A 33 -4.775 -5.130 3.610 1.00 0.00 C ATOM 503 C PHE A 33 -5.392 -3.806 3.151 1.00 0.00 C ATOM 504 O PHE A 33 -5.757 -2.960 3.966 1.00 0.00 O ATOM 505 CB PHE A 33 -3.377 -5.315 3.004 1.00 0.00 C ATOM 506 CG PHE A 33 -2.357 -4.357 3.536 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.895 -4.485 4.834 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.869 -3.324 2.746 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.969 -3.599 5.338 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.938 -2.438 3.253 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.491 -2.579 4.551 1.00 0.00 C ATOM 0 H PHE A 33 -5.148 -6.968 2.685 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.688 -5.106 4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.040 -6.334 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.442 -5.199 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.264 -5.286 5.457 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.219 -3.213 1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.618 -3.706 6.354 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.561 -1.637 2.635 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.236 -1.886 4.949 1.00 0.00 H new ATOM 521 N PHE A 34 -5.519 -3.654 1.838 1.00 0.00 N ATOM 522 CA PHE A 34 -6.106 -2.450 1.248 1.00 0.00 C ATOM 523 C PHE A 34 -7.592 -2.365 1.567 1.00 0.00 C ATOM 524 O PHE A 34 -8.115 -1.291 1.863 1.00 0.00 O ATOM 525 CB PHE A 34 -5.842 -2.431 -0.255 1.00 0.00 C ATOM 526 CG PHE A 34 -4.371 -2.421 -0.543 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.540 -1.541 0.131 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.814 -3.304 -1.451 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.180 -1.544 -0.090 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.452 -3.306 -1.684 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.636 -2.424 -0.999 1.00 0.00 C ATOM 0 H PHE A 34 -5.222 -4.352 1.156 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.636 -1.568 1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.301 -3.304 -0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.309 -1.552 -0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.964 -0.844 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.449 -3.998 -1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.542 -0.858 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.026 -3.994 -2.399 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.571 -2.425 -1.177 1.00 0.00 H new ATOM 541 N ASN A 35 -8.260 -3.509 1.533 1.00 0.00 N ATOM 542 CA ASN A 35 -9.681 -3.581 1.847 1.00 0.00 C ATOM 543 C ASN A 35 -9.961 -2.895 3.181 1.00 0.00 C ATOM 544 O ASN A 35 -10.973 -2.213 3.351 1.00 0.00 O ATOM 545 CB ASN A 35 -10.105 -5.045 1.932 1.00 0.00 C ATOM 546 CG ASN A 35 -11.580 -5.215 2.213 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.136 -4.574 3.105 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.212 -6.105 1.466 1.00 0.00 N ATOM 0 H ASN A 35 -7.838 -4.405 1.290 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.245 -3.076 1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.859 -5.544 0.995 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.532 -5.539 2.716 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.204 -6.285 1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.707 -6.611 0.739 1.00 0.00 H new ATOM 555 N ASP A 36 -9.046 -3.095 4.123 1.00 0.00 N ATOM 556 CA ASP A 36 -9.164 -2.514 5.457 1.00 0.00 C ATOM 557 C ASP A 36 -8.417 -1.186 5.584 1.00 0.00 C ATOM 558 O ASP A 36 -8.744 -0.372 6.445 1.00 0.00 O ATOM 559 CB ASP A 36 -8.665 -3.498 6.515 1.00 0.00 C ATOM 560 CG ASP A 36 -9.486 -4.772 6.556 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.561 -5.466 5.519 1.00 0.00 O ATOM 562 OD2 ASP A 36 -10.055 -5.077 7.625 1.00 0.00 O ATOM 0 H ASP A 36 -8.208 -3.660 3.986 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.222 -2.309 5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.623 -3.747 6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.694 -3.019 7.494 1.00 0.00 H new ATOM 567 N ASN A 37 -7.423 -0.955 4.726 1.00 0.00 N ATOM 568 CA ASN A 37 -6.676 0.300 4.779 1.00 0.00 C ATOM 569 C ASN A 37 -7.461 1.398 4.080 1.00 0.00 C ATOM 570 O ASN A 37 -7.593 2.507 4.597 1.00 0.00 O ATOM 571 CB ASN A 37 -5.293 0.167 4.125 1.00 0.00 C ATOM 572 CG ASN A 37 -4.383 -0.800 4.855 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.322 -0.805 6.085 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.637 -1.599 4.098 1.00 0.00 N ATOM 0 H ASN A 37 -7.121 -1.606 4.001 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.531 0.554 5.829 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.415 -0.166 3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.818 1.148 4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.982 -2.249 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.719 -1.562 3.082 1.00 0.00 H new ATOM 581 N GLY A 38 -7.974 1.054 2.899 1.00 0.00 N ATOM 582 CA GLY A 38 -8.760 1.966 2.082 1.00 0.00 C ATOM 583 C GLY A 38 -9.070 3.311 2.718 1.00 0.00 C ATOM 584 O GLY A 38 -8.175 4.130 2.932 1.00 0.00 O ATOM 0 H GLY A 38 -7.853 0.130 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.227 2.140 1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.701 1.479 1.827 1.00 0.00 H new ATOM 588 N VAL A 39 -10.355 3.564 2.939 1.00 0.00 N ATOM 589 CA VAL A 39 -10.803 4.849 3.467 1.00 0.00 C ATOM 590 C VAL A 39 -11.332 4.790 4.899 1.00 0.00 C ATOM 591 O VAL A 39 -11.815 5.799 5.415 1.00 0.00 O ATOM 592 CB VAL A 39 -11.929 5.404 2.587 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.290 6.824 2.997 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.554 5.346 1.114 1.00 0.00 C ATOM 0 H VAL A 39 -11.106 2.897 2.761 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.918 5.486 3.465 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.807 4.775 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.091 7.195 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.622 6.830 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.416 7.466 2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.372 5.746 0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.655 5.939 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.366 4.311 0.827 1.00 0.00 H new ATOM 604 N ASP A 40 -11.258 3.642 5.555 1.00 0.00 N ATOM 605 CA ASP A 40 -11.756 3.538 6.927 1.00 0.00 C ATOM 606 C ASP A 40 -10.691 3.001 7.887 1.00 0.00 C ATOM 607 O ASP A 40 -11.005 2.611 9.010 1.00 0.00 O ATOM 608 CB ASP A 40 -12.992 2.638 6.968 1.00 0.00 C ATOM 609 CG ASP A 40 -14.125 3.173 6.114 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.926 3.321 4.889 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.210 3.447 6.668 1.00 0.00 O ATOM 0 H ASP A 40 -10.866 2.781 5.173 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.020 4.543 7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.722 1.639 6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.333 2.540 7.999 1.00 0.00 H new ATOM 616 N GLY A 41 -9.438 2.975 7.443 1.00 0.00 N ATOM 617 CA GLY A 41 -8.367 2.473 8.290 1.00 0.00 C ATOM 618 C GLY A 41 -7.880 3.497 9.302 1.00 0.00 C ATOM 619 O GLY A 41 -8.247 4.670 9.239 1.00 0.00 O ATOM 0 H GLY A 41 -9.145 3.290 6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.715 1.585 8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.531 2.164 7.663 1.00 0.00 H new ATOM 623 N GLU A 42 -7.035 3.045 10.228 1.00 0.00 N ATOM 624 CA GLU A 42 -6.470 3.918 11.256 1.00 0.00 C ATOM 625 C GLU A 42 -5.079 4.386 10.837 1.00 0.00 C ATOM 626 O GLU A 42 -4.123 3.609 10.853 1.00 0.00 O ATOM 627 CB GLU A 42 -6.389 3.191 12.602 1.00 0.00 C ATOM 628 CG GLU A 42 -7.733 2.971 13.285 1.00 0.00 C ATOM 629 CD GLU A 42 -8.653 2.036 12.519 1.00 0.00 C ATOM 630 OE1 GLU A 42 -9.129 2.424 11.433 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.897 0.913 13.008 1.00 0.00 O ATOM 0 H GLU A 42 -6.726 2.075 10.287 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.124 4.783 11.368 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.911 2.223 12.449 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.745 3.763 13.271 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.563 2.565 14.282 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.229 3.933 13.413 1.00 0.00 H new ATOM 638 N TRP A 43 -4.977 5.648 10.428 1.00 0.00 N ATOM 639 CA TRP A 43 -3.707 6.200 9.965 1.00 0.00 C ATOM 640 C TRP A 43 -3.044 7.106 11.000 1.00 0.00 C ATOM 641 O TRP A 43 -3.629 8.097 11.439 1.00 0.00 O ATOM 642 CB TRP A 43 -3.927 7.014 8.691 1.00 0.00 C ATOM 643 CG TRP A 43 -4.526 6.247 7.552 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.449 5.238 7.614 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.244 6.447 6.164 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.753 4.801 6.346 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.024 5.528 5.440 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.401 7.317 5.465 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.987 5.458 4.049 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.365 7.245 4.088 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.155 6.321 3.392 1.00 0.00 C ATOM 0 H TRP A 43 -5.756 6.306 10.408 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.049 5.351 9.782 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.576 7.858 8.923 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.970 7.426 8.370 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.876 4.843 8.524 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.413 4.058 6.117 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.789 8.033 5.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.594 4.747 3.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.717 7.912 3.538 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.106 6.290 2.314 1.00 0.00 H new ATOM 662 N THR A 44 -1.804 6.783 11.360 1.00 0.00 N ATOM 663 CA THR A 44 -1.039 7.589 12.305 1.00 0.00 C ATOM 664 C THR A 44 0.127 8.256 11.575 1.00 0.00 C ATOM 665 O THR A 44 0.769 7.635 10.730 1.00 0.00 O ATOM 666 CB THR A 44 -0.525 6.726 13.459 1.00 0.00 C ATOM 667 OG1 THR A 44 0.259 5.654 12.971 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.629 6.135 14.307 1.00 0.00 C ATOM 0 H THR A 44 -1.307 5.965 11.009 1.00 0.00 H new ATOM 0 HA THR A 44 -1.688 8.358 12.724 1.00 0.00 H new ATOM 0 HB THR A 44 0.065 7.400 14.080 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.145 5.986 12.716 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.193 5.535 15.106 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.225 6.938 14.740 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.266 5.505 13.687 1.00 0.00 H new ATOM 676 N TYR A 45 0.386 9.524 11.884 1.00 0.00 N ATOM 677 CA TYR A 45 1.462 10.264 11.225 1.00 0.00 C ATOM 678 C TYR A 45 2.607 10.575 12.187 1.00 0.00 C ATOM 679 O TYR A 45 2.387 10.832 13.370 1.00 0.00 O ATOM 680 CB TYR A 45 0.905 11.560 10.628 1.00 0.00 C ATOM 681 CG TYR A 45 1.904 12.348 9.811 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.846 11.707 9.015 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.901 13.736 9.833 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.757 12.428 8.266 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.809 14.465 9.087 1.00 0.00 C ATOM 686 CZ TYR A 45 3.734 13.806 8.306 1.00 0.00 C ATOM 687 OH TYR A 45 4.641 14.526 7.562 1.00 0.00 O ATOM 0 H TYR A 45 -0.130 10.059 12.582 1.00 0.00 H new ATOM 0 HA TYR A 45 1.865 9.637 10.429 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.049 11.318 9.998 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.537 12.191 11.437 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.867 10.628 8.981 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.177 14.256 10.443 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.483 11.915 7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.793 15.544 9.116 1.00 0.00 H new ATOM 0 HH TYR A 45 4.372 14.517 6.620 1.00 0.00 H new ATOM 697 N ASP A 46 3.833 10.562 11.662 1.00 0.00 N ATOM 698 CA ASP A 46 5.020 10.851 12.460 1.00 0.00 C ATOM 699 C ASP A 46 5.812 12.009 11.854 1.00 0.00 C ATOM 700 O ASP A 46 6.776 11.796 11.118 1.00 0.00 O ATOM 701 CB ASP A 46 5.906 9.607 12.564 1.00 0.00 C ATOM 702 CG ASP A 46 7.147 9.844 13.404 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.316 10.973 13.910 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.952 8.900 13.553 1.00 0.00 O ATOM 0 H ASP A 46 4.028 10.353 10.683 1.00 0.00 H new ATOM 0 HA ASP A 46 4.696 11.140 13.460 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.329 8.790 12.997 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.203 9.292 11.564 1.00 0.00 H new ATOM 709 N ASP A 47 5.393 13.234 12.161 1.00 0.00 N ATOM 710 CA ASP A 47 6.052 14.433 11.644 1.00 0.00 C ATOM 711 C ASP A 47 7.575 14.338 11.751 1.00 0.00 C ATOM 712 O ASP A 47 8.299 14.863 10.905 1.00 0.00 O ATOM 713 CB ASP A 47 5.565 15.669 12.406 1.00 0.00 C ATOM 714 CG ASP A 47 4.059 15.836 12.344 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.392 14.986 11.718 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.546 16.817 12.922 1.00 0.00 O ATOM 0 H ASP A 47 4.596 13.424 12.768 1.00 0.00 H new ATOM 0 HA ASP A 47 5.792 14.519 10.589 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.876 15.595 13.448 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.043 16.557 11.993 1.00 0.00 H new ATOM 721 N ALA A 48 8.053 13.692 12.809 1.00 0.00 N ATOM 722 CA ALA A 48 9.489 13.553 13.046 1.00 0.00 C ATOM 723 C ALA A 48 10.234 13.053 11.810 1.00 0.00 C ATOM 724 O ALA A 48 11.376 13.445 11.568 1.00 0.00 O ATOM 725 CB ALA A 48 9.735 12.621 14.223 1.00 0.00 C ATOM 0 H ALA A 48 7.466 13.254 13.519 1.00 0.00 H new ATOM 0 HA ALA A 48 9.879 14.544 13.278 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.807 12.524 14.392 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.263 13.030 15.116 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.311 11.641 14.005 1.00 0.00 H new ATOM 731 N THR A 49 9.592 12.193 11.032 1.00 0.00 N ATOM 732 CA THR A 49 10.216 11.651 9.827 1.00 0.00 C ATOM 733 C THR A 49 9.319 11.821 8.604 1.00 0.00 C ATOM 734 O THR A 49 9.525 11.167 7.581 1.00 0.00 O ATOM 735 CB THR A 49 10.549 10.172 10.022 1.00 0.00 C ATOM 736 OG1 THR A 49 9.379 9.426 10.303 1.00 0.00 O ATOM 737 CG2 THR A 49 11.533 9.925 11.145 1.00 0.00 C ATOM 0 H THR A 49 8.646 11.856 11.209 1.00 0.00 H new ATOM 0 HA THR A 49 11.135 12.211 9.653 1.00 0.00 H new ATOM 0 HB THR A 49 11.004 9.852 9.084 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.614 8.482 10.423 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.727 8.856 11.231 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.466 10.447 10.933 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.116 10.294 12.082 1.00 0.00 H new ATOM 745 N LYS A 50 8.320 12.696 8.710 1.00 0.00 N ATOM 746 CA LYS A 50 7.394 12.931 7.603 1.00 0.00 C ATOM 747 C LYS A 50 6.893 11.608 7.033 1.00 0.00 C ATOM 748 O LYS A 50 6.719 11.464 5.821 1.00 0.00 O ATOM 749 CB LYS A 50 8.070 13.750 6.504 1.00 0.00 C ATOM 750 CG LYS A 50 8.496 15.134 6.955 1.00 0.00 C ATOM 751 CD LYS A 50 8.117 16.188 5.928 1.00 0.00 C ATOM 752 CE LYS A 50 8.561 17.577 6.357 1.00 0.00 C ATOM 753 NZ LYS A 50 10.038 17.659 6.535 1.00 0.00 N ATOM 0 H LYS A 50 8.132 13.251 9.545 1.00 0.00 H new ATOM 0 HA LYS A 50 6.542 13.492 7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.945 13.208 6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.386 13.846 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.027 15.368 7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.574 15.151 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.571 15.941 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.037 16.181 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.244 18.306 5.611 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.068 17.843 7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.326 18.657 6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.310 17.169 7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.511 17.209 5.726 1.00 0.00 H new ATOM 767 N THR A 51 6.682 10.638 7.918 1.00 0.00 N ATOM 768 CA THR A 51 6.220 9.319 7.512 1.00 0.00 C ATOM 769 C THR A 51 4.919 8.947 8.218 1.00 0.00 C ATOM 770 O THR A 51 4.751 9.199 9.411 1.00 0.00 O ATOM 771 CB THR A 51 7.294 8.273 7.814 1.00 0.00 C ATOM 772 OG1 THR A 51 8.492 8.569 7.119 1.00 0.00 O ATOM 773 CG2 THR A 51 6.882 6.865 7.440 1.00 0.00 C ATOM 0 H THR A 51 6.825 10.743 8.922 1.00 0.00 H new ATOM 0 HA THR A 51 6.029 9.343 6.439 1.00 0.00 H new ATOM 0 HB THR A 51 7.442 8.316 8.893 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.812 9.457 7.382 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.690 6.174 7.681 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.988 6.587 7.998 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.671 6.819 6.372 1.00 0.00 H new ATOM 781 N PHE A 52 4.008 8.338 7.468 1.00 0.00 N ATOM 782 CA PHE A 52 2.721 7.916 8.008 1.00 0.00 C ATOM 783 C PHE A 52 2.691 6.397 8.154 1.00 0.00 C ATOM 784 O PHE A 52 3.251 5.686 7.331 1.00 0.00 O ATOM 785 CB PHE A 52 1.580 8.355 7.081 1.00 0.00 C ATOM 786 CG PHE A 52 1.615 9.807 6.689 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.668 10.315 5.944 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.583 10.660 7.050 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.695 11.645 5.572 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.604 11.992 6.678 1.00 0.00 C ATOM 791 CZ PHE A 52 1.662 12.484 5.938 1.00 0.00 C ATOM 0 H PHE A 52 4.138 8.125 6.479 1.00 0.00 H new ATOM 0 HA PHE A 52 2.588 8.382 8.984 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.610 7.747 6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.630 8.148 7.573 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.477 9.663 5.651 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.246 10.280 7.628 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.524 12.028 4.995 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.205 12.647 6.966 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.681 13.524 5.646 1.00 0.00 H new ATOM 801 N THR A 53 2.021 5.899 9.186 1.00 0.00 N ATOM 802 CA THR A 53 1.914 4.456 9.392 1.00 0.00 C ATOM 803 C THR A 53 0.466 3.999 9.310 1.00 0.00 C ATOM 804 O THR A 53 -0.390 4.457 10.066 1.00 0.00 O ATOM 805 CB THR A 53 2.530 4.035 10.729 1.00 0.00 C ATOM 806 OG1 THR A 53 2.228 4.974 11.743 1.00 0.00 O ATOM 807 CG2 THR A 53 4.031 3.853 10.676 1.00 0.00 C ATOM 0 H THR A 53 1.547 6.466 9.889 1.00 0.00 H new ATOM 0 HA THR A 53 2.475 3.971 8.593 1.00 0.00 H new ATOM 0 HB THR A 53 2.085 3.066 10.956 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.560 4.595 12.352 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.396 3.555 11.659 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.278 3.081 9.947 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.501 4.792 10.384 1.00 0.00 H new ATOM 815 N VAL A 54 0.210 3.088 8.382 1.00 0.00 N ATOM 816 CA VAL A 54 -1.128 2.550 8.185 1.00 0.00 C ATOM 817 C VAL A 54 -1.238 1.160 8.801 1.00 0.00 C ATOM 818 O VAL A 54 -0.693 0.191 8.273 1.00 0.00 O ATOM 819 CB VAL A 54 -1.489 2.477 6.687 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.907 1.959 6.498 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.325 3.840 6.032 1.00 0.00 C ATOM 0 H VAL A 54 0.914 2.705 7.752 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.829 3.224 8.678 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.805 1.778 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.140 1.916 5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.990 0.961 6.928 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.608 2.628 6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.584 3.770 4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.983 4.560 6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.291 4.169 6.131 1.00 0.00 H new ATOM 831 N THR A 55 -1.952 1.070 9.916 1.00 0.00 N ATOM 832 CA THR A 55 -2.135 -0.206 10.593 1.00 0.00 C ATOM 833 C THR A 55 -3.474 -0.815 10.204 1.00 0.00 C ATOM 834 O THR A 55 -4.527 -0.258 10.513 1.00 0.00 O ATOM 835 CB THR A 55 -2.048 -0.036 12.108 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.902 0.719 12.461 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.964 -1.352 12.847 1.00 0.00 C ATOM 0 H THR A 55 -2.411 1.861 10.368 1.00 0.00 H new ATOM 0 HA THR A 55 -1.336 -0.879 10.282 1.00 0.00 H new ATOM 0 HB THR A 55 -2.966 0.475 12.397 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.864 0.819 13.435 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.904 -1.164 13.919 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.851 -1.947 12.632 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.076 -1.895 12.524 1.00 0.00 H new ATOM 845 N GLU A 56 -3.430 -1.949 9.501 1.00 0.00 N ATOM 846 CA GLU A 56 -4.648 -2.618 9.042 1.00 0.00 C ATOM 847 C GLU A 56 -5.736 -2.593 10.114 1.00 0.00 C ATOM 848 O GLU A 56 -6.927 -2.521 9.744 1.00 0.00 O ATOM 849 CB GLU A 56 -4.332 -4.061 8.635 1.00 0.00 C ATOM 850 CG GLU A 56 -4.011 -4.976 9.805 1.00 0.00 C ATOM 851 CD GLU A 56 -5.247 -5.418 10.569 1.00 0.00 C ATOM 852 OE1 GLU A 56 -6.370 -5.172 10.080 1.00 0.00 O ATOM 853 OE2 GLU A 56 -5.094 -6.024 11.648 1.00 0.00 O ATOM 854 OXT GLU A 56 -5.389 -2.644 11.312 1.00 0.00 O ATOM 0 H GLU A 56 -2.565 -2.422 9.238 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.025 -2.076 8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.184 -4.469 8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.486 -4.057 7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.484 -5.856 9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.334 -4.461 10.487 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.955 18.818 -2.079 1.00 0.00 N ATOM 863 CA MET B 1 7.409 17.952 -0.961 1.00 0.00 C ATOM 864 C MET B 1 6.884 16.529 -1.109 1.00 0.00 C ATOM 865 O MET B 1 5.741 16.313 -1.515 1.00 0.00 O ATOM 866 CB MET B 1 6.922 18.558 0.358 1.00 0.00 C ATOM 867 CG MET B 1 7.588 19.879 0.704 1.00 0.00 C ATOM 868 SD MET B 1 6.948 20.600 2.227 1.00 0.00 S ATOM 869 CE MET B 1 7.340 19.310 3.404 1.00 0.00 C ATOM 0 H1 MET B 1 7.520 19.691 -2.094 1.00 0.00 H new ATOM 0 H2 MET B 1 7.075 18.313 -2.980 1.00 0.00 H new ATOM 0 H3 MET B 1 5.952 19.058 -1.947 1.00 0.00 H new ATOM 0 HA MET B 1 8.498 17.901 -0.974 1.00 0.00 H new ATOM 0 HB2 MET B 1 5.844 18.708 0.303 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.104 17.847 1.164 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.663 19.725 0.803 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.441 20.582 -0.116 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.102 19.652 4.411 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.755 18.419 3.176 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.402 19.072 3.343 1.00 0.00 H new ATOM 881 N GLN B 2 7.725 15.561 -0.764 1.00 0.00 N ATOM 882 CA GLN B 2 7.358 14.154 -0.843 1.00 0.00 C ATOM 883 C GLN B 2 7.278 13.550 0.555 1.00 0.00 C ATOM 884 O GLN B 2 7.913 14.041 1.488 1.00 0.00 O ATOM 885 CB GLN B 2 8.377 13.388 -1.687 1.00 0.00 C ATOM 886 CG GLN B 2 8.055 11.910 -1.841 1.00 0.00 C ATOM 887 CD GLN B 2 9.070 11.148 -2.684 1.00 0.00 C ATOM 888 OE1 GLN B 2 8.935 9.940 -2.880 1.00 0.00 O ATOM 889 NE2 GLN B 2 10.091 11.839 -3.189 1.00 0.00 N ATOM 0 H GLN B 2 8.672 15.728 -0.425 1.00 0.00 H new ATOM 0 HA GLN B 2 6.379 14.076 -1.316 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.433 13.844 -2.676 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.362 13.491 -1.233 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.001 11.454 -0.853 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.069 11.807 -2.294 1.00 0.00 H new ATOM 0 HE21 GLN B 2 10.170 12.839 -3.006 1.00 0.00 H new ATOM 0 HE22 GLN B 2 10.793 11.368 -3.759 1.00 0.00 H new ATOM 898 N TYR B 3 6.493 12.488 0.699 1.00 0.00 N ATOM 899 CA TYR B 3 6.335 11.831 1.988 1.00 0.00 C ATOM 900 C TYR B 3 6.445 10.318 1.847 1.00 0.00 C ATOM 901 O TYR B 3 6.084 9.754 0.816 1.00 0.00 O ATOM 902 CB TYR B 3 4.988 12.206 2.606 1.00 0.00 C ATOM 903 CG TYR B 3 4.823 13.691 2.826 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.698 14.560 1.749 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.796 14.224 4.108 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.550 15.920 1.945 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.647 15.581 4.311 1.00 0.00 C ATOM 908 CZ TYR B 3 4.525 16.425 3.226 1.00 0.00 C ATOM 909 OH TYR B 3 4.379 17.778 3.426 1.00 0.00 O ATOM 0 H TYR B 3 5.958 12.066 -0.060 1.00 0.00 H new ATOM 0 HA TYR B 3 7.136 12.170 2.645 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.187 11.851 1.957 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.878 11.690 3.560 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.717 14.167 0.743 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.893 13.567 4.959 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.454 16.583 1.098 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.626 15.980 5.314 1.00 0.00 H new ATOM 0 HH TYR B 3 4.380 17.969 4.387 1.00 0.00 H new ATOM 919 N LYS B 4 6.944 9.664 2.892 1.00 0.00 N ATOM 920 CA LYS B 4 7.094 8.214 2.878 1.00 0.00 C ATOM 921 C LYS B 4 6.063 7.563 3.787 1.00 0.00 C ATOM 922 O LYS B 4 6.124 7.698 5.005 1.00 0.00 O ATOM 923 CB LYS B 4 8.505 7.816 3.315 1.00 0.00 C ATOM 924 CG LYS B 4 8.730 6.311 3.335 1.00 0.00 C ATOM 925 CD LYS B 4 10.123 5.938 3.830 1.00 0.00 C ATOM 926 CE LYS B 4 11.211 6.345 2.844 1.00 0.00 C ATOM 927 NZ LYS B 4 11.413 7.819 2.800 1.00 0.00 N ATOM 0 H LYS B 4 7.250 10.113 3.755 1.00 0.00 H new ATOM 0 HA LYS B 4 6.932 7.864 1.858 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.229 8.275 2.642 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.696 8.218 4.310 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.982 5.843 3.976 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.585 5.911 2.331 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.307 6.419 4.791 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.171 4.862 3.998 1.00 0.00 H new ATOM 0 HE2 LYS B 4 12.148 5.861 3.120 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.948 5.987 1.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 12.431 8.031 2.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 11.009 8.199 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 10.941 8.259 3.616 1.00 0.00 H new ATOM 941 N VAL B 5 5.109 6.865 3.187 1.00 0.00 N ATOM 942 CA VAL B 5 4.063 6.207 3.952 1.00 0.00 C ATOM 943 C VAL B 5 4.417 4.752 4.238 1.00 0.00 C ATOM 944 O VAL B 5 4.868 4.019 3.360 1.00 0.00 O ATOM 945 CB VAL B 5 2.709 6.266 3.218 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.616 5.604 4.047 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.342 7.705 2.893 1.00 0.00 C ATOM 0 H VAL B 5 5.039 6.741 2.177 1.00 0.00 H new ATOM 0 HA VAL B 5 3.978 6.744 4.897 1.00 0.00 H new ATOM 0 HB VAL B 5 2.802 5.716 2.282 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.669 5.657 3.510 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.875 4.560 4.223 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.521 6.120 5.002 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.383 7.728 2.375 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.269 8.279 3.817 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.110 8.141 2.254 1.00 0.00 H new ATOM 957 N ILE B 6 4.199 4.351 5.480 1.00 0.00 N ATOM 958 CA ILE B 6 4.476 2.994 5.917 1.00 0.00 C ATOM 959 C ILE B 6 3.179 2.209 6.057 1.00 0.00 C ATOM 960 O ILE B 6 2.326 2.535 6.882 1.00 0.00 O ATOM 961 CB ILE B 6 5.236 2.983 7.261 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.627 3.593 7.078 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.337 1.572 7.822 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.424 3.682 8.361 1.00 0.00 C ATOM 0 H ILE B 6 3.826 4.956 6.211 1.00 0.00 H new ATOM 0 HA ILE B 6 5.105 2.524 5.161 1.00 0.00 H new ATOM 0 HB ILE B 6 4.678 3.585 7.978 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.184 2.997 6.355 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.523 4.592 6.655 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.877 1.595 8.769 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.336 1.173 7.985 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.871 0.937 7.115 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.399 4.124 8.154 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.889 4.303 9.079 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.559 2.683 8.775 1.00 0.00 H new ATOM 976 N LEU B 7 3.043 1.172 5.246 1.00 0.00 N ATOM 977 CA LEU B 7 1.855 0.335 5.271 1.00 0.00 C ATOM 978 C LEU B 7 2.102 -0.874 6.169 1.00 0.00 C ATOM 979 O LEU B 7 2.515 -1.937 5.703 1.00 0.00 O ATOM 980 CB LEU B 7 1.494 -0.094 3.847 1.00 0.00 C ATOM 981 CG LEU B 7 1.651 1.003 2.794 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.137 0.525 1.446 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.931 2.268 3.235 1.00 0.00 C ATOM 0 H LEU B 7 3.743 0.889 4.560 1.00 0.00 H new ATOM 0 HA LEU B 7 1.014 0.897 5.677 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.120 -0.941 3.567 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.462 -0.444 3.837 1.00 0.00 H new ATOM 0 HG LEU B 7 2.711 1.235 2.688 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.257 1.319 0.709 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.703 -0.351 1.131 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.082 0.264 1.530 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.052 3.040 2.475 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.129 2.055 3.370 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.353 2.617 4.177 1.00 0.00 H new ATOM 995 N ASN B 8 1.880 -0.683 7.468 1.00 0.00 N ATOM 996 CA ASN B 8 2.108 -1.730 8.461 1.00 0.00 C ATOM 997 C ASN B 8 0.835 -2.507 8.787 1.00 0.00 C ATOM 998 O ASN B 8 -0.055 -1.998 9.463 1.00 0.00 O ATOM 999 CB ASN B 8 2.659 -1.094 9.739 1.00 0.00 C ATOM 1000 CG ASN B 8 3.067 -2.116 10.779 1.00 0.00 C ATOM 1001 OD1 ASN B 8 2.284 -2.989 11.153 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.296 -1.998 11.265 1.00 0.00 N ATOM 0 H ASN B 8 1.540 0.195 7.859 1.00 0.00 H new ATOM 0 HA ASN B 8 2.823 -2.438 8.042 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.520 -0.475 9.488 1.00 0.00 H new ATOM 0 HB3 ASN B 8 1.904 -0.433 10.164 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.627 -2.647 11.979 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.910 -1.258 10.925 1.00 0.00 H new ATOM 1009 N GLY B 9 0.755 -3.746 8.313 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.414 -4.564 8.584 1.00 0.00 C ATOM 1011 C GLY B 9 -0.082 -5.791 9.403 1.00 0.00 C ATOM 1012 O GLY B 9 0.998 -5.887 9.985 1.00 0.00 O ATOM 0 H GLY B 9 1.475 -4.197 7.749 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.157 -3.967 9.113 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.866 -4.871 7.641 1.00 0.00 H new ATOM 1016 N LYS B 10 -1.016 -6.729 9.446 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.823 -7.958 10.198 1.00 0.00 C ATOM 1018 C LYS B 10 0.065 -8.926 9.428 1.00 0.00 C ATOM 1019 O LYS B 10 1.109 -9.356 9.917 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.168 -8.616 10.498 1.00 0.00 C ATOM 1021 CG LYS B 10 -3.068 -7.774 11.383 1.00 0.00 C ATOM 1022 CD LYS B 10 -2.612 -7.777 12.833 1.00 0.00 C ATOM 1023 CE LYS B 10 -3.118 -9.005 13.573 1.00 0.00 C ATOM 1024 NZ LYS B 10 -2.506 -10.266 13.066 1.00 0.00 N ATOM 0 H LYS B 10 -1.915 -6.662 8.969 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.333 -7.706 11.139 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.682 -8.819 9.559 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.994 -9.578 10.980 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -3.085 -6.749 11.011 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -4.089 -8.151 11.324 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.523 -7.750 12.873 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.972 -6.877 13.331 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -2.901 -8.901 14.636 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -4.202 -9.065 13.474 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.557 -10.997 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -3.023 -10.588 12.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -1.511 -10.093 12.817 1.00 0.00 H new ATOM 1038 N THR B 11 -0.370 -9.271 8.221 1.00 0.00 N ATOM 1039 CA THR B 11 0.355 -10.191 7.367 1.00 0.00 C ATOM 1040 C THR B 11 1.032 -9.459 6.217 1.00 0.00 C ATOM 1041 O THR B 11 1.599 -10.085 5.319 1.00 0.00 O ATOM 1042 CB THR B 11 -0.613 -11.233 6.811 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.846 -10.629 6.466 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.904 -12.367 7.768 1.00 0.00 C ATOM 0 H THR B 11 -1.235 -8.918 7.812 1.00 0.00 H new ATOM 0 HA THR B 11 1.128 -10.677 7.962 1.00 0.00 H new ATOM 0 HB THR B 11 -0.114 -11.650 5.936 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.583 -11.221 6.722 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.599 -13.066 7.303 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.024 -12.885 8.011 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.347 -11.968 8.681 1.00 0.00 H new ATOM 1052 N LEU B 12 0.965 -8.134 6.239 1.00 0.00 N ATOM 1053 CA LEU B 12 1.567 -7.335 5.189 1.00 0.00 C ATOM 1054 C LEU B 12 2.303 -6.133 5.766 1.00 0.00 C ATOM 1055 O LEU B 12 1.803 -5.450 6.659 1.00 0.00 O ATOM 1056 CB LEU B 12 0.495 -6.885 4.195 1.00 0.00 C ATOM 1057 CG LEU B 12 1.002 -6.047 3.029 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.203 -6.722 2.394 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.102 -5.835 2.005 1.00 0.00 C ATOM 0 H LEU B 12 0.501 -7.595 6.971 1.00 0.00 H new ATOM 0 HA LEU B 12 2.298 -7.951 4.665 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -0.002 -7.769 3.797 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.259 -6.311 4.734 1.00 0.00 H new ATOM 0 HG LEU B 12 1.307 -5.069 3.402 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.561 -6.118 1.560 1.00 0.00 H new ATOM 0 HD12 LEU B 12 2.996 -6.825 3.135 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.916 -7.708 2.030 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.278 -5.234 1.179 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.438 -6.801 1.627 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.939 -5.318 2.474 1.00 0.00 H new ATOM 1071 N LYS B 13 3.496 -5.882 5.239 1.00 0.00 N ATOM 1072 CA LYS B 13 4.317 -4.764 5.685 1.00 0.00 C ATOM 1073 C LYS B 13 5.094 -4.183 4.510 1.00 0.00 C ATOM 1074 O LYS B 13 5.502 -4.916 3.608 1.00 0.00 O ATOM 1075 CB LYS B 13 5.280 -5.218 6.785 1.00 0.00 C ATOM 1076 CG LYS B 13 4.582 -5.795 8.005 1.00 0.00 C ATOM 1077 CD LYS B 13 5.580 -6.268 9.049 1.00 0.00 C ATOM 1078 CE LYS B 13 6.461 -5.128 9.537 1.00 0.00 C ATOM 1079 NZ LYS B 13 5.665 -4.027 10.147 1.00 0.00 N ATOM 0 H LYS B 13 3.918 -6.442 4.498 1.00 0.00 H new ATOM 0 HA LYS B 13 3.665 -3.991 6.091 1.00 0.00 H new ATOM 0 HB2 LYS B 13 5.958 -5.967 6.376 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.891 -4.370 7.094 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.928 -5.040 8.442 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.949 -6.629 7.702 1.00 0.00 H new ATOM 0 HD2 LYS B 13 5.046 -6.703 9.894 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.204 -7.056 8.627 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.173 -5.509 10.269 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.041 -4.736 8.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.305 -3.354 10.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.128 -3.535 9.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.006 -4.422 10.847 1.00 0.00 H new ATOM 1093 N GLY B 14 5.298 -2.871 4.515 1.00 0.00 N ATOM 1094 CA GLY B 14 6.027 -2.248 3.429 1.00 0.00 C ATOM 1095 C GLY B 14 6.186 -0.752 3.595 1.00 0.00 C ATOM 1096 O GLY B 14 5.909 -0.199 4.657 1.00 0.00 O ATOM 0 H GLY B 14 4.975 -2.234 5.243 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.014 -2.705 3.354 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.510 -2.450 2.491 1.00 0.00 H new ATOM 1100 N GLU B 15 6.634 -0.101 2.526 1.00 0.00 N ATOM 1101 CA GLU B 15 6.834 1.341 2.532 1.00 0.00 C ATOM 1102 C GLU B 15 6.508 1.932 1.164 1.00 0.00 C ATOM 1103 O GLU B 15 6.867 1.371 0.129 1.00 0.00 O ATOM 1104 CB GLU B 15 8.274 1.674 2.925 1.00 0.00 C ATOM 1105 CG GLU B 15 8.653 1.182 4.314 1.00 0.00 C ATOM 1106 CD GLU B 15 10.074 1.542 4.694 1.00 0.00 C ATOM 1107 OE1 GLU B 15 11.007 1.108 3.987 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.255 2.259 5.701 1.00 0.00 O ATOM 0 H GLU B 15 6.866 -0.553 1.642 1.00 0.00 H new ATOM 0 HA GLU B 15 6.160 1.781 3.267 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.953 1.234 2.194 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.414 2.754 2.880 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.967 1.608 5.046 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.533 0.099 4.357 1.00 0.00 H new ATOM 1115 N THR B 16 5.820 3.065 1.174 1.00 0.00 N ATOM 1116 CA THR B 16 5.432 3.744 -0.055 1.00 0.00 C ATOM 1117 C THR B 16 5.722 5.241 0.035 1.00 0.00 C ATOM 1118 O THR B 16 6.036 5.755 1.107 1.00 0.00 O ATOM 1119 CB THR B 16 3.949 3.491 -0.350 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.444 4.464 -1.231 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.073 3.488 0.884 1.00 0.00 C ATOM 0 H THR B 16 5.517 3.536 2.026 1.00 0.00 H new ATOM 0 HA THR B 16 6.023 3.340 -0.877 1.00 0.00 H new ATOM 0 HB THR B 16 3.915 2.496 -0.794 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.586 4.161 -1.596 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.038 3.303 0.595 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.406 2.704 1.564 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.143 4.455 1.382 1.00 0.00 H new ATOM 1129 N THR B 17 5.636 5.938 -1.099 1.00 0.00 N ATOM 1130 CA THR B 17 5.914 7.371 -1.124 1.00 0.00 C ATOM 1131 C THR B 17 5.007 8.138 -2.086 1.00 0.00 C ATOM 1132 O THR B 17 5.051 7.935 -3.301 1.00 0.00 O ATOM 1133 CB THR B 17 7.373 7.615 -1.503 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.668 7.022 -2.755 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.355 7.069 -0.492 1.00 0.00 C ATOM 0 H THR B 17 5.379 5.538 -2.001 1.00 0.00 H new ATOM 0 HA THR B 17 5.714 7.744 -0.120 1.00 0.00 H new ATOM 0 HB THR B 17 7.485 8.699 -1.541 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.857 6.996 -3.304 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.372 7.277 -0.824 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.184 7.544 0.474 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.218 5.992 -0.396 1.00 0.00 H new ATOM 1143 N THR B 18 4.212 9.047 -1.527 1.00 0.00 N ATOM 1144 CA THR B 18 3.312 9.887 -2.311 1.00 0.00 C ATOM 1145 C THR B 18 3.880 11.302 -2.411 1.00 0.00 C ATOM 1146 O THR B 18 4.430 11.826 -1.443 1.00 0.00 O ATOM 1147 CB THR B 18 1.925 9.931 -1.663 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.020 10.652 -2.480 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.916 10.572 -0.290 1.00 0.00 C ATOM 0 H THR B 18 4.174 9.221 -0.523 1.00 0.00 H new ATOM 0 HA THR B 18 3.220 9.463 -3.311 1.00 0.00 H new ATOM 0 HB THR B 18 1.624 8.889 -1.555 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.253 10.520 -3.423 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.901 10.568 0.107 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.569 10.010 0.378 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.272 11.600 -0.366 1.00 0.00 H new ATOM 1157 N GLU B 19 3.734 11.921 -3.575 1.00 0.00 N ATOM 1158 CA GLU B 19 4.224 13.279 -3.782 1.00 0.00 C ATOM 1159 C GLU B 19 3.070 14.263 -3.643 1.00 0.00 C ATOM 1160 O GLU B 19 2.147 14.258 -4.456 1.00 0.00 O ATOM 1161 CB GLU B 19 4.856 13.403 -5.171 1.00 0.00 C ATOM 1162 CG GLU B 19 5.483 14.761 -5.442 1.00 0.00 C ATOM 1163 CD GLU B 19 6.716 15.013 -4.598 1.00 0.00 C ATOM 1164 OE1 GLU B 19 6.604 14.973 -3.356 1.00 0.00 O ATOM 1165 OE2 GLU B 19 7.795 15.250 -5.180 1.00 0.00 O ATOM 0 H GLU B 19 3.281 11.506 -4.389 1.00 0.00 H new ATOM 0 HA GLU B 19 4.982 13.506 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.619 12.632 -5.283 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.094 13.208 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.749 14.830 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.748 15.542 -5.247 1.00 0.00 H new ATOM 1172 N ALA B 20 3.099 15.100 -2.604 1.00 0.00 N ATOM 1173 CA ALA B 20 2.023 16.056 -2.387 1.00 0.00 C ATOM 1174 C ALA B 20 2.521 17.349 -1.742 1.00 0.00 C ATOM 1175 O ALA B 20 3.506 17.356 -1.004 1.00 0.00 O ATOM 1176 CB ALA B 20 0.936 15.424 -1.531 1.00 0.00 C ATOM 0 H ALA B 20 3.847 15.132 -1.911 1.00 0.00 H new ATOM 0 HA ALA B 20 1.614 16.320 -3.362 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.133 16.144 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.539 14.544 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.355 15.130 -0.569 1.00 0.00 H new ATOM 1182 N VAL B 21 1.834 18.442 -2.056 1.00 0.00 N ATOM 1183 CA VAL B 21 2.190 19.766 -1.550 1.00 0.00 C ATOM 1184 C VAL B 21 2.368 19.773 -0.031 1.00 0.00 C ATOM 1185 O VAL B 21 3.157 20.552 0.504 1.00 0.00 O ATOM 1186 CB VAL B 21 1.119 20.808 -1.925 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.586 22.210 -1.568 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.770 20.709 -3.402 1.00 0.00 C ATOM 0 H VAL B 21 1.017 18.437 -2.666 1.00 0.00 H new ATOM 0 HA VAL B 21 3.140 20.026 -2.016 1.00 0.00 H new ATOM 0 HB VAL B 21 0.217 20.597 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.815 22.931 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.775 22.269 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.504 22.437 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.012 21.453 -3.647 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.663 20.890 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.384 19.713 -3.619 1.00 0.00 H new ATOM 1198 N ASP B 22 1.644 18.900 0.660 1.00 0.00 N ATOM 1199 CA ASP B 22 1.745 18.820 2.115 1.00 0.00 C ATOM 1200 C ASP B 22 1.357 17.439 2.626 1.00 0.00 C ATOM 1201 O ASP B 22 0.879 16.595 1.869 1.00 0.00 O ATOM 1202 CB ASP B 22 0.881 19.894 2.777 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.539 19.903 2.250 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -0.724 20.201 1.053 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.463 19.608 3.034 1.00 0.00 O ATOM 0 H ASP B 22 0.986 18.242 0.242 1.00 0.00 H new ATOM 0 HA ASP B 22 2.787 18.996 2.382 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.864 19.729 3.854 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.333 20.872 2.611 1.00 0.00 H new ATOM 1210 N ALA B 23 1.573 17.214 3.920 1.00 0.00 N ATOM 1211 CA ALA B 23 1.254 15.935 4.539 1.00 0.00 C ATOM 1212 C ALA B 23 -0.212 15.582 4.356 1.00 0.00 C ATOM 1213 O ALA B 23 -0.550 14.434 4.074 1.00 0.00 O ATOM 1214 CB ALA B 23 1.616 15.957 6.016 1.00 0.00 C ATOM 0 H ALA B 23 1.968 17.904 4.559 1.00 0.00 H new ATOM 0 HA ALA B 23 1.846 15.166 4.043 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.372 14.994 6.465 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.683 16.148 6.126 1.00 0.00 H new ATOM 0 HB3 ALA B 23 1.053 16.744 6.517 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.082 16.572 4.507 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.511 16.345 4.341 1.00 0.00 C ATOM 1222 C ALA B 24 -2.809 15.935 2.910 1.00 0.00 C ATOM 1223 O ALA B 24 -3.394 14.880 2.671 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.304 17.586 4.725 1.00 0.00 C ATOM 0 H ALA B 24 -0.827 17.531 4.742 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.815 15.536 5.006 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.369 17.393 4.593 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.107 17.835 5.768 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.005 18.420 4.090 1.00 0.00 H new ATOM 1230 N THR B 25 -2.376 16.752 1.949 1.00 0.00 N ATOM 1231 CA THR B 25 -2.577 16.428 0.551 1.00 0.00 C ATOM 1232 C THR B 25 -2.032 15.036 0.286 1.00 0.00 C ATOM 1233 O THR B 25 -2.682 14.210 -0.354 1.00 0.00 O ATOM 1234 CB THR B 25 -1.892 17.458 -0.345 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.536 17.619 0.013 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.552 18.819 -0.308 1.00 0.00 C ATOM 0 H THR B 25 -1.890 17.632 2.118 1.00 0.00 H new ATOM 0 HA THR B 25 -3.642 16.449 0.322 1.00 0.00 H new ATOM 0 HB THR B 25 -1.981 17.061 -1.356 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.391 17.261 0.914 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.015 19.502 -0.967 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.586 18.731 -0.642 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.531 19.206 0.711 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.844 14.773 0.824 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.225 13.467 0.686 1.00 0.00 C ATOM 1246 C ALA B 26 -1.133 12.410 1.296 1.00 0.00 C ATOM 1247 O ALA B 26 -1.460 11.413 0.653 1.00 0.00 O ATOM 1248 CB ALA B 26 1.143 13.448 1.354 1.00 0.00 C ATOM 0 H ALA B 26 -0.296 15.448 1.357 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.084 13.249 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.590 12.461 1.239 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.786 14.194 0.887 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.033 13.676 2.414 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.551 12.639 2.542 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.434 11.711 3.233 1.00 0.00 C ATOM 1256 C GLU B 27 -3.686 11.453 2.410 1.00 0.00 C ATOM 1257 O GLU B 27 -4.097 10.306 2.235 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.831 12.257 4.602 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.666 11.286 5.421 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.052 11.845 6.777 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -3.666 12.994 7.079 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.742 11.134 7.536 1.00 0.00 O ATOM 0 H GLU B 27 -1.290 13.459 3.089 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.893 10.774 3.368 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.929 12.509 5.160 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.391 13.182 4.467 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.570 11.033 4.866 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.107 10.360 5.560 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.279 12.528 1.895 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.479 12.424 1.076 1.00 0.00 C ATOM 1271 C LYS B 28 -5.180 11.653 -0.199 1.00 0.00 C ATOM 1272 O LYS B 28 -5.913 10.739 -0.573 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.020 13.813 0.735 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.453 14.611 1.952 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.542 13.889 2.727 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.799 13.712 1.889 1.00 0.00 C ATOM 1277 NZ LYS B 28 -9.356 15.015 1.432 1.00 0.00 N ATOM 0 H LYS B 28 -3.945 13.482 2.032 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.238 11.886 1.645 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.253 14.371 0.199 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.869 13.708 0.059 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.594 14.782 2.601 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.815 15.590 1.638 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.176 12.913 3.047 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.781 14.451 3.630 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.572 13.091 1.022 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.551 13.181 2.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.309 14.868 1.044 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -9.408 15.672 2.237 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.741 15.417 0.696 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.085 12.016 -0.857 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.681 11.343 -2.080 1.00 0.00 C ATOM 1293 C VAL B 29 -3.589 9.846 -1.840 1.00 0.00 C ATOM 1294 O VAL B 29 -4.047 9.043 -2.653 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.328 11.869 -2.594 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.876 11.087 -3.816 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.418 13.354 -2.912 1.00 0.00 C ATOM 0 H VAL B 29 -3.465 12.770 -0.563 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.435 11.549 -2.839 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.587 11.730 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.918 11.475 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.768 10.034 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.617 11.190 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.453 13.708 -3.274 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.175 13.517 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.691 13.903 -2.011 1.00 0.00 H new ATOM 1307 N VAL B 30 -3.020 9.480 -0.700 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.902 8.081 -0.338 1.00 0.00 C ATOM 1309 C VAL B 30 -4.296 7.482 -0.209 1.00 0.00 C ATOM 1310 O VAL B 30 -4.564 6.394 -0.713 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.137 7.901 0.982 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.922 6.425 1.280 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.811 8.645 0.934 1.00 0.00 C ATOM 0 H VAL B 30 -2.636 10.131 -0.015 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.340 7.569 -1.120 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.735 8.324 1.789 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.379 6.319 2.219 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.888 5.926 1.361 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.346 5.971 0.474 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.282 8.507 1.877 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.204 8.255 0.117 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.995 9.707 0.774 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.198 8.214 0.459 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.574 7.752 0.627 1.00 0.00 C ATOM 1325 C LYS B 31 -7.111 7.254 -0.706 1.00 0.00 C ATOM 1326 O LYS B 31 -7.607 6.135 -0.815 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.490 8.869 1.142 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.058 9.505 2.454 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.836 8.475 3.546 1.00 0.00 C ATOM 1330 CE LYS B 31 -6.849 9.117 4.926 1.00 0.00 C ATOM 1331 NZ LYS B 31 -8.133 9.817 5.202 1.00 0.00 N ATOM 0 H LYS B 31 -4.999 9.119 0.886 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.564 6.948 1.362 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.550 9.648 0.381 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.495 8.465 1.266 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.139 10.069 2.297 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.817 10.217 2.778 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.612 7.711 3.491 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.882 7.972 3.386 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -6.683 8.351 5.684 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.025 9.826 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -8.312 9.822 6.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.076 10.796 4.855 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.909 9.323 4.717 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.986 8.099 -1.726 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.441 7.753 -3.066 1.00 0.00 C ATOM 1347 C GLN B 32 -6.708 6.510 -3.550 1.00 0.00 C ATOM 1348 O GLN B 32 -7.288 5.640 -4.203 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.201 8.913 -4.034 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.732 8.655 -5.437 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.248 8.510 -5.506 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.946 8.799 -4.408 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.792 8.153 -6.552 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.573 9.028 -1.648 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.512 7.551 -3.031 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.672 9.811 -3.636 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.131 9.113 -4.090 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.425 9.474 -6.087 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.272 7.748 -5.828 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.227 7.940 -7.374 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.808 8.071 -6.596 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.426 6.431 -3.210 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.597 5.296 -3.588 1.00 0.00 C ATOM 1364 C PHE B 33 -5.253 3.987 -3.139 1.00 0.00 C ATOM 1365 O PHE B 33 -5.628 3.151 -3.959 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.204 5.447 -2.961 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.201 4.466 -3.478 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.718 4.582 -4.769 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.749 3.421 -2.683 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.806 3.673 -5.262 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.832 2.512 -3.175 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.365 2.641 -4.469 1.00 0.00 C ATOM 0 H PHE B 33 -4.937 7.145 -2.670 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.495 5.270 -4.673 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.840 6.457 -3.147 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.288 5.332 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.058 5.392 -5.397 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -2.117 3.318 -1.673 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.438 3.772 -6.272 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.482 1.704 -2.550 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.348 1.929 -4.858 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.402 3.839 -1.826 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.026 2.650 -1.244 1.00 0.00 C ATOM 1384 C PHE B 34 -7.509 2.601 -1.584 1.00 0.00 C ATOM 1385 O PHE B 34 -8.054 1.541 -1.888 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.783 2.625 0.264 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.318 2.580 0.572 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.499 1.679 -0.092 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.752 3.449 1.487 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.143 1.648 0.149 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.394 3.417 1.739 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.590 2.517 1.065 1.00 0.00 C ATOM 0 H PHE B 34 -5.098 4.530 -1.140 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.571 1.757 -1.672 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.227 3.509 0.722 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.277 1.757 0.701 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.930 0.993 -0.807 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.377 4.159 2.009 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.515 0.945 -0.378 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.962 4.094 2.461 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.527 2.495 1.256 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.149 3.760 -1.559 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.564 3.867 -1.895 1.00 0.00 C ATOM 1404 C ASN B 35 -9.844 3.188 -3.232 1.00 0.00 C ATOM 1405 O ASN B 35 -10.869 2.531 -3.417 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.951 5.341 -1.985 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.418 5.546 -2.286 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.977 4.919 -3.186 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.039 6.452 -1.547 1.00 0.00 N ATOM 0 H ASN B 35 -7.709 4.646 -1.308 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.151 3.375 -1.119 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.706 5.834 -1.044 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.355 5.821 -2.761 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.025 6.657 -1.712 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.532 6.945 -0.812 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.909 3.365 -4.159 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.023 2.789 -5.496 1.00 0.00 C ATOM 1418 C ASP B 36 -8.306 1.443 -5.612 1.00 0.00 C ATOM 1419 O ASP B 36 -8.641 0.637 -6.480 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.484 3.758 -6.547 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.274 5.052 -6.598 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.345 5.747 -5.563 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.821 5.371 -7.675 1.00 0.00 O ATOM 0 H ASP B 36 -8.058 3.906 -4.008 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.084 2.614 -5.675 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.439 3.981 -6.330 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.511 3.280 -7.526 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.330 1.187 -4.741 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.611 -0.085 -4.783 1.00 0.00 C ATOM 1430 C ASN B 37 -7.434 -1.164 -4.096 1.00 0.00 C ATOM 1431 O ASN B 37 -7.587 -2.269 -4.615 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.238 0.016 -4.110 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.292 0.957 -4.826 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.216 0.961 -6.055 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.538 1.738 -4.060 1.00 0.00 N ATOM 0 H ASN B 37 -7.024 1.830 -4.011 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.455 -0.343 -5.830 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.368 0.354 -3.082 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.789 -0.976 -4.065 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.864 2.373 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.634 1.703 -3.045 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.954 -0.808 -2.923 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.773 -1.701 -2.115 1.00 0.00 C ATOM 1444 C GLY B 38 -9.107 -3.038 -2.756 1.00 0.00 C ATOM 1445 O GLY B 38 -8.230 -3.878 -2.959 1.00 0.00 O ATOM 0 H GLY B 38 -7.817 0.113 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.257 -1.888 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.705 -1.191 -1.872 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.394 -3.259 -2.995 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.868 -4.533 -3.530 1.00 0.00 C ATOM 1451 C VAL B 39 -11.375 -4.462 -4.971 1.00 0.00 C ATOM 1452 O VAL B 39 -11.874 -5.459 -5.492 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.019 -5.061 -2.667 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.408 -6.472 -3.083 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.662 -5.011 -1.187 1.00 0.00 C ATOM 0 H VAL B 39 -11.130 -2.573 -2.827 1.00 0.00 H new ATOM 0 HA VAL B 39 -9.999 -5.191 -3.515 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.880 -4.412 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.227 -6.824 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.725 -6.469 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.551 -7.135 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.497 -5.391 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.780 -5.625 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.454 -3.981 -0.898 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.264 -3.317 -5.625 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.739 -3.201 -7.004 1.00 0.00 C ATOM 1467 C ASP B 40 -10.649 -2.689 -7.949 1.00 0.00 C ATOM 1468 O ASP B 40 -10.937 -2.292 -9.078 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.953 -2.271 -7.061 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.110 -2.779 -6.223 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.932 -2.932 -4.996 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.195 -3.022 -6.794 1.00 0.00 O ATOM 0 H ASP B 40 -10.858 -2.466 -5.237 1.00 0.00 H new ATOM 0 HA ASP B 40 -12.021 -4.200 -7.337 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.664 -1.279 -6.713 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.277 -2.164 -8.096 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.401 -2.694 -7.488 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.306 -2.220 -8.319 1.00 0.00 C ATOM 1479 C GLY B 41 -7.831 -3.255 -9.323 1.00 0.00 C ATOM 1480 O GLY B 41 -8.228 -4.417 -9.266 1.00 0.00 O ATOM 0 H GLY B 41 -9.129 -3.016 -6.559 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.624 -1.324 -8.852 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.471 -1.932 -7.680 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.961 -2.823 -10.237 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.404 -3.709 -11.257 1.00 0.00 C ATOM 1486 C GLU B 42 -5.031 -4.211 -10.818 1.00 0.00 C ATOM 1487 O GLU B 42 -4.054 -3.457 -10.822 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.286 -2.983 -12.602 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.615 -2.730 -13.304 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.523 -1.775 -12.551 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -9.021 -2.151 -11.471 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.733 -0.647 -13.043 1.00 0.00 O ATOM 0 H GLU B 42 -6.627 -1.861 -10.291 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.077 -4.558 -11.379 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.787 -2.027 -12.442 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.647 -3.570 -13.262 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.421 -2.327 -14.298 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.132 -3.680 -13.440 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.965 -5.474 -10.408 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.716 -6.056 -9.928 1.00 0.00 C ATOM 1501 C TRP B 43 -3.060 -6.980 -10.954 1.00 0.00 C ATOM 1502 O TRP B 43 -3.663 -7.955 -11.400 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.975 -6.866 -8.656 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.570 -6.084 -7.526 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.467 -5.052 -7.601 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.312 -6.290 -6.135 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.778 -4.608 -6.338 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.079 -5.353 -5.421 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.502 -7.181 -5.424 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.060 -5.282 -4.031 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.483 -7.110 -4.046 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.259 -6.167 -3.362 1.00 0.00 C ATOM 0 H TRP B 43 -5.760 -6.113 -10.398 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.040 -5.223 -9.737 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.642 -7.693 -8.898 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.034 -7.303 -8.322 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.870 -4.647 -8.517 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.423 -3.849 -6.118 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.901 -7.912 -5.945 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.656 -4.555 -3.500 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.860 -7.792 -3.487 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.225 -6.137 -2.283 1.00 0.00 H new ATOM 1523 N THR B 44 -1.807 -6.686 -11.295 1.00 0.00 N ATOM 1524 CA THR B 44 -1.049 -7.511 -12.232 1.00 0.00 C ATOM 1525 C THR B 44 0.090 -8.205 -11.485 1.00 0.00 C ATOM 1526 O THR B 44 0.735 -7.601 -10.629 1.00 0.00 O ATOM 1527 CB THR B 44 -0.497 -6.661 -13.377 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.306 -5.609 -12.878 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.575 -6.043 -14.241 1.00 0.00 C ATOM 0 H THR B 44 -1.295 -5.881 -10.935 1.00 0.00 H new ATOM 0 HA THR B 44 -1.711 -8.263 -12.662 1.00 0.00 H new ATOM 0 HB THR B 44 0.086 -7.349 -13.989 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.046 -5.982 -12.354 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.113 -5.454 -15.033 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.183 -6.832 -14.683 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.206 -5.398 -13.630 1.00 0.00 H new ATOM 1537 N TYR B 45 0.323 -9.480 -11.790 1.00 0.00 N ATOM 1538 CA TYR B 45 1.371 -10.245 -11.115 1.00 0.00 C ATOM 1539 C TYR B 45 2.522 -10.586 -12.061 1.00 0.00 C ATOM 1540 O TYR B 45 2.313 -10.836 -13.248 1.00 0.00 O ATOM 1541 CB TYR B 45 0.775 -11.527 -10.527 1.00 0.00 C ATOM 1542 CG TYR B 45 1.742 -12.340 -9.695 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.686 -11.722 -8.886 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.706 -13.728 -9.718 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.570 -12.465 -8.125 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.585 -14.477 -8.960 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.514 -13.842 -8.165 1.00 0.00 C ATOM 1548 OH TYR B 45 4.393 -14.585 -7.408 1.00 0.00 O ATOM 0 H TYR B 45 -0.196 -10.003 -12.495 1.00 0.00 H new ATOM 0 HA TYR B 45 1.777 -9.627 -10.314 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.084 -11.264 -9.910 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.404 -12.148 -11.342 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.731 -10.644 -8.850 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.979 -14.230 -10.339 1.00 0.00 H new ATOM 0 HE1 TYR B 45 4.300 -11.969 -7.503 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.544 -15.556 -8.990 1.00 0.00 H new ATOM 0 HH TYR B 45 4.111 -14.569 -6.470 1.00 0.00 H new ATOM 1558 N ASP B 46 3.739 -10.603 -11.518 1.00 0.00 N ATOM 1559 CA ASP B 46 4.930 -10.920 -12.302 1.00 0.00 C ATOM 1560 C ASP B 46 5.687 -12.096 -11.683 1.00 0.00 C ATOM 1561 O ASP B 46 6.644 -11.907 -10.933 1.00 0.00 O ATOM 1562 CB ASP B 46 5.848 -9.698 -12.391 1.00 0.00 C ATOM 1563 CG ASP B 46 7.096 -9.964 -13.213 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.242 -11.098 -13.718 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.924 -9.041 -13.352 1.00 0.00 O ATOM 0 H ASP B 46 3.925 -10.400 -10.536 1.00 0.00 H new ATOM 0 HA ASP B 46 4.613 -11.200 -13.306 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.298 -8.866 -12.831 1.00 0.00 H new ATOM 0 HB3 ASP B 46 6.138 -9.392 -11.386 1.00 0.00 H new ATOM 1570 N ASP B 47 5.242 -13.310 -11.997 1.00 0.00 N ATOM 1571 CA ASP B 47 5.864 -14.526 -11.470 1.00 0.00 C ATOM 1572 C ASP B 47 7.390 -14.468 -11.557 1.00 0.00 C ATOM 1573 O ASP B 47 8.089 -15.009 -10.700 1.00 0.00 O ATOM 1574 CB ASP B 47 5.358 -15.749 -12.239 1.00 0.00 C ATOM 1575 CG ASP B 47 3.848 -15.880 -12.198 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.193 -15.014 -11.581 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.320 -16.847 -12.786 1.00 0.00 O ATOM 0 H ASP B 47 4.450 -13.480 -12.616 1.00 0.00 H new ATOM 0 HA ASP B 47 5.587 -14.606 -10.419 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.685 -15.682 -13.277 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.809 -16.649 -11.820 1.00 0.00 H new ATOM 1582 N ALA B 48 7.899 -13.833 -12.607 1.00 0.00 N ATOM 1583 CA ALA B 48 9.341 -13.730 -12.823 1.00 0.00 C ATOM 1584 C ALA B 48 10.080 -13.248 -11.578 1.00 0.00 C ATOM 1585 O ALA B 48 11.208 -13.667 -11.320 1.00 0.00 O ATOM 1586 CB ALA B 48 9.626 -12.803 -13.996 1.00 0.00 C ATOM 0 H ALA B 48 7.334 -13.380 -13.325 1.00 0.00 H new ATOM 0 HA ALA B 48 9.710 -14.731 -13.049 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.703 -12.732 -14.150 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.156 -13.200 -14.896 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.224 -11.813 -13.783 1.00 0.00 H new ATOM 1592 N THR B 49 9.448 -12.371 -10.808 1.00 0.00 N ATOM 1593 CA THR B 49 10.068 -11.845 -9.594 1.00 0.00 C ATOM 1594 C THR B 49 9.149 -11.993 -8.383 1.00 0.00 C ATOM 1595 O THR B 49 9.357 -11.344 -7.358 1.00 0.00 O ATOM 1596 CB THR B 49 10.439 -10.375 -9.785 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.291 -9.599 -10.082 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.444 -10.152 -10.893 1.00 0.00 C ATOM 0 H THR B 49 8.513 -12.010 -10.999 1.00 0.00 H new ATOM 0 HA THR B 49 10.970 -12.427 -9.406 1.00 0.00 H new ATOM 0 HB THR B 49 10.888 -10.067 -8.841 1.00 0.00 H new ATOM 0 HG1 THR B 49 9.551 -8.661 -10.199 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.664 -9.088 -10.976 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.361 -10.696 -10.667 1.00 0.00 H new ATOM 0 HG23 THR B 49 11.032 -10.512 -11.836 1.00 0.00 H new ATOM 1606 N LYS B 50 8.131 -12.843 -8.504 1.00 0.00 N ATOM 1607 CA LYS B 50 7.184 -13.056 -7.411 1.00 0.00 C ATOM 1608 C LYS B 50 6.707 -11.721 -6.848 1.00 0.00 C ATOM 1609 O LYS B 50 6.520 -11.572 -5.638 1.00 0.00 O ATOM 1610 CB LYS B 50 7.824 -13.891 -6.302 1.00 0.00 C ATOM 1611 CG LYS B 50 8.224 -15.285 -6.748 1.00 0.00 C ATOM 1612 CD LYS B 50 7.805 -16.328 -5.727 1.00 0.00 C ATOM 1613 CE LYS B 50 8.220 -17.728 -6.150 1.00 0.00 C ATOM 1614 NZ LYS B 50 9.697 -17.847 -6.307 1.00 0.00 N ATOM 0 H LYS B 50 7.941 -13.392 -9.342 1.00 0.00 H new ATOM 0 HA LYS B 50 6.324 -13.597 -7.807 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.706 -13.370 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.125 -13.971 -5.469 1.00 0.00 H new ATOM 0 HG2 LYS B 50 7.763 -15.508 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.303 -15.328 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS B 50 8.252 -16.092 -4.761 1.00 0.00 H new ATOM 0 HD3 LYS B 50 6.724 -16.294 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS B 50 7.875 -18.448 -5.408 1.00 0.00 H new ATOM 0 HE3 LYS B 50 7.733 -17.982 -7.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 9.959 -18.851 -6.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 9.996 -17.350 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 10.169 -17.423 -5.483 1.00 0.00 H new ATOM 1628 N THR B 51 6.533 -10.746 -7.735 1.00 0.00 N ATOM 1629 CA THR B 51 6.097 -9.416 -7.335 1.00 0.00 C ATOM 1630 C THR B 51 4.816 -9.012 -8.060 1.00 0.00 C ATOM 1631 O THR B 51 4.659 -9.261 -9.255 1.00 0.00 O ATOM 1632 CB THR B 51 7.201 -8.395 -7.622 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.381 -8.721 -6.910 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.819 -6.979 -7.254 1.00 0.00 C ATOM 0 H THR B 51 6.688 -10.854 -8.737 1.00 0.00 H new ATOM 0 HA THR B 51 5.890 -9.436 -6.265 1.00 0.00 H new ATOM 0 HB THR B 51 7.363 -8.440 -8.699 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.691 -9.610 -7.181 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.646 -6.308 -7.483 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.940 -6.679 -7.824 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.595 -6.928 -6.189 1.00 0.00 H new ATOM 1642 N PHE B 52 3.909 -8.380 -7.323 1.00 0.00 N ATOM 1643 CA PHE B 52 2.641 -7.928 -7.881 1.00 0.00 C ATOM 1644 C PHE B 52 2.648 -6.409 -8.028 1.00 0.00 C ATOM 1645 O PHE B 52 3.213 -5.712 -7.195 1.00 0.00 O ATOM 1646 CB PHE B 52 1.477 -8.339 -6.971 1.00 0.00 C ATOM 1647 CG PHE B 52 1.470 -9.791 -6.577 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.500 -10.325 -5.818 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.423 -10.620 -6.952 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.489 -11.656 -5.446 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.406 -11.952 -6.580 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.441 -12.469 -5.826 1.00 0.00 C ATOM 0 H PHE B 52 4.030 -8.169 -6.333 1.00 0.00 H new ATOM 0 HA PHE B 52 2.512 -8.392 -8.859 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.508 -7.731 -6.067 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.539 -8.109 -7.477 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.321 -9.693 -5.514 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.389 -10.220 -7.542 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.300 -12.059 -4.858 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.415 -12.587 -6.879 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.430 -13.509 -5.534 1.00 0.00 H new ATOM 1662 N THR B 53 2.007 -5.895 -9.068 1.00 0.00 N ATOM 1663 CA THR B 53 1.938 -4.450 -9.275 1.00 0.00 C ATOM 1664 C THR B 53 0.501 -3.959 -9.213 1.00 0.00 C ATOM 1665 O THR B 53 -0.355 -4.394 -9.984 1.00 0.00 O ATOM 1666 CB THR B 53 2.581 -4.044 -10.604 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.272 -4.976 -11.622 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.087 -3.900 -10.530 1.00 0.00 C ATOM 0 H THR B 53 1.530 -6.450 -9.778 1.00 0.00 H new ATOM 0 HA THR B 53 2.500 -3.979 -8.469 1.00 0.00 H new ATOM 0 HB THR B 53 2.161 -3.065 -10.837 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.599 -4.593 -12.223 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.473 -3.611 -11.507 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.344 -3.135 -9.797 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.529 -4.851 -10.232 1.00 0.00 H new ATOM 1676 N VAL B 54 0.252 -3.041 -8.289 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.073 -2.470 -8.111 1.00 0.00 C ATOM 1678 C VAL B 54 -1.142 -1.079 -8.729 1.00 0.00 C ATOM 1679 O VAL B 54 -0.580 -0.125 -8.193 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.455 -2.389 -6.618 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.862 -1.837 -6.450 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.334 -3.755 -5.960 1.00 0.00 C ATOM 0 H VAL B 54 0.956 -2.675 -7.648 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.782 -3.127 -8.615 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.761 -1.707 -6.126 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.110 -1.789 -5.390 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.914 -0.837 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.572 -2.489 -6.959 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.607 -3.677 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.001 -4.459 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.306 -4.109 -6.043 1.00 0.00 H new ATOM 1692 N THR B 55 -1.839 -0.971 -9.854 1.00 0.00 N ATOM 1693 CA THR B 55 -1.979 0.309 -10.532 1.00 0.00 C ATOM 1694 C THR B 55 -3.308 0.951 -10.163 1.00 0.00 C ATOM 1695 O THR B 55 -4.370 0.418 -10.486 1.00 0.00 O ATOM 1696 CB THR B 55 -1.875 0.136 -12.046 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.743 -0.646 -12.384 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.749 1.450 -12.783 1.00 0.00 C ATOM 0 H THR B 55 -2.313 -1.749 -10.312 1.00 0.00 H new ATOM 0 HA THR B 55 -1.168 0.962 -10.209 1.00 0.00 H new ATOM 0 HB THR B 55 -2.801 -0.354 -12.348 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.694 -0.747 -13.358 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.679 1.261 -13.854 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.625 2.067 -12.580 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.852 1.971 -12.447 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.246 2.083 -9.459 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.454 2.781 -9.018 1.00 0.00 C ATOM 1708 C GLU B 56 -5.529 2.781 -10.105 1.00 0.00 C ATOM 1709 O GLU B 56 -6.726 2.740 -9.752 1.00 0.00 O ATOM 1710 CB GLU B 56 -4.109 4.216 -8.605 1.00 0.00 C ATOM 1711 CG GLU B 56 -3.750 5.122 -9.770 1.00 0.00 C ATOM 1712 CD GLU B 56 -4.965 5.595 -10.551 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -6.100 5.378 -10.077 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -4.780 6.198 -11.628 1.00 0.00 O ATOM 1715 OXT GLU B 56 -5.163 2.827 -11.298 1.00 0.00 O ATOM 0 H GLU B 56 -2.374 2.535 -9.183 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.857 2.248 -8.157 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -4.958 4.644 -8.072 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.273 4.191 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -3.206 5.989 -9.395 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -3.077 4.590 -10.443 1.00 0.00 H new TER 1722 GLU B 56