USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=16 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: B 20 LYS NZ :NH3+ -136:sc= 0.196 (180deg=0) USER MOD Set 1.2: B 24 HIS : no HD1:sc= 0.0328 X(o=0.23,f=-0.23) USER MOD Set 2.1: A 35 GLN :FLIP amide:sc= -0.632 X(o=-1.4,f=-1.3) USER MOD Set 2.2: B 35 GLN :FLIP amide:sc= -0.661 X(o=-1.3,f=-1.3) USER MOD Set 3.1: A 20 LYS NZ :NH3+ -137:sc= 0.2 (180deg=0) USER MOD Set 3.2: A 24 HIS : no HD1:sc= 0.0106 X(o=0.21,f=-0.23) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.381 F(o=-1,f=-0.38) 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= -0.55 USER MOD Single : A 18 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.2!) USER MOD Single : A 23 SER OG : rot 97:sc= 1.15 USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= 1.28 (180deg=-0.693) USER MOD Single : A 30 ASN : amide:sc= -1.12 K(o=-1.1,f=-4.7!) USER MOD Single : A 38 ASN : amide:sc= -0.831 K(o=-0.83,f=-2.3!) 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) USER MOD Single : A 44 GLN : amide:sc= -0.871 X(o=-0.87,f=-0.75) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN :FLIP amide:sc= -0.374 F(o=-1,f=-0.37) 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= -0.517 USER MOD Single : B 18 ASN : amide:sc= -0.0383 K(o=-0.038,f=-1.2) USER MOD Single : B 23 SER OG : rot 98:sc= 1.14 USER MOD Single : B 25 LYS NZ :NH3+ 147:sc= 1.19 (180deg=-0.705) USER MOD Single : B 30 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.9!) USER MOD Single : B 38 ASN : amide:sc= -0.815 K(o=-0.82,f=-2.4!) 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) USER MOD Single : B 44 GLN : amide:sc= -0.882 X(o=-0.88,f=-0.76) USER MOD Single : B 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -3.345 -12.216 -8.648 1.00 0.00 N ATOM 2 CA PHE A 1 -3.557 -10.810 -8.213 1.00 0.00 C ATOM 3 C PHE A 1 -4.655 -10.137 -9.034 1.00 0.00 C ATOM 4 O PHE A 1 -5.620 -9.611 -8.480 1.00 0.00 O ATOM 5 CB PHE A 1 -2.240 -10.048 -8.365 1.00 0.00 C ATOM 6 CG PHE A 1 -2.256 -8.695 -7.714 1.00 0.00 C ATOM 7 CD1 PHE A 1 -2.755 -8.534 -6.433 1.00 0.00 C ATOM 8 CD2 PHE A 1 -1.768 -7.584 -8.383 1.00 0.00 C ATOM 9 CE1 PHE A 1 -2.773 -7.292 -5.831 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.783 -6.337 -7.786 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.285 -6.191 -6.508 1.00 0.00 C ATOM 0 H1 PHE A 1 -2.594 -12.648 -8.073 1.00 0.00 H new ATOM 0 H2 PHE A 1 -4.227 -12.754 -8.526 1.00 0.00 H new ATOM 0 H3 PHE A 1 -3.066 -12.231 -9.650 1.00 0.00 H new ATOM 0 HA PHE A 1 -3.876 -10.803 -7.171 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -1.434 -10.641 -7.934 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -2.017 -9.930 -9.425 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -3.135 -9.391 -5.898 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.372 -7.693 -9.382 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -3.168 -7.181 -4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -1.402 -5.478 -8.319 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.296 -5.218 -6.039 1.00 0.00 H new ATOM 23 N LEU A 2 -4.497 -10.152 -10.354 1.00 0.00 N ATOM 24 CA LEU A 2 -5.474 -9.539 -11.250 1.00 0.00 C ATOM 25 C LEU A 2 -6.562 -10.529 -11.677 1.00 0.00 C ATOM 26 O LEU A 2 -7.265 -10.293 -12.661 1.00 0.00 O ATOM 27 CB LEU A 2 -4.770 -8.983 -12.487 1.00 0.00 C ATOM 28 CG LEU A 2 -4.168 -7.588 -12.319 1.00 0.00 C ATOM 29 CD1 LEU A 2 -5.219 -6.605 -11.832 1.00 0.00 C ATOM 30 CD2 LEU A 2 -2.988 -7.630 -11.357 1.00 0.00 C ATOM 0 H LEU A 2 -3.702 -10.582 -10.828 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.957 -8.730 -10.703 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.976 -9.672 -12.774 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.483 -8.957 -13.311 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.809 -7.250 -13.291 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.770 -5.618 -11.719 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.032 -6.553 -12.556 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.611 -6.938 -10.871 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -2.571 -6.629 -11.249 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.324 -7.990 -10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.223 -8.301 -11.748 1.00 0.00 H new ATOM 42 N GLU A 3 -6.700 -11.633 -10.944 1.00 0.00 N ATOM 43 CA GLU A 3 -7.705 -12.638 -11.265 1.00 0.00 C ATOM 44 C GLU A 3 -9.019 -12.342 -10.546 1.00 0.00 C ATOM 45 O GLU A 3 -10.075 -12.254 -11.172 1.00 0.00 O ATOM 46 CB GLU A 3 -7.202 -14.031 -10.886 1.00 0.00 C ATOM 47 CG GLU A 3 -6.062 -14.525 -11.761 1.00 0.00 C ATOM 48 CD GLU A 3 -6.457 -14.647 -13.220 1.00 0.00 C ATOM 49 OE1 GLU A 3 -7.283 -15.528 -13.541 1.00 0.00 O ATOM 50 OE2 GLU A 3 -5.941 -13.861 -14.043 1.00 0.00 O ATOM 0 H GLU A 3 -6.129 -11.851 -10.127 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.886 -12.606 -12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.873 -14.019 -9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.030 -14.737 -10.950 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.218 -13.840 -11.673 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.724 -15.496 -11.398 1.00 0.00 H new ATOM 57 N LYS A 4 -8.944 -12.191 -9.226 1.00 0.00 N ATOM 58 CA LYS A 4 -10.128 -11.906 -8.419 1.00 0.00 C ATOM 59 C LYS A 4 -10.348 -10.400 -8.283 1.00 0.00 C ATOM 60 O LYS A 4 -11.479 -9.944 -8.112 1.00 0.00 O ATOM 61 CB LYS A 4 -9.989 -12.539 -7.032 1.00 0.00 C ATOM 62 CG LYS A 4 -9.945 -14.061 -7.062 1.00 0.00 C ATOM 63 CD LYS A 4 -11.246 -14.673 -6.560 1.00 0.00 C ATOM 64 CE LYS A 4 -11.357 -16.140 -6.944 1.00 0.00 C ATOM 65 NZ LYS A 4 -12.300 -16.875 -6.058 1.00 0.00 N ATOM 0 H LYS A 4 -8.077 -12.261 -8.693 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.993 -12.336 -8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.080 -12.166 -6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.825 -12.220 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.753 -14.399 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.116 -14.413 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.301 -14.575 -5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.091 -14.123 -6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.693 -16.220 -7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.372 -16.605 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.348 -17.871 -6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.966 -16.820 -5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.246 -16.448 -6.127 1.00 0.00 H new ATOM 79 N ILE A 5 -9.265 -9.631 -8.358 1.00 0.00 N ATOM 80 CA ILE A 5 -9.348 -8.181 -8.243 1.00 0.00 C ATOM 81 C ILE A 5 -9.956 -7.560 -9.500 1.00 0.00 C ATOM 82 O ILE A 5 -10.713 -6.593 -9.421 1.00 0.00 O ATOM 83 CB ILE A 5 -7.959 -7.558 -7.985 1.00 0.00 C ATOM 84 CG1 ILE A 5 -7.302 -8.218 -6.772 1.00 0.00 C ATOM 85 CG2 ILE A 5 -8.072 -6.053 -7.779 1.00 0.00 C ATOM 86 CD1 ILE A 5 -5.915 -7.692 -6.475 1.00 0.00 C ATOM 0 H ILE A 5 -8.320 -9.989 -8.498 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.995 -7.966 -7.393 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.333 -7.734 -8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.935 -8.065 -5.898 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.246 -9.294 -6.940 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.082 -5.635 -7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.503 -5.595 -8.670 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.713 -5.850 -6.921 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.510 -8.205 -5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.267 -7.870 -7.333 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.967 -6.622 -6.275 1.00 0.00 H new ATOM 98 N GLU A 6 -9.618 -8.119 -10.662 1.00 0.00 N ATOM 99 CA GLU A 6 -10.133 -7.611 -11.934 1.00 0.00 C ATOM 100 C GLU A 6 -11.665 -7.587 -11.937 1.00 0.00 C ATOM 101 O GLU A 6 -12.269 -6.527 -12.102 1.00 0.00 O ATOM 102 CB GLU A 6 -9.612 -8.461 -13.097 1.00 0.00 C ATOM 103 CG GLU A 6 -8.406 -7.858 -13.800 1.00 0.00 C ATOM 104 CD GLU A 6 -8.184 -8.433 -15.187 1.00 0.00 C ATOM 105 OE1 GLU A 6 -9.079 -9.146 -15.688 1.00 0.00 O ATOM 106 OE2 GLU A 6 -7.113 -8.168 -15.773 1.00 0.00 O ATOM 0 H GLU A 6 -8.993 -8.920 -10.749 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.778 -6.588 -12.059 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.347 -9.450 -12.723 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.414 -8.599 -13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.538 -6.779 -13.876 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.516 -8.028 -13.195 1.00 0.00 H new ATOM 113 N PRO A 7 -12.325 -8.752 -11.747 1.00 0.00 N ATOM 114 CA PRO A 7 -13.791 -8.839 -11.726 1.00 0.00 C ATOM 115 C PRO A 7 -14.435 -7.729 -10.895 1.00 0.00 C ATOM 116 O PRO A 7 -15.492 -7.207 -11.251 1.00 0.00 O ATOM 117 CB PRO A 7 -14.049 -10.198 -11.080 1.00 0.00 C ATOM 118 CG PRO A 7 -12.866 -11.023 -11.450 1.00 0.00 C ATOM 119 CD PRO A 7 -11.698 -10.076 -11.537 1.00 0.00 C ATOM 0 HA PRO A 7 -14.218 -8.729 -12.723 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.148 -10.110 -9.998 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.973 -10.643 -11.449 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.684 -11.797 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.028 -11.529 -12.402 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.100 -10.095 -10.626 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.033 -10.338 -12.360 1.00 0.00 H new ATOM 127 N ALA A 8 -13.789 -7.378 -9.789 1.00 0.00 N ATOM 128 CA ALA A 8 -14.293 -6.333 -8.909 1.00 0.00 C ATOM 129 C ALA A 8 -14.189 -4.964 -9.574 1.00 0.00 C ATOM 130 O ALA A 8 -15.030 -4.091 -9.357 1.00 0.00 O ATOM 131 CB ALA A 8 -13.538 -6.342 -7.590 1.00 0.00 C ATOM 0 H ALA A 8 -12.914 -7.803 -9.481 1.00 0.00 H new ATOM 0 HA ALA A 8 -15.346 -6.534 -8.710 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.926 -5.555 -6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.667 -7.309 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.478 -6.168 -7.776 1.00 0.00 H new ATOM 137 N GLN A 9 -13.152 -4.786 -10.384 1.00 0.00 N ATOM 138 CA GLN A 9 -12.937 -3.525 -11.082 1.00 0.00 C ATOM 139 C GLN A 9 -14.048 -3.271 -12.097 1.00 0.00 C ATOM 140 O GLN A 9 -14.489 -2.136 -12.278 1.00 0.00 O ATOM 141 CB GLN A 9 -11.571 -3.530 -11.778 1.00 0.00 C ATOM 142 CG GLN A 9 -10.509 -2.744 -11.029 1.00 0.00 C ATOM 143 CD GLN A 9 -9.122 -3.328 -11.201 1.00 0.00 C ATOM 144 OE1 GLN A 9 -8.938 -4.563 -10.751 1.00 0.00 O flip ATOM 145 NE2 GLN A 9 -8.223 -2.675 -11.732 1.00 0.00 N flip ATOM 0 H GLN A 9 -12.447 -5.499 -10.573 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.955 -2.720 -10.348 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.235 -4.560 -11.895 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.681 -3.115 -12.780 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.511 -1.712 -11.380 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.760 -2.720 -9.969 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.408 -1.728 -12.064 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.293 -3.081 -11.840 1.00 0.00 H new ATOM 154 N GLU A 10 -14.498 -4.335 -12.752 1.00 0.00 N ATOM 155 CA GLU A 10 -15.560 -4.226 -13.745 1.00 0.00 C ATOM 156 C GLU A 10 -16.887 -3.874 -13.083 1.00 0.00 C ATOM 157 O GLU A 10 -17.725 -3.189 -13.670 1.00 0.00 O ATOM 158 CB GLU A 10 -15.697 -5.535 -14.523 1.00 0.00 C ATOM 159 CG GLU A 10 -14.570 -5.777 -15.514 1.00 0.00 C ATOM 160 CD GLU A 10 -14.766 -5.035 -16.825 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.873 -4.498 -17.044 1.00 0.00 O ATOM 162 OE2 GLU A 10 -13.813 -4.993 -17.631 1.00 0.00 O ATOM 0 H GLU A 10 -14.145 -5.282 -12.614 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.295 -3.427 -14.437 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.733 -6.365 -13.817 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.646 -5.531 -15.059 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.626 -5.468 -15.065 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.493 -6.846 -15.715 1.00 0.00 H new ATOM 169 N GLU A 11 -17.072 -4.347 -11.854 1.00 0.00 N ATOM 170 CA GLU A 11 -18.296 -4.083 -11.109 1.00 0.00 C ATOM 171 C GLU A 11 -18.401 -2.609 -10.741 1.00 0.00 C ATOM 172 O GLU A 11 -19.484 -2.025 -10.798 1.00 0.00 O ATOM 173 CB GLU A 11 -18.345 -4.944 -9.845 1.00 0.00 C ATOM 174 CG GLU A 11 -19.615 -4.759 -9.029 1.00 0.00 C ATOM 175 CD GLU A 11 -20.841 -5.322 -9.722 1.00 0.00 C ATOM 176 OE1 GLU A 11 -20.740 -6.418 -10.313 1.00 0.00 O ATOM 177 OE2 GLU A 11 -21.903 -4.665 -9.675 1.00 0.00 O ATOM 0 H GLU A 11 -16.389 -4.915 -11.354 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.142 -4.340 -11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.254 -5.993 -10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.484 -4.706 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.494 -5.245 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.767 -3.697 -8.836 1.00 0.00 H new ATOM 184 N HIS A 12 -17.278 -2.005 -10.367 1.00 0.00 N ATOM 185 CA HIS A 12 -17.276 -0.595 -10.005 1.00 0.00 C ATOM 186 C HIS A 12 -17.571 0.273 -11.227 1.00 0.00 C ATOM 187 O HIS A 12 -18.268 1.275 -11.133 1.00 0.00 O ATOM 188 CB HIS A 12 -15.939 -0.174 -9.379 1.00 0.00 C ATOM 189 CG HIS A 12 -15.947 1.261 -8.962 1.00 0.00 C ATOM 190 ND1 HIS A 12 -15.938 1.693 -7.652 1.00 0.00 N ATOM 191 CD2 HIS A 12 -16.094 2.367 -9.723 1.00 0.00 C ATOM 192 CE1 HIS A 12 -16.097 3.026 -7.663 1.00 0.00 C ATOM 193 NE2 HIS A 12 -16.197 3.479 -8.898 1.00 0.00 N ATOM 0 H HIS A 12 -16.369 -2.464 -10.307 1.00 0.00 H new ATOM 0 HA HIS A 12 -18.060 -0.449 -9.262 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -15.729 -0.803 -8.513 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.134 -0.340 -10.095 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -15.830 1.106 -6.825 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.126 2.384 -10.802 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.138 3.645 -6.779 1.00 0.00 H new ATOM 201 N GLU A 13 -17.022 -0.113 -12.366 1.00 0.00 N ATOM 202 CA GLU A 13 -17.218 0.641 -13.599 1.00 0.00 C ATOM 203 C GLU A 13 -18.675 0.613 -14.072 1.00 0.00 C ATOM 204 O GLU A 13 -19.042 1.358 -14.980 1.00 0.00 O ATOM 205 CB GLU A 13 -16.310 0.088 -14.696 1.00 0.00 C ATOM 206 CG GLU A 13 -14.830 0.325 -14.434 1.00 0.00 C ATOM 207 CD GLU A 13 -13.948 -0.208 -15.546 1.00 0.00 C ATOM 208 OE1 GLU A 13 -13.994 -1.428 -15.806 1.00 0.00 O ATOM 209 OE2 GLU A 13 -13.210 0.595 -16.156 1.00 0.00 O ATOM 0 H GLU A 13 -16.437 -0.943 -12.466 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.961 1.679 -13.389 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.486 -0.983 -14.797 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.581 0.547 -15.647 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.653 1.394 -14.315 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.551 -0.151 -13.494 1.00 0.00 H new ATOM 216 N LYS A 14 -19.501 -0.249 -13.478 1.00 0.00 N ATOM 217 CA LYS A 14 -20.901 -0.354 -13.885 1.00 0.00 C ATOM 218 C LYS A 14 -21.859 0.290 -12.879 1.00 0.00 C ATOM 219 O LYS A 14 -22.976 0.658 -13.240 1.00 0.00 O ATOM 220 CB LYS A 14 -21.275 -1.821 -14.088 1.00 0.00 C ATOM 221 CG LYS A 14 -22.400 -2.030 -15.087 1.00 0.00 C ATOM 222 CD LYS A 14 -22.769 -3.499 -15.212 1.00 0.00 C ATOM 223 CE LYS A 14 -21.730 -4.269 -16.011 1.00 0.00 C ATOM 224 NZ LYS A 14 -21.917 -4.098 -17.478 1.00 0.00 N ATOM 0 H LYS A 14 -19.229 -0.878 -12.722 1.00 0.00 H new ATOM 0 HA LYS A 14 -21.003 0.193 -14.822 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.395 -2.368 -14.425 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -21.568 -2.248 -13.129 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -23.275 -1.459 -14.776 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -22.099 -1.645 -16.061 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.863 -3.937 -14.218 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.742 -3.591 -15.695 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -20.733 -3.930 -15.731 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -21.790 -5.328 -15.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.189 -4.639 -17.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -22.859 -4.445 -17.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -21.834 -3.091 -17.723 1.00 0.00 H new ATOM 238 N TYR A 15 -21.439 0.415 -11.622 1.00 0.00 N ATOM 239 CA TYR A 15 -22.306 1.005 -10.598 1.00 0.00 C ATOM 240 C TYR A 15 -21.526 1.817 -9.559 1.00 0.00 C ATOM 241 O TYR A 15 -22.043 2.100 -8.479 1.00 0.00 O ATOM 242 CB TYR A 15 -23.086 -0.101 -9.886 1.00 0.00 C ATOM 243 CG TYR A 15 -23.756 -1.081 -10.822 1.00 0.00 C ATOM 244 CD1 TYR A 15 -25.021 -0.824 -11.336 1.00 0.00 C ATOM 245 CD2 TYR A 15 -23.130 -2.271 -11.185 1.00 0.00 C ATOM 246 CE1 TYR A 15 -25.643 -1.719 -12.184 1.00 0.00 C ATOM 247 CE2 TYR A 15 -23.746 -3.170 -12.033 1.00 0.00 C ATOM 248 CZ TYR A 15 -25.001 -2.891 -12.528 1.00 0.00 C ATOM 249 OH TYR A 15 -25.618 -3.785 -13.374 1.00 0.00 O ATOM 0 H TYR A 15 -20.520 0.122 -11.289 1.00 0.00 H new ATOM 0 HA TYR A 15 -22.984 1.689 -11.109 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -22.407 -0.646 -9.231 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -23.845 0.355 -9.250 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -25.527 0.092 -11.068 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -22.147 -2.494 -10.797 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -26.626 -1.503 -12.576 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -23.246 -4.087 -12.307 1.00 0.00 H new ATOM 0 HH TYR A 15 -25.032 -4.558 -13.517 1.00 0.00 H new ATOM 259 N HIS A 16 -20.281 2.179 -9.880 1.00 0.00 N ATOM 260 CA HIS A 16 -19.416 2.945 -8.969 1.00 0.00 C ATOM 261 C HIS A 16 -19.519 2.444 -7.526 1.00 0.00 C ATOM 262 O HIS A 16 -19.584 3.231 -6.582 1.00 0.00 O ATOM 263 CB HIS A 16 -19.728 4.443 -9.037 1.00 0.00 C ATOM 264 CG HIS A 16 -19.369 5.070 -10.352 1.00 0.00 C ATOM 265 ND1 HIS A 16 -18.085 5.489 -10.645 1.00 0.00 N ATOM 266 CD2 HIS A 16 -20.165 5.333 -11.419 1.00 0.00 C ATOM 267 CE1 HIS A 16 -18.133 5.989 -11.865 1.00 0.00 C ATOM 268 NE2 HIS A 16 -19.371 5.916 -12.375 1.00 0.00 N ATOM 0 H HIS A 16 -19.843 1.952 -10.773 1.00 0.00 H new ATOM 0 HA HIS A 16 -18.390 2.789 -9.302 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -20.791 4.593 -8.850 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -19.189 4.955 -8.240 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -21.221 5.124 -11.501 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -17.283 6.404 -12.387 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -19.667 6.233 -13.298 1.00 0.00 H new ATOM 276 N SER A 17 -19.536 1.122 -7.376 1.00 0.00 N ATOM 277 CA SER A 17 -19.639 0.490 -6.065 1.00 0.00 C ATOM 278 C SER A 17 -18.525 0.955 -5.132 1.00 0.00 C ATOM 279 O SER A 17 -17.424 1.281 -5.575 1.00 0.00 O ATOM 280 CB SER A 17 -19.590 -1.033 -6.215 1.00 0.00 C ATOM 281 OG SER A 17 -20.786 -1.527 -6.791 1.00 0.00 O ATOM 0 H SER A 17 -19.479 0.464 -8.153 1.00 0.00 H new ATOM 0 HA SER A 17 -20.592 0.784 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.740 -1.313 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 17 -19.436 -1.493 -5.239 1.00 0.00 H new ATOM 0 HG SER A 17 -20.729 -2.501 -6.878 1.00 0.00 H new ATOM 287 N ASN A 18 -18.820 0.977 -3.836 1.00 0.00 N ATOM 288 CA ASN A 18 -17.843 1.396 -2.837 1.00 0.00 C ATOM 289 C ASN A 18 -16.991 0.214 -2.389 1.00 0.00 C ATOM 290 O ASN A 18 -17.259 -0.930 -2.756 1.00 0.00 O ATOM 291 CB ASN A 18 -18.551 2.019 -1.633 1.00 0.00 C ATOM 292 CG ASN A 18 -19.090 3.403 -1.930 1.00 0.00 C ATOM 293 OD1 ASN A 18 -18.521 4.144 -2.734 1.00 0.00 O ATOM 294 ND2 ASN A 18 -20.191 3.763 -1.282 1.00 0.00 N ATOM 0 H ASN A 18 -19.727 0.710 -3.453 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.189 2.142 -3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.371 1.372 -1.323 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -17.856 2.075 -0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.598 4.685 -1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.630 3.118 -0.625 1.00 0.00 H new ATOM 301 N VAL A 19 -15.963 0.496 -1.590 1.00 0.00 N ATOM 302 CA VAL A 19 -15.065 -0.544 -1.089 1.00 0.00 C ATOM 303 C VAL A 19 -15.840 -1.672 -0.413 1.00 0.00 C ATOM 304 O VAL A 19 -15.671 -2.843 -0.752 1.00 0.00 O ATOM 305 CB VAL A 19 -14.047 0.037 -0.090 1.00 0.00 C ATOM 306 CG1 VAL A 19 -13.029 -1.015 0.326 1.00 0.00 C ATOM 307 CG2 VAL A 19 -13.357 1.254 -0.684 1.00 0.00 C ATOM 0 H VAL A 19 -15.731 1.438 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.534 -0.946 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.586 0.350 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.322 -0.578 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.543 -1.852 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.492 -1.369 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.641 1.653 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.834 0.967 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.100 2.016 -0.917 1.00 0.00 H new ATOM 317 N LYS A 20 -16.684 -1.310 0.544 1.00 0.00 N ATOM 318 CA LYS A 20 -17.484 -2.293 1.269 1.00 0.00 C ATOM 319 C LYS A 20 -18.347 -3.111 0.313 1.00 0.00 C ATOM 320 O LYS A 20 -18.654 -4.273 0.576 1.00 0.00 O ATOM 321 CB LYS A 20 -18.365 -1.602 2.310 1.00 0.00 C ATOM 322 CG LYS A 20 -18.507 -2.384 3.605 1.00 0.00 C ATOM 323 CD LYS A 20 -19.397 -3.605 3.421 1.00 0.00 C ATOM 324 CE LYS A 20 -20.123 -3.961 4.708 1.00 0.00 C ATOM 325 NZ LYS A 20 -20.912 -5.217 4.570 1.00 0.00 N ATOM 0 H LYS A 20 -16.834 -0.345 0.837 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.800 -2.972 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.947 -0.620 2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.355 -1.438 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.523 -2.698 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.926 -1.739 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.124 -3.411 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.793 -4.452 3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.398 -4.074 5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.787 -3.144 4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.843 -5.093 5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -21.039 -5.438 3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.406 -5.998 5.034 1.00 0.00 H new ATOM 339 N GLU A 21 -18.734 -2.496 -0.802 1.00 0.00 N ATOM 340 CA GLU A 21 -19.558 -3.172 -1.796 1.00 0.00 C ATOM 341 C GLU A 21 -18.727 -4.175 -2.590 1.00 0.00 C ATOM 342 O GLU A 21 -19.154 -5.307 -2.811 1.00 0.00 O ATOM 343 CB GLU A 21 -20.195 -2.151 -2.738 1.00 0.00 C ATOM 344 CG GLU A 21 -21.141 -2.766 -3.754 1.00 0.00 C ATOM 345 CD GLU A 21 -22.518 -3.038 -3.180 1.00 0.00 C ATOM 346 OE1 GLU A 21 -22.859 -2.431 -2.143 1.00 0.00 O ATOM 347 OE2 GLU A 21 -23.257 -3.855 -3.768 1.00 0.00 O ATOM 0 H GLU A 21 -18.490 -1.534 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.349 -3.713 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.739 -1.415 -2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.406 -1.616 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -21.234 -2.097 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.715 -3.699 -4.123 1.00 0.00 H new ATOM 354 N LEU A 22 -17.538 -3.754 -3.013 1.00 0.00 N ATOM 355 CA LEU A 22 -16.651 -4.623 -3.777 1.00 0.00 C ATOM 356 C LEU A 22 -16.113 -5.750 -2.903 1.00 0.00 C ATOM 357 O LEU A 22 -16.024 -6.898 -3.337 1.00 0.00 O ATOM 358 CB LEU A 22 -15.479 -3.823 -4.362 1.00 0.00 C ATOM 359 CG LEU A 22 -15.783 -3.008 -5.626 1.00 0.00 C ATOM 360 CD1 LEU A 22 -16.544 -3.842 -6.650 1.00 0.00 C ATOM 361 CD2 LEU A 22 -16.562 -1.751 -5.273 1.00 0.00 C ATOM 0 H LEU A 22 -17.168 -2.819 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 22 -17.230 -5.054 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -15.111 -3.142 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.669 -4.516 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.834 -2.714 -6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.745 -3.238 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.945 -4.708 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.487 -4.177 -6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.769 -1.184 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -17.502 -2.028 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.974 -1.138 -4.589 1.00 0.00 H new ATOM 373 N SER A 23 -15.748 -5.412 -1.667 1.00 0.00 N ATOM 374 CA SER A 23 -15.211 -6.398 -0.736 1.00 0.00 C ATOM 375 C SER A 23 -16.297 -7.356 -0.254 1.00 0.00 C ATOM 376 O SER A 23 -16.042 -8.542 -0.046 1.00 0.00 O ATOM 377 CB SER A 23 -14.569 -5.696 0.463 1.00 0.00 C ATOM 378 OG SER A 23 -14.244 -6.622 1.485 1.00 0.00 O ATOM 0 H SER A 23 -15.815 -4.467 -1.290 1.00 0.00 H new ATOM 0 HA SER A 23 -14.455 -6.979 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.668 -5.173 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 23 -15.252 -4.942 0.855 1.00 0.00 H new ATOM 0 HG SER A 23 -13.299 -6.872 1.412 1.00 0.00 H new ATOM 384 N HIS A 24 -17.508 -6.837 -0.072 1.00 0.00 N ATOM 385 CA HIS A 24 -18.626 -7.652 0.394 1.00 0.00 C ATOM 386 C HIS A 24 -19.237 -8.461 -0.748 1.00 0.00 C ATOM 387 O HIS A 24 -19.734 -9.568 -0.539 1.00 0.00 O ATOM 388 CB HIS A 24 -19.695 -6.768 1.036 1.00 0.00 C ATOM 389 CG HIS A 24 -20.751 -7.542 1.762 1.00 0.00 C ATOM 390 ND1 HIS A 24 -21.956 -6.973 2.095 1.00 0.00 N ATOM 391 CD2 HIS A 24 -20.731 -8.824 2.197 1.00 0.00 C ATOM 392 CE1 HIS A 24 -22.641 -7.916 2.719 1.00 0.00 C ATOM 393 NE2 HIS A 24 -21.939 -9.055 2.807 1.00 0.00 N ATOM 0 H HIS A 24 -17.740 -5.858 -0.240 1.00 0.00 H new ATOM 0 HA HIS A 24 -18.242 -8.350 1.138 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -19.216 -6.080 1.733 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -20.167 -6.162 0.263 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -19.921 -9.529 2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -23.640 -7.785 3.109 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -22.244 -9.925 3.243 1.00 0.00 H new ATOM 401 N LYS A 25 -19.209 -7.900 -1.953 1.00 0.00 N ATOM 402 CA LYS A 25 -19.771 -8.572 -3.119 1.00 0.00 C ATOM 403 C LYS A 25 -18.832 -9.653 -3.646 1.00 0.00 C ATOM 404 O LYS A 25 -19.280 -10.689 -4.137 1.00 0.00 O ATOM 405 CB LYS A 25 -20.064 -7.556 -4.228 1.00 0.00 C ATOM 406 CG LYS A 25 -20.909 -8.116 -5.358 1.00 0.00 C ATOM 407 CD LYS A 25 -20.048 -8.569 -6.526 1.00 0.00 C ATOM 408 CE LYS A 25 -20.653 -9.773 -7.230 1.00 0.00 C ATOM 409 NZ LYS A 25 -20.388 -11.038 -6.494 1.00 0.00 N ATOM 0 H LYS A 25 -18.804 -6.984 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.701 -9.049 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.575 -6.696 -3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.120 -7.194 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.498 -8.957 -4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.614 -7.357 -5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.936 -7.750 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.049 -8.819 -6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.729 -9.631 -7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.244 -9.847 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.211 -11.668 -6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -19.552 -11.506 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.215 -10.826 -5.491 1.00 0.00 H new ATOM 423 N PHE A 26 -17.530 -9.406 -3.547 1.00 0.00 N ATOM 424 CA PHE A 26 -16.535 -10.361 -4.022 1.00 0.00 C ATOM 425 C PHE A 26 -15.769 -10.985 -2.858 1.00 0.00 C ATOM 426 O PHE A 26 -15.901 -12.177 -2.585 1.00 0.00 O ATOM 427 CB PHE A 26 -15.561 -9.676 -4.982 1.00 0.00 C ATOM 428 CG PHE A 26 -16.204 -9.234 -6.266 1.00 0.00 C ATOM 429 CD1 PHE A 26 -16.291 -10.096 -7.346 1.00 0.00 C ATOM 430 CD2 PHE A 26 -16.722 -7.955 -6.390 1.00 0.00 C ATOM 431 CE1 PHE A 26 -16.883 -9.691 -8.528 1.00 0.00 C ATOM 432 CE2 PHE A 26 -17.316 -7.544 -7.567 1.00 0.00 C ATOM 433 CZ PHE A 26 -17.397 -8.415 -8.638 1.00 0.00 C ATOM 0 H PHE A 26 -17.140 -8.555 -3.143 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.059 -11.157 -4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -15.122 -8.810 -4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.744 -10.361 -5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.892 -11.096 -7.264 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.661 -7.271 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.943 -10.372 -9.364 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.716 -6.544 -7.651 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.862 -8.097 -9.559 1.00 0.00 H new ATOM 443 N GLY A 27 -14.966 -10.171 -2.181 1.00 0.00 N ATOM 444 CA GLY A 27 -14.188 -10.664 -1.057 1.00 0.00 C ATOM 445 C GLY A 27 -12.725 -10.282 -1.161 1.00 0.00 C ATOM 446 O GLY A 27 -11.894 -11.090 -1.575 1.00 0.00 O ATOM 0 H GLY A 27 -14.839 -9.181 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.600 -10.266 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.275 -11.749 -1.005 1.00 0.00 H new ATOM 450 N ILE A 28 -12.412 -9.047 -0.789 1.00 0.00 N ATOM 451 CA ILE A 28 -11.042 -8.556 -0.846 1.00 0.00 C ATOM 452 C ILE A 28 -10.774 -7.540 0.264 1.00 0.00 C ATOM 453 O ILE A 28 -11.667 -6.781 0.642 1.00 0.00 O ATOM 454 CB ILE A 28 -10.741 -7.901 -2.207 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.797 -6.840 -2.529 1.00 0.00 C ATOM 456 CG2 ILE A 28 -10.690 -8.954 -3.303 1.00 0.00 C ATOM 457 CD1 ILE A 28 -11.557 -6.129 -3.842 1.00 0.00 C ATOM 0 H ILE A 28 -13.090 -8.367 -0.444 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.389 -9.418 -0.710 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.767 -7.415 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.779 -7.312 -2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.818 -6.104 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.476 -8.475 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.907 -9.677 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.651 -9.466 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.343 -5.392 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.590 -5.628 -3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.565 -6.854 -4.655 1.00 0.00 H new ATOM 469 N PRO A 29 -9.538 -7.503 0.805 1.00 0.00 N ATOM 470 CA PRO A 29 -9.179 -6.564 1.873 1.00 0.00 C ATOM 471 C PRO A 29 -9.537 -5.124 1.520 1.00 0.00 C ATOM 472 O PRO A 29 -9.564 -4.750 0.346 1.00 0.00 O ATOM 473 CB PRO A 29 -7.662 -6.723 1.995 1.00 0.00 C ATOM 474 CG PRO A 29 -7.384 -8.102 1.502 1.00 0.00 C ATOM 475 CD PRO A 29 -8.399 -8.365 0.424 1.00 0.00 C ATOM 0 HA PRO A 29 -9.717 -6.774 2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.137 -5.976 1.399 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.333 -6.597 3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.370 -8.180 1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.472 -8.830 2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.013 -8.107 -0.562 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.685 -9.416 0.390 1.00 0.00 H new ATOM 483 N ASN A 30 -9.814 -4.319 2.541 1.00 0.00 N ATOM 484 CA ASN A 30 -10.176 -2.917 2.342 1.00 0.00 C ATOM 485 C ASN A 30 -9.118 -2.178 1.521 1.00 0.00 C ATOM 486 O ASN A 30 -9.419 -1.194 0.846 1.00 0.00 O ATOM 487 CB ASN A 30 -10.362 -2.225 3.694 1.00 0.00 C ATOM 488 CG ASN A 30 -11.262 -1.006 3.601 1.00 0.00 C ATOM 489 OD1 ASN A 30 -10.848 0.050 3.120 1.00 0.00 O ATOM 490 ND2 ASN A 30 -12.500 -1.148 4.058 1.00 0.00 N ATOM 0 H ASN A 30 -9.795 -4.613 3.517 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.114 -2.890 1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.786 -2.933 4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.389 -1.926 4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.151 -0.364 4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.800 -2.041 4.448 1.00 0.00 H new ATOM 497 N LEU A 31 -7.880 -2.660 1.581 1.00 0.00 N ATOM 498 CA LEU A 31 -6.784 -2.045 0.840 1.00 0.00 C ATOM 499 C LEU A 31 -6.947 -2.273 -0.659 1.00 0.00 C ATOM 500 O LEU A 31 -6.805 -1.344 -1.456 1.00 0.00 O ATOM 501 CB LEU A 31 -5.444 -2.612 1.317 1.00 0.00 C ATOM 502 CG LEU A 31 -4.207 -2.032 0.624 1.00 0.00 C ATOM 503 CD1 LEU A 31 -3.655 -0.856 1.415 1.00 0.00 C ATOM 504 CD2 LEU A 31 -3.142 -3.106 0.448 1.00 0.00 C ATOM 0 H LEU A 31 -7.611 -3.474 2.134 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.803 -0.971 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.355 -2.438 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.451 -3.692 1.169 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.501 -1.674 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.777 -0.457 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.416 -0.079 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.377 -1.189 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.270 -2.677 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.851 -3.494 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.541 -3.918 -0.161 1.00 0.00 H new ATOM 516 N VAL A 32 -7.245 -3.511 -1.039 1.00 0.00 N ATOM 517 CA VAL A 32 -7.427 -3.856 -2.444 1.00 0.00 C ATOM 518 C VAL A 32 -8.644 -3.149 -3.029 1.00 0.00 C ATOM 519 O VAL A 32 -8.578 -2.574 -4.117 1.00 0.00 O ATOM 520 CB VAL A 32 -7.590 -5.376 -2.638 1.00 0.00 C ATOM 521 CG1 VAL A 32 -7.579 -5.730 -4.118 1.00 0.00 C ATOM 522 CG2 VAL A 32 -6.497 -6.128 -1.894 1.00 0.00 C ATOM 0 H VAL A 32 -7.366 -4.292 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.529 -3.527 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.553 -5.676 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.695 -6.807 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.401 -5.220 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.633 -5.417 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.628 -7.200 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.522 -5.825 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.557 -5.899 -0.830 1.00 0.00 H new ATOM 532 N ALA A 33 -9.756 -3.198 -2.304 1.00 0.00 N ATOM 533 CA ALA A 33 -10.988 -2.565 -2.755 1.00 0.00 C ATOM 534 C ALA A 33 -10.819 -1.054 -2.866 1.00 0.00 C ATOM 535 O ALA A 33 -11.387 -0.421 -3.754 1.00 0.00 O ATOM 536 CB ALA A 33 -12.131 -2.902 -1.810 1.00 0.00 C ATOM 0 H ALA A 33 -9.829 -3.669 -1.402 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.225 -2.952 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.045 -2.422 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.275 -3.982 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.893 -2.543 -0.809 1.00 0.00 H new ATOM 542 N ARG A 34 -10.033 -0.481 -1.959 1.00 0.00 N ATOM 543 CA ARG A 34 -9.792 0.957 -1.962 1.00 0.00 C ATOM 544 C ARG A 34 -9.109 1.387 -3.256 1.00 0.00 C ATOM 545 O ARG A 34 -9.371 2.473 -3.776 1.00 0.00 O ATOM 546 CB ARG A 34 -8.933 1.355 -0.762 1.00 0.00 C ATOM 547 CG ARG A 34 -9.745 1.705 0.475 1.00 0.00 C ATOM 548 CD ARG A 34 -8.890 1.666 1.733 1.00 0.00 C ATOM 549 NE ARG A 34 -7.840 2.681 1.717 1.00 0.00 N ATOM 550 CZ ARG A 34 -6.945 2.849 2.690 1.00 0.00 C ATOM 551 NH1 ARG A 34 -6.962 2.068 3.765 1.00 0.00 N ATOM 552 NH2 ARG A 34 -6.027 3.800 2.588 1.00 0.00 N ATOM 0 H ARG A 34 -9.554 -0.989 -1.215 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.755 1.463 -1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.255 0.536 -0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.315 2.210 -1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.177 2.699 0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.575 1.006 0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.525 1.816 2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.438 0.679 1.833 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.788 3.301 0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.664 1.333 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.273 2.204 4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.006 4.402 1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.342 3.929 3.332 1.00 0.00 H new ATOM 566 N GLN A 35 -8.236 0.529 -3.771 1.00 0.00 N ATOM 567 CA GLN A 35 -7.518 0.820 -5.007 1.00 0.00 C ATOM 568 C GLN A 35 -8.486 0.931 -6.180 1.00 0.00 C ATOM 569 O GLN A 35 -8.261 1.705 -7.111 1.00 0.00 O ATOM 570 CB GLN A 35 -6.481 -0.268 -5.285 1.00 0.00 C ATOM 571 CG GLN A 35 -5.280 -0.217 -4.354 1.00 0.00 C ATOM 572 CD GLN A 35 -4.561 1.117 -4.404 1.00 0.00 C ATOM 573 OE1 GLN A 35 -4.036 1.551 -3.263 1.00 0.00 O flip ATOM 574 NE2 GLN A 35 -4.479 1.752 -5.457 1.00 0.00 N flip ATOM 0 H GLN A 35 -8.008 -0.373 -3.353 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.007 1.775 -4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.958 -1.244 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.136 -0.175 -6.315 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.608 -0.411 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.583 -1.012 -4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.897 1.381 -6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.993 2.649 -5.475 1.00 0.00 H new ATOM 583 N ILE A 36 -9.563 0.157 -6.127 1.00 0.00 N ATOM 584 CA ILE A 36 -10.568 0.174 -7.182 1.00 0.00 C ATOM 585 C ILE A 36 -11.321 1.501 -7.189 1.00 0.00 C ATOM 586 O ILE A 36 -11.387 2.183 -8.212 1.00 0.00 O ATOM 587 CB ILE A 36 -11.574 -0.982 -7.017 1.00 0.00 C ATOM 588 CG1 ILE A 36 -10.832 -2.312 -6.875 1.00 0.00 C ATOM 589 CG2 ILE A 36 -12.536 -1.031 -8.197 1.00 0.00 C ATOM 590 CD1 ILE A 36 -11.748 -3.497 -6.656 1.00 0.00 C ATOM 0 H ILE A 36 -9.763 -0.490 -5.364 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.044 0.050 -8.130 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.155 -0.808 -6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.237 -2.484 -7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.136 -2.242 -6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.238 -1.854 -8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.086 -0.092 -8.257 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.974 -1.182 -9.119 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.152 -4.405 -6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.325 -3.347 -5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.428 -3.593 -7.503 1.00 0.00 H new ATOM 602 N VAL A 37 -11.880 1.863 -6.040 1.00 0.00 N ATOM 603 CA VAL A 37 -12.618 3.111 -5.913 1.00 0.00 C ATOM 604 C VAL A 37 -11.692 4.311 -6.087 1.00 0.00 C ATOM 605 O VAL A 37 -12.061 5.313 -6.696 1.00 0.00 O ATOM 606 CB VAL A 37 -13.322 3.210 -4.544 1.00 0.00 C ATOM 607 CG1 VAL A 37 -14.197 4.454 -4.474 1.00 0.00 C ATOM 608 CG2 VAL A 37 -14.142 1.958 -4.272 1.00 0.00 C ATOM 0 H VAL A 37 -11.835 1.309 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.372 3.119 -6.700 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.557 3.292 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.683 4.502 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.580 5.341 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.955 4.410 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.631 2.047 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.897 1.842 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.486 1.087 -4.270 1.00 0.00 H new ATOM 618 N ASN A 38 -10.482 4.194 -5.547 1.00 0.00 N ATOM 619 CA ASN A 38 -9.495 5.264 -5.641 1.00 0.00 C ATOM 620 C ASN A 38 -9.019 5.441 -7.080 1.00 0.00 C ATOM 621 O ASN A 38 -8.734 6.556 -7.517 1.00 0.00 O ATOM 622 CB ASN A 38 -8.304 4.971 -4.727 1.00 0.00 C ATOM 623 CG ASN A 38 -8.646 5.143 -3.261 1.00 0.00 C ATOM 624 OD1 ASN A 38 -9.660 5.749 -2.915 1.00 0.00 O ATOM 625 ND2 ASN A 38 -7.798 4.610 -2.388 1.00 0.00 N ATOM 0 H ASN A 38 -10.162 3.369 -5.040 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.969 6.191 -5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.959 3.952 -4.900 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.479 5.635 -4.985 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.976 4.695 -1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.969 4.116 -2.719 1.00 0.00 H new ATOM 632 N SER A 39 -8.937 4.333 -7.810 1.00 0.00 N ATOM 633 CA SER A 39 -8.498 4.370 -9.202 1.00 0.00 C ATOM 634 C SER A 39 -9.512 5.108 -10.070 1.00 0.00 C ATOM 635 O SER A 39 -9.153 5.724 -11.073 1.00 0.00 O ATOM 636 CB SER A 39 -8.293 2.951 -9.732 1.00 0.00 C ATOM 637 OG SER A 39 -8.025 2.958 -11.123 1.00 0.00 O ATOM 0 H SER A 39 -9.168 3.402 -7.463 1.00 0.00 H new ATOM 0 HA SER A 39 -7.550 4.906 -9.245 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.466 2.478 -9.202 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.183 2.354 -9.533 1.00 0.00 H new ATOM 0 HG SER A 39 -7.896 2.038 -11.436 1.00 0.00 H new ATOM 643 N CYS A 40 -10.781 5.043 -9.676 1.00 0.00 N ATOM 644 CA CYS A 40 -11.849 5.708 -10.417 1.00 0.00 C ATOM 645 C CYS A 40 -11.597 7.212 -10.496 1.00 0.00 C ATOM 646 O CYS A 40 -11.165 7.830 -9.524 1.00 0.00 O ATOM 647 CB CYS A 40 -13.197 5.429 -9.749 1.00 0.00 C ATOM 648 SG CYS A 40 -14.618 6.070 -10.662 1.00 0.00 S ATOM 0 H CYS A 40 -11.095 4.537 -8.848 1.00 0.00 H new ATOM 0 HA CYS A 40 -11.867 5.313 -11.433 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -13.313 4.352 -9.626 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -13.193 5.866 -8.750 1.00 0.00 H new ATOM 653 N ALA A 41 -11.855 7.792 -11.666 1.00 0.00 N ATOM 654 CA ALA A 41 -11.643 9.222 -11.877 1.00 0.00 C ATOM 655 C ALA A 41 -12.794 10.054 -11.319 1.00 0.00 C ATOM 656 O ALA A 41 -12.586 10.935 -10.486 1.00 0.00 O ATOM 657 CB ALA A 41 -11.452 9.511 -13.359 1.00 0.00 C ATOM 0 H ALA A 41 -12.211 7.294 -12.482 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.740 9.506 -11.336 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.295 10.580 -13.504 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.585 8.963 -13.728 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.340 9.197 -13.908 1.00 0.00 H new ATOM 663 N GLN A 42 -14.009 9.779 -11.794 1.00 0.00 N ATOM 664 CA GLN A 42 -15.196 10.513 -11.350 1.00 0.00 C ATOM 665 C GLN A 42 -15.323 10.498 -9.828 1.00 0.00 C ATOM 666 O GLN A 42 -15.463 11.544 -9.195 1.00 0.00 O ATOM 667 CB GLN A 42 -16.454 9.914 -11.982 1.00 0.00 C ATOM 668 CG GLN A 42 -16.731 10.424 -13.388 1.00 0.00 C ATOM 669 CD GLN A 42 -17.546 11.703 -13.393 1.00 0.00 C ATOM 670 OE1 GLN A 42 -18.775 11.668 -13.370 1.00 0.00 O ATOM 671 NE2 GLN A 42 -16.859 12.841 -13.424 1.00 0.00 N ATOM 0 H GLN A 42 -14.198 9.054 -12.486 1.00 0.00 H new ATOM 0 HA GLN A 42 -15.087 11.549 -11.672 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -16.354 8.829 -12.011 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -17.311 10.139 -11.348 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -15.785 10.598 -13.901 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -17.262 9.657 -13.951 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.839 12.821 -13.442 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -17.352 13.734 -13.429 1.00 0.00 H new ATOM 680 N CYS A 43 -15.265 9.304 -9.248 1.00 0.00 N ATOM 681 CA CYS A 43 -15.366 9.138 -7.803 1.00 0.00 C ATOM 682 C CYS A 43 -14.296 9.951 -7.076 1.00 0.00 C ATOM 683 O CYS A 43 -14.495 10.378 -5.939 1.00 0.00 O ATOM 684 CB CYS A 43 -15.243 7.660 -7.428 1.00 0.00 C ATOM 685 SG CYS A 43 -16.772 6.713 -7.624 1.00 0.00 S ATOM 0 H CYS A 43 -15.148 8.431 -9.762 1.00 0.00 H new ATOM 0 HA CYS A 43 -16.344 9.506 -7.492 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -14.466 7.205 -8.042 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -14.914 7.586 -6.391 1.00 0.00 H new ATOM 690 N GLN A 44 -13.163 10.163 -7.739 1.00 0.00 N ATOM 691 CA GLN A 44 -12.067 10.925 -7.152 1.00 0.00 C ATOM 692 C GLN A 44 -12.365 12.422 -7.186 1.00 0.00 C ATOM 693 O GLN A 44 -12.596 13.043 -6.150 1.00 0.00 O ATOM 694 CB GLN A 44 -10.761 10.634 -7.895 1.00 0.00 C ATOM 695 CG GLN A 44 -9.971 9.478 -7.306 1.00 0.00 C ATOM 696 CD GLN A 44 -8.582 9.362 -7.899 1.00 0.00 C ATOM 697 OE1 GLN A 44 -7.590 9.272 -7.176 1.00 0.00 O ATOM 698 NE2 GLN A 44 -8.502 9.363 -9.225 1.00 0.00 N ATOM 0 H GLN A 44 -12.981 9.818 -8.681 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.960 10.619 -6.111 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.987 10.414 -8.938 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.140 11.530 -7.886 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.892 9.609 -6.227 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.514 8.548 -7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.350 9.440 -9.787 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.593 9.287 -9.681 1.00 0.00 H new ATOM 707 N GLN A 45 -12.361 12.995 -8.388 1.00 0.00 N ATOM 708 CA GLN A 45 -12.629 14.418 -8.556 1.00 0.00 C ATOM 709 C GLN A 45 -14.124 14.706 -8.437 1.00 0.00 C ATOM 710 O GLN A 45 -14.915 14.286 -9.280 1.00 0.00 O ATOM 711 CB GLN A 45 -12.118 14.901 -9.915 1.00 0.00 C ATOM 712 CG GLN A 45 -10.637 14.648 -10.133 1.00 0.00 C ATOM 713 CD GLN A 45 -10.147 15.185 -11.466 1.00 0.00 C ATOM 714 OE1 GLN A 45 -10.536 14.695 -12.526 1.00 0.00 O ATOM 715 NE2 GLN A 45 -9.289 16.198 -11.417 1.00 0.00 N ATOM 0 H GLN A 45 -12.175 12.495 -9.257 1.00 0.00 H new ATOM 0 HA GLN A 45 -12.104 14.955 -7.766 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.683 14.404 -10.704 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.313 15.969 -10.008 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.069 15.113 -9.327 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.443 13.577 -10.083 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.994 16.573 -10.516 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.926 16.601 -12.281 1.00 0.00 H new ATOM 724 N LYS A 46 -14.501 15.425 -7.385 1.00 0.00 N ATOM 725 CA LYS A 46 -15.899 15.771 -7.159 1.00 0.00 C ATOM 726 C LYS A 46 -16.338 16.901 -8.083 1.00 0.00 C ATOM 727 O LYS A 46 -15.529 17.306 -8.944 1.00 0.00 O ATOM 728 CB LYS A 46 -16.116 16.177 -5.699 1.00 0.00 C ATOM 729 CG LYS A 46 -15.525 15.195 -4.701 1.00 0.00 C ATOM 730 CD LYS A 46 -16.416 15.037 -3.478 1.00 0.00 C ATOM 731 CE LYS A 46 -15.825 14.058 -2.476 1.00 0.00 C ATOM 732 NZ LYS A 46 -16.865 13.170 -1.889 1.00 0.00 N ATOM 733 OXT LYS A 46 -17.488 17.369 -7.941 1.00 0.00 O ATOM 0 H LYS A 46 -13.858 15.779 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 46 -16.504 14.892 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.674 17.160 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -17.186 16.273 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.388 14.226 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.538 15.539 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.555 16.007 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.402 14.690 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.064 13.451 -2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.327 14.610 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.422 12.517 -1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.578 13.747 -1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -17.323 12.624 -2.646 1.00 0.00 H new TER 747 LYS A 46 ATOM 748 N PHE B 1 -2.235 -12.169 0.867 1.00 0.00 N ATOM 749 CA PHE B 1 -2.016 -10.768 0.424 1.00 0.00 C ATOM 750 C PHE B 1 -0.908 -10.097 1.233 1.00 0.00 C ATOM 751 O PHE B 1 0.058 -9.582 0.672 1.00 0.00 O ATOM 752 CB PHE B 1 -3.325 -9.995 0.577 1.00 0.00 C ATOM 753 CG PHE B 1 -3.306 -8.645 -0.081 1.00 0.00 C ATOM 754 CD1 PHE B 1 -2.810 -8.495 -1.366 1.00 0.00 C ATOM 755 CD2 PHE B 1 -3.779 -7.526 0.586 1.00 0.00 C ATOM 756 CE1 PHE B 1 -2.788 -7.256 -1.974 1.00 0.00 C ATOM 757 CE2 PHE B 1 -3.760 -6.284 -0.019 1.00 0.00 C ATOM 758 CZ PHE B 1 -3.264 -6.148 -1.300 1.00 0.00 C ATOM 0 H1 PHE B 1 -2.993 -12.598 0.299 1.00 0.00 H new ATOM 0 H2 PHE B 1 -1.358 -12.714 0.742 1.00 0.00 H new ATOM 0 H3 PHE B 1 -2.507 -12.177 1.871 1.00 0.00 H new ATOM 0 HA PHE B 1 -1.703 -10.771 -0.620 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -4.138 -10.585 0.153 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -3.542 -9.870 1.638 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -2.436 -9.357 -1.898 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -4.166 -7.626 1.589 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -2.399 -7.153 -2.976 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -4.133 -5.420 0.510 1.00 0.00 H new ATOM 0 HZ PHE B 1 -3.248 -5.178 -1.774 1.00 0.00 H new ATOM 770 N LEU B 2 -1.061 -10.104 2.555 1.00 0.00 N ATOM 771 CA LEU B 2 -0.075 -9.493 3.442 1.00 0.00 C ATOM 772 C LEU B 2 1.009 -10.488 3.870 1.00 0.00 C ATOM 773 O LEU B 2 1.720 -10.254 4.848 1.00 0.00 O ATOM 774 CB LEU B 2 -0.765 -8.925 4.680 1.00 0.00 C ATOM 775 CG LEU B 2 -1.360 -7.525 4.508 1.00 0.00 C ATOM 776 CD1 LEU B 2 -0.302 -6.554 4.009 1.00 0.00 C ATOM 777 CD2 LEU B 2 -2.544 -7.565 3.553 1.00 0.00 C ATOM 0 H LEU B 2 -1.857 -10.525 3.035 1.00 0.00 H new ATOM 0 HA LEU B 2 0.409 -8.691 2.885 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -1.561 -9.607 4.978 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -0.045 -8.899 5.498 1.00 0.00 H new ATOM 0 HG LEU B 2 -1.713 -7.177 5.479 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -0.743 -5.564 3.892 1.00 0.00 H new ATOM 0 HD12 LEU B 2 0.515 -6.505 4.729 1.00 0.00 H new ATOM 0 HD13 LEU B 2 0.081 -6.896 3.048 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -2.956 -6.562 3.442 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -2.215 -7.932 2.581 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -3.311 -8.230 3.952 1.00 0.00 H new ATOM 789 N GLU B 3 1.136 -11.597 3.142 1.00 0.00 N ATOM 790 CA GLU B 3 2.137 -12.606 3.462 1.00 0.00 C ATOM 791 C GLU B 3 3.449 -12.325 2.734 1.00 0.00 C ATOM 792 O GLU B 3 4.508 -12.242 3.352 1.00 0.00 O ATOM 793 CB GLU B 3 1.622 -14.000 3.093 1.00 0.00 C ATOM 794 CG GLU B 3 0.483 -14.481 3.977 1.00 0.00 C ATOM 795 CD GLU B 3 0.885 -14.598 5.434 1.00 0.00 C ATOM 796 OE1 GLU B 3 1.707 -15.482 5.755 1.00 0.00 O ATOM 797 OE2 GLU B 3 0.381 -13.803 6.255 1.00 0.00 O ATOM 0 H GLU B 3 0.559 -11.816 2.330 1.00 0.00 H new ATOM 0 HA GLU B 3 2.325 -12.567 4.535 1.00 0.00 H new ATOM 0 HB2 GLU B 3 1.287 -13.992 2.056 1.00 0.00 H new ATOM 0 HB3 GLU B 3 2.446 -14.711 3.157 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -0.356 -13.791 3.890 1.00 0.00 H new ATOM 0 HG3 GLU B 3 0.136 -15.451 3.621 1.00 0.00 H new ATOM 804 N LYS B 4 3.368 -12.182 1.415 1.00 0.00 N ATOM 805 CA LYS B 4 4.547 -11.907 0.599 1.00 0.00 C ATOM 806 C LYS B 4 4.779 -10.404 0.453 1.00 0.00 C ATOM 807 O LYS B 4 5.912 -9.957 0.274 1.00 0.00 O ATOM 808 CB LYS B 4 4.397 -12.549 -0.782 1.00 0.00 C ATOM 809 CG LYS B 4 4.343 -14.069 -0.745 1.00 0.00 C ATOM 810 CD LYS B 4 5.636 -14.692 -1.250 1.00 0.00 C ATOM 811 CE LYS B 4 5.740 -16.158 -0.859 1.00 0.00 C ATOM 812 NZ LYS B 4 6.673 -16.906 -1.746 1.00 0.00 N ATOM 0 H LYS B 4 2.498 -12.252 0.887 1.00 0.00 H new ATOM 0 HA LYS B 4 5.412 -12.338 1.103 1.00 0.00 H new ATOM 0 HB2 LYS B 4 3.488 -12.173 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS B 4 5.232 -12.239 -1.410 1.00 0.00 H new ATOM 0 HG2 LYS B 4 4.154 -14.401 0.276 1.00 0.00 H new ATOM 0 HG3 LYS B 4 3.509 -14.418 -1.354 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.686 -14.600 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS B 4 6.487 -14.145 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS B 4 6.081 -16.235 0.173 1.00 0.00 H new ATOM 0 HE3 LYS B 4 4.752 -16.616 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 6.715 -17.901 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 6.334 -16.855 -2.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 7.622 -16.485 -1.685 1.00 0.00 H new ATOM 826 N ILE B 5 3.701 -9.628 0.532 1.00 0.00 N ATOM 827 CA ILE B 5 3.796 -8.179 0.408 1.00 0.00 C ATOM 828 C ILE B 5 4.413 -7.557 1.660 1.00 0.00 C ATOM 829 O ILE B 5 5.177 -6.596 1.569 1.00 0.00 O ATOM 830 CB ILE B 5 2.409 -7.547 0.154 1.00 0.00 C ATOM 831 CG1 ILE B 5 1.742 -8.209 -1.052 1.00 0.00 C ATOM 832 CG2 ILE B 5 2.531 -6.045 -0.064 1.00 0.00 C ATOM 833 CD1 ILE B 5 0.356 -7.674 -1.345 1.00 0.00 C ATOM 0 H ILE B 5 2.755 -9.979 0.681 1.00 0.00 H new ATOM 0 HA ILE B 5 4.441 -7.973 -0.446 1.00 0.00 H new ATOM 0 HB ILE B 5 1.788 -7.713 1.034 1.00 0.00 H new ATOM 0 HG12 ILE B 5 2.372 -8.065 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE B 5 1.679 -9.283 -0.878 1.00 0.00 H new ATOM 0 HG21 ILE B 5 1.542 -5.622 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE B 5 2.971 -5.584 0.820 1.00 0.00 H new ATOM 0 HG23 ILE B 5 3.168 -5.853 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE B 5 -0.057 -8.189 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE B 5 -0.289 -7.843 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE B 5 0.415 -6.605 -1.551 1.00 0.00 H new ATOM 845 N GLU B 6 4.079 -8.106 2.824 1.00 0.00 N ATOM 846 CA GLU B 6 4.604 -7.595 4.089 1.00 0.00 C ATOM 847 C GLU B 6 6.135 -7.581 4.084 1.00 0.00 C ATOM 848 O GLU B 6 6.748 -6.525 4.241 1.00 0.00 O ATOM 849 CB GLU B 6 4.083 -8.434 5.261 1.00 0.00 C ATOM 850 CG GLU B 6 2.885 -7.817 5.967 1.00 0.00 C ATOM 851 CD GLU B 6 2.665 -8.383 7.358 1.00 0.00 C ATOM 852 OE1 GLU B 6 3.559 -9.101 7.859 1.00 0.00 O ATOM 853 OE2 GLU B 6 1.599 -8.109 7.949 1.00 0.00 O ATOM 0 H GLU B 6 3.449 -8.903 2.919 1.00 0.00 H new ATOM 0 HA GLU B 6 4.256 -6.569 4.209 1.00 0.00 H new ATOM 0 HB2 GLU B 6 3.808 -9.423 4.895 1.00 0.00 H new ATOM 0 HB3 GLU B 6 4.888 -8.573 5.983 1.00 0.00 H new ATOM 0 HG2 GLU B 6 3.026 -6.738 6.037 1.00 0.00 H new ATOM 0 HG3 GLU B 6 1.990 -7.983 5.367 1.00 0.00 H new ATOM 860 N PRO B 7 6.786 -8.753 3.899 1.00 0.00 N ATOM 861 CA PRO B 7 8.252 -8.849 3.870 1.00 0.00 C ATOM 862 C PRO B 7 8.899 -7.750 3.030 1.00 0.00 C ATOM 863 O PRO B 7 9.961 -7.232 3.378 1.00 0.00 O ATOM 864 CB PRO B 7 8.497 -10.215 3.229 1.00 0.00 C ATOM 865 CG PRO B 7 7.311 -11.027 3.611 1.00 0.00 C ATOM 866 CD PRO B 7 6.149 -10.073 3.700 1.00 0.00 C ATOM 0 HA PRO B 7 8.685 -8.735 4.864 1.00 0.00 H new ATOM 0 HB2 PRO B 7 8.590 -10.134 2.146 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.420 -10.665 3.595 1.00 0.00 H new ATOM 0 HG2 PRO B 7 7.119 -11.804 2.871 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.475 -11.528 4.565 1.00 0.00 H new ATOM 0 HD2 PRO B 7 5.546 -10.093 2.792 1.00 0.00 H new ATOM 0 HD3 PRO B 7 5.487 -10.326 4.528 1.00 0.00 H new ATOM 874 N ALA B 8 8.248 -7.398 1.925 1.00 0.00 N ATOM 875 CA ALA B 8 8.757 -6.361 1.038 1.00 0.00 C ATOM 876 C ALA B 8 8.665 -4.989 1.694 1.00 0.00 C ATOM 877 O ALA B 8 9.510 -4.123 1.468 1.00 0.00 O ATOM 878 CB ALA B 8 7.994 -6.373 -0.278 1.00 0.00 C ATOM 0 H ALA B 8 7.368 -7.816 1.624 1.00 0.00 H new ATOM 0 HA ALA B 8 9.808 -6.569 0.837 1.00 0.00 H new ATOM 0 HB1 ALA B 8 8.384 -5.593 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA B 8 8.114 -7.344 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.936 -6.191 -0.087 1.00 0.00 H new ATOM 884 N GLN B 9 7.633 -4.798 2.509 1.00 0.00 N ATOM 885 CA GLN B 9 7.431 -3.532 3.201 1.00 0.00 C ATOM 886 C GLN B 9 8.551 -3.281 4.208 1.00 0.00 C ATOM 887 O GLN B 9 8.999 -2.147 4.382 1.00 0.00 O ATOM 888 CB GLN B 9 6.071 -3.524 3.904 1.00 0.00 C ATOM 889 CG GLN B 9 5.010 -2.735 3.156 1.00 0.00 C ATOM 890 CD GLN B 9 3.618 -3.308 3.340 1.00 0.00 C ATOM 891 OE1 GLN B 9 3.425 -4.545 2.898 1.00 0.00 O flip ATOM 892 NE2 GLN B 9 2.728 -2.646 3.873 1.00 0.00 N flip ATOM 0 H GLN B 9 6.924 -5.504 2.706 1.00 0.00 H new ATOM 0 HA GLN B 9 7.450 -2.730 2.463 1.00 0.00 H new ATOM 0 HB2 GLN B 9 5.729 -4.551 4.029 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.189 -3.104 4.903 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.021 -1.701 3.500 1.00 0.00 H new ATOM 0 HG3 GLN B 9 5.255 -2.720 2.094 1.00 0.00 H new ATOM 0 HE21 GLN B 9 2.922 -1.699 4.198 1.00 0.00 H new ATOM 0 HE22 GLN B 9 1.796 -3.045 3.990 1.00 0.00 H new ATOM 901 N GLU B 10 8.996 -4.346 4.868 1.00 0.00 N ATOM 902 CA GLU B 10 10.065 -4.238 5.854 1.00 0.00 C ATOM 903 C GLU B 10 11.391 -3.899 5.182 1.00 0.00 C ATOM 904 O GLU B 10 12.235 -3.216 5.761 1.00 0.00 O ATOM 905 CB GLU B 10 10.196 -5.545 6.639 1.00 0.00 C ATOM 906 CG GLU B 10 9.073 -5.773 7.637 1.00 0.00 C ATOM 907 CD GLU B 10 9.282 -5.026 8.941 1.00 0.00 C ATOM 908 OE1 GLU B 10 10.393 -4.495 9.152 1.00 0.00 O ATOM 909 OE2 GLU B 10 8.334 -4.971 9.752 1.00 0.00 O ATOM 0 H GLU B 10 8.634 -5.291 4.738 1.00 0.00 H new ATOM 0 HA GLU B 10 9.811 -3.432 6.543 1.00 0.00 H new ATOM 0 HB2 GLU B 10 10.222 -6.379 5.938 1.00 0.00 H new ATOM 0 HB3 GLU B 10 11.148 -5.546 7.170 1.00 0.00 H new ATOM 0 HG2 GLU B 10 8.129 -5.460 7.192 1.00 0.00 H new ATOM 0 HG3 GLU B 10 8.989 -6.840 7.845 1.00 0.00 H new ATOM 916 N GLU B 11 11.565 -4.381 3.956 1.00 0.00 N ATOM 917 CA GLU B 11 12.787 -4.129 3.201 1.00 0.00 C ATOM 918 C GLU B 11 12.900 -2.656 2.825 1.00 0.00 C ATOM 919 O GLU B 11 13.987 -2.081 2.874 1.00 0.00 O ATOM 920 CB GLU B 11 12.822 -4.996 1.942 1.00 0.00 C ATOM 921 CG GLU B 11 14.090 -4.825 1.119 1.00 0.00 C ATOM 922 CD GLU B 11 15.316 -5.393 1.808 1.00 0.00 C ATOM 923 OE1 GLU B 11 15.208 -6.483 2.409 1.00 0.00 O ATOM 924 OE2 GLU B 11 16.382 -4.746 1.749 1.00 0.00 O ATOM 0 H GLU B 11 10.875 -4.949 3.464 1.00 0.00 H new ATOM 0 HA GLU B 11 13.636 -4.388 3.834 1.00 0.00 H new ATOM 0 HB2 GLU B 11 12.724 -6.043 2.229 1.00 0.00 H new ATOM 0 HB3 GLU B 11 11.960 -4.754 1.320 1.00 0.00 H new ATOM 0 HG2 GLU B 11 13.961 -5.315 0.154 1.00 0.00 H new ATOM 0 HG3 GLU B 11 14.249 -3.765 0.920 1.00 0.00 H new ATOM 931 N HIS B 12 11.779 -2.047 2.455 1.00 0.00 N ATOM 932 CA HIS B 12 11.785 -0.641 2.084 1.00 0.00 C ATOM 933 C HIS B 12 12.092 0.232 3.301 1.00 0.00 C ATOM 934 O HIS B 12 12.796 1.232 3.198 1.00 0.00 O ATOM 935 CB HIS B 12 10.446 -0.211 1.463 1.00 0.00 C ATOM 936 CG HIS B 12 10.463 1.221 1.038 1.00 0.00 C ATOM 937 ND1 HIS B 12 10.452 1.646 -0.274 1.00 0.00 N ATOM 938 CD2 HIS B 12 10.622 2.329 1.793 1.00 0.00 C ATOM 939 CE1 HIS B 12 10.619 2.977 -0.271 1.00 0.00 C ATOM 940 NE2 HIS B 12 10.731 3.435 0.961 1.00 0.00 N ATOM 0 H HIS B 12 10.866 -2.500 2.405 1.00 0.00 H new ATOM 0 HA HIS B 12 12.565 -0.507 1.335 1.00 0.00 H new ATOM 0 HB2 HIS B 12 10.226 -0.842 0.602 1.00 0.00 H new ATOM 0 HB3 HIS B 12 9.645 -0.366 2.185 1.00 0.00 H new ATOM 0 HD1 HIS B 12 10.338 1.055 -1.098 1.00 0.00 H new ATOM 0 HD2 HIS B 12 10.659 2.351 2.872 1.00 0.00 H new ATOM 0 HE1 HIS B 12 10.657 3.591 -1.158 1.00 0.00 H new ATOM 948 N GLU B 13 11.548 -0.143 4.445 1.00 0.00 N ATOM 949 CA GLU B 13 11.755 0.617 5.671 1.00 0.00 C ATOM 950 C GLU B 13 13.215 0.581 6.137 1.00 0.00 C ATOM 951 O GLU B 13 13.593 1.328 7.042 1.00 0.00 O ATOM 952 CB GLU B 13 10.848 0.077 6.777 1.00 0.00 C ATOM 953 CG GLU B 13 9.371 0.321 6.521 1.00 0.00 C ATOM 954 CD GLU B 13 8.490 -0.199 7.642 1.00 0.00 C ATOM 955 OE1 GLU B 13 8.529 -1.418 7.908 1.00 0.00 O ATOM 956 OE2 GLU B 13 7.764 0.614 8.251 1.00 0.00 O ATOM 0 H GLU B 13 10.959 -0.969 4.554 1.00 0.00 H new ATOM 0 HA GLU B 13 11.504 1.656 5.456 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.018 -0.994 6.885 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.126 0.541 7.723 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.200 1.390 6.396 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.084 -0.160 5.586 1.00 0.00 H new ATOM 963 N LYS B 14 14.032 -0.291 5.543 1.00 0.00 N ATOM 964 CA LYS B 14 15.431 -0.401 5.943 1.00 0.00 C ATOM 965 C LYS B 14 16.389 0.230 4.928 1.00 0.00 C ATOM 966 O LYS B 14 17.512 0.591 5.282 1.00 0.00 O ATOM 967 CB LYS B 14 15.797 -1.872 6.153 1.00 0.00 C ATOM 968 CG LYS B 14 16.927 -2.082 7.146 1.00 0.00 C ATOM 969 CD LYS B 14 17.286 -3.555 7.278 1.00 0.00 C ATOM 970 CE LYS B 14 16.245 -4.313 8.086 1.00 0.00 C ATOM 971 NZ LYS B 14 16.441 -4.134 9.552 1.00 0.00 N ATOM 0 H LYS B 14 13.751 -0.923 4.793 1.00 0.00 H new ATOM 0 HA LYS B 14 15.541 0.152 6.876 1.00 0.00 H new ATOM 0 HB2 LYS B 14 14.915 -2.411 6.499 1.00 0.00 H new ATOM 0 HB3 LYS B 14 16.081 -2.307 5.195 1.00 0.00 H new ATOM 0 HG2 LYS B 14 17.804 -1.520 6.825 1.00 0.00 H new ATOM 0 HG3 LYS B 14 16.635 -1.689 8.120 1.00 0.00 H new ATOM 0 HD2 LYS B 14 17.373 -3.999 6.287 1.00 0.00 H new ATOM 0 HD3 LYS B 14 18.260 -3.651 7.757 1.00 0.00 H new ATOM 0 HE2 LYS B 14 15.249 -3.969 7.808 1.00 0.00 H new ATOM 0 HE3 LYS B 14 16.296 -5.374 7.840 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 15.711 -4.666 10.067 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 17.382 -4.486 9.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 16.367 -3.125 9.791 1.00 0.00 H new ATOM 985 N TYR B 15 15.964 0.351 3.672 1.00 0.00 N ATOM 986 CA TYR B 15 16.830 0.929 2.642 1.00 0.00 C ATOM 987 C TYR B 15 16.049 1.741 1.603 1.00 0.00 C ATOM 988 O TYR B 15 16.563 2.014 0.518 1.00 0.00 O ATOM 989 CB TYR B 15 17.597 -0.187 1.931 1.00 0.00 C ATOM 990 CG TYR B 15 18.266 -1.169 2.869 1.00 0.00 C ATOM 991 CD1 TYR B 15 19.534 -0.917 3.374 1.00 0.00 C ATOM 992 CD2 TYR B 15 17.633 -2.351 3.240 1.00 0.00 C ATOM 993 CE1 TYR B 15 20.155 -1.812 4.226 1.00 0.00 C ATOM 994 CE2 TYR B 15 18.248 -3.250 4.090 1.00 0.00 C ATOM 995 CZ TYR B 15 19.509 -2.976 4.579 1.00 0.00 C ATOM 996 OH TYR B 15 20.123 -3.871 5.424 1.00 0.00 O ATOM 0 H TYR B 15 15.042 0.063 3.345 1.00 0.00 H new ATOM 0 HA TYR B 15 17.516 1.610 3.145 1.00 0.00 H new ATOM 0 HB2 TYR B 15 16.910 -0.730 1.283 1.00 0.00 H new ATOM 0 HB3 TYR B 15 18.355 0.260 1.288 1.00 0.00 H new ATOM 0 HD1 TYR B 15 20.044 -0.006 3.097 1.00 0.00 H new ATOM 0 HD2 TYR B 15 16.647 -2.569 2.858 1.00 0.00 H new ATOM 0 HE1 TYR B 15 21.141 -1.599 4.612 1.00 0.00 H new ATOM 0 HE2 TYR B 15 17.744 -4.163 4.370 1.00 0.00 H new ATOM 0 HH TYR B 15 19.532 -4.638 5.573 1.00 0.00 H new ATOM 1006 N HIS B 16 14.809 2.112 1.928 1.00 0.00 N ATOM 1007 CA HIS B 16 13.944 2.880 1.018 1.00 0.00 C ATOM 1008 C HIS B 16 14.035 2.369 -0.423 1.00 0.00 C ATOM 1009 O HIS B 16 14.101 3.151 -1.371 1.00 0.00 O ATOM 1010 CB HIS B 16 14.267 4.375 1.076 1.00 0.00 C ATOM 1011 CG HIS B 16 13.920 5.014 2.390 1.00 0.00 C ATOM 1012 ND1 HIS B 16 12.641 5.443 2.688 1.00 0.00 N ATOM 1013 CD2 HIS B 16 14.725 5.276 3.451 1.00 0.00 C ATOM 1014 CE1 HIS B 16 12.699 5.948 3.905 1.00 0.00 C ATOM 1015 NE2 HIS B 16 13.940 5.869 4.409 1.00 0.00 N ATOM 0 H HIS B 16 14.374 1.892 2.824 1.00 0.00 H new ATOM 0 HA HIS B 16 12.919 2.735 1.358 1.00 0.00 H new ATOM 0 HB2 HIS B 16 15.330 4.516 0.882 1.00 0.00 H new ATOM 0 HB3 HIS B 16 13.727 4.886 0.279 1.00 0.00 H new ATOM 0 HD2 HIS B 16 15.780 5.060 3.527 1.00 0.00 H new ATOM 0 HE1 HIS B 16 11.855 6.371 4.429 1.00 0.00 H new ATOM 0 HE2 HIS B 16 14.243 6.189 5.329 1.00 0.00 H new ATOM 1023 N SER B 17 14.045 1.047 -0.565 1.00 0.00 N ATOM 1024 CA SER B 17 14.134 0.406 -1.874 1.00 0.00 C ATOM 1025 C SER B 17 13.018 0.874 -2.804 1.00 0.00 C ATOM 1026 O SER B 17 11.924 1.211 -2.355 1.00 0.00 O ATOM 1027 CB SER B 17 14.076 -1.113 -1.716 1.00 0.00 C ATOM 1028 OG SER B 17 15.271 -1.614 -1.142 1.00 0.00 O ATOM 0 H SER B 17 13.992 0.394 0.217 1.00 0.00 H new ATOM 0 HA SER B 17 15.086 0.691 -2.322 1.00 0.00 H new ATOM 0 HB2 SER B 17 13.227 -1.384 -1.089 1.00 0.00 H new ATOM 0 HB3 SER B 17 13.914 -1.577 -2.689 1.00 0.00 H new ATOM 0 HG SER B 17 15.207 -2.588 -1.050 1.00 0.00 H new ATOM 1034 N ASN B 18 13.307 0.887 -4.101 1.00 0.00 N ATOM 1035 CA ASN B 18 12.327 1.307 -5.097 1.00 0.00 C ATOM 1036 C ASN B 18 11.464 0.131 -5.534 1.00 0.00 C ATOM 1037 O ASN B 18 11.726 -1.014 -5.163 1.00 0.00 O ATOM 1038 CB ASN B 18 13.032 1.918 -6.310 1.00 0.00 C ATOM 1039 CG ASN B 18 13.583 3.302 -6.022 1.00 0.00 C ATOM 1040 OD1 ASN B 18 13.024 4.051 -5.220 1.00 0.00 O ATOM 1041 ND2 ASN B 18 14.683 3.649 -6.678 1.00 0.00 N ATOM 0 H ASN B 18 14.210 0.612 -4.487 1.00 0.00 H new ATOM 0 HA ASN B 18 11.682 2.060 -4.644 1.00 0.00 H new ATOM 0 HB2 ASN B 18 13.846 1.263 -6.622 1.00 0.00 H new ATOM 0 HB3 ASN B 18 12.332 1.975 -7.143 1.00 0.00 H new ATOM 0 HD21 ASN B 18 15.099 4.568 -6.527 1.00 0.00 H new ATOM 0 HD22 ASN B 18 15.113 2.997 -7.334 1.00 0.00 H new ATOM 1048 N VAL B 19 10.435 0.414 -6.328 1.00 0.00 N ATOM 1049 CA VAL B 19 9.527 -0.622 -6.818 1.00 0.00 C ATOM 1050 C VAL B 19 10.289 -1.759 -7.492 1.00 0.00 C ATOM 1051 O VAL B 19 10.115 -2.927 -7.144 1.00 0.00 O ATOM 1052 CB VAL B 19 8.507 -0.039 -7.817 1.00 0.00 C ATOM 1053 CG1 VAL B 19 7.479 -1.087 -8.220 1.00 0.00 C ATOM 1054 CG2 VAL B 19 7.828 1.185 -7.225 1.00 0.00 C ATOM 0 H VAL B 19 10.208 1.356 -6.647 1.00 0.00 H new ATOM 0 HA VAL B 19 8.999 -1.015 -5.949 1.00 0.00 H new ATOM 0 HB VAL B 19 9.043 0.265 -8.716 1.00 0.00 H new ATOM 0 HG11 VAL B 19 6.771 -0.650 -8.925 1.00 0.00 H new ATOM 0 HG12 VAL B 19 7.985 -1.931 -8.689 1.00 0.00 H new ATOM 0 HG13 VAL B 19 6.944 -1.431 -7.335 1.00 0.00 H new ATOM 0 HG21 VAL B 19 7.111 1.586 -7.942 1.00 0.00 H new ATOM 0 HG22 VAL B 19 7.308 0.905 -6.309 1.00 0.00 H new ATOM 0 HG23 VAL B 19 8.578 1.943 -6.999 1.00 0.00 H new ATOM 1064 N LYS B 20 11.131 -1.409 -8.457 1.00 0.00 N ATOM 1065 CA LYS B 20 11.919 -2.402 -9.181 1.00 0.00 C ATOM 1066 C LYS B 20 12.784 -3.219 -8.224 1.00 0.00 C ATOM 1067 O LYS B 20 13.080 -4.385 -8.484 1.00 0.00 O ATOM 1068 CB LYS B 20 12.799 -1.720 -10.230 1.00 0.00 C ATOM 1069 CG LYS B 20 12.930 -2.512 -11.521 1.00 0.00 C ATOM 1070 CD LYS B 20 13.811 -3.738 -11.336 1.00 0.00 C ATOM 1071 CE LYS B 20 14.528 -4.106 -12.626 1.00 0.00 C ATOM 1072 NZ LYS B 20 15.309 -5.366 -12.483 1.00 0.00 N ATOM 0 H LYS B 20 11.286 -0.447 -8.757 1.00 0.00 H new ATOM 0 HA LYS B 20 11.228 -3.080 -9.682 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.385 -0.737 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS B 20 13.792 -1.558 -9.810 1.00 0.00 H new ATOM 0 HG2 LYS B 20 11.942 -2.821 -11.861 1.00 0.00 H new ATOM 0 HG3 LYS B 20 13.350 -1.875 -12.299 1.00 0.00 H new ATOM 0 HD2 LYS B 20 14.544 -3.546 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS B 20 13.202 -4.579 -11.004 1.00 0.00 H new ATOM 0 HE2 LYS B 20 13.799 -4.219 -13.428 1.00 0.00 H new ATOM 0 HE3 LYS B 20 15.196 -3.295 -12.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 16.245 -5.246 -12.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 15.425 -5.590 -11.474 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 14.803 -6.143 -12.954 1.00 0.00 H new ATOM 1086 N GLU B 21 13.181 -2.602 -7.116 1.00 0.00 N ATOM 1087 CA GLU B 21 14.004 -3.276 -6.123 1.00 0.00 C ATOM 1088 C GLU B 21 13.172 -4.270 -5.318 1.00 0.00 C ATOM 1089 O GLU B 21 13.590 -5.405 -5.095 1.00 0.00 O ATOM 1090 CB GLU B 21 14.654 -2.255 -5.190 1.00 0.00 C ATOM 1091 CG GLU B 21 15.601 -2.873 -4.174 1.00 0.00 C ATOM 1092 CD GLU B 21 16.973 -3.157 -4.754 1.00 0.00 C ATOM 1093 OE1 GLU B 21 17.312 -2.557 -5.795 1.00 0.00 O ATOM 1094 OE2 GLU B 21 17.707 -3.976 -4.166 1.00 0.00 O ATOM 0 H GLU B 21 12.945 -1.637 -6.885 1.00 0.00 H new ATOM 0 HA GLU B 21 14.788 -3.825 -6.644 1.00 0.00 H new ATOM 0 HB2 GLU B 21 15.202 -1.526 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU B 21 13.872 -1.710 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU B 21 15.703 -2.201 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.170 -3.801 -3.798 1.00 0.00 H new ATOM 1101 N LEU B 22 11.988 -3.838 -4.890 1.00 0.00 N ATOM 1102 CA LEU B 22 11.097 -4.697 -4.117 1.00 0.00 C ATOM 1103 C LEU B 22 10.547 -5.825 -4.983 1.00 0.00 C ATOM 1104 O LEU B 22 10.454 -6.970 -4.542 1.00 0.00 O ATOM 1105 CB LEU B 22 9.934 -3.885 -3.532 1.00 0.00 C ATOM 1106 CG LEU B 22 10.252 -3.067 -2.273 1.00 0.00 C ATOM 1107 CD1 LEU B 22 11.012 -3.898 -1.251 1.00 0.00 C ATOM 1108 CD2 LEU B 22 11.036 -1.816 -2.637 1.00 0.00 C ATOM 0 H LEU B 22 11.625 -2.901 -5.065 1.00 0.00 H new ATOM 0 HA LEU B 22 11.676 -5.128 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.569 -3.204 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.119 -4.570 -3.300 1.00 0.00 H new ATOM 0 HG LEU B 22 9.307 -2.767 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.222 -3.290 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.409 -4.759 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.950 -4.242 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.253 -1.247 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU B 22 11.971 -2.100 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.447 -1.203 -3.319 1.00 0.00 H new ATOM 1120 N SER B 23 10.177 -5.493 -6.217 1.00 0.00 N ATOM 1121 CA SER B 23 9.629 -6.477 -7.142 1.00 0.00 C ATOM 1122 C SER B 23 10.707 -7.448 -7.624 1.00 0.00 C ATOM 1123 O SER B 23 10.440 -8.631 -7.825 1.00 0.00 O ATOM 1124 CB SER B 23 8.984 -5.778 -8.341 1.00 0.00 C ATOM 1125 OG SER B 23 8.648 -6.706 -9.356 1.00 0.00 O ATOM 0 H SER B 23 10.247 -4.550 -6.598 1.00 0.00 H new ATOM 0 HA SER B 23 8.870 -7.049 -6.608 1.00 0.00 H new ATOM 0 HB2 SER B 23 8.088 -5.249 -8.018 1.00 0.00 H new ATOM 0 HB3 SER B 23 9.669 -5.030 -8.741 1.00 0.00 H new ATOM 0 HG SER B 23 7.698 -6.937 -9.287 1.00 0.00 H new ATOM 1131 N HIS B 24 11.919 -6.937 -7.813 1.00 0.00 N ATOM 1132 CA HIS B 24 13.029 -7.762 -8.281 1.00 0.00 C ATOM 1133 C HIS B 24 13.641 -8.569 -7.140 1.00 0.00 C ATOM 1134 O HIS B 24 14.128 -9.681 -7.346 1.00 0.00 O ATOM 1135 CB HIS B 24 14.101 -6.890 -8.935 1.00 0.00 C ATOM 1136 CG HIS B 24 15.148 -7.674 -9.664 1.00 0.00 C ATOM 1137 ND1 HIS B 24 16.355 -7.117 -10.004 1.00 0.00 N ATOM 1138 CD2 HIS B 24 15.118 -8.960 -10.090 1.00 0.00 C ATOM 1139 CE1 HIS B 24 17.029 -8.067 -10.628 1.00 0.00 C ATOM 1140 NE2 HIS B 24 16.319 -9.202 -10.704 1.00 0.00 N ATOM 0 H HIS B 24 12.158 -5.959 -7.650 1.00 0.00 H new ATOM 0 HA HIS B 24 12.635 -8.461 -9.019 1.00 0.00 H new ATOM 0 HB2 HIS B 24 13.623 -6.202 -9.632 1.00 0.00 H new ATOM 0 HB3 HIS B 24 14.582 -6.283 -8.168 1.00 0.00 H new ATOM 0 HD2 HIS B 24 14.304 -9.660 -9.969 1.00 0.00 H new ATOM 0 HE1 HIS B 24 18.025 -7.945 -11.026 1.00 0.00 H new ATOM 0 HE2 HIS B 24 16.616 -10.077 -11.136 1.00 0.00 H new ATOM 1148 N LYS B 25 13.623 -8.002 -5.937 1.00 0.00 N ATOM 1149 CA LYS B 25 14.187 -8.671 -4.770 1.00 0.00 C ATOM 1150 C LYS B 25 13.243 -9.742 -4.234 1.00 0.00 C ATOM 1151 O LYS B 25 13.685 -10.778 -3.738 1.00 0.00 O ATOM 1152 CB LYS B 25 14.493 -7.651 -3.671 1.00 0.00 C ATOM 1153 CG LYS B 25 15.340 -8.212 -2.540 1.00 0.00 C ATOM 1154 CD LYS B 25 14.481 -8.651 -1.365 1.00 0.00 C ATOM 1155 CE LYS B 25 15.082 -9.855 -0.658 1.00 0.00 C ATOM 1156 NZ LYS B 25 14.804 -11.123 -1.387 1.00 0.00 N ATOM 0 H LYS B 25 13.225 -7.083 -5.745 1.00 0.00 H new ATOM 0 HA LYS B 25 15.112 -9.157 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS B 25 15.009 -6.798 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS B 25 13.554 -7.279 -3.261 1.00 0.00 H new ATOM 0 HG2 LYS B 25 15.920 -9.060 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS B 25 16.053 -7.457 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS B 25 14.378 -7.827 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS B 25 13.479 -8.896 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS B 25 16.159 -9.720 -0.563 1.00 0.00 H new ATOM 0 HE3 LYS B 25 14.679 -9.921 0.352 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 15.602 -11.778 -1.262 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 13.938 -11.557 -1.010 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 14.677 -10.921 -2.399 1.00 0.00 H new ATOM 1170 N PHE B 26 11.942 -9.486 -4.328 1.00 0.00 N ATOM 1171 CA PHE B 26 10.941 -10.434 -3.841 1.00 0.00 C ATOM 1172 C PHE B 26 10.166 -11.058 -4.997 1.00 0.00 C ATOM 1173 O PHE B 26 10.288 -12.253 -5.265 1.00 0.00 O ATOM 1174 CB PHE B 26 9.979 -9.735 -2.880 1.00 0.00 C ATOM 1175 CG PHE B 26 10.632 -9.290 -1.601 1.00 0.00 C ATOM 1176 CD1 PHE B 26 10.718 -10.148 -0.517 1.00 0.00 C ATOM 1177 CD2 PHE B 26 11.160 -8.013 -1.488 1.00 0.00 C ATOM 1178 CE1 PHE B 26 11.321 -9.741 0.658 1.00 0.00 C ATOM 1179 CE2 PHE B 26 11.763 -7.602 -0.315 1.00 0.00 C ATOM 1180 CZ PHE B 26 11.844 -8.467 0.760 1.00 0.00 C ATOM 0 H PHE B 26 11.555 -8.634 -4.735 1.00 0.00 H new ATOM 0 HA PHE B 26 11.460 -11.232 -3.311 1.00 0.00 H new ATOM 0 HB2 PHE B 26 9.545 -8.868 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE B 26 9.158 -10.411 -2.644 1.00 0.00 H new ATOM 0 HD1 PHE B 26 10.310 -11.145 -0.591 1.00 0.00 H new ATOM 0 HD2 PHE B 26 11.099 -7.333 -2.325 1.00 0.00 H new ATOM 0 HE1 PHE B 26 11.383 -10.419 1.496 1.00 0.00 H new ATOM 0 HE2 PHE B 26 12.171 -6.605 -0.238 1.00 0.00 H new ATOM 0 HZ PHE B 26 12.315 -8.147 1.678 1.00 0.00 H new ATOM 1190 N GLY B 27 9.366 -10.243 -5.675 1.00 0.00 N ATOM 1191 CA GLY B 27 8.579 -10.734 -6.792 1.00 0.00 C ATOM 1192 C GLY B 27 7.119 -10.343 -6.682 1.00 0.00 C ATOM 1193 O GLY B 27 6.284 -11.142 -6.257 1.00 0.00 O ATOM 0 H GLY B 27 9.248 -9.251 -5.471 1.00 0.00 H new ATOM 0 HA2 GLY B 27 8.989 -10.342 -7.723 1.00 0.00 H new ATOM 0 HA3 GLY B 27 8.659 -11.820 -6.841 1.00 0.00 H new ATOM 1197 N ILE B 28 6.813 -9.106 -7.059 1.00 0.00 N ATOM 1198 CA ILE B 28 5.445 -8.606 -6.997 1.00 0.00 C ATOM 1199 C ILE B 28 5.180 -7.594 -8.110 1.00 0.00 C ATOM 1200 O ILE B 28 6.074 -6.843 -8.497 1.00 0.00 O ATOM 1201 CB ILE B 28 5.157 -7.940 -5.638 1.00 0.00 C ATOM 1202 CG1 ILE B 28 6.221 -6.887 -5.328 1.00 0.00 C ATOM 1203 CG2 ILE B 28 5.103 -8.988 -4.535 1.00 0.00 C ATOM 1204 CD1 ILE B 28 5.995 -6.167 -4.017 1.00 0.00 C ATOM 0 H ILE B 28 7.493 -8.432 -7.410 1.00 0.00 H new ATOM 0 HA ILE B 28 4.785 -9.464 -7.124 1.00 0.00 H new ATOM 0 HB ILE B 28 4.187 -7.446 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE B 28 7.200 -7.367 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE B 28 6.243 -6.156 -6.136 1.00 0.00 H new ATOM 0 HG21 ILE B 28 4.899 -8.502 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE B 28 4.312 -9.706 -4.753 1.00 0.00 H new ATOM 0 HG23 ILE B 28 6.059 -9.508 -4.480 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.788 -5.435 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE B 28 5.031 -5.658 -4.043 1.00 0.00 H new ATOM 0 HD13 ILE B 28 6.003 -6.888 -3.200 1.00 0.00 H new ATOM 1216 N PRO B 29 3.941 -7.552 -8.645 1.00 0.00 N ATOM 1217 CA PRO B 29 3.583 -6.615 -9.717 1.00 0.00 C ATOM 1218 C PRO B 29 3.952 -5.176 -9.372 1.00 0.00 C ATOM 1219 O PRO B 29 3.987 -4.797 -8.201 1.00 0.00 O ATOM 1220 CB PRO B 29 2.065 -6.764 -9.831 1.00 0.00 C ATOM 1221 CG PRO B 29 1.780 -8.138 -9.327 1.00 0.00 C ATOM 1222 CD PRO B 29 2.797 -8.403 -8.253 1.00 0.00 C ATOM 0 HA PRO B 29 4.115 -6.833 -10.643 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.548 -6.010 -9.238 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.732 -6.643 -10.862 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.767 -8.206 -8.931 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.859 -8.872 -10.129 1.00 0.00 H new ATOM 0 HD2 PRO B 29 2.418 -8.137 -7.266 1.00 0.00 H new ATOM 0 HD3 PRO B 29 3.075 -9.456 -8.214 1.00 0.00 H new ATOM 1230 N ASN B 30 4.230 -4.379 -10.400 1.00 0.00 N ATOM 1231 CA ASN B 30 4.601 -2.978 -10.210 1.00 0.00 C ATOM 1232 C ASN B 30 3.553 -2.228 -9.388 1.00 0.00 C ATOM 1233 O ASN B 30 3.866 -1.242 -8.721 1.00 0.00 O ATOM 1234 CB ASN B 30 4.787 -2.296 -11.567 1.00 0.00 C ATOM 1235 CG ASN B 30 5.694 -1.083 -11.485 1.00 0.00 C ATOM 1236 OD1 ASN B 30 5.289 -0.023 -11.009 1.00 0.00 O ATOM 1237 ND2 ASN B 30 6.929 -1.236 -11.950 1.00 0.00 N ATOM 0 H ASN B 30 4.206 -4.679 -11.375 1.00 0.00 H new ATOM 0 HA ASN B 30 5.541 -2.953 -9.659 1.00 0.00 H new ATOM 0 HB2 ASN B 30 5.204 -3.011 -12.276 1.00 0.00 H new ATOM 0 HB3 ASN B 30 3.814 -1.993 -11.955 1.00 0.00 H new ATOM 0 HD21 ASN B 30 7.585 -0.456 -11.921 1.00 0.00 H new ATOM 0 HD22 ASN B 30 7.221 -2.134 -12.336 1.00 0.00 H new ATOM 1244 N LEU B 31 2.312 -2.702 -9.438 1.00 0.00 N ATOM 1245 CA LEU B 31 1.226 -2.074 -8.695 1.00 0.00 C ATOM 1246 C LEU B 31 1.393 -2.296 -7.196 1.00 0.00 C ATOM 1247 O LEU B 31 1.263 -1.363 -6.403 1.00 0.00 O ATOM 1248 CB LEU B 31 -0.121 -2.633 -9.162 1.00 0.00 C ATOM 1249 CG LEU B 31 -1.349 -2.041 -8.465 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -1.898 -0.866 -9.261 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -2.422 -3.107 -8.277 1.00 0.00 C ATOM 0 H LEU B 31 2.034 -3.517 -9.984 1.00 0.00 H new ATOM 0 HA LEU B 31 1.255 -1.001 -8.887 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -0.215 -2.463 -10.235 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -0.121 -3.712 -9.009 1.00 0.00 H new ATOM 0 HG LEU B 31 -1.047 -1.680 -7.482 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -2.771 -0.457 -8.751 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -1.133 -0.095 -9.346 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -2.185 -1.203 -10.257 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -3.287 -2.669 -7.780 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -2.721 -3.498 -9.250 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -2.026 -3.918 -7.667 1.00 0.00 H new ATOM 1263 N VAL B 32 1.685 -3.534 -6.811 1.00 0.00 N ATOM 1264 CA VAL B 32 1.872 -3.872 -5.405 1.00 0.00 C ATOM 1265 C VAL B 32 3.097 -3.170 -4.830 1.00 0.00 C ATOM 1266 O VAL B 32 3.041 -2.587 -3.748 1.00 0.00 O ATOM 1267 CB VAL B 32 2.025 -5.392 -5.204 1.00 0.00 C ATOM 1268 CG1 VAL B 32 2.021 -5.737 -3.722 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.923 -6.141 -5.938 1.00 0.00 C ATOM 0 H VAL B 32 1.797 -4.319 -7.452 1.00 0.00 H new ATOM 0 HA VAL B 32 0.980 -3.533 -4.879 1.00 0.00 H new ATOM 0 HB VAL B 32 2.983 -5.702 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL B 32 2.130 -6.815 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL B 32 2.850 -5.230 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL B 32 1.080 -5.414 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL B 32 1.047 -7.213 -5.785 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.048 -5.829 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL B 32 0.979 -5.918 -7.003 1.00 0.00 H new ATOM 1279 N ALA B 33 4.206 -3.232 -5.561 1.00 0.00 N ATOM 1280 CA ALA B 33 5.444 -2.605 -5.122 1.00 0.00 C ATOM 1281 C ALA B 33 5.286 -1.092 -5.016 1.00 0.00 C ATOM 1282 O ALA B 33 5.864 -0.457 -4.134 1.00 0.00 O ATOM 1283 CB ALA B 33 6.580 -2.954 -6.070 1.00 0.00 C ATOM 0 H ALA B 33 4.271 -3.710 -6.460 1.00 0.00 H new ATOM 0 HA ALA B 33 5.684 -2.989 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA B 33 7.499 -2.478 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.718 -4.035 -6.090 1.00 0.00 H new ATOM 0 HB3 ALA B 33 6.339 -2.600 -7.072 1.00 0.00 H new ATOM 1289 N ARG B 34 4.499 -0.518 -5.922 1.00 0.00 N ATOM 1290 CA ARG B 34 4.268 0.921 -5.926 1.00 0.00 C ATOM 1291 C ARG B 34 3.597 1.363 -4.630 1.00 0.00 C ATOM 1292 O ARG B 34 3.867 2.448 -4.118 1.00 0.00 O ATOM 1293 CB ARG B 34 3.406 1.319 -7.124 1.00 0.00 C ATOM 1294 CG ARG B 34 4.212 1.657 -8.367 1.00 0.00 C ATOM 1295 CD ARG B 34 3.352 1.616 -9.620 1.00 0.00 C ATOM 1296 NE ARG B 34 2.309 2.639 -9.601 1.00 0.00 N ATOM 1297 CZ ARG B 34 1.410 2.807 -10.572 1.00 0.00 C ATOM 1298 NH1 ARG B 34 1.416 2.021 -11.643 1.00 0.00 N ATOM 1299 NH2 ARG B 34 0.501 3.766 -10.469 1.00 0.00 N ATOM 0 H ARG B 34 4.012 -1.027 -6.660 1.00 0.00 H new ATOM 0 HA ARG B 34 5.234 1.420 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG B 34 2.721 0.503 -7.356 1.00 0.00 H new ATOM 0 HB3 ARG B 34 2.795 2.180 -6.852 1.00 0.00 H new ATOM 0 HG2 ARG B 34 4.651 2.649 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG B 34 5.038 0.953 -8.469 1.00 0.00 H new ATOM 0 HD2 ARG B 34 3.983 1.758 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG B 34 2.893 0.632 -9.713 1.00 0.00 H new ATOM 0 HE ARG B 34 2.266 3.263 -8.795 1.00 0.00 H new ATOM 0 HH11 ARG B 34 2.112 1.281 -11.728 1.00 0.00 H new ATOM 0 HH12 ARG B 34 0.724 2.158 -12.380 1.00 0.00 H new ATOM 0 HH21 ARG B 34 0.490 4.373 -9.649 1.00 0.00 H new ATOM 0 HH22 ARG B 34 -0.188 3.897 -11.210 1.00 0.00 H new ATOM 1313 N GLN B 35 2.721 0.514 -4.105 1.00 0.00 N ATOM 1314 CA GLN B 35 2.008 0.816 -2.869 1.00 0.00 C ATOM 1315 C GLN B 35 2.983 0.928 -1.701 1.00 0.00 C ATOM 1316 O GLN B 35 2.771 1.709 -0.774 1.00 0.00 O ATOM 1317 CB GLN B 35 0.966 -0.264 -2.580 1.00 0.00 C ATOM 1318 CG GLN B 35 -0.239 -0.207 -3.504 1.00 0.00 C ATOM 1319 CD GLN B 35 -0.948 1.132 -3.457 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -1.476 1.563 -4.598 1.00 0.00 O flip ATOM 1321 NE2 GLN B 35 -1.020 1.773 -2.408 1.00 0.00 N flip ATOM 0 H GLN B 35 2.487 -0.390 -4.516 1.00 0.00 H new ATOM 0 HA GLN B 35 1.500 1.773 -2.991 1.00 0.00 H new ATOM 0 HB2 GLN B 35 1.436 -1.244 -2.669 1.00 0.00 H new ATOM 0 HB3 GLN B 35 0.628 -0.165 -1.549 1.00 0.00 H new ATOM 0 HG2 GLN B 35 0.082 -0.408 -4.526 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -0.940 -0.995 -3.229 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -0.600 1.404 -1.555 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -1.500 2.673 -2.392 1.00 0.00 H new ATOM 1330 N ILE B 36 4.057 0.146 -1.756 1.00 0.00 N ATOM 1331 CA ILE B 36 5.069 0.161 -0.706 1.00 0.00 C ATOM 1332 C ILE B 36 5.829 1.482 -0.709 1.00 0.00 C ATOM 1333 O ILE B 36 5.908 2.169 0.309 1.00 0.00 O ATOM 1334 CB ILE B 36 6.066 -1.004 -0.869 1.00 0.00 C ATOM 1335 CG1 ILE B 36 5.313 -2.329 -1.000 1.00 0.00 C ATOM 1336 CG2 ILE B 36 7.032 -1.051 0.304 1.00 0.00 C ATOM 1337 CD1 ILE B 36 6.220 -3.519 -1.218 1.00 0.00 C ATOM 0 H ILE B 36 4.249 -0.506 -2.517 1.00 0.00 H new ATOM 0 HA ILE B 36 4.550 0.045 0.246 1.00 0.00 H new ATOM 0 HB ILE B 36 6.644 -0.841 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE B 36 4.722 -2.493 -0.099 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.612 -2.259 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.727 -1.880 0.170 1.00 0.00 H new ATOM 0 HG22 ILE B 36 7.589 -0.115 0.355 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.474 -1.192 1.230 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.619 -4.424 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE B 36 6.792 -3.377 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.904 -3.615 -0.375 1.00 0.00 H new ATOM 1349 N VAL B 37 6.383 1.836 -1.865 1.00 0.00 N ATOM 1350 CA VAL B 37 7.133 3.078 -2.003 1.00 0.00 C ATOM 1351 C VAL B 37 6.214 4.283 -1.830 1.00 0.00 C ATOM 1352 O VAL B 37 6.595 5.287 -1.226 1.00 0.00 O ATOM 1353 CB VAL B 37 7.828 3.164 -3.376 1.00 0.00 C ATOM 1354 CG1 VAL B 37 8.711 4.400 -3.457 1.00 0.00 C ATOM 1355 CG2 VAL B 37 8.637 1.904 -3.644 1.00 0.00 C ATOM 0 H VAL B 37 6.326 1.280 -2.718 1.00 0.00 H new ATOM 0 HA VAL B 37 7.894 3.085 -1.223 1.00 0.00 H new ATOM 0 HB VAL B 37 7.060 3.247 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL B 37 9.192 4.440 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL B 37 8.102 5.292 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL B 37 9.474 4.354 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL B 37 9.121 1.982 -4.618 1.00 0.00 H new ATOM 0 HG22 VAL B 37 9.396 1.787 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL B 37 7.975 1.038 -3.636 1.00 0.00 H new ATOM 1365 N ASN B 38 5.001 4.173 -2.363 1.00 0.00 N ATOM 1366 CA ASN B 38 4.024 5.252 -2.270 1.00 0.00 C ATOM 1367 C ASN B 38 3.556 5.438 -0.830 1.00 0.00 C ATOM 1368 O ASN B 38 3.283 6.558 -0.395 1.00 0.00 O ATOM 1369 CB ASN B 38 2.825 4.961 -3.175 1.00 0.00 C ATOM 1370 CG ASN B 38 3.161 5.122 -4.644 1.00 0.00 C ATOM 1371 OD1 ASN B 38 4.177 5.718 -4.999 1.00 0.00 O ATOM 1372 ND2 ASN B 38 2.304 4.591 -5.509 1.00 0.00 N ATOM 0 H ASN B 38 4.671 3.348 -2.864 1.00 0.00 H new ATOM 0 HA ASN B 38 4.504 6.174 -2.599 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.474 3.945 -2.994 1.00 0.00 H new ATOM 0 HB3 ASN B 38 2.006 5.632 -2.916 1.00 0.00 H new ATOM 0 HD21 ASN B 38 2.477 4.669 -6.511 1.00 0.00 H new ATOM 0 HD22 ASN B 38 1.473 4.105 -5.171 1.00 0.00 H new ATOM 1379 N SER B 39 3.470 4.335 -0.092 1.00 0.00 N ATOM 1380 CA SER B 39 3.040 4.382 1.301 1.00 0.00 C ATOM 1381 C SER B 39 4.061 5.118 2.161 1.00 0.00 C ATOM 1382 O SER B 39 3.711 5.742 3.162 1.00 0.00 O ATOM 1383 CB SER B 39 2.826 2.965 1.839 1.00 0.00 C ATOM 1384 OG SER B 39 2.564 2.985 3.233 1.00 0.00 O ATOM 0 H SER B 39 3.692 3.400 -0.435 1.00 0.00 H new ATOM 0 HA SER B 39 2.096 4.926 1.346 1.00 0.00 H new ATOM 0 HB2 SER B 39 1.993 2.495 1.316 1.00 0.00 H new ATOM 0 HB3 SER B 39 3.710 2.359 1.640 1.00 0.00 H new ATOM 0 HG SER B 39 2.429 2.069 3.554 1.00 0.00 H new ATOM 1390 N CYS B 40 5.330 5.042 1.760 1.00 0.00 N ATOM 1391 CA CYS B 40 6.406 5.703 2.491 1.00 0.00 C ATOM 1392 C CYS B 40 6.164 7.210 2.564 1.00 0.00 C ATOM 1393 O CYS B 40 5.733 7.825 1.590 1.00 0.00 O ATOM 1394 CB CYS B 40 7.749 5.413 1.818 1.00 0.00 C ATOM 1395 SG CYS B 40 9.179 6.048 2.720 1.00 0.00 S ATOM 0 H CYS B 40 5.636 4.529 0.933 1.00 0.00 H new ATOM 0 HA CYS B 40 6.426 5.312 3.508 1.00 0.00 H new ATOM 0 HB2 CYS B 40 7.858 4.335 1.698 1.00 0.00 H new ATOM 0 HB3 CYS B 40 7.743 5.846 0.818 1.00 0.00 H new ATOM 1400 N ALA B 41 6.432 7.794 3.729 1.00 0.00 N ATOM 1401 CA ALA B 41 6.233 9.227 3.933 1.00 0.00 C ATOM 1402 C ALA B 41 7.387 10.048 3.366 1.00 0.00 C ATOM 1403 O ALA B 41 7.180 10.925 2.527 1.00 0.00 O ATOM 1404 CB ALA B 41 6.051 9.525 5.413 1.00 0.00 C ATOM 0 H ALA B 41 6.787 7.298 4.546 1.00 0.00 H new ATOM 0 HA ALA B 41 5.331 9.515 3.394 1.00 0.00 H new ATOM 0 HB1 ALA B 41 5.904 10.596 5.553 1.00 0.00 H new ATOM 0 HB2 ALA B 41 5.181 8.987 5.788 1.00 0.00 H new ATOM 0 HB3 ALA B 41 6.938 9.206 5.960 1.00 0.00 H new ATOM 1410 N GLN B 42 8.601 9.768 3.835 1.00 0.00 N ATOM 1411 CA GLN B 42 9.790 10.490 3.380 1.00 0.00 C ATOM 1412 C GLN B 42 9.909 10.466 1.856 1.00 0.00 C ATOM 1413 O GLN B 42 10.054 11.508 1.217 1.00 0.00 O ATOM 1414 CB GLN B 42 11.048 9.886 4.008 1.00 0.00 C ATOM 1415 CG GLN B 42 11.337 10.401 5.409 1.00 0.00 C ATOM 1416 CD GLN B 42 12.158 11.675 5.404 1.00 0.00 C ATOM 1417 OE1 GLN B 42 13.389 11.631 5.377 1.00 0.00 O ATOM 1418 NE2 GLN B 42 11.482 12.816 5.432 1.00 0.00 N ATOM 0 H GLN B 42 8.789 9.046 4.531 1.00 0.00 H new ATOM 0 HA GLN B 42 9.689 11.528 3.697 1.00 0.00 H new ATOM 0 HB2 GLN B 42 10.941 8.802 4.043 1.00 0.00 H new ATOM 0 HB3 GLN B 42 11.903 10.102 3.367 1.00 0.00 H new ATOM 0 HG2 GLN B 42 10.395 10.582 5.927 1.00 0.00 H new ATOM 0 HG3 GLN B 42 11.868 9.633 5.972 1.00 0.00 H new ATOM 0 HE21 GLN B 42 10.462 12.804 5.454 1.00 0.00 H new ATOM 0 HE22 GLN B 42 11.982 13.705 5.432 1.00 0.00 H new ATOM 1427 N CYS B 43 9.840 9.270 1.287 1.00 0.00 N ATOM 1428 CA CYS B 43 9.932 9.096 -0.161 1.00 0.00 C ATOM 1429 C CYS B 43 8.865 9.912 -0.887 1.00 0.00 C ATOM 1430 O CYS B 43 9.060 10.330 -2.028 1.00 0.00 O ATOM 1431 CB CYS B 43 9.797 7.614 -0.526 1.00 0.00 C ATOM 1432 SG CYS B 43 11.320 6.660 -0.333 1.00 0.00 S ATOM 0 H CYS B 43 9.720 8.401 1.807 1.00 0.00 H new ATOM 0 HA CYS B 43 10.910 9.457 -0.480 1.00 0.00 H new ATOM 0 HB2 CYS B 43 9.021 7.168 0.096 1.00 0.00 H new ATOM 0 HB3 CYS B 43 9.461 7.535 -1.560 1.00 0.00 H new ATOM 1437 N GLN B 44 7.736 10.134 -0.219 1.00 0.00 N ATOM 1438 CA GLN B 44 6.642 10.902 -0.802 1.00 0.00 C ATOM 1439 C GLN B 44 6.952 12.396 -0.779 1.00 0.00 C ATOM 1440 O GLN B 44 7.182 13.009 -1.820 1.00 0.00 O ATOM 1441 CB GLN B 44 5.339 10.625 -0.053 1.00 0.00 C ATOM 1442 CG GLN B 44 4.538 9.471 -0.631 1.00 0.00 C ATOM 1443 CD GLN B 44 3.150 9.367 -0.030 1.00 0.00 C ATOM 1444 OE1 GLN B 44 2.153 9.280 -0.746 1.00 0.00 O ATOM 1445 NE2 GLN B 44 3.079 9.376 1.296 1.00 0.00 N ATOM 0 H GLN B 44 7.556 9.793 0.725 1.00 0.00 H new ATOM 0 HA GLN B 44 6.526 10.591 -1.840 1.00 0.00 H new ATOM 0 HB2 GLN B 44 5.568 10.410 0.991 1.00 0.00 H new ATOM 0 HB3 GLN B 44 4.724 11.525 -0.065 1.00 0.00 H new ATOM 0 HG2 GLN B 44 4.454 9.596 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN B 44 5.075 8.538 -0.459 1.00 0.00 H new ATOM 0 HE21 GLN B 44 3.931 9.450 1.852 1.00 0.00 H new ATOM 0 HE22 GLN B 44 2.172 9.309 1.759 1.00 0.00 H new ATOM 1454 N GLN B 45 6.956 12.975 0.419 1.00 0.00 N ATOM 1455 CA GLN B 45 7.238 14.398 0.579 1.00 0.00 C ATOM 1456 C GLN B 45 8.733 14.674 0.448 1.00 0.00 C ATOM 1457 O GLN B 45 9.527 14.254 1.290 1.00 0.00 O ATOM 1458 CB GLN B 45 6.737 14.891 1.938 1.00 0.00 C ATOM 1459 CG GLN B 45 5.253 14.651 2.166 1.00 0.00 C ATOM 1460 CD GLN B 45 4.776 15.198 3.497 1.00 0.00 C ATOM 1461 OE1 GLN B 45 5.167 14.709 4.558 1.00 0.00 O ATOM 1462 NE2 GLN B 45 3.924 16.216 3.448 1.00 0.00 N ATOM 0 H GLN B 45 6.767 12.481 1.291 1.00 0.00 H new ATOM 0 HA GLN B 45 6.714 14.936 -0.211 1.00 0.00 H new ATOM 0 HB2 GLN B 45 7.302 14.393 2.726 1.00 0.00 H new ATOM 0 HB3 GLN B 45 6.941 15.958 2.025 1.00 0.00 H new ATOM 0 HG2 GLN B 45 4.685 15.116 1.361 1.00 0.00 H new ATOM 0 HG3 GLN B 45 5.050 13.581 2.122 1.00 0.00 H new ATOM 0 HE21 GLN B 45 3.627 16.590 2.547 1.00 0.00 H new ATOM 0 HE22 GLN B 45 3.567 16.624 4.312 1.00 0.00 H new ATOM 1471 N LYS B 46 9.109 15.386 -0.608 1.00 0.00 N ATOM 1472 CA LYS B 46 10.509 15.718 -0.845 1.00 0.00 C ATOM 1473 C LYS B 46 10.961 16.851 0.073 1.00 0.00 C ATOM 1474 O LYS B 46 10.158 17.268 0.936 1.00 0.00 O ATOM 1475 CB LYS B 46 10.722 16.115 -2.306 1.00 0.00 C ATOM 1476 CG LYS B 46 10.116 15.133 -3.298 1.00 0.00 C ATOM 1477 CD LYS B 46 11.000 14.962 -4.523 1.00 0.00 C ATOM 1478 CE LYS B 46 10.395 13.984 -5.517 1.00 0.00 C ATOM 1479 NZ LYS B 46 11.426 13.084 -6.105 1.00 0.00 N ATOM 1480 OXT LYS B 46 12.110 17.311 -0.079 1.00 0.00 O ATOM 0 H LYS B 46 8.465 15.744 -1.313 1.00 0.00 H new ATOM 0 HA LYS B 46 11.108 14.834 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS B 46 10.289 17.101 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS B 46 11.791 16.200 -2.499 1.00 0.00 H new ATOM 0 HG2 LYS B 46 9.972 14.167 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS B 46 9.131 15.485 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS B 46 11.146 15.929 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS B 46 11.984 14.608 -4.216 1.00 0.00 H new ATOM 0 HE2 LYS B 46 9.631 13.386 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS B 46 9.898 14.537 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 10.975 12.432 -6.778 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 12.141 13.653 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 11.883 12.538 -5.347 1.00 0.00 H new TER 1494 LYS B 46 HETATM 1495 ZN ZN A 147 -16.461 5.375 -9.474 1.00 0.00 ZN HETATM 1496 ZN ZN B 147 11.009 5.333 1.525 1.00 0.00 ZN