USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 740 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 NoAdj-H: A 12 HIS HE2 : A 12 HIS NE2 : A 147 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 147 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HE2 : B 12 HIS NE2 : B 147 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 147 ZNZN :(H bumps) USER MOD Set 1.1: A 35 GLN :FLIP amide:sc= -1.93 F(o=-6.4,f=-3.9) USER MOD Set 1.2: B 35 GLN :FLIP amide:sc= -1.96 F(o=-6.4,f=-3.9) USER MOD Single : A 1 PHE N :NH3+ -171:sc= 0 (180deg=-0.0739) USER MOD Single : A 4 LYS NZ :NH3+ 163:sc= -0.0113 (180deg=-0.133) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -80:sc= -0.459 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc=-0.00244 (180deg=-0.196) USER MOD Single : A 30 ASN : amide:sc= -0.363 K(o=-0.36,f=-3.2!) USER MOD Single : A 38 ASN : amide:sc= -0.0825 K(o=-0.082,f=-1.8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.786 F(o=-1.4,f=-0.79) USER MOD Single : A 45 GLN : amide:sc= -0.0808 X(o=-0.081,f=-0.058) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ -171:sc= 0 (180deg=-0.0762) USER MOD Single : B 4 LYS NZ :NH3+ 163:sc= -0.0121 (180deg=-0.15) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot -79:sc= -0.474 USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 25 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.141) USER MOD Single : B 30 ASN : amide:sc= -0.359 K(o=-0.36,f=-3.1!) USER MOD Single : B 38 ASN : amide:sc= -0.0794 K(o=-0.079,f=-1.7!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : B 44 GLN :FLIP amide:sc= -0.851 F(o=-1.4,f=-0.85) USER MOD Single : B 45 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.051) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -2.437 -11.858 -9.991 1.00 0.00 N ATOM 2 CA PHE A 1 -2.886 -10.652 -9.246 1.00 0.00 C ATOM 3 C PHE A 1 -4.055 -9.974 -9.949 1.00 0.00 C ATOM 4 O PHE A 1 -5.000 -9.519 -9.308 1.00 0.00 O ATOM 5 CB PHE A 1 -1.705 -9.686 -9.130 1.00 0.00 C ATOM 6 CG PHE A 1 -2.007 -8.465 -8.308 1.00 0.00 C ATOM 7 CD1 PHE A 1 -2.075 -8.542 -6.927 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.224 -7.239 -8.920 1.00 0.00 C ATOM 9 CE1 PHE A 1 -2.352 -7.420 -6.169 1.00 0.00 C ATOM 10 CE2 PHE A 1 -2.500 -6.114 -8.168 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.564 -6.205 -6.790 1.00 0.00 C ATOM 0 H1 PHE A 1 -1.747 -12.384 -9.417 1.00 0.00 H new ATOM 0 H2 PHE A 1 -3.256 -12.467 -10.192 1.00 0.00 H new ATOM 0 H3 PHE A 1 -1.994 -11.568 -10.886 1.00 0.00 H new ATOM 0 HA PHE A 1 -3.229 -10.949 -8.255 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -0.858 -10.211 -8.688 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -1.401 -9.375 -10.129 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -1.910 -9.490 -6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -2.177 -7.164 -9.996 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -2.403 -7.493 -5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -2.666 -5.165 -8.656 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.780 -5.327 -6.200 1.00 0.00 H new ATOM 23 N LEU A 2 -3.983 -9.910 -11.274 1.00 0.00 N ATOM 24 CA LEU A 2 -5.036 -9.286 -12.070 1.00 0.00 C ATOM 25 C LEU A 2 -6.115 -10.290 -12.482 1.00 0.00 C ATOM 26 O LEU A 2 -6.892 -10.027 -13.398 1.00 0.00 O ATOM 27 CB LEU A 2 -4.437 -8.640 -13.318 1.00 0.00 C ATOM 28 CG LEU A 2 -3.525 -7.439 -13.059 1.00 0.00 C ATOM 29 CD1 LEU A 2 -3.076 -6.814 -14.370 1.00 0.00 C ATOM 30 CD2 LEU A 2 -4.232 -6.407 -12.191 1.00 0.00 C ATOM 0 H LEU A 2 -3.207 -10.282 -11.821 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.506 -8.525 -11.447 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.870 -9.396 -13.861 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.251 -8.323 -13.969 1.00 0.00 H new ATOM 0 HG LEU A 2 -2.641 -7.790 -12.526 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -2.428 -5.962 -14.164 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.529 -7.552 -14.956 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.948 -6.479 -14.931 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.567 -5.561 -12.018 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.134 -6.063 -12.697 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.501 -6.858 -11.236 1.00 0.00 H new ATOM 42 N GLU A 3 -6.165 -11.438 -11.809 1.00 0.00 N ATOM 43 CA GLU A 3 -7.155 -12.460 -12.124 1.00 0.00 C ATOM 44 C GLU A 3 -8.450 -12.224 -11.352 1.00 0.00 C ATOM 45 O GLU A 3 -9.516 -12.046 -11.946 1.00 0.00 O ATOM 46 CB GLU A 3 -6.603 -13.851 -11.802 1.00 0.00 C ATOM 47 CG GLU A 3 -5.921 -14.524 -12.983 1.00 0.00 C ATOM 48 CD GLU A 3 -5.392 -15.903 -12.644 1.00 0.00 C ATOM 49 OE1 GLU A 3 -4.966 -16.109 -11.487 1.00 0.00 O ATOM 50 OE2 GLU A 3 -5.403 -16.779 -13.534 1.00 0.00 O ATOM 0 H GLU A 3 -5.534 -11.681 -11.046 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.374 -12.400 -13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.891 -13.769 -10.981 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.419 -14.485 -11.455 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.628 -14.603 -13.809 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.098 -13.898 -13.327 1.00 0.00 H new ATOM 57 N LYS A 4 -8.353 -12.231 -10.027 1.00 0.00 N ATOM 58 CA LYS A 4 -9.517 -12.023 -9.170 1.00 0.00 C ATOM 59 C LYS A 4 -9.754 -10.538 -8.896 1.00 0.00 C ATOM 60 O LYS A 4 -10.873 -10.130 -8.589 1.00 0.00 O ATOM 61 CB LYS A 4 -9.340 -12.776 -7.850 1.00 0.00 C ATOM 62 CG LYS A 4 -8.861 -14.209 -8.022 1.00 0.00 C ATOM 63 CD LYS A 4 -8.112 -14.698 -6.792 1.00 0.00 C ATOM 64 CE LYS A 4 -7.120 -15.795 -7.145 1.00 0.00 C ATOM 65 NZ LYS A 4 -5.935 -15.259 -7.872 1.00 0.00 N ATOM 0 H LYS A 4 -7.479 -12.379 -9.521 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.390 -12.411 -9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.627 -12.236 -7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.290 -12.782 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.715 -14.859 -8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.211 -14.274 -8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.584 -13.864 -6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.824 -15.072 -6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.791 -16.295 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.614 -16.547 -7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.165 -15.957 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.192 -15.068 -8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.620 -14.377 -7.420 1.00 0.00 H new ATOM 79 N ILE A 5 -8.699 -9.733 -9.006 1.00 0.00 N ATOM 80 CA ILE A 5 -8.810 -8.300 -8.765 1.00 0.00 C ATOM 81 C ILE A 5 -9.523 -7.595 -9.922 1.00 0.00 C ATOM 82 O ILE A 5 -10.277 -6.647 -9.708 1.00 0.00 O ATOM 83 CB ILE A 5 -7.421 -7.662 -8.552 1.00 0.00 C ATOM 84 CG1 ILE A 5 -6.676 -8.386 -7.426 1.00 0.00 C ATOM 85 CG2 ILE A 5 -7.549 -6.177 -8.234 1.00 0.00 C ATOM 86 CD1 ILE A 5 -5.289 -7.840 -7.169 1.00 0.00 C ATOM 0 H ILE A 5 -7.763 -10.049 -9.259 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.401 -8.173 -7.858 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.851 -7.763 -9.475 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.261 -8.314 -6.509 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.601 -9.445 -7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.557 -5.749 -8.088 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.045 -5.669 -9.061 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.137 -6.049 -7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.822 -8.400 -6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.687 -7.937 -8.072 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.358 -6.789 -6.890 1.00 0.00 H new ATOM 98 N GLU A 6 -9.280 -8.063 -11.144 1.00 0.00 N ATOM 99 CA GLU A 6 -9.901 -7.469 -12.329 1.00 0.00 C ATOM 100 C GLU A 6 -11.427 -7.442 -12.193 1.00 0.00 C ATOM 101 O GLU A 6 -12.038 -6.374 -12.244 1.00 0.00 O ATOM 102 CB GLU A 6 -9.493 -8.245 -13.589 1.00 0.00 C ATOM 103 CG GLU A 6 -8.643 -7.432 -14.552 1.00 0.00 C ATOM 104 CD GLU A 6 -9.458 -6.430 -15.347 1.00 0.00 C ATOM 105 OE1 GLU A 6 -10.512 -6.822 -15.892 1.00 0.00 O ATOM 106 OE2 GLU A 6 -9.043 -5.255 -15.425 1.00 0.00 O ATOM 0 H GLU A 6 -8.660 -8.849 -11.341 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.549 -6.441 -12.418 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.941 -9.137 -13.294 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.392 -8.582 -14.106 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.871 -6.904 -13.992 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.133 -8.107 -15.239 1.00 0.00 H new ATOM 113 N PRO A 7 -12.071 -8.617 -12.015 1.00 0.00 N ATOM 114 CA PRO A 7 -13.529 -8.716 -11.867 1.00 0.00 C ATOM 115 C PRO A 7 -14.111 -7.629 -10.961 1.00 0.00 C ATOM 116 O PRO A 7 -15.205 -7.124 -11.203 1.00 0.00 O ATOM 117 CB PRO A 7 -13.711 -10.090 -11.227 1.00 0.00 C ATOM 118 CG PRO A 7 -12.581 -10.901 -11.759 1.00 0.00 C ATOM 119 CD PRO A 7 -11.426 -9.948 -11.943 1.00 0.00 C ATOM 0 HA PRO A 7 -14.044 -8.588 -12.819 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.678 -10.029 -10.139 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.673 -10.527 -11.493 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.318 -11.702 -11.068 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.851 -11.372 -12.704 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.723 -10.007 -11.112 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.865 -10.170 -12.851 1.00 0.00 H new ATOM 127 N ALA A 8 -13.363 -7.277 -9.919 1.00 0.00 N ATOM 128 CA ALA A 8 -13.798 -6.253 -8.977 1.00 0.00 C ATOM 129 C ALA A 8 -13.815 -4.878 -9.637 1.00 0.00 C ATOM 130 O ALA A 8 -14.694 -4.059 -9.364 1.00 0.00 O ATOM 131 CB ALA A 8 -12.891 -6.247 -7.756 1.00 0.00 C ATOM 0 H ALA A 8 -12.453 -7.686 -9.707 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.814 -6.486 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.225 -5.479 -7.059 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.931 -7.221 -7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.867 -6.037 -8.065 1.00 0.00 H new ATOM 137 N GLN A 9 -12.844 -4.637 -10.508 1.00 0.00 N ATOM 138 CA GLN A 9 -12.749 -3.365 -11.214 1.00 0.00 C ATOM 139 C GLN A 9 -13.948 -3.168 -12.135 1.00 0.00 C ATOM 140 O GLN A 9 -14.496 -2.069 -12.232 1.00 0.00 O ATOM 141 CB GLN A 9 -11.452 -3.303 -12.023 1.00 0.00 C ATOM 142 CG GLN A 9 -10.220 -3.017 -11.179 1.00 0.00 C ATOM 143 CD GLN A 9 -8.954 -2.933 -12.010 1.00 0.00 C ATOM 144 OE1 GLN A 9 -8.838 -2.097 -12.902 1.00 0.00 O ATOM 145 NE2 GLN A 9 -7.995 -3.805 -11.716 1.00 0.00 N ATOM 0 H GLN A 9 -12.110 -5.306 -10.743 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.745 -2.564 -10.475 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.313 -4.250 -12.544 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.546 -2.530 -12.786 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.361 -2.079 -10.642 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.107 -3.800 -10.429 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.134 -4.483 -10.966 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.120 -3.797 -12.240 1.00 0.00 H new ATOM 154 N GLU A 10 -14.353 -4.240 -12.808 1.00 0.00 N ATOM 155 CA GLU A 10 -15.490 -4.187 -13.718 1.00 0.00 C ATOM 156 C GLU A 10 -16.779 -3.914 -12.945 1.00 0.00 C ATOM 157 O GLU A 10 -17.699 -3.275 -13.458 1.00 0.00 O ATOM 158 CB GLU A 10 -15.605 -5.497 -14.505 1.00 0.00 C ATOM 159 CG GLU A 10 -15.658 -5.299 -16.011 1.00 0.00 C ATOM 160 CD GLU A 10 -16.917 -4.579 -16.461 1.00 0.00 C ATOM 161 OE1 GLU A 10 -16.979 -3.341 -16.307 1.00 0.00 O ATOM 162 OE2 GLU A 10 -17.838 -5.255 -16.966 1.00 0.00 O ATOM 0 H GLU A 10 -13.910 -5.156 -12.740 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.331 -3.372 -14.424 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.755 -6.134 -14.260 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.503 -6.026 -14.185 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.785 -4.730 -16.330 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.603 -6.270 -16.504 1.00 0.00 H new ATOM 169 N GLU A 11 -16.836 -4.401 -11.709 1.00 0.00 N ATOM 170 CA GLU A 11 -18.008 -4.209 -10.862 1.00 0.00 C ATOM 171 C GLU A 11 -18.159 -2.745 -10.474 1.00 0.00 C ATOM 172 O GLU A 11 -19.275 -2.230 -10.404 1.00 0.00 O ATOM 173 CB GLU A 11 -17.907 -5.082 -9.609 1.00 0.00 C ATOM 174 CG GLU A 11 -19.170 -5.081 -8.763 1.00 0.00 C ATOM 175 CD GLU A 11 -20.274 -5.928 -9.365 1.00 0.00 C ATOM 176 OE1 GLU A 11 -20.290 -7.151 -9.112 1.00 0.00 O ATOM 177 OE2 GLU A 11 -21.123 -5.369 -10.091 1.00 0.00 O ATOM 0 H GLU A 11 -16.083 -4.932 -11.272 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.891 -4.507 -11.427 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.680 -6.106 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.072 -4.735 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.935 -5.452 -7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.525 -4.057 -8.647 1.00 0.00 H new ATOM 184 N HIS A 12 -17.040 -2.071 -10.237 1.00 0.00 N ATOM 185 CA HIS A 12 -17.083 -0.664 -9.875 1.00 0.00 C ATOM 186 C HIS A 12 -17.467 0.179 -11.089 1.00 0.00 C ATOM 187 O HIS A 12 -18.194 1.160 -10.972 1.00 0.00 O ATOM 188 CB HIS A 12 -15.739 -0.181 -9.305 1.00 0.00 C ATOM 189 CG HIS A 12 -15.772 1.269 -8.934 1.00 0.00 C ATOM 190 ND1 HIS A 12 -15.703 1.748 -7.642 1.00 0.00 N ATOM 191 CD2 HIS A 12 -15.993 2.344 -9.722 1.00 0.00 C ATOM 192 CE1 HIS A 12 -15.902 3.075 -7.689 1.00 0.00 C ATOM 193 NE2 HIS A 12 -16.084 3.479 -8.931 1.00 0.00 N ATOM 0 H HIS A 12 -16.104 -2.472 -10.289 1.00 0.00 H new ATOM 0 HA HIS A 12 -17.837 -0.546 -9.097 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -15.485 -0.774 -8.426 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.953 -0.348 -10.041 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -15.532 1.194 -6.803 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.084 2.323 -10.798 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.912 3.724 -6.826 1.00 0.00 H new ATOM 201 N GLU A 13 -16.959 -0.201 -12.251 1.00 0.00 N ATOM 202 CA GLU A 13 -17.241 0.533 -13.478 1.00 0.00 C ATOM 203 C GLU A 13 -18.717 0.444 -13.878 1.00 0.00 C ATOM 204 O GLU A 13 -19.160 1.167 -14.771 1.00 0.00 O ATOM 205 CB GLU A 13 -16.364 0.006 -14.612 1.00 0.00 C ATOM 206 CG GLU A 13 -14.898 0.373 -14.463 1.00 0.00 C ATOM 207 CD GLU A 13 -14.245 0.725 -15.785 1.00 0.00 C ATOM 208 OE1 GLU A 13 -14.223 -0.142 -16.684 1.00 0.00 O ATOM 209 OE2 GLU A 13 -13.760 1.866 -15.923 1.00 0.00 O ATOM 0 H GLU A 13 -16.351 -1.011 -12.372 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.014 1.583 -13.291 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.456 -1.079 -14.658 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.734 0.398 -15.559 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.807 1.219 -13.781 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.363 -0.461 -14.009 1.00 0.00 H new ATOM 216 N LYS A 14 -19.477 -0.447 -13.240 1.00 0.00 N ATOM 217 CA LYS A 14 -20.887 -0.609 -13.575 1.00 0.00 C ATOM 218 C LYS A 14 -21.819 0.026 -12.537 1.00 0.00 C ATOM 219 O LYS A 14 -22.969 0.331 -12.845 1.00 0.00 O ATOM 220 CB LYS A 14 -21.219 -2.094 -13.732 1.00 0.00 C ATOM 221 CG LYS A 14 -22.430 -2.357 -14.610 1.00 0.00 C ATOM 222 CD LYS A 14 -22.706 -3.847 -14.742 1.00 0.00 C ATOM 223 CE LYS A 14 -21.699 -4.522 -15.658 1.00 0.00 C ATOM 224 NZ LYS A 14 -22.087 -4.410 -17.091 1.00 0.00 N ATOM 0 H LYS A 14 -19.142 -1.060 -12.497 1.00 0.00 H new ATOM 0 HA LYS A 14 -21.053 -0.087 -14.517 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.356 -2.608 -14.155 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -21.395 -2.525 -12.746 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -23.303 -1.860 -14.187 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -22.265 -1.927 -15.598 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.672 -4.313 -13.757 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.713 -3.998 -15.132 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -20.717 -4.072 -15.512 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -21.611 -5.574 -15.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.374 -4.883 -17.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -23.012 -4.862 -17.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -22.146 -3.406 -17.357 1.00 0.00 H new ATOM 238 N TYR A 15 -21.340 0.209 -11.306 1.00 0.00 N ATOM 239 CA TYR A 15 -22.180 0.789 -10.258 1.00 0.00 C ATOM 240 C TYR A 15 -21.383 1.637 -9.258 1.00 0.00 C ATOM 241 O TYR A 15 -21.859 1.907 -8.156 1.00 0.00 O ATOM 242 CB TYR A 15 -22.903 -0.328 -9.509 1.00 0.00 C ATOM 243 CG TYR A 15 -23.553 -1.352 -10.416 1.00 0.00 C ATOM 244 CD1 TYR A 15 -24.828 -1.141 -10.929 1.00 0.00 C ATOM 245 CD2 TYR A 15 -22.895 -2.531 -10.758 1.00 0.00 C ATOM 246 CE1 TYR A 15 -25.428 -2.073 -11.755 1.00 0.00 C ATOM 247 CE2 TYR A 15 -23.491 -3.465 -11.582 1.00 0.00 C ATOM 248 CZ TYR A 15 -24.757 -3.232 -12.078 1.00 0.00 C ATOM 249 OH TYR A 15 -25.352 -4.161 -12.901 1.00 0.00 O ATOM 0 H TYR A 15 -20.393 -0.031 -11.013 1.00 0.00 H new ATOM 0 HA TYR A 15 -22.894 1.451 -10.748 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -22.192 -0.834 -8.856 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -23.667 0.112 -8.868 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -25.358 -0.234 -10.678 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -21.903 -2.718 -10.373 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -26.419 -1.893 -12.146 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -22.968 -4.375 -11.837 1.00 0.00 H new ATOM 0 HH TYR A 15 -24.745 -4.920 -13.030 1.00 0.00 H new ATOM 259 N HIS A 16 -20.169 2.046 -9.640 1.00 0.00 N ATOM 260 CA HIS A 16 -19.291 2.856 -8.779 1.00 0.00 C ATOM 261 C HIS A 16 -19.316 2.391 -7.320 1.00 0.00 C ATOM 262 O HIS A 16 -19.372 3.204 -6.396 1.00 0.00 O ATOM 263 CB HIS A 16 -19.646 4.343 -8.864 1.00 0.00 C ATOM 264 CG HIS A 16 -19.397 4.947 -10.215 1.00 0.00 C ATOM 265 ND1 HIS A 16 -18.147 5.389 -10.607 1.00 0.00 N ATOM 266 CD2 HIS A 16 -20.273 5.166 -11.226 1.00 0.00 C ATOM 267 CE1 HIS A 16 -18.296 5.860 -11.831 1.00 0.00 C ATOM 268 NE2 HIS A 16 -19.566 5.746 -12.248 1.00 0.00 N ATOM 0 H HIS A 16 -19.765 1.828 -10.551 1.00 0.00 H new ATOM 0 HA HIS A 16 -18.277 2.715 -9.154 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -20.697 4.472 -8.607 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -19.066 4.889 -8.119 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -21.327 4.929 -11.227 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -17.497 6.283 -12.422 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -19.936 6.036 -13.153 1.00 0.00 H new ATOM 276 N SER A 17 -19.277 1.078 -7.125 1.00 0.00 N ATOM 277 CA SER A 17 -19.298 0.497 -5.788 1.00 0.00 C ATOM 278 C SER A 17 -18.124 1.002 -4.950 1.00 0.00 C ATOM 279 O SER A 17 -17.067 1.335 -5.485 1.00 0.00 O ATOM 280 CB SER A 17 -19.254 -1.030 -5.877 1.00 0.00 C ATOM 281 OG SER A 17 -20.495 -1.550 -6.321 1.00 0.00 O ATOM 0 H SER A 17 -19.230 0.393 -7.879 1.00 0.00 H new ATOM 0 HA SER A 17 -20.224 0.804 -5.301 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.462 -1.335 -6.561 1.00 0.00 H new ATOM 0 HB3 SER A 17 -19.009 -1.448 -4.900 1.00 0.00 H new ATOM 0 HG SER A 17 -20.441 -2.527 -6.371 1.00 0.00 H new ATOM 287 N ASN A 18 -18.318 1.054 -3.636 1.00 0.00 N ATOM 288 CA ASN A 18 -17.274 1.520 -2.727 1.00 0.00 C ATOM 289 C ASN A 18 -16.364 0.369 -2.309 1.00 0.00 C ATOM 290 O ASN A 18 -16.639 -0.792 -2.607 1.00 0.00 O ATOM 291 CB ASN A 18 -17.895 2.166 -1.489 1.00 0.00 C ATOM 292 CG ASN A 18 -18.422 3.559 -1.764 1.00 0.00 C ATOM 293 OD1 ASN A 18 -18.576 3.959 -2.917 1.00 0.00 O ATOM 294 ND2 ASN A 18 -18.701 4.307 -0.704 1.00 0.00 N ATOM 0 H ASN A 18 -19.186 0.780 -3.176 1.00 0.00 H new ATOM 0 HA ASN A 18 -16.675 2.263 -3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -18.709 1.539 -1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -17.150 2.213 -0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -19.058 5.254 -0.828 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.558 3.935 0.235 1.00 0.00 H new ATOM 301 N VAL A 19 -15.280 0.700 -1.611 1.00 0.00 N ATOM 302 CA VAL A 19 -14.325 -0.304 -1.146 1.00 0.00 C ATOM 303 C VAL A 19 -15.018 -1.380 -0.314 1.00 0.00 C ATOM 304 O VAL A 19 -14.814 -2.575 -0.532 1.00 0.00 O ATOM 305 CB VAL A 19 -13.204 0.338 -0.304 1.00 0.00 C ATOM 306 CG1 VAL A 19 -12.141 -0.690 0.062 1.00 0.00 C ATOM 307 CG2 VAL A 19 -12.582 1.504 -1.051 1.00 0.00 C ATOM 0 H VAL A 19 -15.040 1.658 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.888 -0.762 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.645 0.712 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.362 -0.212 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.596 -1.494 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.703 -1.101 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.793 1.946 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.160 1.150 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -13.346 2.254 -1.255 1.00 0.00 H new ATOM 317 N LYS A 20 -15.841 -0.947 0.635 1.00 0.00 N ATOM 318 CA LYS A 20 -16.571 -1.871 1.497 1.00 0.00 C ATOM 319 C LYS A 20 -17.419 -2.833 0.670 1.00 0.00 C ATOM 320 O LYS A 20 -17.651 -3.975 1.066 1.00 0.00 O ATOM 321 CB LYS A 20 -17.459 -1.099 2.476 1.00 0.00 C ATOM 322 CG LYS A 20 -18.021 -1.957 3.598 1.00 0.00 C ATOM 323 CD LYS A 20 -19.321 -2.639 3.190 1.00 0.00 C ATOM 324 CE LYS A 20 -20.526 -1.993 3.856 1.00 0.00 C ATOM 325 NZ LYS A 20 -20.790 -2.569 5.205 1.00 0.00 N ATOM 0 H LYS A 20 -16.020 0.039 0.827 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.842 -2.452 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.882 -0.282 2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.285 -0.649 1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.287 -2.712 3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.196 -1.337 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.434 -2.590 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.279 -3.694 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.359 -0.920 3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.405 -2.127 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.619 -2.102 5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.974 -3.589 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.961 -2.418 5.815 1.00 0.00 H new ATOM 339 N GLU A 21 -17.877 -2.364 -0.487 1.00 0.00 N ATOM 340 CA GLU A 21 -18.690 -3.181 -1.374 1.00 0.00 C ATOM 341 C GLU A 21 -17.816 -4.146 -2.169 1.00 0.00 C ATOM 342 O GLU A 21 -18.132 -5.330 -2.288 1.00 0.00 O ATOM 343 CB GLU A 21 -19.491 -2.291 -2.327 1.00 0.00 C ATOM 344 CG GLU A 21 -20.454 -3.058 -3.217 1.00 0.00 C ATOM 345 CD GLU A 21 -21.792 -2.362 -3.366 1.00 0.00 C ATOM 346 OE1 GLU A 21 -22.197 -1.649 -2.424 1.00 0.00 O ATOM 347 OE2 GLU A 21 -22.434 -2.528 -4.424 1.00 0.00 O ATOM 0 H GLU A 21 -17.697 -1.420 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.383 -3.763 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.053 -1.562 -1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.798 -1.731 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.006 -3.190 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.611 -4.054 -2.802 1.00 0.00 H new ATOM 354 N LEU A 22 -16.710 -3.635 -2.703 1.00 0.00 N ATOM 355 CA LEU A 22 -15.788 -4.456 -3.480 1.00 0.00 C ATOM 356 C LEU A 22 -15.063 -5.449 -2.576 1.00 0.00 C ATOM 357 O LEU A 22 -14.725 -6.555 -2.998 1.00 0.00 O ATOM 358 CB LEU A 22 -14.758 -3.580 -4.205 1.00 0.00 C ATOM 359 CG LEU A 22 -15.245 -2.887 -5.486 1.00 0.00 C ATOM 360 CD1 LEU A 22 -16.005 -3.853 -6.383 1.00 0.00 C ATOM 361 CD2 LEU A 22 -16.108 -1.683 -5.146 1.00 0.00 C ATOM 0 H LEU A 22 -16.431 -2.658 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 22 -16.371 -5.004 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.410 -2.814 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.897 -4.199 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.368 -2.543 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.336 -3.332 -7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.352 -4.680 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -16.872 -4.241 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.444 -1.205 -6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -16.974 -2.007 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.526 -0.972 -4.559 1.00 0.00 H new ATOM 373 N SER A 23 -14.825 -5.043 -1.332 1.00 0.00 N ATOM 374 CA SER A 23 -14.135 -5.894 -0.370 1.00 0.00 C ATOM 375 C SER A 23 -15.079 -6.940 0.214 1.00 0.00 C ATOM 376 O SER A 23 -14.694 -8.090 0.422 1.00 0.00 O ATOM 377 CB SER A 23 -13.537 -5.044 0.752 1.00 0.00 C ATOM 378 OG SER A 23 -12.540 -4.170 0.253 1.00 0.00 O ATOM 0 H SER A 23 -15.100 -4.131 -0.968 1.00 0.00 H new ATOM 0 HA SER A 23 -13.332 -6.413 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.325 -4.465 1.233 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.107 -5.693 1.515 1.00 0.00 H new ATOM 0 HG SER A 23 -11.700 -4.662 0.139 1.00 0.00 H new ATOM 384 N HIS A 24 -16.315 -6.532 0.479 1.00 0.00 N ATOM 385 CA HIS A 24 -17.310 -7.435 1.041 1.00 0.00 C ATOM 386 C HIS A 24 -17.829 -8.406 -0.019 1.00 0.00 C ATOM 387 O HIS A 24 -18.222 -9.529 0.297 1.00 0.00 O ATOM 388 CB HIS A 24 -18.475 -6.634 1.632 1.00 0.00 C ATOM 389 CG HIS A 24 -19.537 -7.487 2.252 1.00 0.00 C ATOM 390 ND1 HIS A 24 -19.413 -7.971 3.532 1.00 0.00 N ATOM 391 CD2 HIS A 24 -20.710 -7.916 1.727 1.00 0.00 C ATOM 392 CE1 HIS A 24 -20.504 -8.680 3.757 1.00 0.00 C ATOM 393 NE2 HIS A 24 -21.321 -8.676 2.693 1.00 0.00 N ATOM 0 H HIS A 24 -16.651 -5.583 0.314 1.00 0.00 H new ATOM 0 HA HIS A 24 -16.834 -8.014 1.833 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.088 -5.947 2.384 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -18.922 -6.026 0.846 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -21.091 -7.701 0.739 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -20.712 -9.198 4.681 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -22.223 -9.147 2.617 1.00 0.00 H new ATOM 401 N LYS A 25 -17.830 -7.966 -1.272 1.00 0.00 N ATOM 402 CA LYS A 25 -18.306 -8.796 -2.372 1.00 0.00 C ATOM 403 C LYS A 25 -17.242 -9.798 -2.810 1.00 0.00 C ATOM 404 O LYS A 25 -17.483 -11.006 -2.821 1.00 0.00 O ATOM 405 CB LYS A 25 -18.711 -7.917 -3.558 1.00 0.00 C ATOM 406 CG LYS A 25 -19.598 -8.623 -4.571 1.00 0.00 C ATOM 407 CD LYS A 25 -18.808 -9.613 -5.409 1.00 0.00 C ATOM 408 CE LYS A 25 -19.594 -10.058 -6.633 1.00 0.00 C ATOM 409 NZ LYS A 25 -20.976 -10.486 -6.279 1.00 0.00 N ATOM 0 H LYS A 25 -17.507 -7.040 -1.551 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.175 -9.353 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.233 -7.036 -3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -17.811 -7.564 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.402 -9.145 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.066 -7.885 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -17.869 -9.157 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.553 -10.482 -4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.640 -9.240 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.072 -10.882 -7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.409 -10.968 -7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.941 -11.137 -5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.544 -9.652 -6.029 1.00 0.00 H new ATOM 423 N PHE A 26 -16.070 -9.293 -3.180 1.00 0.00 N ATOM 424 CA PHE A 26 -14.976 -10.149 -3.630 1.00 0.00 C ATOM 425 C PHE A 26 -14.046 -10.551 -2.482 1.00 0.00 C ATOM 426 O PHE A 26 -12.979 -11.119 -2.714 1.00 0.00 O ATOM 427 CB PHE A 26 -14.179 -9.442 -4.726 1.00 0.00 C ATOM 428 CG PHE A 26 -15.005 -9.096 -5.930 1.00 0.00 C ATOM 429 CD1 PHE A 26 -15.666 -7.880 -6.004 1.00 0.00 C ATOM 430 CD2 PHE A 26 -15.124 -9.985 -6.983 1.00 0.00 C ATOM 431 CE1 PHE A 26 -16.431 -7.558 -7.109 1.00 0.00 C ATOM 432 CE2 PHE A 26 -15.889 -9.670 -8.093 1.00 0.00 C ATOM 433 CZ PHE A 26 -16.543 -8.454 -8.155 1.00 0.00 C ATOM 0 H PHE A 26 -15.852 -8.296 -3.178 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.417 -11.063 -4.026 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -13.744 -8.530 -4.318 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.351 -10.081 -5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.582 -7.176 -5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.614 -10.936 -6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.941 -6.607 -7.155 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.975 -10.373 -8.909 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.140 -8.205 -9.019 1.00 0.00 H new ATOM 443 N GLY A 27 -14.451 -10.268 -1.242 1.00 0.00 N ATOM 444 CA GLY A 27 -13.633 -10.626 -0.092 1.00 0.00 C ATOM 445 C GLY A 27 -12.207 -10.109 -0.183 1.00 0.00 C ATOM 446 O GLY A 27 -11.291 -10.704 0.388 1.00 0.00 O ATOM 0 H GLY A 27 -15.328 -9.799 -1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.098 -10.232 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.613 -11.711 0.007 1.00 0.00 H new ATOM 450 N ILE A 28 -12.017 -9.006 -0.899 1.00 0.00 N ATOM 451 CA ILE A 28 -10.690 -8.421 -1.052 1.00 0.00 C ATOM 452 C ILE A 28 -10.425 -7.366 0.025 1.00 0.00 C ATOM 453 O ILE A 28 -11.316 -6.587 0.360 1.00 0.00 O ATOM 454 CB ILE A 28 -10.513 -7.770 -2.437 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.591 -6.712 -2.675 1.00 0.00 C ATOM 456 CG2 ILE A 28 -10.552 -8.829 -3.529 1.00 0.00 C ATOM 457 CD1 ILE A 28 -11.380 -5.909 -3.940 1.00 0.00 C ATOM 0 H ILE A 28 -12.761 -8.501 -1.380 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.975 -9.237 -0.948 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.540 -7.279 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.564 -7.201 -2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.617 -6.033 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.426 -8.354 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.747 -9.547 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.511 -9.346 -3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.182 -5.178 -4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.422 -5.392 -3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.384 -6.578 -4.801 1.00 0.00 H new ATOM 469 N PRO A 29 -9.199 -7.317 0.585 1.00 0.00 N ATOM 470 CA PRO A 29 -8.854 -6.338 1.620 1.00 0.00 C ATOM 471 C PRO A 29 -9.102 -4.903 1.161 1.00 0.00 C ATOM 472 O PRO A 29 -9.327 -4.651 -0.023 1.00 0.00 O ATOM 473 CB PRO A 29 -7.357 -6.573 1.877 1.00 0.00 C ATOM 474 CG PRO A 29 -6.878 -7.387 0.722 1.00 0.00 C ATOM 475 CD PRO A 29 -8.059 -8.191 0.262 1.00 0.00 C ATOM 0 HA PRO A 29 -9.467 -6.465 2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.817 -5.628 1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.198 -7.097 2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.506 -6.747 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.055 -8.037 1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.008 -8.410 -0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.123 -9.147 0.781 1.00 0.00 H new ATOM 483 N ASN A 30 -9.067 -3.972 2.107 1.00 0.00 N ATOM 484 CA ASN A 30 -9.294 -2.563 1.802 1.00 0.00 C ATOM 485 C ASN A 30 -8.242 -2.031 0.834 1.00 0.00 C ATOM 486 O ASN A 30 -8.518 -1.133 0.038 1.00 0.00 O ATOM 487 CB ASN A 30 -9.289 -1.737 3.092 1.00 0.00 C ATOM 488 CG ASN A 30 -10.406 -0.713 3.128 1.00 0.00 C ATOM 489 OD1 ASN A 30 -10.186 0.473 2.886 1.00 0.00 O ATOM 490 ND2 ASN A 30 -11.614 -1.169 3.434 1.00 0.00 N ATOM 0 H ASN A 30 -8.884 -4.166 3.091 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.269 -2.474 1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.385 -2.405 3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.330 -1.228 3.190 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.406 -0.527 3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.751 -2.161 3.627 1.00 0.00 H new ATOM 497 N LEU A 31 -7.037 -2.585 0.909 1.00 0.00 N ATOM 498 CA LEU A 31 -5.946 -2.157 0.040 1.00 0.00 C ATOM 499 C LEU A 31 -6.295 -2.361 -1.426 1.00 0.00 C ATOM 500 O LEU A 31 -6.380 -1.401 -2.194 1.00 0.00 O ATOM 501 CB LEU A 31 -4.664 -2.917 0.381 1.00 0.00 C ATOM 502 CG LEU A 31 -3.946 -2.436 1.641 1.00 0.00 C ATOM 503 CD1 LEU A 31 -3.705 -0.934 1.581 1.00 0.00 C ATOM 504 CD2 LEU A 31 -4.751 -2.802 2.878 1.00 0.00 C ATOM 0 H LEU A 31 -6.791 -3.330 1.561 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.786 -1.092 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.906 -3.973 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.978 -2.839 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.977 -2.932 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.193 -0.611 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.089 -0.699 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.660 -0.415 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.228 -2.454 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.733 -2.331 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.870 -3.884 2.927 1.00 0.00 H new ATOM 516 N VAL A 32 -6.496 -3.616 -1.812 1.00 0.00 N ATOM 517 CA VAL A 32 -6.835 -3.942 -3.192 1.00 0.00 C ATOM 518 C VAL A 32 -8.114 -3.231 -3.625 1.00 0.00 C ATOM 519 O VAL A 32 -8.207 -2.735 -4.747 1.00 0.00 O ATOM 520 CB VAL A 32 -7.004 -5.464 -3.389 1.00 0.00 C ATOM 521 CG1 VAL A 32 -7.236 -5.794 -4.856 1.00 0.00 C ATOM 522 CG2 VAL A 32 -5.791 -6.211 -2.858 1.00 0.00 C ATOM 0 H VAL A 32 -6.430 -4.422 -1.191 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.007 -3.599 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.879 -5.786 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.352 -6.871 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.139 -5.292 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.383 -5.456 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.930 -7.282 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.899 -5.883 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.673 -6.004 -1.794 1.00 0.00 H new ATOM 532 N ALA A 33 -9.095 -3.178 -2.728 1.00 0.00 N ATOM 533 CA ALA A 33 -10.362 -2.518 -3.026 1.00 0.00 C ATOM 534 C ALA A 33 -10.170 -1.018 -3.198 1.00 0.00 C ATOM 535 O ALA A 33 -10.770 -0.403 -4.080 1.00 0.00 O ATOM 536 CB ALA A 33 -11.382 -2.796 -1.932 1.00 0.00 C ATOM 0 H ALA A 33 -9.037 -3.582 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.737 -2.924 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.320 -2.295 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.553 -3.870 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.005 -2.422 -0.980 1.00 0.00 H new ATOM 542 N ARG A 34 -9.330 -0.426 -2.350 1.00 0.00 N ATOM 543 CA ARG A 34 -9.061 1.007 -2.419 1.00 0.00 C ATOM 544 C ARG A 34 -8.501 1.381 -3.786 1.00 0.00 C ATOM 545 O ARG A 34 -8.893 2.387 -4.376 1.00 0.00 O ATOM 546 CB ARG A 34 -8.084 1.423 -1.313 1.00 0.00 C ATOM 547 CG ARG A 34 -8.769 1.991 -0.083 1.00 0.00 C ATOM 548 CD ARG A 34 -7.891 1.864 1.153 1.00 0.00 C ATOM 549 NE ARG A 34 -6.745 2.770 1.106 1.00 0.00 N ATOM 550 CZ ARG A 34 -6.047 3.149 2.179 1.00 0.00 C ATOM 551 NH1 ARG A 34 -6.372 2.707 3.389 1.00 0.00 N ATOM 552 NH2 ARG A 34 -5.020 3.976 2.040 1.00 0.00 N ATOM 0 H ARG A 34 -8.826 -0.916 -1.610 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.001 1.540 -2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.489 0.558 -1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.393 2.166 -1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.011 3.040 -0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.711 1.469 0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.484 2.076 2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.538 0.837 1.243 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.461 3.135 0.197 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.162 2.072 3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.832 3.003 4.202 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.765 4.321 1.115 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.485 4.267 2.858 1.00 0.00 H new ATOM 566 N GLN A 35 -7.588 0.555 -4.288 1.00 0.00 N ATOM 567 CA GLN A 35 -6.981 0.791 -5.593 1.00 0.00 C ATOM 568 C GLN A 35 -8.041 0.835 -6.694 1.00 0.00 C ATOM 569 O GLN A 35 -7.833 1.444 -7.743 1.00 0.00 O ATOM 570 CB GLN A 35 -5.950 -0.295 -5.902 1.00 0.00 C ATOM 571 CG GLN A 35 -4.880 -0.435 -4.832 1.00 0.00 C ATOM 572 CD GLN A 35 -4.398 -1.863 -4.669 1.00 0.00 C ATOM 573 OE1 GLN A 35 -4.126 -2.257 -3.431 1.00 0.00 O flip ATOM 574 NE2 GLN A 35 -4.276 -2.605 -5.644 1.00 0.00 N flip ATOM 0 H GLN A 35 -7.253 -0.282 -3.812 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.481 1.759 -5.562 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.463 -1.250 -6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.472 -0.071 -6.856 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.033 0.203 -5.085 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.275 -0.078 -3.881 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.497 -2.260 -6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.954 -3.565 -5.517 1.00 0.00 H new ATOM 583 N ILE A 36 -9.182 0.190 -6.448 1.00 0.00 N ATOM 584 CA ILE A 36 -10.267 0.165 -7.420 1.00 0.00 C ATOM 585 C ILE A 36 -10.921 1.538 -7.532 1.00 0.00 C ATOM 586 O ILE A 36 -10.945 2.141 -8.606 1.00 0.00 O ATOM 587 CB ILE A 36 -11.343 -0.870 -7.045 1.00 0.00 C ATOM 588 CG1 ILE A 36 -10.698 -2.225 -6.743 1.00 0.00 C ATOM 589 CG2 ILE A 36 -12.370 -1.001 -8.162 1.00 0.00 C ATOM 590 CD1 ILE A 36 -10.062 -2.884 -7.946 1.00 0.00 C ATOM 0 H ILE A 36 -9.375 -0.320 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.829 -0.115 -8.378 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.857 -0.526 -6.147 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.940 -2.091 -5.971 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.455 -2.893 -6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.123 -1.737 -7.880 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.850 -0.037 -8.330 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.873 -1.323 -9.077 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.627 -3.839 -7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.819 -3.052 -8.712 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.280 -2.237 -8.344 1.00 0.00 H new ATOM 602 N VAL A 37 -11.446 2.026 -6.414 1.00 0.00 N ATOM 603 CA VAL A 37 -12.098 3.328 -6.380 1.00 0.00 C ATOM 604 C VAL A 37 -11.117 4.433 -6.767 1.00 0.00 C ATOM 605 O VAL A 37 -11.482 5.392 -7.444 1.00 0.00 O ATOM 606 CB VAL A 37 -12.684 3.626 -4.984 1.00 0.00 C ATOM 607 CG1 VAL A 37 -13.430 4.953 -4.977 1.00 0.00 C ATOM 608 CG2 VAL A 37 -13.599 2.494 -4.536 1.00 0.00 C ATOM 0 H VAL A 37 -11.432 1.538 -5.518 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.914 3.302 -7.102 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.856 3.701 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.833 5.139 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.745 5.757 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.247 4.915 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.003 2.721 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.418 2.385 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.032 1.564 -4.490 1.00 0.00 H new ATOM 618 N ASN A 38 -9.869 4.285 -6.334 1.00 0.00 N ATOM 619 CA ASN A 38 -8.836 5.268 -6.637 1.00 0.00 C ATOM 620 C ASN A 38 -8.600 5.351 -8.141 1.00 0.00 C ATOM 621 O ASN A 38 -8.332 6.425 -8.679 1.00 0.00 O ATOM 622 CB ASN A 38 -7.534 4.911 -5.921 1.00 0.00 C ATOM 623 CG ASN A 38 -7.549 5.312 -4.459 1.00 0.00 C ATOM 624 OD1 ASN A 38 -8.459 6.004 -4.003 1.00 0.00 O ATOM 625 ND2 ASN A 38 -6.539 4.877 -3.715 1.00 0.00 N ATOM 0 H ASN A 38 -9.549 3.495 -5.773 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.176 6.241 -6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.363 3.837 -5.999 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.700 5.404 -6.421 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.496 5.114 -2.724 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.806 4.305 -4.135 1.00 0.00 H new ATOM 632 N SER A 39 -8.704 4.210 -8.815 1.00 0.00 N ATOM 633 CA SER A 39 -8.505 4.155 -10.258 1.00 0.00 C ATOM 634 C SER A 39 -9.611 4.909 -10.987 1.00 0.00 C ATOM 635 O SER A 39 -9.389 5.477 -12.056 1.00 0.00 O ATOM 636 CB SER A 39 -8.459 2.702 -10.735 1.00 0.00 C ATOM 637 OG SER A 39 -8.404 2.631 -12.150 1.00 0.00 O ATOM 0 H SER A 39 -8.925 3.312 -8.385 1.00 0.00 H new ATOM 0 HA SER A 39 -7.552 4.633 -10.487 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.589 2.203 -10.309 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.339 2.170 -10.375 1.00 0.00 H new ATOM 0 HG SER A 39 -8.374 1.692 -12.430 1.00 0.00 H new ATOM 643 N CYS A 40 -10.804 4.911 -10.401 1.00 0.00 N ATOM 644 CA CYS A 40 -11.945 5.597 -10.995 1.00 0.00 C ATOM 645 C CYS A 40 -11.712 7.103 -11.037 1.00 0.00 C ATOM 646 O CYS A 40 -11.406 7.724 -10.018 1.00 0.00 O ATOM 647 CB CYS A 40 -13.221 5.289 -10.210 1.00 0.00 C ATOM 648 SG CYS A 40 -14.710 6.033 -10.913 1.00 0.00 S ATOM 0 H CYS A 40 -11.005 4.446 -9.516 1.00 0.00 H new ATOM 0 HA CYS A 40 -12.061 5.236 -12.017 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -13.355 4.208 -10.162 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -13.100 5.641 -9.186 1.00 0.00 H new ATOM 653 N ALA A 41 -11.858 7.686 -12.223 1.00 0.00 N ATOM 654 CA ALA A 41 -11.663 9.120 -12.400 1.00 0.00 C ATOM 655 C ALA A 41 -12.894 9.908 -11.957 1.00 0.00 C ATOM 656 O ALA A 41 -12.787 11.059 -11.535 1.00 0.00 O ATOM 657 CB ALA A 41 -11.334 9.429 -13.852 1.00 0.00 C ATOM 0 H ALA A 41 -12.111 7.187 -13.076 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.827 9.426 -11.772 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.191 10.503 -13.972 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.421 8.907 -14.137 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.155 9.099 -14.489 1.00 0.00 H new ATOM 663 N GLN A 42 -14.062 9.282 -12.058 1.00 0.00 N ATOM 664 CA GLN A 42 -15.312 9.927 -11.670 1.00 0.00 C ATOM 665 C GLN A 42 -15.500 9.925 -10.151 1.00 0.00 C ATOM 666 O GLN A 42 -16.294 10.701 -9.620 1.00 0.00 O ATOM 667 CB GLN A 42 -16.496 9.227 -12.339 1.00 0.00 C ATOM 668 CG GLN A 42 -16.754 9.695 -13.765 1.00 0.00 C ATOM 669 CD GLN A 42 -18.117 10.340 -13.934 1.00 0.00 C ATOM 670 OE1 GLN A 42 -18.514 11.198 -13.144 1.00 0.00 O ATOM 671 NE2 GLN A 42 -18.841 9.929 -14.968 1.00 0.00 N ATOM 0 H GLN A 42 -14.169 8.329 -12.405 1.00 0.00 H new ATOM 0 HA GLN A 42 -15.266 10.964 -12.003 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -16.316 8.152 -12.345 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -17.392 9.396 -11.742 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -15.981 10.407 -14.054 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -16.673 8.845 -14.442 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -18.473 9.216 -15.597 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -19.766 10.326 -15.133 1.00 0.00 H new ATOM 680 N CYS A 43 -14.779 9.048 -9.455 1.00 0.00 N ATOM 681 CA CYS A 43 -14.888 8.958 -8.006 1.00 0.00 C ATOM 682 C CYS A 43 -13.715 9.647 -7.312 1.00 0.00 C ATOM 683 O CYS A 43 -13.859 10.167 -6.206 1.00 0.00 O ATOM 684 CB CYS A 43 -14.961 7.492 -7.570 1.00 0.00 C ATOM 685 SG CYS A 43 -16.603 6.753 -7.747 1.00 0.00 S ATOM 0 H CYS A 43 -14.117 8.394 -9.872 1.00 0.00 H new ATOM 0 HA CYS A 43 -15.804 9.470 -7.711 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -14.248 6.913 -8.157 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -14.651 7.418 -6.528 1.00 0.00 H new ATOM 690 N GLN A 44 -12.554 9.648 -7.961 1.00 0.00 N ATOM 691 CA GLN A 44 -11.366 10.276 -7.391 1.00 0.00 C ATOM 692 C GLN A 44 -11.607 11.760 -7.121 1.00 0.00 C ATOM 693 O GLN A 44 -11.216 12.282 -6.077 1.00 0.00 O ATOM 694 CB GLN A 44 -10.157 10.091 -8.320 1.00 0.00 C ATOM 695 CG GLN A 44 -10.232 10.898 -9.607 1.00 0.00 C ATOM 696 CD GLN A 44 -8.978 10.766 -10.452 1.00 0.00 C ATOM 697 OE1 GLN A 44 -8.666 9.542 -10.865 1.00 0.00 O flip ATOM 698 NE2 GLN A 44 -8.298 11.753 -10.731 1.00 0.00 N flip ATOM 0 H GLN A 44 -12.411 9.223 -8.877 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.152 9.787 -6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.252 10.371 -7.781 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.064 9.034 -8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.094 10.569 -10.188 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.393 11.948 -9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.574 12.675 -10.393 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.458 11.649 -11.300 1.00 0.00 H new ATOM 707 N GLN A 45 -12.254 12.430 -8.069 1.00 0.00 N ATOM 708 CA GLN A 45 -12.549 13.852 -7.936 1.00 0.00 C ATOM 709 C GLN A 45 -13.905 14.070 -7.276 1.00 0.00 C ATOM 710 O GLN A 45 -14.732 13.160 -7.213 1.00 0.00 O ATOM 711 CB GLN A 45 -12.517 14.533 -9.304 1.00 0.00 C ATOM 712 CG GLN A 45 -11.119 14.912 -9.762 1.00 0.00 C ATOM 713 CD GLN A 45 -10.964 14.861 -11.269 1.00 0.00 C ATOM 714 OE1 GLN A 45 -10.555 15.838 -11.897 1.00 0.00 O ATOM 715 NE2 GLN A 45 -11.293 13.719 -11.860 1.00 0.00 N ATOM 0 H GLN A 45 -12.584 12.011 -8.938 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.783 14.296 -7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.964 13.868 -10.042 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -13.134 15.431 -9.268 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.886 15.917 -9.411 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.395 14.238 -9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.628 12.934 -11.302 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.211 13.627 -12.872 1.00 0.00 H new ATOM 724 N LYS A 46 -14.128 15.285 -6.786 1.00 0.00 N ATOM 725 CA LYS A 46 -15.386 15.630 -6.131 1.00 0.00 C ATOM 726 C LYS A 46 -16.004 16.873 -6.762 1.00 0.00 C ATOM 727 O LYS A 46 -17.235 17.041 -6.654 1.00 0.00 O ATOM 728 CB LYS A 46 -15.160 15.862 -4.636 1.00 0.00 C ATOM 729 CG LYS A 46 -14.514 14.681 -3.930 1.00 0.00 C ATOM 730 CD LYS A 46 -15.550 13.812 -3.236 1.00 0.00 C ATOM 731 CE LYS A 46 -14.891 12.704 -2.427 1.00 0.00 C ATOM 732 NZ LYS A 46 -15.891 11.743 -1.884 1.00 0.00 N ATOM 733 OXT LYS A 46 -15.249 17.668 -7.362 1.00 0.00 O ATOM 0 H LYS A 46 -13.453 16.049 -6.830 1.00 0.00 H new ATOM 0 HA LYS A 46 -16.076 14.796 -6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.531 16.742 -4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.117 16.080 -4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.961 14.082 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.793 15.044 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.164 14.429 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -16.217 13.375 -3.979 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.179 12.170 -3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.325 13.142 -1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.402 11.004 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.556 12.247 -1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.414 11.306 -2.669 1.00 0.00 H new TER 747 LYS A 46 ATOM 748 N PHE B 1 -3.124 -11.822 2.193 1.00 0.00 N ATOM 749 CA PHE B 1 -2.672 -10.624 1.439 1.00 0.00 C ATOM 750 C PHE B 1 -1.495 -9.947 2.135 1.00 0.00 C ATOM 751 O PHE B 1 -0.549 -9.504 1.487 1.00 0.00 O ATOM 752 CB PHE B 1 -3.847 -9.651 1.323 1.00 0.00 C ATOM 753 CG PHE B 1 -3.542 -8.436 0.494 1.00 0.00 C ATOM 754 CD1 PHE B 1 -3.480 -8.522 -0.887 1.00 0.00 C ATOM 755 CD2 PHE B 1 -3.317 -7.209 1.097 1.00 0.00 C ATOM 756 CE1 PHE B 1 -3.200 -7.406 -1.653 1.00 0.00 C ATOM 757 CE2 PHE B 1 -3.036 -6.090 0.336 1.00 0.00 C ATOM 758 CZ PHE B 1 -2.977 -6.188 -1.039 1.00 0.00 C ATOM 0 H1 PHE B 1 -3.819 -12.348 1.625 1.00 0.00 H new ATOM 0 H2 PHE B 1 -2.308 -12.434 2.394 1.00 0.00 H new ATOM 0 H3 PHE B 1 -3.562 -11.524 3.088 1.00 0.00 H new ATOM 0 HA PHE B 1 -2.336 -10.929 0.448 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -4.699 -10.173 0.887 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -4.145 -9.333 2.322 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -3.652 -9.472 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -3.362 -7.126 2.173 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -3.156 -7.486 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -2.863 -5.139 0.818 1.00 0.00 H new ATOM 0 HZ PHE B 1 -2.757 -5.314 -1.635 1.00 0.00 H new ATOM 770 N LEU B 2 -1.564 -9.874 3.461 1.00 0.00 N ATOM 771 CA LEU B 2 -0.505 -9.251 4.247 1.00 0.00 C ATOM 772 C LEU B 2 0.571 -10.260 4.663 1.00 0.00 C ATOM 773 O LEU B 2 1.353 -9.995 5.574 1.00 0.00 O ATOM 774 CB LEU B 2 -1.097 -8.596 5.495 1.00 0.00 C ATOM 775 CG LEU B 2 -2.003 -7.390 5.231 1.00 0.00 C ATOM 776 CD1 LEU B 2 -2.442 -6.756 6.542 1.00 0.00 C ATOM 777 CD2 LEU B 2 -1.293 -6.368 4.355 1.00 0.00 C ATOM 0 H LEU B 2 -2.341 -10.238 4.013 1.00 0.00 H new ATOM 0 HA LEU B 2 -0.033 -8.497 3.617 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -1.668 -9.346 6.043 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -0.279 -8.281 6.143 1.00 0.00 H new ATOM 0 HG LEU B 2 -2.891 -7.737 4.702 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -3.085 -5.901 6.335 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -2.991 -7.488 7.134 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -1.565 -6.424 7.098 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -1.953 -5.519 4.179 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -0.387 -6.026 4.856 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -1.029 -6.826 3.402 1.00 0.00 H new ATOM 789 N GLU B 3 0.612 -11.411 3.997 1.00 0.00 N ATOM 790 CA GLU B 3 1.598 -12.438 4.315 1.00 0.00 C ATOM 791 C GLU B 3 2.891 -12.214 3.537 1.00 0.00 C ATOM 792 O GLU B 3 3.959 -12.038 4.125 1.00 0.00 O ATOM 793 CB GLU B 3 1.035 -13.828 4.005 1.00 0.00 C ATOM 794 CG GLU B 3 0.357 -14.490 5.191 1.00 0.00 C ATOM 795 CD GLU B 3 -0.182 -15.869 4.861 1.00 0.00 C ATOM 796 OE1 GLU B 3 -0.610 -16.077 3.707 1.00 0.00 O ATOM 797 OE2 GLU B 3 -0.172 -16.740 5.754 1.00 0.00 O ATOM 0 H GLU B 3 -0.023 -11.655 3.237 1.00 0.00 H new ATOM 0 HA GLU B 3 1.822 -12.373 5.380 1.00 0.00 H new ATOM 0 HB2 GLU B 3 0.319 -13.746 3.187 1.00 0.00 H new ATOM 0 HB3 GLU B 3 1.845 -14.469 3.656 1.00 0.00 H new ATOM 0 HG2 GLU B 3 1.068 -14.569 6.013 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -0.461 -13.858 5.537 1.00 0.00 H new ATOM 804 N LYS B 4 2.789 -12.227 2.212 1.00 0.00 N ATOM 805 CA LYS B 4 3.950 -12.031 1.350 1.00 0.00 C ATOM 806 C LYS B 4 4.194 -10.548 1.065 1.00 0.00 C ATOM 807 O LYS B 4 5.315 -10.149 0.753 1.00 0.00 O ATOM 808 CB LYS B 4 3.764 -12.791 0.034 1.00 0.00 C ATOM 809 CG LYS B 4 3.278 -14.220 0.215 1.00 0.00 C ATOM 810 CD LYS B 4 2.523 -14.714 -1.008 1.00 0.00 C ATOM 811 CE LYS B 4 1.525 -15.803 -0.645 1.00 0.00 C ATOM 812 NZ LYS B 4 0.347 -15.257 0.085 1.00 0.00 N ATOM 0 H LYS B 4 1.913 -12.371 1.711 1.00 0.00 H new ATOM 0 HA LYS B 4 4.822 -12.421 1.874 1.00 0.00 H new ATOM 0 HB2 LYS B 4 3.051 -12.251 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS B 4 4.712 -12.805 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS B 4 4.130 -14.873 0.406 1.00 0.00 H new ATOM 0 HG3 LYS B 4 2.631 -14.277 1.090 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.999 -13.880 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS B 4 3.230 -15.098 -1.743 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.189 -16.304 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.017 -16.555 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -0.428 -15.951 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 0.610 -15.064 1.073 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 0.035 -14.375 -0.369 1.00 0.00 H new ATOM 826 N ILE B 5 3.145 -9.737 1.175 1.00 0.00 N ATOM 827 CA ILE B 5 3.263 -8.307 0.926 1.00 0.00 C ATOM 828 C ILE B 5 3.983 -7.601 2.075 1.00 0.00 C ATOM 829 O ILE B 5 4.742 -6.657 1.853 1.00 0.00 O ATOM 830 CB ILE B 5 1.876 -7.662 0.714 1.00 0.00 C ATOM 831 CG1 ILE B 5 1.123 -8.389 -0.401 1.00 0.00 C ATOM 832 CG2 ILE B 5 2.010 -6.181 0.386 1.00 0.00 C ATOM 833 CD1 ILE B 5 -0.260 -7.836 -0.660 1.00 0.00 C ATOM 0 H ILE B 5 2.208 -10.046 1.434 1.00 0.00 H new ATOM 0 HA ILE B 5 3.852 -8.188 0.016 1.00 0.00 H new ATOM 0 HB ILE B 5 1.309 -7.753 1.641 1.00 0.00 H new ATOM 0 HG12 ILE B 5 1.706 -8.330 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE B 5 1.040 -9.445 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE B 5 1.020 -5.749 0.241 1.00 0.00 H new ATOM 0 HG22 ILE B 5 2.512 -5.670 1.208 1.00 0.00 H new ATOM 0 HG23 ILE B 5 2.595 -6.062 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE B 5 -0.733 -8.401 -1.463 1.00 0.00 H new ATOM 0 HD12 ILE B 5 -0.861 -7.920 0.246 1.00 0.00 H new ATOM 0 HD13 ILE B 5 -0.184 -6.788 -0.949 1.00 0.00 H new ATOM 845 N GLU B 6 3.740 -8.058 3.302 1.00 0.00 N ATOM 846 CA GLU B 6 4.371 -7.463 4.480 1.00 0.00 C ATOM 847 C GLU B 6 5.898 -7.443 4.340 1.00 0.00 C ATOM 848 O GLU B 6 6.514 -6.379 4.382 1.00 0.00 O ATOM 849 CB GLU B 6 3.963 -8.228 5.746 1.00 0.00 C ATOM 850 CG GLU B 6 3.122 -7.404 6.708 1.00 0.00 C ATOM 851 CD GLU B 6 3.947 -6.401 7.494 1.00 0.00 C ATOM 852 OE1 GLU B 6 4.996 -6.797 8.042 1.00 0.00 O ATOM 853 OE2 GLU B 6 3.542 -5.222 7.561 1.00 0.00 O ATOM 0 H GLU B 6 3.113 -8.836 3.507 1.00 0.00 H new ATOM 0 HA GLU B 6 4.026 -6.432 4.563 1.00 0.00 H new ATOM 0 HB2 GLU B 6 3.404 -9.119 5.459 1.00 0.00 H new ATOM 0 HB3 GLU B 6 4.862 -8.568 6.261 1.00 0.00 H new ATOM 0 HG2 GLU B 6 2.350 -6.875 6.149 1.00 0.00 H new ATOM 0 HG3 GLU B 6 2.611 -8.072 7.402 1.00 0.00 H new ATOM 860 N PRO B 7 6.534 -8.624 4.166 1.00 0.00 N ATOM 861 CA PRO B 7 7.993 -8.731 4.012 1.00 0.00 C ATOM 862 C PRO B 7 8.574 -7.653 3.098 1.00 0.00 C ATOM 863 O PRO B 7 9.674 -7.153 3.334 1.00 0.00 O ATOM 864 CB PRO B 7 8.162 -10.111 3.379 1.00 0.00 C ATOM 865 CG PRO B 7 7.028 -10.911 3.920 1.00 0.00 C ATOM 866 CD PRO B 7 5.882 -9.951 4.103 1.00 0.00 C ATOM 0 HA PRO B 7 8.516 -8.600 4.959 1.00 0.00 H new ATOM 0 HB2 PRO B 7 8.125 -10.056 2.291 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.122 -10.554 3.643 1.00 0.00 H new ATOM 0 HG2 PRO B 7 6.757 -11.714 3.234 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.299 -11.378 4.867 1.00 0.00 H new ATOM 0 HD2 PRO B 7 5.176 -10.010 3.275 1.00 0.00 H new ATOM 0 HD3 PRO B 7 5.323 -10.165 5.014 1.00 0.00 H new ATOM 874 N ALA B 8 7.827 -7.303 2.057 1.00 0.00 N ATOM 875 CA ALA B 8 8.261 -6.286 1.108 1.00 0.00 C ATOM 876 C ALA B 8 8.291 -4.908 1.760 1.00 0.00 C ATOM 877 O ALA B 8 9.171 -4.095 1.479 1.00 0.00 O ATOM 878 CB ALA B 8 7.352 -6.281 -0.110 1.00 0.00 C ATOM 0 H ALA B 8 6.915 -7.710 1.849 1.00 0.00 H new ATOM 0 HA ALA B 8 9.274 -6.528 0.787 1.00 0.00 H new ATOM 0 HB1 ALA B 8 7.687 -5.517 -0.811 1.00 0.00 H new ATOM 0 HB2 ALA B 8 7.386 -7.257 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.329 -6.066 0.200 1.00 0.00 H new ATOM 884 N GLN B 9 7.323 -4.655 2.633 1.00 0.00 N ATOM 885 CA GLN B 9 7.238 -3.380 3.331 1.00 0.00 C ATOM 886 C GLN B 9 8.440 -3.184 4.247 1.00 0.00 C ATOM 887 O GLN B 9 8.996 -2.089 4.334 1.00 0.00 O ATOM 888 CB GLN B 9 5.943 -3.307 4.144 1.00 0.00 C ATOM 889 CG GLN B 9 4.710 -3.019 3.305 1.00 0.00 C ATOM 890 CD GLN B 9 3.448 -2.923 4.137 1.00 0.00 C ATOM 891 OE1 GLN B 9 3.341 -2.077 5.026 1.00 0.00 O ATOM 892 NE2 GLN B 9 2.482 -3.789 3.852 1.00 0.00 N ATOM 0 H GLN B 9 6.586 -5.317 2.874 1.00 0.00 H new ATOM 0 HA GLN B 9 7.237 -2.583 2.587 1.00 0.00 H new ATOM 0 HB2 GLN B 9 5.801 -4.251 4.670 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.044 -2.531 4.903 1.00 0.00 H new ATOM 0 HG2 GLN B 9 4.855 -2.085 2.762 1.00 0.00 H new ATOM 0 HG3 GLN B 9 4.590 -3.805 2.560 1.00 0.00 H new ATOM 0 HE21 GLN B 9 2.614 -4.473 3.107 1.00 0.00 H new ATOM 0 HE22 GLN B 9 1.608 -3.770 4.378 1.00 0.00 H new ATOM 901 N GLU B 10 8.842 -4.255 4.924 1.00 0.00 N ATOM 902 CA GLU B 10 9.985 -4.202 5.829 1.00 0.00 C ATOM 903 C GLU B 10 11.273 -3.942 5.051 1.00 0.00 C ATOM 904 O GLU B 10 12.198 -3.306 5.558 1.00 0.00 O ATOM 905 CB GLU B 10 10.095 -5.509 6.625 1.00 0.00 C ATOM 906 CG GLU B 10 10.155 -5.300 8.130 1.00 0.00 C ATOM 907 CD GLU B 10 11.419 -4.586 8.570 1.00 0.00 C ATOM 908 OE1 GLU B 10 11.487 -3.349 8.409 1.00 0.00 O ATOM 909 OE2 GLU B 10 12.338 -5.262 9.075 1.00 0.00 O ATOM 0 H GLU B 10 8.394 -5.169 4.863 1.00 0.00 H new ATOM 0 HA GLU B 10 9.834 -3.380 6.529 1.00 0.00 H new ATOM 0 HB2 GLU B 10 9.240 -6.142 6.388 1.00 0.00 H new ATOM 0 HB3 GLU B 10 10.988 -6.046 6.305 1.00 0.00 H new ATOM 0 HG2 GLU B 10 9.287 -4.723 8.448 1.00 0.00 H new ATOM 0 HG3 GLU B 10 10.095 -6.267 8.630 1.00 0.00 H new ATOM 916 N GLU B 11 11.322 -4.435 3.818 1.00 0.00 N ATOM 917 CA GLU B 11 12.491 -4.254 2.966 1.00 0.00 C ATOM 918 C GLU B 11 12.649 -2.795 2.569 1.00 0.00 C ATOM 919 O GLU B 11 13.767 -2.286 2.491 1.00 0.00 O ATOM 920 CB GLU B 11 12.381 -5.135 1.718 1.00 0.00 C ATOM 921 CG GLU B 11 13.642 -5.146 0.869 1.00 0.00 C ATOM 922 CD GLU B 11 14.743 -5.995 1.471 1.00 0.00 C ATOM 923 OE1 GLU B 11 14.750 -7.220 1.223 1.00 0.00 O ATOM 924 OE2 GLU B 11 15.596 -5.437 2.191 1.00 0.00 O ATOM 0 H GLU B 11 10.564 -4.964 3.386 1.00 0.00 H new ATOM 0 HA GLU B 11 13.374 -4.553 3.530 1.00 0.00 H new ATOM 0 HB2 GLU B 11 12.149 -6.155 2.023 1.00 0.00 H new ATOM 0 HB3 GLU B 11 11.546 -4.787 1.110 1.00 0.00 H new ATOM 0 HG2 GLU B 11 13.402 -5.521 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU B 11 14.002 -4.124 0.747 1.00 0.00 H new ATOM 931 N HIS B 12 11.532 -2.117 2.330 1.00 0.00 N ATOM 932 CA HIS B 12 11.583 -0.711 1.960 1.00 0.00 C ATOM 933 C HIS B 12 11.975 0.136 3.168 1.00 0.00 C ATOM 934 O HIS B 12 12.704 1.115 3.042 1.00 0.00 O ATOM 935 CB HIS B 12 10.238 -0.224 1.392 1.00 0.00 C ATOM 936 CG HIS B 12 10.278 1.223 1.013 1.00 0.00 C ATOM 937 ND1 HIS B 12 10.208 1.694 -0.281 1.00 0.00 N ATOM 938 CD2 HIS B 12 10.509 2.302 1.794 1.00 0.00 C ATOM 939 CE1 HIS B 12 10.413 3.021 -0.243 1.00 0.00 C ATOM 940 NE2 HIS B 12 10.603 3.431 0.996 1.00 0.00 N ATOM 0 H HIS B 12 10.593 -2.513 2.385 1.00 0.00 H new ATOM 0 HA HIS B 12 12.336 -0.601 1.179 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.977 -0.820 0.518 1.00 0.00 H new ATOM 0 HB3 HIS B 12 9.454 -0.383 2.132 1.00 0.00 H new ATOM 0 HD1 HIS B 12 10.032 1.136 -1.116 1.00 0.00 H new ATOM 0 HD2 HIS B 12 10.605 2.287 2.870 1.00 0.00 H new ATOM 0 HE1 HIS B 12 10.421 3.665 -1.110 1.00 0.00 H new ATOM 948 N GLU B 13 11.472 -0.233 4.334 1.00 0.00 N ATOM 949 CA GLU B 13 11.760 0.507 5.556 1.00 0.00 C ATOM 950 C GLU B 13 13.235 0.413 5.951 1.00 0.00 C ATOM 951 O GLU B 13 13.686 1.139 6.838 1.00 0.00 O ATOM 952 CB GLU B 13 10.884 -0.009 6.697 1.00 0.00 C ATOM 953 CG GLU B 13 9.419 0.365 6.550 1.00 0.00 C ATOM 954 CD GLU B 13 8.772 0.728 7.873 1.00 0.00 C ATOM 955 OE1 GLU B 13 8.747 -0.134 8.778 1.00 0.00 O ATOM 956 OE2 GLU B 13 8.294 1.874 8.005 1.00 0.00 O ATOM 0 H GLU B 13 10.862 -1.040 4.463 1.00 0.00 H new ATOM 0 HA GLU B 13 11.536 1.556 5.364 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.971 -1.094 6.749 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.259 0.387 7.641 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.330 1.207 5.864 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.878 -0.469 6.103 1.00 0.00 H new ATOM 963 N LYS B 14 13.989 -0.487 5.315 1.00 0.00 N ATOM 964 CA LYS B 14 15.400 -0.653 5.649 1.00 0.00 C ATOM 965 C LYS B 14 16.332 -0.030 4.603 1.00 0.00 C ATOM 966 O LYS B 14 17.486 0.272 4.906 1.00 0.00 O ATOM 967 CB LYS B 14 15.724 -2.140 5.812 1.00 0.00 C ATOM 968 CG LYS B 14 16.938 -2.406 6.686 1.00 0.00 C ATOM 969 CD LYS B 14 17.204 -3.895 6.827 1.00 0.00 C ATOM 970 CE LYS B 14 16.198 -4.559 7.749 1.00 0.00 C ATOM 971 NZ LYS B 14 16.592 -4.440 9.181 1.00 0.00 N ATOM 0 H LYS B 14 13.649 -1.103 4.576 1.00 0.00 H new ATOM 0 HA LYS B 14 15.572 -0.126 6.588 1.00 0.00 H new ATOM 0 HB2 LYS B 14 14.860 -2.647 6.241 1.00 0.00 H new ATOM 0 HB3 LYS B 14 15.893 -2.577 4.828 1.00 0.00 H new ATOM 0 HG2 LYS B 14 17.812 -1.918 6.255 1.00 0.00 H new ATOM 0 HG3 LYS B 14 16.782 -1.968 7.672 1.00 0.00 H new ATOM 0 HD2 LYS B 14 17.164 -4.367 5.845 1.00 0.00 H new ATOM 0 HD3 LYS B 14 18.211 -4.050 7.215 1.00 0.00 H new ATOM 0 HE2 LYS B 14 15.218 -4.105 7.603 1.00 0.00 H new ATOM 0 HE3 LYS B 14 16.104 -5.612 7.485 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 15.879 -4.906 9.777 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 17.516 -4.895 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 16.657 -3.435 9.441 1.00 0.00 H new ATOM 985 N TYR B 15 15.850 0.146 3.372 1.00 0.00 N ATOM 986 CA TYR B 15 16.688 0.717 2.316 1.00 0.00 C ATOM 987 C TYR B 15 15.891 1.563 1.315 1.00 0.00 C ATOM 988 O TYR B 15 16.366 1.824 0.210 1.00 0.00 O ATOM 989 CB TYR B 15 17.402 -0.410 1.572 1.00 0.00 C ATOM 990 CG TYR B 15 18.050 -1.431 2.484 1.00 0.00 C ATOM 991 CD1 TYR B 15 19.328 -1.224 2.990 1.00 0.00 C ATOM 992 CD2 TYR B 15 17.387 -2.604 2.836 1.00 0.00 C ATOM 993 CE1 TYR B 15 19.926 -2.155 3.820 1.00 0.00 C ATOM 994 CE2 TYR B 15 17.981 -3.538 3.662 1.00 0.00 C ATOM 995 CZ TYR B 15 19.249 -3.308 4.152 1.00 0.00 C ATOM 996 OH TYR B 15 19.842 -4.236 4.977 1.00 0.00 O ATOM 0 H TYR B 15 14.901 -0.093 3.084 1.00 0.00 H new ATOM 0 HA TYR B 15 17.407 1.380 2.797 1.00 0.00 H new ATOM 0 HB2 TYR B 15 16.685 -0.917 0.926 1.00 0.00 H new ATOM 0 HB3 TYR B 15 18.166 0.021 0.925 1.00 0.00 H new ATOM 0 HD1 TYR B 15 19.862 -0.322 2.731 1.00 0.00 H new ATOM 0 HD2 TYR B 15 16.392 -2.786 2.457 1.00 0.00 H new ATOM 0 HE1 TYR B 15 20.919 -1.979 4.206 1.00 0.00 H new ATOM 0 HE2 TYR B 15 17.455 -4.444 3.923 1.00 0.00 H new ATOM 0 HH TYR B 15 19.231 -4.990 5.113 1.00 0.00 H new ATOM 1006 N HIS B 16 14.682 1.981 1.699 1.00 0.00 N ATOM 1007 CA HIS B 16 13.805 2.791 0.837 1.00 0.00 C ATOM 1008 C HIS B 16 13.822 2.319 -0.621 1.00 0.00 C ATOM 1009 O HIS B 16 13.879 3.124 -1.549 1.00 0.00 O ATOM 1010 CB HIS B 16 14.170 4.277 0.911 1.00 0.00 C ATOM 1011 CG HIS B 16 13.929 4.891 2.259 1.00 0.00 C ATOM 1012 ND1 HIS B 16 12.683 5.342 2.653 1.00 0.00 N ATOM 1013 CD2 HIS B 16 14.809 5.110 3.265 1.00 0.00 C ATOM 1014 CE1 HIS B 16 12.839 5.818 3.875 1.00 0.00 C ATOM 1015 NE2 HIS B 16 14.110 5.699 4.288 1.00 0.00 N ATOM 0 H HIS B 16 14.281 1.770 2.613 1.00 0.00 H new ATOM 0 HA HIS B 16 12.792 2.657 1.218 1.00 0.00 H new ATOM 0 HB2 HIS B 16 15.221 4.397 0.650 1.00 0.00 H new ATOM 0 HB3 HIS B 16 13.592 4.822 0.165 1.00 0.00 H new ATOM 0 HD2 HIS B 16 15.861 4.867 3.262 1.00 0.00 H new ATOM 0 HE1 HIS B 16 12.045 6.248 4.467 1.00 0.00 H new ATOM 0 HE2 HIS B 16 14.485 5.991 5.191 1.00 0.00 H new ATOM 1023 N SER B 17 13.777 1.003 -0.807 1.00 0.00 N ATOM 1024 CA SER B 17 13.788 0.413 -2.142 1.00 0.00 C ATOM 1025 C SER B 17 12.616 0.921 -2.978 1.00 0.00 C ATOM 1026 O SER B 17 11.561 1.264 -2.442 1.00 0.00 O ATOM 1027 CB SER B 17 13.738 -1.112 -2.042 1.00 0.00 C ATOM 1028 OG SER B 17 14.977 -1.637 -1.599 1.00 0.00 O ATOM 0 H SER B 17 13.732 0.323 -0.048 1.00 0.00 H new ATOM 0 HA SER B 17 14.712 0.711 -2.637 1.00 0.00 H new ATOM 0 HB2 SER B 17 12.947 -1.408 -1.353 1.00 0.00 H new ATOM 0 HB3 SER B 17 13.488 -1.535 -3.015 1.00 0.00 H new ATOM 0 HG SER B 17 14.917 -2.614 -1.542 1.00 0.00 H new ATOM 1034 N ASN B 18 12.803 0.964 -4.292 1.00 0.00 N ATOM 1035 CA ASN B 18 11.760 1.429 -5.200 1.00 0.00 C ATOM 1036 C ASN B 18 10.842 0.282 -5.610 1.00 0.00 C ATOM 1037 O ASN B 18 11.111 -0.879 -5.303 1.00 0.00 O ATOM 1038 CB ASN B 18 12.380 2.064 -6.445 1.00 0.00 C ATOM 1039 CG ASN B 18 12.914 3.458 -6.179 1.00 0.00 C ATOM 1040 OD1 ASN B 18 13.075 3.866 -5.028 1.00 0.00 O ATOM 1041 ND2 ASN B 18 13.195 4.198 -7.246 1.00 0.00 N ATOM 0 H ASN B 18 13.668 0.682 -4.753 1.00 0.00 H new ATOM 0 HA ASN B 18 11.168 2.178 -4.674 1.00 0.00 H new ATOM 0 HB2 ASN B 18 13.190 1.431 -6.807 1.00 0.00 H new ATOM 0 HB3 ASN B 18 11.632 2.109 -7.237 1.00 0.00 H new ATOM 0 HD21 ASN B 18 13.559 5.144 -7.129 1.00 0.00 H new ATOM 0 HD22 ASN B 18 13.047 3.821 -8.182 1.00 0.00 H new ATOM 1048 N VAL B 19 9.758 0.616 -6.306 1.00 0.00 N ATOM 1049 CA VAL B 19 8.796 -0.386 -6.762 1.00 0.00 C ATOM 1050 C VAL B 19 9.479 -1.470 -7.588 1.00 0.00 C ATOM 1051 O VAL B 19 9.269 -2.661 -7.364 1.00 0.00 O ATOM 1052 CB VAL B 19 7.673 0.256 -7.603 1.00 0.00 C ATOM 1053 CG1 VAL B 19 6.604 -0.767 -7.959 1.00 0.00 C ATOM 1054 CG2 VAL B 19 7.060 1.429 -6.860 1.00 0.00 C ATOM 0 H VAL B 19 9.523 1.574 -6.567 1.00 0.00 H new ATOM 0 HA VAL B 19 8.361 -0.836 -5.870 1.00 0.00 H new ATOM 0 HB VAL B 19 8.112 0.622 -8.531 1.00 0.00 H new ATOM 0 HG11 VAL B 19 5.825 -0.288 -8.552 1.00 0.00 H new ATOM 0 HG12 VAL B 19 7.052 -1.576 -8.535 1.00 0.00 H new ATOM 0 HG13 VAL B 19 6.168 -1.171 -7.045 1.00 0.00 H new ATOM 0 HG21 VAL B 19 6.270 1.871 -7.467 1.00 0.00 H new ATOM 0 HG22 VAL B 19 6.642 1.083 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL B 19 7.828 2.177 -6.664 1.00 0.00 H new ATOM 1064 N LYS B 20 10.302 -1.048 -8.542 1.00 0.00 N ATOM 1065 CA LYS B 20 11.023 -1.983 -9.404 1.00 0.00 C ATOM 1066 C LYS B 20 11.870 -2.944 -8.572 1.00 0.00 C ATOM 1067 O LYS B 20 12.091 -4.090 -8.965 1.00 0.00 O ATOM 1068 CB LYS B 20 11.911 -1.220 -10.388 1.00 0.00 C ATOM 1069 CG LYS B 20 12.464 -2.087 -11.508 1.00 0.00 C ATOM 1070 CD LYS B 20 13.761 -2.775 -11.101 1.00 0.00 C ATOM 1071 CE LYS B 20 14.967 -2.139 -11.776 1.00 0.00 C ATOM 1072 NZ LYS B 20 15.222 -2.724 -13.121 1.00 0.00 N ATOM 0 H LYS B 20 10.488 -0.065 -8.739 1.00 0.00 H new ATOM 0 HA LYS B 20 10.291 -2.564 -9.964 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.337 -0.402 -10.823 1.00 0.00 H new ATOM 0 HB3 LYS B 20 12.742 -0.772 -9.843 1.00 0.00 H new ATOM 0 HG2 LYS B 20 11.725 -2.839 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS B 20 12.640 -1.472 -12.391 1.00 0.00 H new ATOM 0 HD2 LYS B 20 13.878 -2.721 -10.019 1.00 0.00 H new ATOM 0 HD3 LYS B 20 13.711 -3.832 -11.364 1.00 0.00 H new ATOM 0 HE2 LYS B 20 14.805 -1.065 -11.872 1.00 0.00 H new ATOM 0 HE3 LYS B 20 15.848 -2.274 -11.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 16.051 -2.264 -13.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 15.401 -3.744 -13.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 14.391 -2.573 -13.728 1.00 0.00 H new ATOM 1086 N GLU B 21 12.332 -2.470 -7.421 1.00 0.00 N ATOM 1087 CA GLU B 21 13.144 -3.287 -6.530 1.00 0.00 C ATOM 1088 C GLU B 21 12.268 -4.243 -5.729 1.00 0.00 C ATOM 1089 O GLU B 21 12.577 -5.428 -5.604 1.00 0.00 O ATOM 1090 CB GLU B 21 13.952 -2.395 -5.586 1.00 0.00 C ATOM 1091 CG GLU B 21 14.915 -3.165 -4.695 1.00 0.00 C ATOM 1092 CD GLU B 21 16.258 -2.473 -4.555 1.00 0.00 C ATOM 1093 OE1 GLU B 21 16.664 -1.768 -5.501 1.00 0.00 O ATOM 1094 OE2 GLU B 21 16.903 -2.636 -3.498 1.00 0.00 O ATOM 0 H GLU B 21 12.158 -1.523 -7.083 1.00 0.00 H new ATOM 0 HA GLU B 21 13.833 -3.876 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.515 -1.672 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU B 21 13.265 -1.828 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU B 21 14.470 -3.290 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.066 -4.163 -5.106 1.00 0.00 H new ATOM 1101 N LEU B 22 11.167 -3.721 -5.192 1.00 0.00 N ATOM 1102 CA LEU B 22 10.242 -4.534 -4.408 1.00 0.00 C ATOM 1103 C LEU B 22 9.510 -5.527 -5.303 1.00 0.00 C ATOM 1104 O LEU B 22 9.165 -6.630 -4.875 1.00 0.00 O ATOM 1105 CB LEU B 22 9.222 -3.647 -3.684 1.00 0.00 C ATOM 1106 CG LEU B 22 9.716 -2.949 -2.408 1.00 0.00 C ATOM 1107 CD1 LEU B 22 10.473 -3.914 -1.507 1.00 0.00 C ATOM 1108 CD2 LEU B 22 10.584 -1.752 -2.759 1.00 0.00 C ATOM 0 H LEU B 22 10.895 -2.742 -5.285 1.00 0.00 H new ATOM 0 HA LEU B 22 10.823 -5.083 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU B 22 8.877 -2.883 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU B 22 8.357 -4.259 -3.427 1.00 0.00 H new ATOM 0 HG LEU B 22 8.843 -2.597 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.809 -3.389 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU B 22 9.816 -4.735 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.337 -4.310 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU B 22 10.925 -1.269 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU B 22 11.446 -2.085 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.004 -1.042 -3.349 1.00 0.00 H new ATOM 1120 N SER B 23 9.270 -5.127 -6.548 1.00 0.00 N ATOM 1121 CA SER B 23 8.572 -5.980 -7.502 1.00 0.00 C ATOM 1122 C SER B 23 9.507 -7.034 -8.086 1.00 0.00 C ATOM 1123 O SER B 23 9.115 -8.183 -8.284 1.00 0.00 O ATOM 1124 CB SER B 23 7.974 -5.133 -8.629 1.00 0.00 C ATOM 1125 OG SER B 23 6.983 -4.251 -8.130 1.00 0.00 O ATOM 0 H SER B 23 9.548 -4.219 -6.919 1.00 0.00 H new ATOM 0 HA SER B 23 7.770 -6.492 -6.971 1.00 0.00 H new ATOM 0 HB2 SER B 23 8.763 -4.561 -9.117 1.00 0.00 H new ATOM 0 HB3 SER B 23 7.538 -5.784 -9.386 1.00 0.00 H new ATOM 0 HG SER B 23 6.146 -4.742 -7.995 1.00 0.00 H new ATOM 1131 N HIS B 24 10.744 -6.634 -8.356 1.00 0.00 N ATOM 1132 CA HIS B 24 11.733 -7.546 -8.917 1.00 0.00 C ATOM 1133 C HIS B 24 12.250 -8.516 -7.853 1.00 0.00 C ATOM 1134 O HIS B 24 12.637 -9.640 -8.164 1.00 0.00 O ATOM 1135 CB HIS B 24 12.899 -6.756 -9.516 1.00 0.00 C ATOM 1136 CG HIS B 24 13.955 -7.619 -10.135 1.00 0.00 C ATOM 1137 ND1 HIS B 24 13.824 -8.110 -11.411 1.00 0.00 N ATOM 1138 CD2 HIS B 24 15.127 -8.052 -9.612 1.00 0.00 C ATOM 1139 CE1 HIS B 24 14.911 -8.826 -11.637 1.00 0.00 C ATOM 1140 NE2 HIS B 24 15.731 -8.821 -10.574 1.00 0.00 N ATOM 0 H HIS B 24 11.085 -5.686 -8.196 1.00 0.00 H new ATOM 0 HA HIS B 24 11.252 -8.126 -9.704 1.00 0.00 H new ATOM 0 HB2 HIS B 24 12.513 -6.071 -10.271 1.00 0.00 H new ATOM 0 HB3 HIS B 24 13.352 -6.146 -8.735 1.00 0.00 H new ATOM 0 HD2 HIS B 24 15.512 -7.834 -8.627 1.00 0.00 H new ATOM 0 HE1 HIS B 24 15.114 -9.349 -12.560 1.00 0.00 H new ATOM 0 HE2 HIS B 24 16.630 -9.297 -10.497 1.00 0.00 H new ATOM 1148 N LYS B 25 12.256 -8.067 -6.601 1.00 0.00 N ATOM 1149 CA LYS B 25 12.733 -8.892 -5.497 1.00 0.00 C ATOM 1150 C LYS B 25 11.666 -9.886 -5.049 1.00 0.00 C ATOM 1151 O LYS B 25 11.900 -11.096 -5.031 1.00 0.00 O ATOM 1152 CB LYS B 25 13.148 -8.008 -4.319 1.00 0.00 C ATOM 1153 CG LYS B 25 14.034 -8.714 -3.306 1.00 0.00 C ATOM 1154 CD LYS B 25 13.241 -9.696 -2.458 1.00 0.00 C ATOM 1155 CE LYS B 25 14.031 -10.137 -1.235 1.00 0.00 C ATOM 1156 NZ LYS B 25 15.408 -10.575 -1.591 1.00 0.00 N ATOM 0 H LYS B 25 11.936 -7.138 -6.327 1.00 0.00 H new ATOM 0 HA LYS B 25 13.598 -9.455 -5.848 1.00 0.00 H new ATOM 0 HB2 LYS B 25 13.674 -7.133 -4.701 1.00 0.00 H new ATOM 0 HB3 LYS B 25 12.252 -7.646 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS B 25 14.832 -9.243 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS B 25 14.509 -7.976 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS B 25 12.306 -9.234 -2.142 1.00 0.00 H new ATOM 0 HD3 LYS B 25 12.979 -10.568 -3.057 1.00 0.00 H new ATOM 0 HE2 LYS B 25 14.085 -9.314 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS B 25 13.507 -10.954 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 15.835 -11.069 -0.782 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 15.368 -11.218 -2.407 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 15.985 -9.744 -1.833 1.00 0.00 H new ATOM 1170 N PHE B 26 10.497 -9.373 -4.680 1.00 0.00 N ATOM 1171 CA PHE B 26 9.400 -10.221 -4.220 1.00 0.00 C ATOM 1172 C PHE B 26 8.464 -10.625 -5.363 1.00 0.00 C ATOM 1173 O PHE B 26 7.395 -11.187 -5.123 1.00 0.00 O ATOM 1174 CB PHE B 26 8.610 -9.503 -3.127 1.00 0.00 C ATOM 1175 CG PHE B 26 9.443 -9.152 -1.928 1.00 0.00 C ATOM 1176 CD1 PHE B 26 10.111 -7.940 -1.862 1.00 0.00 C ATOM 1177 CD2 PHE B 26 9.561 -10.037 -0.868 1.00 0.00 C ATOM 1178 CE1 PHE B 26 10.884 -7.618 -0.762 1.00 0.00 C ATOM 1179 CE2 PHE B 26 10.331 -9.721 0.235 1.00 0.00 C ATOM 1180 CZ PHE B 26 10.993 -8.509 0.289 1.00 0.00 C ATOM 0 H PHE B 26 10.284 -8.376 -4.690 1.00 0.00 H new ATOM 0 HA PHE B 26 9.838 -11.135 -3.818 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.177 -8.592 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE B 26 7.780 -10.136 -2.812 1.00 0.00 H new ATOM 0 HD1 PHE B 26 10.027 -7.239 -2.679 1.00 0.00 H new ATOM 0 HD2 PHE B 26 9.045 -10.985 -0.905 1.00 0.00 H new ATOM 0 HE1 PHE B 26 11.402 -6.671 -0.724 1.00 0.00 H new ATOM 0 HE2 PHE B 26 10.415 -10.420 1.054 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.594 -8.259 1.151 1.00 0.00 H new ATOM 1190 N GLY B 27 8.866 -10.351 -6.607 1.00 0.00 N ATOM 1191 CA GLY B 27 8.042 -10.711 -7.752 1.00 0.00 C ATOM 1192 C GLY B 27 6.620 -10.186 -7.659 1.00 0.00 C ATOM 1193 O GLY B 27 5.697 -10.776 -8.221 1.00 0.00 O ATOM 0 H GLY B 27 9.744 -9.888 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY B 27 8.506 -10.325 -8.660 1.00 0.00 H new ATOM 0 HA3 GLY B 27 8.016 -11.797 -7.844 1.00 0.00 H new ATOM 1197 N ILE B 28 6.437 -9.077 -6.950 1.00 0.00 N ATOM 1198 CA ILE B 28 5.114 -8.483 -6.795 1.00 0.00 C ATOM 1199 C ILE B 28 4.853 -7.434 -7.875 1.00 0.00 C ATOM 1200 O ILE B 28 5.745 -6.661 -8.219 1.00 0.00 O ATOM 1201 CB ILE B 28 4.945 -7.823 -5.412 1.00 0.00 C ATOM 1202 CG1 ILE B 28 6.031 -6.769 -5.185 1.00 0.00 C ATOM 1203 CG2 ILE B 28 4.983 -8.875 -4.314 1.00 0.00 C ATOM 1204 CD1 ILE B 28 5.829 -5.959 -3.924 1.00 0.00 C ATOM 0 H ILE B 28 7.186 -8.573 -6.475 1.00 0.00 H new ATOM 0 HA ILE B 28 4.394 -9.296 -6.892 1.00 0.00 H new ATOM 0 HB ILE B 28 3.975 -7.328 -5.381 1.00 0.00 H new ATOM 0 HG12 ILE B 28 7.002 -7.263 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE B 28 6.057 -6.094 -6.041 1.00 0.00 H new ATOM 0 HG21 ILE B 28 4.862 -8.393 -3.344 1.00 0.00 H new ATOM 0 HG22 ILE B 28 4.175 -9.590 -4.467 1.00 0.00 H new ATOM 0 HG23 ILE B 28 5.939 -9.397 -4.343 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.635 -5.231 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE B 28 4.873 -5.437 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE B 28 5.833 -6.624 -3.060 1.00 0.00 H new ATOM 1216 N PRO B 29 3.623 -7.380 -8.432 1.00 0.00 N ATOM 1217 CA PRO B 29 3.281 -6.404 -9.472 1.00 0.00 C ATOM 1218 C PRO B 29 3.539 -4.972 -9.021 1.00 0.00 C ATOM 1219 O PRO B 29 3.767 -4.712 -7.840 1.00 0.00 O ATOM 1220 CB PRO B 29 1.782 -6.634 -9.721 1.00 0.00 C ATOM 1221 CG PRO B 29 1.303 -7.438 -8.559 1.00 0.00 C ATOM 1222 CD PRO B 29 2.480 -8.246 -8.100 1.00 0.00 C ATOM 0 HA PRO B 29 3.889 -6.537 -10.367 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.246 -5.687 -9.791 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.617 -7.164 -10.659 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.939 -6.791 -7.761 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.475 -8.085 -8.848 1.00 0.00 H new ATOM 0 HD2 PRO B 29 2.432 -8.460 -7.032 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.537 -9.205 -8.615 1.00 0.00 H new ATOM 1230 N ASN B 30 3.505 -4.043 -9.972 1.00 0.00 N ATOM 1231 CA ASN B 30 3.741 -2.635 -9.678 1.00 0.00 C ATOM 1232 C ASN B 30 2.695 -2.090 -8.709 1.00 0.00 C ATOM 1233 O ASN B 30 2.977 -1.189 -7.920 1.00 0.00 O ATOM 1234 CB ASN B 30 3.735 -1.817 -10.972 1.00 0.00 C ATOM 1235 CG ASN B 30 4.858 -0.800 -11.020 1.00 0.00 C ATOM 1236 OD1 ASN B 30 4.644 0.388 -10.783 1.00 0.00 O ATOM 1237 ND2 ASN B 30 6.063 -1.264 -11.326 1.00 0.00 N ATOM 0 H ASN B 30 3.316 -4.242 -10.954 1.00 0.00 H new ATOM 0 HA ASN B 30 4.719 -2.549 -9.204 1.00 0.00 H new ATOM 0 HB2 ASN B 30 3.822 -2.491 -11.824 1.00 0.00 H new ATOM 0 HB3 ASN B 30 2.779 -1.303 -11.069 1.00 0.00 H new ATOM 0 HD21 ASN B 30 6.858 -0.627 -11.372 1.00 0.00 H new ATOM 0 HD22 ASN B 30 6.194 -2.258 -11.515 1.00 0.00 H new ATOM 1244 N LEU B 31 1.487 -2.638 -8.777 1.00 0.00 N ATOM 1245 CA LEU B 31 0.400 -2.198 -7.906 1.00 0.00 C ATOM 1246 C LEU B 31 0.756 -2.397 -6.438 1.00 0.00 C ATOM 1247 O LEU B 31 0.849 -1.433 -5.678 1.00 0.00 O ATOM 1248 CB LEU B 31 -0.885 -2.955 -8.237 1.00 0.00 C ATOM 1249 CG LEU B 31 -1.605 -2.477 -9.498 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -1.839 -0.973 -9.447 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -0.807 -2.855 -10.735 1.00 0.00 C ATOM 0 H LEU B 31 1.235 -3.385 -9.424 1.00 0.00 H new ATOM 0 HA LEU B 31 0.243 -1.133 -8.079 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -0.648 -4.013 -8.350 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -1.568 -2.870 -7.392 1.00 0.00 H new ATOM 0 HG LEU B 31 -2.577 -2.969 -9.549 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -2.353 -0.654 -10.354 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -2.451 -0.729 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -0.881 -0.458 -9.372 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -1.331 -2.509 -11.626 1.00 0.00 H new ATOM 0 HD22 LEU B 31 0.178 -2.390 -10.689 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -0.694 -3.938 -10.778 1.00 0.00 H new ATOM 1263 N VAL B 32 0.950 -3.649 -6.046 1.00 0.00 N ATOM 1264 CA VAL B 32 1.293 -3.970 -4.666 1.00 0.00 C ATOM 1265 C VAL B 32 2.578 -3.264 -4.243 1.00 0.00 C ATOM 1266 O VAL B 32 2.676 -2.762 -3.123 1.00 0.00 O ATOM 1267 CB VAL B 32 1.454 -5.493 -4.460 1.00 0.00 C ATOM 1268 CG1 VAL B 32 1.689 -5.817 -2.991 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.233 -6.236 -4.983 1.00 0.00 C ATOM 0 H VAL B 32 0.876 -4.458 -6.663 1.00 0.00 H new ATOM 0 HA VAL B 32 0.469 -3.619 -4.045 1.00 0.00 H new ATOM 0 HB VAL B 32 2.326 -5.823 -5.025 1.00 0.00 H new ATOM 0 HG11 VAL B 32 1.800 -6.895 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL B 32 2.596 -5.318 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL B 32 0.840 -5.470 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL B 32 0.365 -7.307 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.655 -5.899 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL B 32 0.113 -6.035 -6.047 1.00 0.00 H new ATOM 1279 N ALA B 33 3.556 -3.222 -5.142 1.00 0.00 N ATOM 1280 CA ALA B 33 4.827 -2.569 -4.852 1.00 0.00 C ATOM 1281 C ALA B 33 4.643 -1.064 -4.689 1.00 0.00 C ATOM 1282 O ALA B 33 5.249 -0.449 -3.813 1.00 0.00 O ATOM 1283 CB ALA B 33 5.841 -2.859 -5.948 1.00 0.00 C ATOM 0 H ALA B 33 3.493 -3.631 -6.074 1.00 0.00 H new ATOM 0 HA ALA B 33 5.204 -2.972 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA B 33 6.783 -2.363 -5.713 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.005 -3.934 -6.017 1.00 0.00 H new ATOM 0 HB3 ALA B 33 5.463 -2.488 -6.901 1.00 0.00 H new ATOM 1289 N ARG B 34 3.802 -0.475 -5.537 1.00 0.00 N ATOM 1290 CA ARG B 34 3.543 0.960 -5.477 1.00 0.00 C ATOM 1291 C ARG B 34 2.990 1.346 -4.108 1.00 0.00 C ATOM 1292 O ARG B 34 3.389 2.354 -3.526 1.00 0.00 O ATOM 1293 CB ARG B 34 2.564 1.378 -6.580 1.00 0.00 C ATOM 1294 CG ARG B 34 3.248 1.932 -7.818 1.00 0.00 C ATOM 1295 CD ARG B 34 2.365 1.804 -9.048 1.00 0.00 C ATOM 1296 NE ARG B 34 1.223 2.716 -9.004 1.00 0.00 N ATOM 1297 CZ ARG B 34 0.525 3.094 -10.076 1.00 0.00 C ATOM 1298 NH1 ARG B 34 0.841 2.641 -11.283 1.00 0.00 N ATOM 1299 NH2 ARG B 34 -0.498 3.925 -9.937 1.00 0.00 N ATOM 0 H ARG B 34 3.291 -0.967 -6.270 1.00 0.00 H new ATOM 0 HA ARG B 34 4.486 1.484 -5.633 1.00 0.00 H new ATOM 0 HB2 ARG B 34 1.959 0.517 -6.863 1.00 0.00 H new ATOM 0 HB3 ARG B 34 1.882 2.130 -6.184 1.00 0.00 H new ATOM 0 HG2 ARG B 34 3.500 2.980 -7.657 1.00 0.00 H new ATOM 0 HG3 ARG B 34 4.185 1.401 -7.985 1.00 0.00 H new ATOM 0 HD2 ARG B 34 2.956 2.007 -9.941 1.00 0.00 H new ATOM 0 HD3 ARG B 34 2.006 0.778 -9.130 1.00 0.00 H new ATOM 0 HE ARG B 34 0.942 3.087 -8.096 1.00 0.00 H new ATOM 0 HH11 ARG B 34 1.624 1.998 -11.397 1.00 0.00 H new ATOM 0 HH12 ARG B 34 0.301 2.936 -12.096 1.00 0.00 H new ATOM 0 HH21 ARG B 34 -0.750 4.274 -9.012 1.00 0.00 H new ATOM 0 HH22 ARG B 34 -1.034 4.216 -10.755 1.00 0.00 H new ATOM 1313 N GLN B 35 2.074 0.530 -3.598 1.00 0.00 N ATOM 1314 CA GLN B 35 1.473 0.777 -2.293 1.00 0.00 C ATOM 1315 C GLN B 35 2.537 0.819 -1.196 1.00 0.00 C ATOM 1316 O GLN B 35 2.336 1.436 -0.150 1.00 0.00 O ATOM 1317 CB GLN B 35 0.438 -0.304 -1.975 1.00 0.00 C ATOM 1318 CG GLN B 35 -0.638 -0.443 -3.039 1.00 0.00 C ATOM 1319 CD GLN B 35 -1.127 -1.870 -3.193 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -1.410 -2.269 -4.429 1.00 0.00 O flip ATOM 1321 NE2 GLN B 35 -1.250 -2.605 -2.214 1.00 0.00 N flip ATOM 0 H GLN B 35 1.732 -0.308 -4.068 1.00 0.00 H new ATOM 0 HA GLN B 35 0.979 1.748 -2.328 1.00 0.00 H new ATOM 0 HB2 GLN B 35 0.947 -1.260 -1.857 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -0.034 -0.074 -1.020 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -1.480 0.200 -2.784 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -0.247 -0.092 -3.994 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -1.021 -2.257 -1.283 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -1.581 -3.562 -2.333 1.00 0.00 H new ATOM 1330 N ILE B 36 3.672 0.168 -1.443 1.00 0.00 N ATOM 1331 CA ILE B 36 4.764 0.143 -0.475 1.00 0.00 C ATOM 1332 C ILE B 36 5.423 1.511 -0.373 1.00 0.00 C ATOM 1333 O ILE B 36 5.454 2.122 0.697 1.00 0.00 O ATOM 1334 CB ILE B 36 5.832 -0.902 -0.847 1.00 0.00 C ATOM 1335 CG1 ILE B 36 5.178 -2.255 -1.140 1.00 0.00 C ATOM 1336 CG2 ILE B 36 6.860 -1.032 0.267 1.00 0.00 C ATOM 1337 CD1 ILE B 36 4.541 -2.903 0.071 1.00 0.00 C ATOM 0 H ILE B 36 3.858 -0.348 -2.303 1.00 0.00 H new ATOM 0 HA ILE B 36 4.330 -0.130 0.487 1.00 0.00 H new ATOM 0 HB ILE B 36 6.345 -0.567 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE B 36 4.418 -2.121 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE B 36 5.930 -2.930 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.607 -1.775 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE B 36 7.347 -0.070 0.427 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.364 -1.345 1.186 1.00 0.00 H new ATOM 0 HD11 ILE B 36 4.099 -3.857 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE B 36 5.300 -3.070 0.835 1.00 0.00 H new ATOM 0 HD13 ILE B 36 3.765 -2.249 0.468 1.00 0.00 H new ATOM 1349 N VAL B 37 5.949 1.990 -1.496 1.00 0.00 N ATOM 1350 CA VAL B 37 6.606 3.288 -1.541 1.00 0.00 C ATOM 1351 C VAL B 37 5.633 4.399 -1.156 1.00 0.00 C ATOM 1352 O VAL B 37 6.006 5.362 -0.486 1.00 0.00 O ATOM 1353 CB VAL B 37 7.189 3.576 -2.941 1.00 0.00 C ATOM 1354 CG1 VAL B 37 7.943 4.897 -2.956 1.00 0.00 C ATOM 1355 CG2 VAL B 37 8.096 2.435 -3.383 1.00 0.00 C ATOM 0 H VAL B 37 5.932 1.496 -2.388 1.00 0.00 H new ATOM 0 HA VAL B 37 7.425 3.262 -0.823 1.00 0.00 H new ATOM 0 HB VAL B 37 6.361 3.654 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL B 37 8.344 5.076 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL B 37 7.264 5.706 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL B 37 8.762 4.857 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL B 37 8.499 2.653 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL B 37 8.916 2.326 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL B 37 7.523 1.509 -3.421 1.00 0.00 H new ATOM 1365 N ASN B 38 4.383 4.257 -1.585 1.00 0.00 N ATOM 1366 CA ASN B 38 3.358 5.248 -1.282 1.00 0.00 C ATOM 1367 C ASN B 38 3.125 5.341 0.221 1.00 0.00 C ATOM 1368 O ASN B 38 2.865 6.420 0.755 1.00 0.00 O ATOM 1369 CB ASN B 38 2.049 4.895 -1.992 1.00 0.00 C ATOM 1370 CG ASN B 38 2.061 5.285 -3.456 1.00 0.00 C ATOM 1371 OD1 ASN B 38 2.974 5.971 -3.919 1.00 0.00 O ATOM 1372 ND2 ASN B 38 1.048 4.852 -4.194 1.00 0.00 N ATOM 0 H ASN B 38 4.057 3.467 -2.142 1.00 0.00 H new ATOM 0 HA ASN B 38 3.706 6.217 -1.641 1.00 0.00 H new ATOM 0 HB2 ASN B 38 1.870 3.823 -1.906 1.00 0.00 H new ATOM 0 HB3 ASN B 38 1.221 5.397 -1.492 1.00 0.00 H new ATOM 0 HD21 ASN B 38 1.004 5.085 -5.186 1.00 0.00 H new ATOM 0 HD22 ASN B 38 0.313 4.286 -3.770 1.00 0.00 H new ATOM 1379 N SER B 39 3.228 4.203 0.902 1.00 0.00 N ATOM 1380 CA SER B 39 3.031 4.159 2.346 1.00 0.00 C ATOM 1381 C SER B 39 4.146 4.911 3.068 1.00 0.00 C ATOM 1382 O SER B 39 3.930 5.487 4.133 1.00 0.00 O ATOM 1383 CB SER B 39 2.980 2.709 2.831 1.00 0.00 C ATOM 1384 OG SER B 39 2.930 2.646 4.247 1.00 0.00 O ATOM 0 H SER B 39 3.446 3.302 0.478 1.00 0.00 H new ATOM 0 HA SER B 39 2.082 4.644 2.574 1.00 0.00 H new ATOM 0 HB2 SER B 39 2.106 2.212 2.411 1.00 0.00 H new ATOM 0 HB3 SER B 39 3.857 2.171 2.471 1.00 0.00 H new ATOM 0 HG SER B 39 2.896 1.709 4.532 1.00 0.00 H new ATOM 1390 N CYS B 40 5.336 4.903 2.476 1.00 0.00 N ATOM 1391 CA CYS B 40 6.483 5.586 3.062 1.00 0.00 C ATOM 1392 C CYS B 40 6.259 7.095 3.096 1.00 0.00 C ATOM 1393 O CYS B 40 5.951 7.710 2.075 1.00 0.00 O ATOM 1394 CB CYS B 40 7.754 5.265 2.274 1.00 0.00 C ATOM 1395 SG CYS B 40 9.249 6.005 2.969 1.00 0.00 S ATOM 0 H CYS B 40 5.531 4.432 1.592 1.00 0.00 H new ATOM 0 HA CYS B 40 6.600 5.231 4.086 1.00 0.00 H new ATOM 0 HB2 CYS B 40 7.881 4.183 2.232 1.00 0.00 H new ATOM 0 HB3 CYS B 40 7.631 5.612 1.248 1.00 0.00 H new ATOM 1400 N ALA B 41 6.413 7.681 4.278 1.00 0.00 N ATOM 1401 CA ALA B 41 6.227 9.118 4.448 1.00 0.00 C ATOM 1402 C ALA B 41 7.460 9.895 3.997 1.00 0.00 C ATOM 1403 O ALA B 41 7.358 11.045 3.570 1.00 0.00 O ATOM 1404 CB ALA B 41 5.904 9.437 5.900 1.00 0.00 C ATOM 0 H ALA B 41 6.666 7.184 5.132 1.00 0.00 H new ATOM 0 HA ALA B 41 5.390 9.426 3.821 1.00 0.00 H new ATOM 0 HB1 ALA B 41 5.767 10.512 6.015 1.00 0.00 H new ATOM 0 HB2 ALA B 41 4.988 8.922 6.191 1.00 0.00 H new ATOM 0 HB3 ALA B 41 6.724 9.106 6.537 1.00 0.00 H new ATOM 1410 N GLN B 42 8.624 9.264 4.097 1.00 0.00 N ATOM 1411 CA GLN B 42 9.876 9.901 3.700 1.00 0.00 C ATOM 1412 C GLN B 42 10.060 9.888 2.182 1.00 0.00 C ATOM 1413 O GLN B 42 10.855 10.657 1.643 1.00 0.00 O ATOM 1414 CB GLN B 42 11.059 9.198 4.369 1.00 0.00 C ATOM 1415 CG GLN B 42 11.324 9.672 5.790 1.00 0.00 C ATOM 1416 CD GLN B 42 12.691 10.311 5.950 1.00 0.00 C ATOM 1417 OE1 GLN B 42 13.090 11.161 5.154 1.00 0.00 O ATOM 1418 NE2 GLN B 42 13.417 9.903 6.986 1.00 0.00 N ATOM 0 H GLN B 42 8.728 8.312 4.449 1.00 0.00 H new ATOM 0 HA GLN B 42 9.835 10.940 4.026 1.00 0.00 H new ATOM 0 HB2 GLN B 42 10.873 8.124 4.382 1.00 0.00 H new ATOM 0 HB3 GLN B 42 11.954 9.359 3.768 1.00 0.00 H new ATOM 0 HG2 GLN B 42 10.556 10.390 6.078 1.00 0.00 H new ATOM 0 HG3 GLN B 42 11.241 8.826 6.472 1.00 0.00 H new ATOM 0 HE21 GLN B 42 13.047 9.196 7.621 1.00 0.00 H new ATOM 0 HE22 GLN B 42 14.344 10.297 7.146 1.00 0.00 H new ATOM 1427 N CYS B 43 9.330 9.012 1.492 1.00 0.00 N ATOM 1428 CA CYS B 43 9.433 8.912 0.042 1.00 0.00 C ATOM 1429 C CYS B 43 8.263 9.603 -0.650 1.00 0.00 C ATOM 1430 O CYS B 43 8.404 10.116 -1.760 1.00 0.00 O ATOM 1431 CB CYS B 43 9.498 7.443 -0.385 1.00 0.00 C ATOM 1432 SG CYS B 43 11.134 6.694 -0.209 1.00 0.00 S ATOM 0 H CYS B 43 8.664 8.365 1.915 1.00 0.00 H new ATOM 0 HA CYS B 43 10.350 9.417 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS B 43 8.783 6.872 0.207 1.00 0.00 H new ATOM 0 HB3 CYS B 43 9.184 7.364 -1.426 1.00 0.00 H new ATOM 1437 N GLN B 44 7.104 9.613 0.003 1.00 0.00 N ATOM 1438 CA GLN B 44 5.916 10.246 -0.567 1.00 0.00 C ATOM 1439 C GLN B 44 6.166 11.727 -0.847 1.00 0.00 C ATOM 1440 O GLN B 44 5.773 12.247 -1.891 1.00 0.00 O ATOM 1441 CB GLN B 44 4.711 10.072 0.367 1.00 0.00 C ATOM 1442 CG GLN B 44 4.793 10.888 1.650 1.00 0.00 C ATOM 1443 CD GLN B 44 3.544 10.767 2.499 1.00 0.00 C ATOM 1444 OE1 GLN B 44 3.226 9.548 2.921 1.00 0.00 O flip ATOM 1445 NE2 GLN B 44 2.869 11.760 2.777 1.00 0.00 N flip ATOM 0 H GLN B 44 6.961 9.193 0.922 1.00 0.00 H new ATOM 0 HA GLN B 44 5.694 9.755 -1.514 1.00 0.00 H new ATOM 0 HB2 GLN B 44 3.805 10.352 -0.171 1.00 0.00 H new ATOM 0 HB3 GLN B 44 4.615 9.017 0.626 1.00 0.00 H new ATOM 0 HG2 GLN B 44 5.655 10.560 2.230 1.00 0.00 H new ATOM 0 HG3 GLN B 44 4.957 11.936 1.400 1.00 0.00 H new ATOM 0 HE21 GLN B 44 3.148 12.679 2.433 1.00 0.00 H new ATOM 0 HE22 GLN B 44 2.032 11.663 3.351 1.00 0.00 H new ATOM 1454 N GLN B 45 6.819 12.399 0.096 1.00 0.00 N ATOM 1455 CA GLN B 45 7.120 13.818 -0.048 1.00 0.00 C ATOM 1456 C GLN B 45 8.476 14.026 -0.714 1.00 0.00 C ATOM 1457 O GLN B 45 9.297 13.111 -0.774 1.00 0.00 O ATOM 1458 CB GLN B 45 7.099 14.508 1.317 1.00 0.00 C ATOM 1459 CG GLN B 45 5.703 14.898 1.777 1.00 0.00 C ATOM 1460 CD GLN B 45 5.554 14.856 3.287 1.00 0.00 C ATOM 1461 OE1 GLN B 45 5.153 15.841 3.908 1.00 0.00 O ATOM 1462 NE2 GLN B 45 5.876 13.715 3.882 1.00 0.00 N ATOM 0 H GLN B 45 7.149 11.984 0.967 1.00 0.00 H new ATOM 0 HA GLN B 45 6.353 14.261 -0.684 1.00 0.00 H new ATOM 0 HB2 GLN B 45 7.545 13.844 2.058 1.00 0.00 H new ATOM 0 HB3 GLN B 45 7.722 15.402 1.273 1.00 0.00 H new ATOM 0 HG2 GLN B 45 5.474 15.902 1.421 1.00 0.00 H new ATOM 0 HG3 GLN B 45 4.974 14.226 1.325 1.00 0.00 H new ATOM 0 HE21 GLN B 45 6.204 12.925 3.326 1.00 0.00 H new ATOM 0 HE22 GLN B 45 5.796 13.628 4.895 1.00 0.00 H new ATOM 1471 N LYS B 46 8.704 15.238 -1.212 1.00 0.00 N ATOM 1472 CA LYS B 46 9.961 15.570 -1.871 1.00 0.00 C ATOM 1473 C LYS B 46 10.589 16.814 -1.251 1.00 0.00 C ATOM 1474 O LYS B 46 11.821 16.974 -1.366 1.00 0.00 O ATOM 1475 CB LYS B 46 9.730 15.794 -3.367 1.00 0.00 C ATOM 1476 CG LYS B 46 9.075 14.613 -4.066 1.00 0.00 C ATOM 1477 CD LYS B 46 10.104 13.733 -4.759 1.00 0.00 C ATOM 1478 CE LYS B 46 9.437 12.625 -5.557 1.00 0.00 C ATOM 1479 NZ LYS B 46 10.430 11.656 -6.100 1.00 0.00 N ATOM 1480 OXT LYS B 46 9.840 17.616 -0.653 1.00 0.00 O ATOM 0 H LYS B 46 8.034 16.006 -1.171 1.00 0.00 H new ATOM 0 HA LYS B 46 10.646 14.733 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS B 46 9.105 16.677 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS B 46 10.686 16.004 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS B 46 8.520 14.021 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS B 46 8.354 14.977 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS B 46 10.719 14.342 -5.422 1.00 0.00 H new ATOM 0 HD3 LYS B 46 10.772 13.297 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS B 46 8.725 12.098 -4.921 1.00 0.00 H new ATOM 0 HE3 LYS B 46 8.869 13.061 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 9.935 10.916 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 11.094 12.154 -6.727 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 10.955 11.221 -5.315 1.00 0.00 H new TER 1494 LYS B 46 HETATM 1495 ZN ZN A 147 -16.435 5.344 -9.558 1.00 0.00 ZN HETATM 1496 ZN ZN B 147 10.966 5.299 1.610 1.00 0.00 ZN