USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=10 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 : amide:sc= -1.38 X(o=-2.7,f=-2.5) USER MOD Set 1.2: B 35 GLN : amide:sc= -1.36 X(o=-2.7,f=-2.5) 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 : amide:sc= -0.385 X(o=-0.39,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= -0.0906 K(o=-0.091,f=-2.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -72:sc= 1.08 USER MOD Single : A 24 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.06) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 38 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.2) USER MOD Single : A 39 SER OG : rot 75:sc= 0.535 USER MOD Single : A 42 GLN : amide:sc= -0.07 K(o=-0.07,f=-1.3) USER MOD Single : A 44 GLN : amide:sc= -1.32 X(o=-1.3,f=-0.99) 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 : amide:sc= -0.405 X(o=-0.4,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= -0.151 K(o=-0.15,f=-2.4!) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot -89:sc= 1.12 USER MOD Single : B 24 HIS : no HD1:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.06) USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : B 38 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.1) USER MOD Single : B 39 SER OG : rot 76:sc= 0.519 USER MOD Single : B 42 GLN : amide:sc= -0.044 K(o=-0.044,f=-1.1) USER MOD Single : B 44 GLN : amide:sc= -1.38 X(o=-1.4,f=-0.97) 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 -3.560 -12.314 -10.065 1.00 0.00 N ATOM 2 CA PHE A 1 -3.700 -11.016 -9.356 1.00 0.00 C ATOM 3 C PHE A 1 -4.588 -10.052 -10.145 1.00 0.00 C ATOM 4 O PHE A 1 -5.779 -9.931 -9.862 1.00 0.00 O ATOM 5 CB PHE A 1 -2.299 -10.432 -9.132 1.00 0.00 C ATOM 6 CG PHE A 1 -2.293 -9.105 -8.426 1.00 0.00 C ATOM 7 CD1 PHE A 1 -2.225 -9.047 -7.042 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.349 -7.922 -9.141 1.00 0.00 C ATOM 9 CE1 PHE A 1 -2.213 -7.831 -6.387 1.00 0.00 C ATOM 10 CE2 PHE A 1 -2.339 -6.701 -8.491 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.271 -6.655 -7.111 1.00 0.00 C ATOM 0 H1 PHE A 1 -2.953 -12.950 -9.509 1.00 0.00 H new ATOM 0 H2 PHE A 1 -4.498 -12.747 -10.184 1.00 0.00 H new ATOM 0 H3 PHE A 1 -3.131 -12.155 -10.999 1.00 0.00 H new ATOM 0 HA PHE A 1 -4.186 -11.172 -8.393 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -1.709 -11.142 -8.553 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -1.805 -10.320 -10.097 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -2.181 -9.962 -6.470 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -2.401 -7.952 -10.219 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -2.158 -7.799 -5.309 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -2.384 -5.785 -9.061 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.263 -5.703 -6.600 1.00 0.00 H new ATOM 23 N LEU A 2 -4.016 -9.380 -11.136 1.00 0.00 N ATOM 24 CA LEU A 2 -4.777 -8.439 -11.954 1.00 0.00 C ATOM 25 C LEU A 2 -5.911 -9.137 -12.706 1.00 0.00 C ATOM 26 O LEU A 2 -6.844 -8.486 -13.169 1.00 0.00 O ATOM 27 CB LEU A 2 -3.872 -7.692 -12.950 1.00 0.00 C ATOM 28 CG LEU A 2 -2.763 -8.500 -13.655 1.00 0.00 C ATOM 29 CD1 LEU A 2 -1.476 -8.486 -12.841 1.00 0.00 C ATOM 30 CD2 LEU A 2 -3.199 -9.933 -13.950 1.00 0.00 C ATOM 0 H LEU A 2 -3.033 -9.467 -11.393 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.212 -7.711 -11.269 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.509 -7.254 -13.719 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.399 -6.866 -12.419 1.00 0.00 H new ATOM 0 HG LEU A 2 -2.572 -8.014 -14.612 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.711 -9.063 -13.360 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.135 -7.458 -12.718 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.660 -8.927 -11.861 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -2.388 -10.465 -14.447 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.446 -10.438 -13.016 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.075 -9.921 -14.598 1.00 0.00 H new ATOM 42 N GLU A 3 -5.824 -10.459 -12.833 1.00 0.00 N ATOM 43 CA GLU A 3 -6.845 -11.227 -13.535 1.00 0.00 C ATOM 44 C GLU A 3 -8.217 -11.035 -12.898 1.00 0.00 C ATOM 45 O GLU A 3 -9.191 -10.717 -13.581 1.00 0.00 O ATOM 46 CB GLU A 3 -6.475 -12.711 -13.537 1.00 0.00 C ATOM 47 CG GLU A 3 -5.342 -13.055 -14.492 1.00 0.00 C ATOM 48 CD GLU A 3 -4.749 -14.422 -14.222 1.00 0.00 C ATOM 49 OE1 GLU A 3 -4.715 -14.831 -13.043 1.00 0.00 O ATOM 50 OE2 GLU A 3 -4.318 -15.085 -15.189 1.00 0.00 O ATOM 0 H GLU A 3 -5.058 -11.019 -12.459 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.894 -10.864 -14.562 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.191 -13.007 -12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.355 -13.296 -13.805 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.712 -13.019 -15.517 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.560 -12.301 -14.409 1.00 0.00 H new ATOM 57 N LYS A 4 -8.290 -11.238 -11.586 1.00 0.00 N ATOM 58 CA LYS A 4 -9.546 -11.095 -10.859 1.00 0.00 C ATOM 59 C LYS A 4 -9.745 -9.664 -10.371 1.00 0.00 C ATOM 60 O LYS A 4 -10.878 -9.202 -10.222 1.00 0.00 O ATOM 61 CB LYS A 4 -9.576 -12.054 -9.671 1.00 0.00 C ATOM 62 CG LYS A 4 -8.423 -11.843 -8.714 1.00 0.00 C ATOM 63 CD LYS A 4 -8.684 -12.501 -7.370 1.00 0.00 C ATOM 64 CE LYS A 4 -7.980 -11.764 -6.245 1.00 0.00 C ATOM 65 NZ LYS A 4 -6.578 -12.229 -6.070 1.00 0.00 N ATOM 0 H LYS A 4 -7.494 -11.502 -11.005 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.359 -11.338 -11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.516 -11.928 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.554 -13.080 -10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.510 -12.251 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.259 -10.775 -8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.756 -12.524 -7.177 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.343 -13.536 -7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.984 -10.694 -6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.530 -11.910 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.132 -11.702 -5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.574 -13.245 -5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.046 -12.066 -6.949 1.00 0.00 H new ATOM 79 N ILE A 5 -8.643 -8.965 -10.118 1.00 0.00 N ATOM 80 CA ILE A 5 -8.705 -7.588 -9.643 1.00 0.00 C ATOM 81 C ILE A 5 -9.251 -6.654 -10.727 1.00 0.00 C ATOM 82 O ILE A 5 -9.954 -5.690 -10.426 1.00 0.00 O ATOM 83 CB ILE A 5 -7.315 -7.093 -9.180 1.00 0.00 C ATOM 84 CG1 ILE A 5 -6.762 -8.011 -8.088 1.00 0.00 C ATOM 85 CG2 ILE A 5 -7.385 -5.657 -8.670 1.00 0.00 C ATOM 86 CD1 ILE A 5 -5.251 -7.998 -8.003 1.00 0.00 C ATOM 0 H ILE A 5 -7.697 -9.329 -10.234 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.384 -7.571 -8.791 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.645 -7.117 -10.040 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.176 -7.709 -7.126 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.100 -9.030 -8.275 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.394 -5.335 -8.351 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.739 -5.004 -9.468 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.073 -5.604 -7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.925 -8.670 -7.209 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.830 -8.328 -8.953 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.907 -6.987 -7.786 1.00 0.00 H new ATOM 98 N GLU A 6 -8.920 -6.940 -11.982 1.00 0.00 N ATOM 99 CA GLU A 6 -9.381 -6.117 -13.097 1.00 0.00 C ATOM 100 C GLU A 6 -10.912 -6.068 -13.148 1.00 0.00 C ATOM 101 O GLU A 6 -11.503 -4.996 -13.019 1.00 0.00 O ATOM 102 CB GLU A 6 -8.821 -6.642 -14.421 1.00 0.00 C ATOM 103 CG GLU A 6 -7.563 -5.922 -14.877 1.00 0.00 C ATOM 104 CD GLU A 6 -7.544 -5.667 -16.372 1.00 0.00 C ATOM 105 OE1 GLU A 6 -7.305 -6.624 -17.135 1.00 0.00 O ATOM 106 OE2 GLU A 6 -7.772 -4.508 -16.779 1.00 0.00 O ATOM 0 H GLU A 6 -8.337 -7.732 -12.253 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.013 -5.103 -12.941 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.604 -7.705 -14.318 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.585 -6.546 -15.193 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.482 -4.972 -14.349 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.690 -6.515 -14.602 1.00 0.00 H new ATOM 113 N PRO A 7 -11.585 -7.229 -13.334 1.00 0.00 N ATOM 114 CA PRO A 7 -13.052 -7.291 -13.392 1.00 0.00 C ATOM 115 C PRO A 7 -13.725 -6.440 -12.317 1.00 0.00 C ATOM 116 O PRO A 7 -14.794 -5.871 -12.536 1.00 0.00 O ATOM 117 CB PRO A 7 -13.348 -8.769 -13.153 1.00 0.00 C ATOM 118 CG PRO A 7 -12.154 -9.490 -13.677 1.00 0.00 C ATOM 119 CD PRO A 7 -10.976 -8.565 -13.498 1.00 0.00 C ATOM 0 HA PRO A 7 -13.434 -6.904 -14.337 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.500 -8.975 -12.093 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.255 -9.079 -13.671 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.998 -10.424 -13.137 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.288 -9.748 -14.728 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.382 -8.841 -12.627 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.311 -8.596 -14.361 1.00 0.00 H new ATOM 127 N ALA A 8 -13.085 -6.360 -11.155 1.00 0.00 N ATOM 128 CA ALA A 8 -13.615 -5.581 -10.043 1.00 0.00 C ATOM 129 C ALA A 8 -13.565 -4.090 -10.352 1.00 0.00 C ATOM 130 O ALA A 8 -14.488 -3.344 -10.019 1.00 0.00 O ATOM 131 CB ALA A 8 -12.842 -5.886 -8.769 1.00 0.00 C ATOM 0 H ALA A 8 -12.199 -6.825 -10.959 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.658 -5.862 -9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.249 -5.297 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.931 -6.947 -8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.791 -5.633 -8.911 1.00 0.00 H new ATOM 137 N GLN A 9 -12.484 -3.659 -10.993 1.00 0.00 N ATOM 138 CA GLN A 9 -12.316 -2.254 -11.351 1.00 0.00 C ATOM 139 C GLN A 9 -13.413 -1.810 -12.311 1.00 0.00 C ATOM 140 O GLN A 9 -13.908 -0.686 -12.230 1.00 0.00 O ATOM 141 CB GLN A 9 -10.941 -2.022 -11.981 1.00 0.00 C ATOM 142 CG GLN A 9 -9.824 -1.857 -10.964 1.00 0.00 C ATOM 143 CD GLN A 9 -8.455 -1.770 -11.609 1.00 0.00 C ATOM 144 OE1 GLN A 9 -8.184 -0.860 -12.396 1.00 0.00 O ATOM 145 NE2 GLN A 9 -7.584 -2.714 -11.278 1.00 0.00 N ATOM 0 H GLN A 9 -11.711 -4.262 -11.276 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.389 -1.660 -10.440 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.704 -2.861 -12.635 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.984 -1.132 -12.608 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.003 -0.956 -10.377 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.842 -2.698 -10.271 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.852 -3.448 -10.622 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.646 -2.706 -11.679 1.00 0.00 H new ATOM 154 N GLU A 10 -13.793 -2.703 -13.220 1.00 0.00 N ATOM 155 CA GLU A 10 -14.837 -2.408 -14.195 1.00 0.00 C ATOM 156 C GLU A 10 -16.202 -2.337 -13.520 1.00 0.00 C ATOM 157 O GLU A 10 -17.081 -1.588 -13.949 1.00 0.00 O ATOM 158 CB GLU A 10 -14.851 -3.469 -15.295 1.00 0.00 C ATOM 159 CG GLU A 10 -13.669 -3.376 -16.248 1.00 0.00 C ATOM 160 CD GLU A 10 -13.866 -4.202 -17.503 1.00 0.00 C ATOM 161 OE1 GLU A 10 -14.435 -3.673 -18.480 1.00 0.00 O ATOM 162 OE2 GLU A 10 -13.452 -5.382 -17.509 1.00 0.00 O ATOM 0 H GLU A 10 -13.393 -3.638 -13.301 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.621 -1.438 -14.642 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.859 -4.457 -14.835 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.775 -3.376 -15.866 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.511 -2.334 -16.525 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.767 -3.710 -15.736 1.00 0.00 H new ATOM 169 N GLU A 11 -16.374 -3.120 -12.461 1.00 0.00 N ATOM 170 CA GLU A 11 -17.631 -3.147 -11.721 1.00 0.00 C ATOM 171 C GLU A 11 -17.889 -1.811 -11.041 1.00 0.00 C ATOM 172 O GLU A 11 -19.018 -1.320 -11.030 1.00 0.00 O ATOM 173 CB GLU A 11 -17.608 -4.267 -10.678 1.00 0.00 C ATOM 174 CG GLU A 11 -18.895 -4.382 -9.879 1.00 0.00 C ATOM 175 CD GLU A 11 -20.017 -5.022 -10.673 1.00 0.00 C ATOM 176 OE1 GLU A 11 -19.841 -6.169 -11.131 1.00 0.00 O ATOM 177 OE2 GLU A 11 -21.073 -4.373 -10.834 1.00 0.00 O ATOM 0 H GLU A 11 -15.657 -3.746 -12.095 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.438 -3.335 -12.430 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.416 -5.215 -11.180 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.779 -4.096 -9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.709 -4.970 -8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.206 -3.390 -9.552 1.00 0.00 H new ATOM 184 N HIS A 12 -16.844 -1.220 -10.472 1.00 0.00 N ATOM 185 CA HIS A 12 -16.985 0.062 -9.796 1.00 0.00 C ATOM 186 C HIS A 12 -17.414 1.149 -10.779 1.00 0.00 C ATOM 187 O HIS A 12 -18.255 1.985 -10.464 1.00 0.00 O ATOM 188 CB HIS A 12 -15.681 0.479 -9.104 1.00 0.00 C ATOM 189 CG HIS A 12 -15.849 1.748 -8.334 1.00 0.00 C ATOM 190 ND1 HIS A 12 -15.829 1.833 -6.958 1.00 0.00 N ATOM 191 CD2 HIS A 12 -16.163 2.980 -8.787 1.00 0.00 C ATOM 192 CE1 HIS A 12 -16.148 3.094 -6.625 1.00 0.00 C ATOM 193 NE2 HIS A 12 -16.361 3.824 -7.704 1.00 0.00 N ATOM 0 H HIS A 12 -15.899 -1.604 -10.465 1.00 0.00 H new ATOM 0 HA HIS A 12 -17.756 -0.058 -9.035 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -15.355 -0.315 -8.432 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.897 0.607 -9.850 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -15.611 1.075 -6.311 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.247 3.263 -9.826 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -16.220 3.461 -5.612 1.00 0.00 H new ATOM 201 N GLU A 13 -16.826 1.136 -11.963 1.00 0.00 N ATOM 202 CA GLU A 13 -17.142 2.128 -12.983 1.00 0.00 C ATOM 203 C GLU A 13 -18.600 2.039 -13.448 1.00 0.00 C ATOM 204 O GLU A 13 -19.083 2.932 -14.145 1.00 0.00 O ATOM 205 CB GLU A 13 -16.210 1.960 -14.184 1.00 0.00 C ATOM 206 CG GLU A 13 -14.745 2.213 -13.857 1.00 0.00 C ATOM 207 CD GLU A 13 -13.812 1.716 -14.943 1.00 0.00 C ATOM 208 OE1 GLU A 13 -13.711 2.384 -15.992 1.00 0.00 O ATOM 209 OE2 GLU A 13 -13.180 0.655 -14.742 1.00 0.00 O ATOM 0 H GLU A 13 -16.126 0.450 -12.244 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.997 3.110 -12.533 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.317 0.949 -14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.521 2.644 -14.974 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.589 3.282 -13.710 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.496 1.722 -12.916 1.00 0.00 H new ATOM 216 N LYS A 14 -19.299 0.960 -13.087 1.00 0.00 N ATOM 217 CA LYS A 14 -20.686 0.785 -13.508 1.00 0.00 C ATOM 218 C LYS A 14 -21.691 1.053 -12.384 1.00 0.00 C ATOM 219 O LYS A 14 -22.862 1.322 -12.656 1.00 0.00 O ATOM 220 CB LYS A 14 -20.891 -0.631 -14.048 1.00 0.00 C ATOM 221 CG LYS A 14 -19.864 -1.039 -15.090 1.00 0.00 C ATOM 222 CD LYS A 14 -19.619 -2.540 -15.074 1.00 0.00 C ATOM 223 CE LYS A 14 -20.418 -3.244 -16.161 1.00 0.00 C ATOM 224 NZ LYS A 14 -20.718 -4.656 -15.798 1.00 0.00 N ATOM 0 H LYS A 14 -18.930 0.204 -12.511 1.00 0.00 H new ATOM 0 HA LYS A 14 -20.872 1.522 -14.289 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.854 -1.336 -13.218 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -21.887 -0.704 -14.484 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -20.208 -0.736 -16.079 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.927 -0.514 -14.904 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -18.557 -2.738 -15.215 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -19.892 -2.945 -14.099 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -21.351 -2.707 -16.333 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -19.859 -3.220 -17.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.263 -5.103 -16.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.828 -5.175 -15.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -21.273 -4.678 -14.919 1.00 0.00 H new ATOM 238 N TYR A 15 -21.257 0.960 -11.126 1.00 0.00 N ATOM 239 CA TYR A 15 -22.174 1.178 -10.006 1.00 0.00 C ATOM 240 C TYR A 15 -21.486 1.775 -8.774 1.00 0.00 C ATOM 241 O TYR A 15 -22.039 1.735 -7.674 1.00 0.00 O ATOM 242 CB TYR A 15 -22.828 -0.150 -9.629 1.00 0.00 C ATOM 243 CG TYR A 15 -23.376 -0.910 -10.816 1.00 0.00 C ATOM 244 CD1 TYR A 15 -24.666 -0.676 -11.276 1.00 0.00 C ATOM 245 CD2 TYR A 15 -22.606 -1.858 -11.479 1.00 0.00 C ATOM 246 CE1 TYR A 15 -25.175 -1.365 -12.361 1.00 0.00 C ATOM 247 CE2 TYR A 15 -23.106 -2.551 -12.565 1.00 0.00 C ATOM 248 CZ TYR A 15 -24.391 -2.302 -13.001 1.00 0.00 C ATOM 249 OH TYR A 15 -24.892 -2.990 -14.081 1.00 0.00 O ATOM 0 H TYR A 15 -20.297 0.740 -10.860 1.00 0.00 H new ATOM 0 HA TYR A 15 -22.919 1.902 -10.335 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -22.096 -0.773 -9.115 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -23.637 0.040 -8.924 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -25.282 0.057 -10.777 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -21.600 -2.056 -11.140 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -26.180 -1.171 -12.705 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -22.494 -3.284 -13.070 1.00 0.00 H new ATOM 0 HH TYR A 15 -24.213 -3.611 -14.417 1.00 0.00 H new ATOM 259 N HIS A 16 -20.281 2.321 -8.953 1.00 0.00 N ATOM 260 CA HIS A 16 -19.509 2.920 -7.853 1.00 0.00 C ATOM 261 C HIS A 16 -19.567 2.076 -6.578 1.00 0.00 C ATOM 262 O HIS A 16 -19.655 2.609 -5.470 1.00 0.00 O ATOM 263 CB HIS A 16 -19.982 4.347 -7.561 1.00 0.00 C ATOM 264 CG HIS A 16 -19.750 5.308 -8.691 1.00 0.00 C ATOM 265 ND1 HIS A 16 -18.538 5.942 -8.879 1.00 0.00 N ATOM 266 CD2 HIS A 16 -20.608 5.714 -9.660 1.00 0.00 C ATOM 267 CE1 HIS A 16 -18.688 6.709 -9.942 1.00 0.00 C ATOM 268 NE2 HIS A 16 -19.926 6.606 -10.449 1.00 0.00 N ATOM 0 H HIS A 16 -19.812 2.362 -9.858 1.00 0.00 H new ATOM 0 HA HIS A 16 -18.470 2.952 -8.182 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.047 4.326 -7.328 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -19.468 4.715 -6.673 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -21.632 5.396 -9.786 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -17.913 7.340 -10.352 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -20.291 7.097 -11.265 1.00 0.00 H new ATOM 276 N SER A 17 -19.515 0.759 -6.744 1.00 0.00 N ATOM 277 CA SER A 17 -19.560 -0.161 -5.610 1.00 0.00 C ATOM 278 C SER A 17 -18.417 0.113 -4.638 1.00 0.00 C ATOM 279 O SER A 17 -17.270 0.288 -5.047 1.00 0.00 O ATOM 280 CB SER A 17 -19.494 -1.608 -6.102 1.00 0.00 C ATOM 281 OG SER A 17 -20.552 -1.890 -7.001 1.00 0.00 O ATOM 0 H SER A 17 -19.442 0.303 -7.653 1.00 0.00 H new ATOM 0 HA SER A 17 -20.501 -0.005 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.538 -1.785 -6.594 1.00 0.00 H new ATOM 0 HB3 SER A 17 -19.545 -2.287 -5.251 1.00 0.00 H new ATOM 0 HG SER A 17 -20.486 -2.820 -7.302 1.00 0.00 H new ATOM 287 N ASN A 18 -18.740 0.152 -3.349 1.00 0.00 N ATOM 288 CA ASN A 18 -17.741 0.409 -2.318 1.00 0.00 C ATOM 289 C ASN A 18 -16.759 -0.754 -2.208 1.00 0.00 C ATOM 290 O ASN A 18 -16.867 -1.742 -2.934 1.00 0.00 O ATOM 291 CB ASN A 18 -18.421 0.651 -0.969 1.00 0.00 C ATOM 292 CG ASN A 18 -19.266 1.910 -0.968 1.00 0.00 C ATOM 293 OD1 ASN A 18 -19.552 2.479 -2.021 1.00 0.00 O ATOM 294 ND2 ASN A 18 -19.671 2.349 0.217 1.00 0.00 N ATOM 0 H ASN A 18 -19.685 0.009 -2.994 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.184 1.302 -2.601 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.049 -0.205 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -17.662 0.725 -0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.244 3.191 0.281 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -19.410 1.845 1.064 1.00 0.00 H new ATOM 301 N VAL A 19 -15.802 -0.627 -1.296 1.00 0.00 N ATOM 302 CA VAL A 19 -14.797 -1.665 -1.090 1.00 0.00 C ATOM 303 C VAL A 19 -15.435 -2.974 -0.637 1.00 0.00 C ATOM 304 O VAL A 19 -15.220 -4.022 -1.247 1.00 0.00 O ATOM 305 CB VAL A 19 -13.746 -1.228 -0.050 1.00 0.00 C ATOM 306 CG1 VAL A 19 -12.619 -2.246 0.039 1.00 0.00 C ATOM 307 CG2 VAL A 19 -13.203 0.150 -0.393 1.00 0.00 C ATOM 0 H VAL A 19 -15.700 0.185 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.305 -1.823 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.229 -1.174 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.889 -1.917 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.025 -3.213 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.134 -2.338 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.462 0.445 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.737 0.123 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.020 0.872 -0.397 1.00 0.00 H new ATOM 317 N LYS A 20 -16.221 -2.910 0.436 1.00 0.00 N ATOM 318 CA LYS A 20 -16.890 -4.098 0.969 1.00 0.00 C ATOM 319 C LYS A 20 -17.747 -4.767 -0.104 1.00 0.00 C ATOM 320 O LYS A 20 -17.905 -5.988 -0.114 1.00 0.00 O ATOM 321 CB LYS A 20 -17.746 -3.724 2.188 1.00 0.00 C ATOM 322 CG LYS A 20 -18.624 -4.856 2.719 1.00 0.00 C ATOM 323 CD LYS A 20 -17.832 -6.141 2.938 1.00 0.00 C ATOM 324 CE LYS A 20 -17.041 -6.095 4.235 1.00 0.00 C ATOM 325 NZ LYS A 20 -16.498 -7.434 4.606 1.00 0.00 N ATOM 0 H LYS A 20 -16.411 -2.051 0.953 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.127 -4.810 1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.087 -3.386 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.384 -2.881 1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.082 -4.548 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.435 -5.046 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.514 -6.991 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.151 -6.297 2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.219 -5.386 4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.681 -5.728 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.966 -7.358 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.283 -8.105 4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.866 -7.773 3.853 1.00 0.00 H new ATOM 339 N GLU A 21 -18.296 -3.961 -1.007 1.00 0.00 N ATOM 340 CA GLU A 21 -19.129 -4.483 -2.081 1.00 0.00 C ATOM 341 C GLU A 21 -18.281 -5.239 -3.095 1.00 0.00 C ATOM 342 O GLU A 21 -18.593 -6.371 -3.463 1.00 0.00 O ATOM 343 CB GLU A 21 -19.882 -3.345 -2.774 1.00 0.00 C ATOM 344 CG GLU A 21 -20.910 -3.822 -3.785 1.00 0.00 C ATOM 345 CD GLU A 21 -22.001 -2.799 -4.035 1.00 0.00 C ATOM 346 OE1 GLU A 21 -21.727 -1.590 -3.883 1.00 0.00 O ATOM 347 OE2 GLU A 21 -23.128 -3.208 -4.382 1.00 0.00 O ATOM 0 H GLU A 21 -18.179 -2.948 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.854 -5.172 -1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.382 -2.739 -2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.163 -2.698 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.410 -4.051 -4.726 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.361 -4.749 -3.430 1.00 0.00 H new ATOM 354 N LEU A 22 -17.198 -4.608 -3.539 1.00 0.00 N ATOM 355 CA LEU A 22 -16.298 -5.224 -4.504 1.00 0.00 C ATOM 356 C LEU A 22 -15.584 -6.421 -3.886 1.00 0.00 C ATOM 357 O LEU A 22 -15.407 -7.451 -4.532 1.00 0.00 O ATOM 358 CB LEU A 22 -15.271 -4.200 -5.002 1.00 0.00 C ATOM 359 CG LEU A 22 -15.853 -3.056 -5.831 1.00 0.00 C ATOM 360 CD1 LEU A 22 -14.833 -1.938 -5.988 1.00 0.00 C ATOM 361 CD2 LEU A 22 -16.305 -3.563 -7.194 1.00 0.00 C ATOM 0 H LEU A 22 -16.924 -3.671 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 22 -16.890 -5.572 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.753 -3.778 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.523 -4.719 -5.601 1.00 0.00 H new ATOM 0 HG LEU A 22 -16.721 -2.657 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -15.265 -1.132 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -14.556 -1.557 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.946 -2.323 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.717 -2.736 -7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.453 -3.988 -7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -17.069 -4.329 -7.062 1.00 0.00 H new ATOM 373 N SER A 23 -15.180 -6.275 -2.629 1.00 0.00 N ATOM 374 CA SER A 23 -14.490 -7.346 -1.920 1.00 0.00 C ATOM 375 C SER A 23 -15.426 -8.521 -1.662 1.00 0.00 C ATOM 376 O SER A 23 -15.027 -9.682 -1.768 1.00 0.00 O ATOM 377 CB SER A 23 -13.929 -6.826 -0.594 1.00 0.00 C ATOM 378 OG SER A 23 -12.856 -5.926 -0.811 1.00 0.00 O ATOM 0 H SER A 23 -15.318 -5.426 -2.080 1.00 0.00 H new ATOM 0 HA SER A 23 -13.668 -7.692 -2.546 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.719 -6.327 -0.033 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.587 -7.664 0.013 1.00 0.00 H new ATOM 0 HG SER A 23 -12.069 -6.423 -1.119 1.00 0.00 H new ATOM 384 N HIS A 24 -16.673 -8.213 -1.320 1.00 0.00 N ATOM 385 CA HIS A 24 -17.667 -9.242 -1.041 1.00 0.00 C ATOM 386 C HIS A 24 -18.256 -9.811 -2.329 1.00 0.00 C ATOM 387 O HIS A 24 -18.669 -10.970 -2.376 1.00 0.00 O ATOM 388 CB HIS A 24 -18.785 -8.671 -0.167 1.00 0.00 C ATOM 389 CG HIS A 24 -19.705 -9.714 0.386 1.00 0.00 C ATOM 390 ND1 HIS A 24 -20.931 -9.384 0.909 1.00 0.00 N ATOM 391 CD2 HIS A 24 -19.530 -11.054 0.477 1.00 0.00 C ATOM 392 CE1 HIS A 24 -21.474 -10.523 1.302 1.00 0.00 C ATOM 393 NE2 HIS A 24 -20.662 -11.562 1.060 1.00 0.00 N ATOM 0 H HIS A 24 -17.019 -7.258 -1.229 1.00 0.00 H new ATOM 0 HA HIS A 24 -17.168 -10.052 -0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.341 -8.115 0.659 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -19.366 -7.960 -0.754 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -18.665 -11.614 0.153 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -22.448 -10.606 1.760 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -20.850 -12.542 1.269 1.00 0.00 H new ATOM 401 N LYS A 25 -18.299 -8.986 -3.373 1.00 0.00 N ATOM 402 CA LYS A 25 -18.846 -9.410 -4.658 1.00 0.00 C ATOM 403 C LYS A 25 -17.856 -10.280 -5.427 1.00 0.00 C ATOM 404 O LYS A 25 -18.245 -11.238 -6.091 1.00 0.00 O ATOM 405 CB LYS A 25 -19.225 -8.189 -5.499 1.00 0.00 C ATOM 406 CG LYS A 25 -19.978 -8.537 -6.775 1.00 0.00 C ATOM 407 CD LYS A 25 -19.031 -8.742 -7.946 1.00 0.00 C ATOM 408 CE LYS A 25 -19.520 -9.844 -8.878 1.00 0.00 C ATOM 409 NZ LYS A 25 -18.759 -11.106 -8.687 1.00 0.00 N ATOM 0 H LYS A 25 -17.963 -8.023 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.737 -10.005 -4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.839 -7.520 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.319 -7.642 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.563 -9.443 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.682 -7.739 -7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.934 -7.810 -8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.039 -8.995 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.579 -10.028 -8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.424 -9.514 -9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -19.195 -11.863 -9.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.775 -10.968 -8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -18.773 -11.371 -7.681 1.00 0.00 H new ATOM 423 N PHE A 26 -16.575 -9.934 -5.337 1.00 0.00 N ATOM 424 CA PHE A 26 -15.537 -10.684 -6.036 1.00 0.00 C ATOM 425 C PHE A 26 -14.757 -11.577 -5.075 1.00 0.00 C ATOM 426 O PHE A 26 -14.578 -12.768 -5.330 1.00 0.00 O ATOM 427 CB PHE A 26 -14.588 -9.721 -6.752 1.00 0.00 C ATOM 428 CG PHE A 26 -15.234 -9.004 -7.901 1.00 0.00 C ATOM 429 CD1 PHE A 26 -15.883 -7.795 -7.702 1.00 0.00 C ATOM 430 CD2 PHE A 26 -15.198 -9.538 -9.179 1.00 0.00 C ATOM 431 CE1 PHE A 26 -16.485 -7.134 -8.756 1.00 0.00 C ATOM 432 CE2 PHE A 26 -15.800 -8.884 -10.235 1.00 0.00 C ATOM 433 CZ PHE A 26 -16.443 -7.677 -10.024 1.00 0.00 C ATOM 0 H PHE A 26 -16.232 -9.144 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.020 -11.326 -6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.216 -8.988 -6.037 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.724 -10.276 -7.117 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.919 -7.365 -6.712 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.693 -10.477 -9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.988 -6.193 -8.587 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.769 -9.314 -11.225 1.00 0.00 H new ATOM 0 HZ PHE A 26 -16.911 -7.161 -10.850 1.00 0.00 H new ATOM 443 N GLY A 27 -14.297 -10.998 -3.970 1.00 0.00 N ATOM 444 CA GLY A 27 -13.545 -11.760 -2.991 1.00 0.00 C ATOM 445 C GLY A 27 -12.119 -11.264 -2.843 1.00 0.00 C ATOM 446 O GLY A 27 -11.192 -12.061 -2.693 1.00 0.00 O ATOM 0 H GLY A 27 -14.432 -10.015 -3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.048 -11.703 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.533 -12.810 -3.283 1.00 0.00 H new ATOM 450 N ILE A 28 -11.945 -9.948 -2.884 1.00 0.00 N ATOM 451 CA ILE A 28 -10.623 -9.347 -2.752 1.00 0.00 C ATOM 452 C ILE A 28 -10.498 -8.573 -1.439 1.00 0.00 C ATOM 453 O ILE A 28 -11.474 -7.992 -0.964 1.00 0.00 O ATOM 454 CB ILE A 28 -10.320 -8.398 -3.927 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.480 -7.426 -4.142 1.00 0.00 C ATOM 456 CG2 ILE A 28 -10.049 -9.196 -5.195 1.00 0.00 C ATOM 457 CD1 ILE A 28 -11.170 -6.321 -5.127 1.00 0.00 C ATOM 0 H ILE A 28 -12.703 -9.277 -3.008 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.901 -10.163 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.428 -7.820 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.349 -7.982 -4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.753 -6.982 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.836 -8.512 -6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.192 -9.851 -5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.924 -9.797 -5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.039 -5.670 -5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.321 -5.740 -4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.926 -6.756 -6.096 1.00 0.00 H new ATOM 469 N PRO A 29 -9.296 -8.553 -0.828 1.00 0.00 N ATOM 470 CA PRO A 29 -9.068 -7.841 0.436 1.00 0.00 C ATOM 471 C PRO A 29 -9.462 -6.370 0.354 1.00 0.00 C ATOM 472 O PRO A 29 -9.552 -5.803 -0.734 1.00 0.00 O ATOM 473 CB PRO A 29 -7.558 -7.976 0.662 1.00 0.00 C ATOM 474 CG PRO A 29 -7.163 -9.183 -0.117 1.00 0.00 C ATOM 475 CD PRO A 29 -8.068 -9.216 -1.313 1.00 0.00 C ATOM 0 HA PRO A 29 -9.671 -8.254 1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.025 -7.090 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.325 -8.095 1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.117 -9.127 -0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.274 -10.087 0.481 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.633 -8.687 -2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.265 -10.237 -1.641 1.00 0.00 H new ATOM 483 N ASN A 30 -9.694 -5.758 1.513 1.00 0.00 N ATOM 484 CA ASN A 30 -10.075 -4.351 1.571 1.00 0.00 C ATOM 485 C ASN A 30 -9.004 -3.468 0.941 1.00 0.00 C ATOM 486 O ASN A 30 -9.307 -2.429 0.353 1.00 0.00 O ATOM 487 CB ASN A 30 -10.314 -3.925 3.021 1.00 0.00 C ATOM 488 CG ASN A 30 -11.618 -4.464 3.576 1.00 0.00 C ATOM 489 OD1 ASN A 30 -11.730 -5.648 3.896 1.00 0.00 O ATOM 490 ND2 ASN A 30 -12.615 -3.595 3.693 1.00 0.00 N ATOM 0 H ASN A 30 -9.625 -6.214 2.423 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.999 -4.229 1.005 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.487 -4.274 3.640 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.320 -2.837 3.081 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.517 -3.900 4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.479 -2.623 3.416 1.00 0.00 H new ATOM 497 N LEU A 31 -7.749 -3.888 1.067 1.00 0.00 N ATOM 498 CA LEU A 31 -6.633 -3.136 0.508 1.00 0.00 C ATOM 499 C LEU A 31 -6.731 -3.073 -1.012 1.00 0.00 C ATOM 500 O LEU A 31 -6.589 -2.005 -1.608 1.00 0.00 O ATOM 501 CB LEU A 31 -5.304 -3.769 0.919 1.00 0.00 C ATOM 502 CG LEU A 31 -4.132 -2.790 1.035 1.00 0.00 C ATOM 503 CD1 LEU A 31 -3.175 -3.232 2.135 1.00 0.00 C ATOM 504 CD2 LEU A 31 -3.408 -2.664 -0.299 1.00 0.00 C ATOM 0 H LEU A 31 -7.480 -4.745 1.551 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.678 -2.121 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.438 -4.268 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.045 -4.539 0.192 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.524 -1.808 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.348 -2.525 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.705 -3.264 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.786 -4.223 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.578 -1.964 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.026 -3.640 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.101 -2.298 -1.056 1.00 0.00 H new ATOM 516 N VAL A 32 -6.978 -4.220 -1.632 1.00 0.00 N ATOM 517 CA VAL A 32 -7.097 -4.292 -3.082 1.00 0.00 C ATOM 518 C VAL A 32 -8.304 -3.497 -3.567 1.00 0.00 C ATOM 519 O VAL A 32 -8.196 -2.686 -4.487 1.00 0.00 O ATOM 520 CB VAL A 32 -7.228 -5.749 -3.570 1.00 0.00 C ATOM 521 CG1 VAL A 32 -7.088 -5.815 -5.084 1.00 0.00 C ATOM 522 CG2 VAL A 32 -6.197 -6.637 -2.893 1.00 0.00 C ATOM 0 H VAL A 32 -7.100 -5.112 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.185 -3.863 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.218 -6.116 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.183 -6.850 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.869 -5.213 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.111 -5.429 -5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.307 -7.661 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.196 -6.276 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.348 -6.612 -1.814 1.00 0.00 H new ATOM 532 N ALA A 33 -9.453 -3.736 -2.943 1.00 0.00 N ATOM 533 CA ALA A 33 -10.680 -3.041 -3.311 1.00 0.00 C ATOM 534 C ALA A 33 -10.554 -1.542 -3.058 1.00 0.00 C ATOM 535 O ALA A 33 -11.100 -0.729 -3.802 1.00 0.00 O ATOM 536 CB ALA A 33 -11.861 -3.609 -2.541 1.00 0.00 C ATOM 0 H ALA A 33 -9.559 -4.405 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.850 -3.193 -4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.770 -3.080 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.970 -4.669 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.691 -3.487 -1.471 1.00 0.00 H new ATOM 542 N ARG A 34 -9.827 -1.184 -2.004 1.00 0.00 N ATOM 543 CA ARG A 34 -9.627 0.218 -1.658 1.00 0.00 C ATOM 544 C ARG A 34 -8.908 0.952 -2.784 1.00 0.00 C ATOM 545 O ARG A 34 -9.168 2.130 -3.036 1.00 0.00 O ATOM 546 CB ARG A 34 -8.824 0.336 -0.361 1.00 0.00 C ATOM 547 CG ARG A 34 -9.684 0.312 0.893 1.00 0.00 C ATOM 548 CD ARG A 34 -8.863 -0.036 2.124 1.00 0.00 C ATOM 549 NE ARG A 34 -9.569 0.290 3.363 1.00 0.00 N ATOM 550 CZ ARG A 34 -9.243 -0.200 4.561 1.00 0.00 C ATOM 551 NH1 ARG A 34 -8.226 -1.043 4.692 1.00 0.00 N ATOM 552 NH2 ARG A 34 -9.941 0.155 5.630 1.00 0.00 N ATOM 0 H ARG A 34 -9.368 -1.844 -1.376 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.605 0.677 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.105 -0.481 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.252 1.263 -0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.155 1.285 1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.486 -0.416 0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.624 -1.099 2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.917 0.504 2.093 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.360 0.932 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.686 -1.322 3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.985 -1.412 5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.725 0.801 5.536 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.694 -0.218 6.547 1.00 0.00 H new ATOM 566 N GLN A 35 -8.008 0.247 -3.461 1.00 0.00 N ATOM 567 CA GLN A 35 -7.251 0.830 -4.565 1.00 0.00 C ATOM 568 C GLN A 35 -8.179 1.195 -5.719 1.00 0.00 C ATOM 569 O GLN A 35 -7.982 2.207 -6.392 1.00 0.00 O ATOM 570 CB GLN A 35 -6.176 -0.146 -5.044 1.00 0.00 C ATOM 571 CG GLN A 35 -4.944 -0.175 -4.154 1.00 0.00 C ATOM 572 CD GLN A 35 -4.341 1.200 -3.944 1.00 0.00 C ATOM 573 OE1 GLN A 35 -4.315 2.025 -4.857 1.00 0.00 O ATOM 574 NE2 GLN A 35 -3.853 1.453 -2.736 1.00 0.00 N ATOM 0 H GLN A 35 -7.784 -0.729 -3.265 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.768 1.739 -4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.602 -1.148 -5.094 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.877 0.124 -6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.209 -0.602 -3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.196 -0.831 -4.598 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.896 0.739 -2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.435 2.361 -2.535 1.00 0.00 H new ATOM 583 N ILE A 36 -9.195 0.367 -5.937 1.00 0.00 N ATOM 584 CA ILE A 36 -10.158 0.603 -7.005 1.00 0.00 C ATOM 585 C ILE A 36 -10.960 1.871 -6.735 1.00 0.00 C ATOM 586 O ILE A 36 -11.009 2.780 -7.566 1.00 0.00 O ATOM 587 CB ILE A 36 -11.122 -0.592 -7.164 1.00 0.00 C ATOM 588 CG1 ILE A 36 -10.326 -1.888 -7.336 1.00 0.00 C ATOM 589 CG2 ILE A 36 -12.060 -0.374 -8.343 1.00 0.00 C ATOM 590 CD1 ILE A 36 -11.193 -3.115 -7.518 1.00 0.00 C ATOM 0 H ILE A 36 -9.372 -0.474 -5.388 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.596 0.723 -7.931 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.730 -0.673 -6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.668 -1.788 -8.199 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.688 -2.031 -6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.731 -1.228 -8.437 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.645 0.531 -8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.476 -0.269 -9.258 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.559 -3.994 -7.634 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.833 -3.241 -6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.812 -2.994 -8.407 1.00 0.00 H new ATOM 602 N VAL A 37 -11.584 1.931 -5.562 1.00 0.00 N ATOM 603 CA VAL A 37 -12.377 3.092 -5.177 1.00 0.00 C ATOM 604 C VAL A 37 -11.506 4.343 -5.116 1.00 0.00 C ATOM 605 O VAL A 37 -11.926 5.426 -5.519 1.00 0.00 O ATOM 606 CB VAL A 37 -13.060 2.876 -3.813 1.00 0.00 C ATOM 607 CG1 VAL A 37 -13.975 4.045 -3.476 1.00 0.00 C ATOM 608 CG2 VAL A 37 -13.833 1.565 -3.804 1.00 0.00 C ATOM 0 H VAL A 37 -11.555 1.189 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.148 3.226 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.286 2.822 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.447 3.871 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.391 4.964 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.744 4.138 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.309 1.430 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.596 1.587 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.148 0.738 -3.991 1.00 0.00 H new ATOM 618 N ASN A 38 -10.288 4.183 -4.608 1.00 0.00 N ATOM 619 CA ASN A 38 -9.352 5.294 -4.494 1.00 0.00 C ATOM 620 C ASN A 38 -9.063 5.900 -5.864 1.00 0.00 C ATOM 621 O ASN A 38 -8.812 7.099 -5.986 1.00 0.00 O ATOM 622 CB ASN A 38 -8.049 4.829 -3.845 1.00 0.00 C ATOM 623 CG ASN A 38 -8.130 4.810 -2.332 1.00 0.00 C ATOM 624 OD1 ASN A 38 -8.645 5.742 -1.714 1.00 0.00 O ATOM 625 ND2 ASN A 38 -7.618 3.745 -1.724 1.00 0.00 N ATOM 0 H ASN A 38 -9.926 3.292 -4.268 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.808 6.058 -3.865 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.804 3.830 -4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.237 5.488 -4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.643 3.678 -0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.200 2.995 -2.275 1.00 0.00 H new ATOM 632 N SER A 39 -9.100 5.062 -6.895 1.00 0.00 N ATOM 633 CA SER A 39 -8.844 5.516 -8.256 1.00 0.00 C ATOM 634 C SER A 39 -9.989 6.393 -8.755 1.00 0.00 C ATOM 635 O SER A 39 -9.774 7.336 -9.517 1.00 0.00 O ATOM 636 CB SER A 39 -8.658 4.317 -9.187 1.00 0.00 C ATOM 637 OG SER A 39 -7.436 3.652 -8.926 1.00 0.00 O ATOM 0 H SER A 39 -9.305 4.066 -6.813 1.00 0.00 H new ATOM 0 HA SER A 39 -7.929 6.108 -8.254 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.488 3.622 -9.060 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.679 4.652 -10.224 1.00 0.00 H new ATOM 0 HG SER A 39 -7.514 3.139 -8.095 1.00 0.00 H new ATOM 643 N CYS A 40 -11.202 6.076 -8.317 1.00 0.00 N ATOM 644 CA CYS A 40 -12.381 6.836 -8.717 1.00 0.00 C ATOM 645 C CYS A 40 -12.319 8.260 -8.172 1.00 0.00 C ATOM 646 O CYS A 40 -12.342 8.471 -6.960 1.00 0.00 O ATOM 647 CB CYS A 40 -13.653 6.145 -8.225 1.00 0.00 C ATOM 648 SG CYS A 40 -15.179 6.968 -8.741 1.00 0.00 S ATOM 0 H CYS A 40 -11.395 5.299 -7.685 1.00 0.00 H new ATOM 0 HA CYS A 40 -12.400 6.881 -9.806 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -13.663 5.119 -8.592 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -13.629 6.094 -7.136 1.00 0.00 H new ATOM 653 N ALA A 41 -12.237 9.230 -9.075 1.00 0.00 N ATOM 654 CA ALA A 41 -12.169 10.634 -8.685 1.00 0.00 C ATOM 655 C ALA A 41 -13.514 11.132 -8.159 1.00 0.00 C ATOM 656 O ALA A 41 -13.567 12.043 -7.334 1.00 0.00 O ATOM 657 CB ALA A 41 -11.709 11.484 -9.857 1.00 0.00 C ATOM 0 H ALA A 41 -12.216 9.071 -10.082 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.443 10.724 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.663 12.529 -9.552 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.721 11.156 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.413 11.378 -10.682 1.00 0.00 H new ATOM 663 N GLN A 42 -14.596 10.533 -8.644 1.00 0.00 N ATOM 664 CA GLN A 42 -15.940 10.919 -8.222 1.00 0.00 C ATOM 665 C GLN A 42 -16.243 10.434 -6.805 1.00 0.00 C ATOM 666 O GLN A 42 -17.077 11.013 -6.108 1.00 0.00 O ATOM 667 CB GLN A 42 -16.982 10.360 -9.194 1.00 0.00 C ATOM 668 CG GLN A 42 -16.858 10.912 -10.604 1.00 0.00 C ATOM 669 CD GLN A 42 -17.772 12.095 -10.851 1.00 0.00 C ATOM 670 OE1 GLN A 42 -18.308 12.688 -9.913 1.00 0.00 O ATOM 671 NE2 GLN A 42 -17.957 12.447 -12.118 1.00 0.00 N ATOM 0 H GLN A 42 -14.570 9.778 -9.330 1.00 0.00 H new ATOM 0 HA GLN A 42 -15.987 12.008 -8.226 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -16.889 9.275 -9.228 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -17.978 10.582 -8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -15.826 11.212 -10.783 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -17.089 10.124 -11.320 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -17.494 11.928 -12.864 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -18.562 13.236 -12.345 1.00 0.00 H new ATOM 680 N CYS A 43 -15.567 9.370 -6.382 1.00 0.00 N ATOM 681 CA CYS A 43 -15.772 8.810 -5.052 1.00 0.00 C ATOM 682 C CYS A 43 -14.725 9.323 -4.066 1.00 0.00 C ATOM 683 O CYS A 43 -15.002 9.472 -2.878 1.00 0.00 O ATOM 684 CB CYS A 43 -15.733 7.282 -5.106 1.00 0.00 C ATOM 685 SG CYS A 43 -17.282 6.524 -5.646 1.00 0.00 S ATOM 0 H CYS A 43 -14.871 8.878 -6.943 1.00 0.00 H new ATOM 0 HA CYS A 43 -16.754 9.131 -4.704 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -14.935 6.973 -5.781 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -15.479 6.900 -4.117 1.00 0.00 H new ATOM 690 N GLN A 44 -13.524 9.588 -4.567 1.00 0.00 N ATOM 691 CA GLN A 44 -12.443 10.082 -3.724 1.00 0.00 C ATOM 692 C GLN A 44 -12.773 11.464 -3.170 1.00 0.00 C ATOM 693 O GLN A 44 -12.725 11.685 -1.959 1.00 0.00 O ATOM 694 CB GLN A 44 -11.131 10.122 -4.514 1.00 0.00 C ATOM 695 CG GLN A 44 -10.184 8.986 -4.169 1.00 0.00 C ATOM 696 CD GLN A 44 -8.727 9.371 -4.338 1.00 0.00 C ATOM 697 OE1 GLN A 44 -7.953 9.353 -3.382 1.00 0.00 O ATOM 698 NE2 GLN A 44 -8.347 9.725 -5.560 1.00 0.00 N ATOM 0 H GLN A 44 -13.275 9.469 -5.549 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.326 9.399 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.356 10.086 -5.580 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.631 11.072 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -10.357 8.674 -3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.405 8.128 -4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.023 9.726 -6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.379 9.996 -5.735 1.00 0.00 H new ATOM 707 N GLN A 45 -13.111 12.391 -4.059 1.00 0.00 N ATOM 708 CA GLN A 45 -13.452 13.749 -3.653 1.00 0.00 C ATOM 709 C GLN A 45 -14.856 13.804 -3.061 1.00 0.00 C ATOM 710 O GLN A 45 -15.716 12.992 -3.402 1.00 0.00 O ATOM 711 CB GLN A 45 -13.351 14.703 -4.845 1.00 0.00 C ATOM 712 CG GLN A 45 -12.963 16.120 -4.457 1.00 0.00 C ATOM 713 CD GLN A 45 -12.310 16.878 -5.595 1.00 0.00 C ATOM 714 OE1 GLN A 45 -12.989 17.449 -6.448 1.00 0.00 O ATOM 715 NE2 GLN A 45 -10.981 16.885 -5.616 1.00 0.00 N ATOM 0 H GLN A 45 -13.156 12.227 -5.065 1.00 0.00 H new ATOM 0 HA GLN A 45 -12.742 14.060 -2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.616 14.314 -5.550 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.309 14.726 -5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.852 16.659 -4.129 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.280 16.086 -3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.457 16.398 -4.889 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.485 17.377 -6.359 1.00 0.00 H new ATOM 724 N LYS A 46 -15.080 14.766 -2.170 1.00 0.00 N ATOM 725 CA LYS A 46 -16.380 14.926 -1.531 1.00 0.00 C ATOM 726 C LYS A 46 -17.090 16.174 -2.044 1.00 0.00 C ATOM 727 O LYS A 46 -16.729 16.650 -3.141 1.00 0.00 O ATOM 728 CB LYS A 46 -16.217 15.007 -0.012 1.00 0.00 C ATOM 729 CG LYS A 46 -15.480 13.814 0.584 1.00 0.00 C ATOM 730 CD LYS A 46 -16.294 13.128 1.670 1.00 0.00 C ATOM 731 CE LYS A 46 -15.508 12.005 2.328 1.00 0.00 C ATOM 732 NZ LYS A 46 -16.282 11.348 3.417 1.00 0.00 N ATOM 733 OXT LYS A 46 -18.001 16.666 -1.348 1.00 0.00 O ATOM 0 H LYS A 46 -14.378 15.445 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 46 -16.988 14.056 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.677 15.920 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -17.202 15.082 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.251 13.098 -0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -14.528 14.146 0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.587 13.859 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.212 12.728 1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.237 11.263 1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.577 12.402 2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -15.711 10.588 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.519 12.050 4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -17.158 10.946 3.026 1.00 0.00 H new TER 747 LYS A 46 ATOM 748 N PHE B 1 -2.088 -12.272 2.062 1.00 0.00 N ATOM 749 CA PHE B 1 -1.926 -10.981 1.345 1.00 0.00 C ATOM 750 C PHE B 1 -1.049 -10.016 2.144 1.00 0.00 C ATOM 751 O PHE B 1 0.148 -9.901 1.885 1.00 0.00 O ATOM 752 CB PHE B 1 -3.319 -10.392 1.088 1.00 0.00 C ATOM 753 CG PHE B 1 -3.304 -9.071 0.370 1.00 0.00 C ATOM 754 CD1 PHE B 1 -3.343 -9.022 -1.014 1.00 0.00 C ATOM 755 CD2 PHE B 1 -3.256 -7.881 1.077 1.00 0.00 C ATOM 756 CE1 PHE B 1 -3.335 -7.812 -1.680 1.00 0.00 C ATOM 757 CE2 PHE B 1 -3.247 -6.667 0.418 1.00 0.00 C ATOM 758 CZ PHE B 1 -3.287 -6.632 -0.962 1.00 0.00 C ATOM 0 H1 PHE B 1 -2.687 -12.909 1.499 1.00 0.00 H new ATOM 0 H2 PHE B 1 -1.155 -12.710 2.204 1.00 0.00 H new ATOM 0 H3 PHE B 1 -2.535 -12.102 2.985 1.00 0.00 H new ATOM 0 HA PHE B 1 -1.422 -11.147 0.393 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -3.901 -11.105 0.503 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -3.831 -10.269 2.042 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -3.380 -9.942 -1.579 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -3.225 -7.902 2.156 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -3.366 -7.788 -2.759 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -3.209 -5.746 0.981 1.00 0.00 H new ATOM 0 HZ PHE B 1 -3.281 -5.684 -1.479 1.00 0.00 H new ATOM 770 N LEU B 2 -1.640 -9.332 3.120 1.00 0.00 N ATOM 771 CA LEU B 2 -0.888 -8.390 3.943 1.00 0.00 C ATOM 772 C LEU B 2 0.226 -9.089 4.726 1.00 0.00 C ATOM 773 O LEU B 2 1.154 -8.438 5.203 1.00 0.00 O ATOM 774 CB LEU B 2 -1.808 -7.630 4.918 1.00 0.00 C ATOM 775 CG LEU B 2 -2.936 -8.426 5.607 1.00 0.00 C ATOM 776 CD1 LEU B 2 -4.205 -8.410 4.766 1.00 0.00 C ATOM 777 CD2 LEU B 2 -2.513 -9.859 5.920 1.00 0.00 C ATOM 0 H LEU B 2 -2.628 -9.411 3.359 1.00 0.00 H new ATOM 0 HA LEU B 2 -0.435 -7.672 3.259 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -1.183 -7.192 5.696 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -2.265 -6.804 4.373 1.00 0.00 H new ATOM 0 HG LEU B 2 -3.145 -7.933 6.556 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -4.985 -8.978 5.273 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -4.537 -7.381 4.628 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -4.003 -8.860 3.794 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -3.336 -10.384 6.404 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -2.251 -10.371 4.994 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -1.649 -9.846 6.585 1.00 0.00 H new ATOM 789 N GLU B 3 0.131 -10.407 4.860 1.00 0.00 N ATOM 790 CA GLU B 3 1.131 -11.176 5.590 1.00 0.00 C ATOM 791 C GLU B 3 2.519 -10.997 4.979 1.00 0.00 C ATOM 792 O GLU B 3 3.480 -10.679 5.678 1.00 0.00 O ATOM 793 CB GLU B 3 0.753 -12.658 5.596 1.00 0.00 C ATOM 794 CG GLU B 3 -0.400 -12.987 6.531 1.00 0.00 C ATOM 795 CD GLU B 3 -0.996 -14.355 6.260 1.00 0.00 C ATOM 796 OE1 GLU B 3 -1.010 -14.773 5.084 1.00 0.00 O ATOM 797 OE2 GLU B 3 -1.452 -15.007 7.224 1.00 0.00 O ATOM 0 H GLU B 3 -0.629 -10.965 4.472 1.00 0.00 H new ATOM 0 HA GLU B 3 1.159 -10.806 6.615 1.00 0.00 H new ATOM 0 HB2 GLU B 3 0.487 -12.961 4.583 1.00 0.00 H new ATOM 0 HB3 GLU B 3 1.624 -13.246 5.886 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -0.050 -12.945 7.563 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -1.176 -12.229 6.426 1.00 0.00 H new ATOM 804 N LYS B 4 2.617 -11.211 3.671 1.00 0.00 N ATOM 805 CA LYS B 4 3.888 -11.081 2.965 1.00 0.00 C ATOM 806 C LYS B 4 4.106 -9.654 2.472 1.00 0.00 C ATOM 807 O LYS B 4 5.243 -9.199 2.344 1.00 0.00 O ATOM 808 CB LYS B 4 3.937 -12.050 1.790 1.00 0.00 C ATOM 809 CG LYS B 4 2.805 -11.841 0.806 1.00 0.00 C ATOM 810 CD LYS B 4 3.091 -12.512 -0.527 1.00 0.00 C ATOM 811 CE LYS B 4 2.412 -11.778 -1.672 1.00 0.00 C ATOM 812 NZ LYS B 4 1.010 -12.238 -1.872 1.00 0.00 N ATOM 0 H LYS B 4 1.831 -11.476 3.077 1.00 0.00 H new ATOM 0 HA LYS B 4 4.687 -11.323 3.666 1.00 0.00 H new ATOM 0 HB2 LYS B 4 4.889 -11.936 1.271 1.00 0.00 H new ATOM 0 HB3 LYS B 4 3.900 -13.072 2.167 1.00 0.00 H new ATOM 0 HG2 LYS B 4 1.881 -12.240 1.224 1.00 0.00 H new ATOM 0 HG3 LYS B 4 2.650 -10.773 0.651 1.00 0.00 H new ATOM 0 HD2 LYS B 4 4.167 -12.541 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.745 -13.545 -0.498 1.00 0.00 H new ATOM 0 HE2 LYS B 4 2.417 -10.707 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.979 -11.933 -2.590 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 0.582 -11.714 -2.661 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.006 -13.255 -2.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 0.462 -12.067 -1.005 1.00 0.00 H new ATOM 826 N ILE B 5 3.013 -8.950 2.191 1.00 0.00 N ATOM 827 CA ILE B 5 3.091 -7.579 1.707 1.00 0.00 C ATOM 828 C ILE B 5 3.619 -6.638 2.793 1.00 0.00 C ATOM 829 O ILE B 5 4.334 -5.681 2.499 1.00 0.00 O ATOM 830 CB ILE B 5 1.711 -7.078 1.211 1.00 0.00 C ATOM 831 CG1 ILE B 5 1.176 -8.003 0.116 1.00 0.00 C ATOM 832 CG2 ILE B 5 1.799 -5.649 0.693 1.00 0.00 C ATOM 833 CD1 ILE B 5 -0.333 -7.983 0.000 1.00 0.00 C ATOM 0 H ILE B 5 2.063 -9.308 2.291 1.00 0.00 H new ATOM 0 HA ILE B 5 3.787 -7.575 0.868 1.00 0.00 H new ATOM 0 HB ILE B 5 1.023 -7.090 2.056 1.00 0.00 H new ATOM 0 HG12 ILE B 5 1.611 -7.712 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE B 5 1.504 -9.022 0.319 1.00 0.00 H new ATOM 0 HG21 ILE B 5 0.816 -5.324 0.352 1.00 0.00 H new ATOM 0 HG22 ILE B 5 2.140 -4.992 1.493 1.00 0.00 H new ATOM 0 HG23 ILE B 5 2.504 -5.606 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE B 5 -0.646 -8.660 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE B 5 -0.775 -8.302 0.944 1.00 0.00 H new ATOM 0 HD13 ILE B 5 -0.667 -6.972 -0.233 1.00 0.00 H new ATOM 845 N GLU B 6 3.262 -6.914 4.045 1.00 0.00 N ATOM 846 CA GLU B 6 3.705 -6.083 5.162 1.00 0.00 C ATOM 847 C GLU B 6 5.235 -6.042 5.243 1.00 0.00 C ATOM 848 O GLU B 6 5.833 -4.974 5.119 1.00 0.00 O ATOM 849 CB GLU B 6 3.115 -6.594 6.479 1.00 0.00 C ATOM 850 CG GLU B 6 1.851 -5.864 6.903 1.00 0.00 C ATOM 851 CD GLU B 6 1.805 -5.596 8.394 1.00 0.00 C ATOM 852 OE1 GLU B 6 1.544 -6.547 9.159 1.00 0.00 O ATOM 853 OE2 GLU B 6 2.032 -4.435 8.795 1.00 0.00 O ATOM 0 H GLU B 6 2.671 -7.702 4.311 1.00 0.00 H new ATOM 0 HA GLU B 6 3.346 -5.068 4.990 1.00 0.00 H new ATOM 0 HB2 GLU B 6 2.895 -7.657 6.381 1.00 0.00 H new ATOM 0 HB3 GLU B 6 3.863 -6.495 7.265 1.00 0.00 H new ATOM 0 HG2 GLU B 6 1.784 -4.918 6.365 1.00 0.00 H new ATOM 0 HG3 GLU B 6 0.981 -6.455 6.617 1.00 0.00 H new ATOM 860 N PRO B 7 5.898 -7.205 5.451 1.00 0.00 N ATOM 861 CA PRO B 7 7.362 -7.274 5.541 1.00 0.00 C ATOM 862 C PRO B 7 8.060 -6.437 4.471 1.00 0.00 C ATOM 863 O PRO B 7 9.128 -5.870 4.708 1.00 0.00 O ATOM 864 CB PRO B 7 7.655 -8.756 5.320 1.00 0.00 C ATOM 865 CG PRO B 7 6.447 -9.467 5.825 1.00 0.00 C ATOM 866 CD PRO B 7 5.277 -8.538 5.614 1.00 0.00 C ATOM 0 HA PRO B 7 7.726 -6.881 6.490 1.00 0.00 H new ATOM 0 HB2 PRO B 7 7.828 -8.971 4.266 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.550 -9.066 5.859 1.00 0.00 H new ATOM 0 HG2 PRO B 7 6.298 -10.405 5.290 1.00 0.00 H new ATOM 0 HG3 PRO B 7 6.558 -9.716 6.880 1.00 0.00 H new ATOM 0 HD2 PRO B 7 4.699 -8.819 4.733 1.00 0.00 H new ATOM 0 HD3 PRO B 7 4.594 -8.558 6.463 1.00 0.00 H new ATOM 874 N ALA B 8 7.446 -6.362 3.295 1.00 0.00 N ATOM 875 CA ALA B 8 8.003 -5.594 2.189 1.00 0.00 C ATOM 876 C ALA B 8 7.955 -4.100 2.486 1.00 0.00 C ATOM 877 O ALA B 8 8.887 -3.364 2.164 1.00 0.00 O ATOM 878 CB ALA B 8 7.255 -5.906 0.902 1.00 0.00 C ATOM 0 H ALA B 8 6.562 -6.824 3.084 1.00 0.00 H new ATOM 0 HA ALA B 8 9.047 -5.880 2.065 1.00 0.00 H new ATOM 0 HB1 ALA B 8 7.681 -5.326 0.084 1.00 0.00 H new ATOM 0 HB2 ALA B 8 7.344 -6.969 0.678 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.203 -5.647 1.021 1.00 0.00 H new ATOM 884 N GLN B 9 6.864 -3.657 3.102 1.00 0.00 N ATOM 885 CA GLN B 9 6.698 -2.250 3.444 1.00 0.00 C ATOM 886 C GLN B 9 7.777 -1.805 4.424 1.00 0.00 C ATOM 887 O GLN B 9 8.279 -0.683 4.344 1.00 0.00 O ATOM 888 CB GLN B 9 5.310 -2.007 4.045 1.00 0.00 C ATOM 889 CG GLN B 9 4.215 -1.842 3.004 1.00 0.00 C ATOM 890 CD GLN B 9 2.834 -1.742 3.620 1.00 0.00 C ATOM 891 OE1 GLN B 9 2.552 -0.828 4.392 1.00 0.00 O ATOM 892 NE2 GLN B 9 1.965 -2.686 3.279 1.00 0.00 N ATOM 0 H GLN B 9 6.082 -4.252 3.374 1.00 0.00 H new ATOM 0 HA GLN B 9 6.794 -1.663 2.531 1.00 0.00 H new ATOM 0 HB2 GLN B 9 5.055 -2.841 4.698 1.00 0.00 H new ATOM 0 HB3 GLN B 9 5.345 -1.113 4.668 1.00 0.00 H new ATOM 0 HG2 GLN B 9 4.411 -0.946 2.415 1.00 0.00 H new ATOM 0 HG3 GLN B 9 4.242 -2.688 2.317 1.00 0.00 H new ATOM 0 HE21 GLN B 9 2.243 -3.426 2.634 1.00 0.00 H new ATOM 0 HE22 GLN B 9 1.020 -2.671 3.662 1.00 0.00 H new ATOM 901 N GLU B 10 8.134 -2.694 5.347 1.00 0.00 N ATOM 902 CA GLU B 10 9.158 -2.394 6.340 1.00 0.00 C ATOM 903 C GLU B 10 10.538 -2.337 5.691 1.00 0.00 C ATOM 904 O GLU B 10 11.412 -1.591 6.133 1.00 0.00 O ATOM 905 CB GLU B 10 9.144 -3.447 7.450 1.00 0.00 C ATOM 906 CG GLU B 10 7.943 -3.339 8.377 1.00 0.00 C ATOM 907 CD GLU B 10 8.109 -4.158 9.643 1.00 0.00 C ATOM 908 OE1 GLU B 10 8.661 -3.622 10.627 1.00 0.00 O ATOM 909 OE2 GLU B 10 7.689 -5.333 9.650 1.00 0.00 O ATOM 0 H GLU B 10 7.729 -3.627 5.427 1.00 0.00 H new ATOM 0 HA GLU B 10 8.939 -1.418 6.774 1.00 0.00 H new ATOM 0 HB2 GLU B 10 9.156 -4.439 6.998 1.00 0.00 H new ATOM 0 HB3 GLU B 10 10.056 -3.354 8.039 1.00 0.00 H new ATOM 0 HG2 GLU B 10 7.786 -2.294 8.643 1.00 0.00 H new ATOM 0 HG3 GLU B 10 7.049 -3.671 7.848 1.00 0.00 H new ATOM 916 N GLU B 11 10.725 -3.129 4.642 1.00 0.00 N ATOM 917 CA GLU B 11 11.996 -3.169 3.927 1.00 0.00 C ATOM 918 C GLU B 11 12.277 -1.839 3.244 1.00 0.00 C ATOM 919 O GLU B 11 13.409 -1.356 3.252 1.00 0.00 O ATOM 920 CB GLU B 11 11.989 -4.297 2.895 1.00 0.00 C ATOM 921 CG GLU B 11 13.292 -4.426 2.123 1.00 0.00 C ATOM 922 CD GLU B 11 14.395 -5.065 2.944 1.00 0.00 C ATOM 923 OE1 GLU B 11 14.203 -6.208 3.409 1.00 0.00 O ATOM 924 OE2 GLU B 11 15.452 -4.423 3.121 1.00 0.00 O ATOM 0 H GLU B 11 10.011 -3.754 4.267 1.00 0.00 H new ATOM 0 HA GLU B 11 12.787 -3.357 4.653 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.782 -5.240 3.401 1.00 0.00 H new ATOM 0 HB3 GLU B 11 11.175 -4.128 2.191 1.00 0.00 H new ATOM 0 HG2 GLU B 11 13.121 -5.021 1.226 1.00 0.00 H new ATOM 0 HG3 GLU B 11 13.615 -3.438 1.794 1.00 0.00 H new ATOM 931 N HIS B 12 11.246 -1.249 2.648 1.00 0.00 N ATOM 932 CA HIS B 12 11.408 0.027 1.966 1.00 0.00 C ATOM 933 C HIS B 12 11.825 1.119 2.948 1.00 0.00 C ATOM 934 O HIS B 12 12.677 1.948 2.644 1.00 0.00 O ATOM 935 CB HIS B 12 10.121 0.446 1.245 1.00 0.00 C ATOM 936 CG HIS B 12 10.311 1.705 0.469 1.00 0.00 C ATOM 937 ND1 HIS B 12 10.318 1.782 -0.908 1.00 0.00 N ATOM 938 CD2 HIS B 12 10.623 2.941 0.918 1.00 0.00 C ATOM 939 CE1 HIS B 12 10.653 3.037 -1.244 1.00 0.00 C ATOM 940 NE2 HIS B 12 10.846 3.774 -0.168 1.00 0.00 N ATOM 0 H HIS B 12 10.300 -1.630 2.624 1.00 0.00 H new ATOM 0 HA HIS B 12 12.194 -0.103 1.222 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.804 -0.352 0.573 1.00 0.00 H new ATOM 0 HB3 HIS B 12 9.323 0.585 1.975 1.00 0.00 H new ATOM 0 HD1 HIS B 12 10.107 1.022 -1.554 1.00 0.00 H new ATOM 0 HD2 HIS B 12 10.688 3.233 1.956 1.00 0.00 H new ATOM 0 HE1 HIS B 12 10.751 3.395 -2.258 1.00 0.00 H new ATOM 948 N GLU B 13 11.211 1.119 4.120 1.00 0.00 N ATOM 949 CA GLU B 13 11.513 2.118 5.140 1.00 0.00 C ATOM 950 C GLU B 13 12.961 2.025 5.634 1.00 0.00 C ATOM 951 O GLU B 13 13.433 2.919 6.334 1.00 0.00 O ATOM 952 CB GLU B 13 10.554 1.964 6.322 1.00 0.00 C ATOM 953 CG GLU B 13 9.100 2.223 5.962 1.00 0.00 C ATOM 954 CD GLU B 13 8.140 1.739 7.032 1.00 0.00 C ATOM 955 OE1 GLU B 13 8.022 2.418 8.074 1.00 0.00 O ATOM 956 OE2 GLU B 13 7.508 0.682 6.828 1.00 0.00 O ATOM 0 H GLU B 13 10.500 0.440 4.392 1.00 0.00 H new ATOM 0 HA GLU B 13 11.384 3.098 4.681 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.646 0.955 6.725 1.00 0.00 H new ATOM 0 HB3 GLU B 13 10.852 2.652 7.113 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.953 3.291 5.804 1.00 0.00 H new ATOM 0 HG3 GLU B 13 8.869 1.726 5.020 1.00 0.00 H new ATOM 963 N LYS B 14 13.661 0.940 5.297 1.00 0.00 N ATOM 964 CA LYS B 14 15.038 0.761 5.747 1.00 0.00 C ATOM 965 C LYS B 14 16.065 1.015 4.640 1.00 0.00 C ATOM 966 O LYS B 14 17.232 1.279 4.934 1.00 0.00 O ATOM 967 CB LYS B 14 15.222 -0.653 6.302 1.00 0.00 C ATOM 968 CG LYS B 14 14.172 -1.047 7.325 1.00 0.00 C ATOM 969 CD LYS B 14 13.921 -2.545 7.318 1.00 0.00 C ATOM 970 CE LYS B 14 14.692 -3.246 8.424 1.00 0.00 C ATOM 971 NZ LYS B 14 14.992 -4.663 8.080 1.00 0.00 N ATOM 0 H LYS B 14 13.300 0.181 4.720 1.00 0.00 H new ATOM 0 HA LYS B 14 15.216 1.502 6.526 1.00 0.00 H new ATOM 0 HB2 LYS B 14 15.197 -1.364 5.476 1.00 0.00 H new ATOM 0 HB3 LYS B 14 16.209 -0.729 6.759 1.00 0.00 H new ATOM 0 HG2 LYS B 14 14.496 -0.736 8.318 1.00 0.00 H new ATOM 0 HG3 LYS B 14 13.241 -0.520 7.114 1.00 0.00 H new ATOM 0 HD2 LYS B 14 12.855 -2.737 7.439 1.00 0.00 H new ATOM 0 HD3 LYS B 14 14.212 -2.959 6.352 1.00 0.00 H new ATOM 0 HE2 LYS B 14 15.624 -2.713 8.611 1.00 0.00 H new ATOM 0 HE3 LYS B 14 14.114 -3.211 9.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 15.519 -5.106 8.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 14.102 -5.179 7.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 15.565 -4.696 7.213 1.00 0.00 H new ATOM 985 N TYR B 15 15.658 0.913 3.375 1.00 0.00 N ATOM 986 CA TYR B 15 16.599 1.117 2.271 1.00 0.00 C ATOM 987 C TYR B 15 15.938 1.708 1.020 1.00 0.00 C ATOM 988 O TYR B 15 16.514 1.655 -0.067 1.00 0.00 O ATOM 989 CB TYR B 15 17.253 -0.217 1.918 1.00 0.00 C ATOM 990 CG TYR B 15 17.773 -0.971 3.121 1.00 0.00 C ATOM 991 CD1 TYR B 15 19.054 -0.741 3.606 1.00 0.00 C ATOM 992 CD2 TYR B 15 16.982 -1.910 3.777 1.00 0.00 C ATOM 993 CE1 TYR B 15 19.537 -1.423 4.706 1.00 0.00 C ATOM 994 CE2 TYR B 15 17.458 -2.596 4.879 1.00 0.00 C ATOM 995 CZ TYR B 15 18.734 -2.350 5.340 1.00 0.00 C ATOM 996 OH TYR B 15 19.211 -3.031 6.436 1.00 0.00 O ATOM 0 H TYR B 15 14.703 0.695 3.091 1.00 0.00 H new ATOM 0 HA TYR B 15 17.342 1.839 2.609 1.00 0.00 H new ATOM 0 HB2 TYR B 15 16.529 -0.840 1.394 1.00 0.00 H new ATOM 0 HB3 TYR B 15 18.077 -0.037 1.228 1.00 0.00 H new ATOM 0 HD1 TYR B 15 19.684 -0.015 3.114 1.00 0.00 H new ATOM 0 HD2 TYR B 15 15.982 -2.106 3.420 1.00 0.00 H new ATOM 0 HE1 TYR B 15 20.537 -1.232 5.068 1.00 0.00 H new ATOM 0 HE2 TYR B 15 16.833 -3.322 5.377 1.00 0.00 H new ATOM 0 HH TYR B 15 18.522 -3.645 6.765 1.00 0.00 H new ATOM 1006 N HIS B 16 14.734 2.262 1.171 1.00 0.00 N ATOM 1007 CA HIS B 16 13.988 2.856 0.052 1.00 0.00 C ATOM 1008 C HIS B 16 14.067 2.001 -1.216 1.00 0.00 C ATOM 1009 O HIS B 16 14.182 2.525 -2.324 1.00 0.00 O ATOM 1010 CB HIS B 16 14.475 4.278 -0.244 1.00 0.00 C ATOM 1011 CG HIS B 16 14.224 5.248 0.875 1.00 0.00 C ATOM 1012 ND1 HIS B 16 13.012 5.891 1.034 1.00 0.00 N ATOM 1013 CD2 HIS B 16 15.064 5.658 1.857 1.00 0.00 C ATOM 1014 CE1 HIS B 16 13.145 6.666 2.092 1.00 0.00 C ATOM 1015 NE2 HIS B 16 14.370 6.561 2.626 1.00 0.00 N ATOM 0 H HIS B 16 14.247 2.313 2.066 1.00 0.00 H new ATOM 0 HA HIS B 16 12.944 2.897 0.362 1.00 0.00 H new ATOM 0 HB2 HIS B 16 15.544 4.250 -0.455 1.00 0.00 H new ATOM 0 HB3 HIS B 16 13.981 4.641 -1.145 1.00 0.00 H new ATOM 0 HD2 HIS B 16 16.084 5.336 2.006 1.00 0.00 H new ATOM 0 HE1 HIS B 16 12.365 7.305 2.480 1.00 0.00 H new ATOM 0 HE2 HIS B 16 14.720 7.056 3.446 1.00 0.00 H new ATOM 1023 N SER B 17 14.004 0.685 -1.042 1.00 0.00 N ATOM 1024 CA SER B 17 14.067 -0.243 -2.165 1.00 0.00 C ATOM 1025 C SER B 17 12.945 0.029 -3.163 1.00 0.00 C ATOM 1026 O SER B 17 11.791 0.213 -2.779 1.00 0.00 O ATOM 1027 CB SER B 17 13.981 -1.686 -1.663 1.00 0.00 C ATOM 1028 OG SER B 17 15.020 -1.966 -0.739 1.00 0.00 O ATOM 0 H SER B 17 13.909 0.236 -0.131 1.00 0.00 H new ATOM 0 HA SER B 17 15.020 -0.096 -2.672 1.00 0.00 H new ATOM 0 HB2 SER B 17 13.014 -1.853 -1.189 1.00 0.00 H new ATOM 0 HB3 SER B 17 14.045 -2.373 -2.507 1.00 0.00 H new ATOM 0 HG SER B 17 14.943 -2.893 -0.431 1.00 0.00 H new ATOM 1034 N ASN B 18 13.294 0.056 -4.445 1.00 0.00 N ATOM 1035 CA ASN B 18 12.318 0.309 -5.497 1.00 0.00 C ATOM 1036 C ASN B 18 11.332 -0.850 -5.620 1.00 0.00 C ATOM 1037 O ASN B 18 11.419 -1.832 -4.883 1.00 0.00 O ATOM 1038 CB ASN B 18 13.026 0.536 -6.834 1.00 0.00 C ATOM 1039 CG ASN B 18 13.878 1.791 -6.828 1.00 0.00 C ATOM 1040 OD1 ASN B 18 14.147 2.368 -5.775 1.00 0.00 O ATOM 1041 ND2 ASN B 18 14.309 2.220 -8.010 1.00 0.00 N ATOM 0 H ASN B 18 14.246 -0.094 -4.780 1.00 0.00 H new ATOM 0 HA ASN B 18 11.761 1.207 -5.231 1.00 0.00 H new ATOM 0 HB2 ASN B 18 13.654 -0.326 -7.061 1.00 0.00 H new ATOM 0 HB3 ASN B 18 12.283 0.607 -7.629 1.00 0.00 H new ATOM 0 HD21 ASN B 18 14.887 3.059 -8.069 1.00 0.00 H new ATOM 0 HD22 ASN B 18 14.062 1.711 -8.858 1.00 0.00 H new ATOM 1048 N VAL B 19 10.392 -0.724 -6.552 1.00 0.00 N ATOM 1049 CA VAL B 19 9.386 -1.758 -6.769 1.00 0.00 C ATOM 1050 C VAL B 19 10.028 -3.074 -7.198 1.00 0.00 C ATOM 1051 O VAL B 19 9.796 -4.115 -6.584 1.00 0.00 O ATOM 1052 CB VAL B 19 8.361 -1.324 -7.832 1.00 0.00 C ATOM 1053 CG1 VAL B 19 7.229 -2.337 -7.936 1.00 0.00 C ATOM 1054 CG2 VAL B 19 7.817 0.059 -7.512 1.00 0.00 C ATOM 0 H VAL B 19 10.306 0.084 -7.169 1.00 0.00 H new ATOM 0 HA VAL B 19 8.873 -1.906 -5.819 1.00 0.00 H new ATOM 0 HB VAL B 19 8.866 -1.281 -8.797 1.00 0.00 H new ATOM 0 HG11 VAL B 19 6.516 -2.010 -8.693 1.00 0.00 H new ATOM 0 HG12 VAL B 19 7.635 -3.309 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL B 19 6.724 -2.418 -6.974 1.00 0.00 H new ATOM 0 HG21 VAL B 19 7.094 0.351 -8.273 1.00 0.00 H new ATOM 0 HG22 VAL B 19 7.330 0.042 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL B 19 8.636 0.778 -7.496 1.00 0.00 H new ATOM 1064 N LYS B 20 10.835 -3.024 -8.255 1.00 0.00 N ATOM 1065 CA LYS B 20 11.507 -4.218 -8.766 1.00 0.00 C ATOM 1066 C LYS B 20 12.341 -4.885 -7.670 1.00 0.00 C ATOM 1067 O LYS B 20 12.489 -6.107 -7.647 1.00 0.00 O ATOM 1068 CB LYS B 20 12.390 -3.862 -9.970 1.00 0.00 C ATOM 1069 CG LYS B 20 13.272 -5.003 -10.472 1.00 0.00 C ATOM 1070 CD LYS B 20 12.479 -6.283 -10.698 1.00 0.00 C ATOM 1071 CE LYS B 20 11.713 -6.244 -12.012 1.00 0.00 C ATOM 1072 NZ LYS B 20 11.171 -7.581 -12.383 1.00 0.00 N ATOM 0 H LYS B 20 11.040 -2.171 -8.775 1.00 0.00 H new ATOM 0 HA LYS B 20 10.744 -4.925 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.750 -3.529 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS B 20 13.027 -3.020 -9.700 1.00 0.00 H new ATOM 0 HG2 LYS B 20 13.753 -4.706 -11.404 1.00 0.00 H new ATOM 0 HG3 LYS B 20 14.066 -5.192 -9.749 1.00 0.00 H new ATOM 0 HD2 LYS B 20 13.157 -7.136 -10.697 1.00 0.00 H new ATOM 0 HD3 LYS B 20 11.781 -6.429 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS B 20 10.893 -5.530 -11.932 1.00 0.00 H new ATOM 0 HE3 LYS B 20 12.371 -5.887 -12.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 10.657 -7.509 -13.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 11.955 -8.257 -12.485 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 10.523 -7.911 -11.640 1.00 0.00 H new ATOM 1086 N GLU B 21 12.873 -4.075 -6.764 1.00 0.00 N ATOM 1087 CA GLU B 21 13.683 -4.592 -5.667 1.00 0.00 C ATOM 1088 C GLU B 21 12.808 -5.335 -4.665 1.00 0.00 C ATOM 1089 O GLU B 21 13.107 -6.466 -4.282 1.00 0.00 O ATOM 1090 CB GLU B 21 14.428 -3.452 -4.970 1.00 0.00 C ATOM 1091 CG GLU B 21 15.432 -3.928 -3.934 1.00 0.00 C ATOM 1092 CD GLU B 21 16.523 -2.908 -3.670 1.00 0.00 C ATOM 1093 OE1 GLU B 21 16.260 -1.700 -3.837 1.00 0.00 O ATOM 1094 OE2 GLU B 21 17.643 -3.319 -3.297 1.00 0.00 O ATOM 0 H GLU B 21 12.759 -3.061 -6.766 1.00 0.00 H new ATOM 0 HA GLU B 21 14.414 -5.288 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.947 -2.856 -5.720 1.00 0.00 H new ATOM 0 HB3 GLU B 21 13.703 -2.796 -4.487 1.00 0.00 H new ATOM 0 HG2 GLU B 21 14.911 -4.147 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.885 -4.860 -4.273 1.00 0.00 H new ATOM 1101 N LEU B 22 11.722 -4.695 -4.248 1.00 0.00 N ATOM 1102 CA LEU B 22 10.799 -5.297 -3.295 1.00 0.00 C ATOM 1103 C LEU B 22 10.092 -6.496 -3.918 1.00 0.00 C ATOM 1104 O LEU B 22 9.894 -7.523 -3.268 1.00 0.00 O ATOM 1105 CB LEU B 22 9.771 -4.266 -2.829 1.00 0.00 C ATOM 1106 CG LEU B 22 10.339 -3.117 -1.995 1.00 0.00 C ATOM 1107 CD1 LEU B 22 9.323 -1.992 -1.868 1.00 0.00 C ATOM 1108 CD2 LEU B 22 10.760 -3.615 -0.621 1.00 0.00 C ATOM 0 H LEU B 22 11.459 -3.759 -4.555 1.00 0.00 H new ATOM 0 HA LEU B 22 11.371 -5.640 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.275 -3.848 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.007 -4.777 -2.243 1.00 0.00 H new ATOM 0 HG LEU B 22 11.219 -2.725 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU B 22 9.747 -1.185 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU B 22 9.070 -1.616 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU B 22 8.423 -2.368 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.162 -2.785 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU B 22 9.896 -4.034 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.524 -4.384 -0.731 1.00 0.00 H new ATOM 1120 N SER B 23 9.714 -6.360 -5.185 1.00 0.00 N ATOM 1121 CA SER B 23 9.031 -7.429 -5.899 1.00 0.00 C ATOM 1122 C SER B 23 9.965 -8.613 -6.130 1.00 0.00 C ATOM 1123 O SER B 23 9.557 -9.770 -6.023 1.00 0.00 O ATOM 1124 CB SER B 23 8.501 -6.918 -7.241 1.00 0.00 C ATOM 1125 OG SER B 23 7.431 -6.009 -7.053 1.00 0.00 O ATOM 0 H SER B 23 9.870 -5.517 -5.738 1.00 0.00 H new ATOM 0 HA SER B 23 8.193 -7.762 -5.286 1.00 0.00 H new ATOM 0 HB2 SER B 23 9.305 -6.429 -7.791 1.00 0.00 H new ATOM 0 HB3 SER B 23 8.165 -7.759 -7.847 1.00 0.00 H new ATOM 0 HG SER B 23 6.584 -6.502 -7.026 1.00 0.00 H new ATOM 1131 N HIS B 24 11.221 -8.314 -6.448 1.00 0.00 N ATOM 1132 CA HIS B 24 12.216 -9.351 -6.699 1.00 0.00 C ATOM 1133 C HIS B 24 12.773 -9.912 -5.394 1.00 0.00 C ATOM 1134 O HIS B 24 13.179 -11.073 -5.330 1.00 0.00 O ATOM 1135 CB HIS B 24 13.355 -8.792 -7.553 1.00 0.00 C ATOM 1136 CG HIS B 24 14.279 -9.846 -8.082 1.00 0.00 C ATOM 1137 ND1 HIS B 24 15.518 -9.527 -8.581 1.00 0.00 N ATOM 1138 CD2 HIS B 24 14.099 -11.186 -8.162 1.00 0.00 C ATOM 1139 CE1 HIS B 24 16.062 -10.672 -8.954 1.00 0.00 C ATOM 1140 NE2 HIS B 24 15.239 -11.706 -8.720 1.00 0.00 N ATOM 0 H HIS B 24 11.574 -7.361 -6.538 1.00 0.00 H new ATOM 0 HA HIS B 24 11.726 -10.163 -7.236 1.00 0.00 H new ATOM 0 HB2 HIS B 24 12.932 -8.238 -8.391 1.00 0.00 H new ATOM 0 HB3 HIS B 24 13.929 -8.082 -6.958 1.00 0.00 H new ATOM 0 HD2 HIS B 24 13.226 -11.739 -7.847 1.00 0.00 H new ATOM 0 HE1 HIS B 24 17.045 -10.764 -9.392 1.00 0.00 H new ATOM 0 HE2 HIS B 24 15.425 -12.689 -8.919 1.00 0.00 H new ATOM 1148 N LYS B 25 12.800 -9.081 -4.356 1.00 0.00 N ATOM 1149 CA LYS B 25 13.320 -9.496 -3.057 1.00 0.00 C ATOM 1150 C LYS B 25 12.308 -10.354 -2.303 1.00 0.00 C ATOM 1151 O LYS B 25 12.680 -11.309 -1.620 1.00 0.00 O ATOM 1152 CB LYS B 25 13.689 -8.272 -2.218 1.00 0.00 C ATOM 1153 CG LYS B 25 14.414 -8.613 -0.925 1.00 0.00 C ATOM 1154 CD LYS B 25 13.442 -8.803 0.229 1.00 0.00 C ATOM 1155 CE LYS B 25 13.906 -9.898 1.177 1.00 0.00 C ATOM 1156 NZ LYS B 25 13.142 -11.160 0.982 1.00 0.00 N ATOM 0 H LYS B 25 12.468 -8.117 -4.389 1.00 0.00 H new ATOM 0 HA LYS B 25 14.213 -10.096 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.318 -7.611 -2.814 1.00 0.00 H new ATOM 0 HB3 LYS B 25 12.781 -7.719 -1.980 1.00 0.00 H new ATOM 0 HG2 LYS B 25 14.997 -9.523 -1.064 1.00 0.00 H new ATOM 0 HG3 LYS B 25 15.118 -7.817 -0.681 1.00 0.00 H new ATOM 0 HD2 LYS B 25 13.339 -7.866 0.777 1.00 0.00 H new ATOM 0 HD3 LYS B 25 12.456 -9.053 -0.162 1.00 0.00 H new ATOM 0 HE2 LYS B 25 14.968 -10.088 1.020 1.00 0.00 H new ATOM 0 HE3 LYS B 25 13.791 -9.559 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 13.543 -11.906 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 12.146 -11.006 1.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 13.202 -11.452 -0.014 1.00 0.00 H new ATOM 1170 N PHE B 26 11.032 -10.002 -2.419 1.00 0.00 N ATOM 1171 CA PHE B 26 9.975 -10.739 -1.737 1.00 0.00 C ATOM 1172 C PHE B 26 9.212 -11.637 -2.705 1.00 0.00 C ATOM 1173 O PHE B 26 9.021 -12.824 -2.446 1.00 0.00 O ATOM 1174 CB PHE B 26 9.018 -9.768 -1.047 1.00 0.00 C ATOM 1175 CG PHE B 26 9.645 -9.042 0.108 1.00 0.00 C ATOM 1176 CD1 PHE B 26 10.305 -7.841 -0.087 1.00 0.00 C ATOM 1177 CD2 PHE B 26 9.581 -9.568 1.389 1.00 0.00 C ATOM 1178 CE1 PHE B 26 10.889 -7.174 0.973 1.00 0.00 C ATOM 1179 CE2 PHE B 26 10.163 -8.908 2.452 1.00 0.00 C ATOM 1180 CZ PHE B 26 10.820 -7.709 2.245 1.00 0.00 C ATOM 0 H PHE B 26 10.706 -9.213 -2.977 1.00 0.00 H new ATOM 0 HA PHE B 26 10.439 -11.377 -0.985 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.661 -9.040 -1.775 1.00 0.00 H new ATOM 0 HB3 PHE B 26 8.146 -10.317 -0.692 1.00 0.00 H new ATOM 0 HD1 PHE B 26 10.364 -7.420 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE B 26 9.070 -10.505 1.557 1.00 0.00 H new ATOM 0 HE1 PHE B 26 11.398 -6.236 0.807 1.00 0.00 H new ATOM 0 HE2 PHE B 26 10.105 -9.328 3.445 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.278 -7.192 3.075 1.00 0.00 H new ATOM 1190 N GLY B 27 8.777 -11.064 -3.824 1.00 0.00 N ATOM 1191 CA GLY B 27 8.041 -11.830 -4.811 1.00 0.00 C ATOM 1192 C GLY B 27 6.622 -11.330 -4.994 1.00 0.00 C ATOM 1193 O GLY B 27 5.693 -12.120 -5.156 1.00 0.00 O ATOM 0 H GLY B 27 8.922 -10.083 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY B 27 8.565 -11.784 -5.766 1.00 0.00 H new ATOM 0 HA3 GLY B 27 8.018 -12.877 -4.510 1.00 0.00 H new ATOM 1197 N ILE B 28 6.453 -10.012 -4.966 1.00 0.00 N ATOM 1198 CA ILE B 28 5.138 -9.405 -5.130 1.00 0.00 C ATOM 1199 C ILE B 28 5.044 -8.641 -6.453 1.00 0.00 C ATOM 1200 O ILE B 28 6.032 -8.068 -6.914 1.00 0.00 O ATOM 1201 CB ILE B 28 4.815 -8.444 -3.969 1.00 0.00 C ATOM 1202 CG1 ILE B 28 5.978 -7.477 -3.740 1.00 0.00 C ATOM 1203 CG2 ILE B 28 4.515 -9.232 -2.700 1.00 0.00 C ATOM 1204 CD1 ILE B 28 5.652 -6.361 -2.769 1.00 0.00 C ATOM 0 H ILE B 28 7.212 -9.344 -4.831 1.00 0.00 H new ATOM 0 HA ILE B 28 4.412 -10.218 -5.132 1.00 0.00 H new ATOM 0 HB ILE B 28 3.931 -7.862 -4.231 1.00 0.00 H new ATOM 0 HG12 ILE B 28 6.836 -8.035 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE B 28 6.273 -7.043 -4.695 1.00 0.00 H new ATOM 0 HG21 ILE B 28 4.289 -8.541 -1.888 1.00 0.00 H new ATOM 0 HG22 ILE B 28 3.659 -9.885 -2.871 1.00 0.00 H new ATOM 0 HG23 ILE B 28 5.383 -9.835 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.521 -5.713 -2.654 1.00 0.00 H new ATOM 0 HD12 ILE B 28 4.814 -5.779 -3.152 1.00 0.00 H new ATOM 0 HD13 ILE B 28 5.386 -6.787 -1.801 1.00 0.00 H new ATOM 1216 N PRO B 29 3.852 -8.618 -7.088 1.00 0.00 N ATOM 1217 CA PRO B 29 3.655 -7.916 -8.362 1.00 0.00 C ATOM 1218 C PRO B 29 4.056 -6.446 -8.283 1.00 0.00 C ATOM 1219 O PRO B 29 4.127 -5.871 -7.197 1.00 0.00 O ATOM 1220 CB PRO B 29 2.150 -8.046 -8.617 1.00 0.00 C ATOM 1221 CG PRO B 29 1.731 -9.243 -7.837 1.00 0.00 C ATOM 1222 CD PRO B 29 2.613 -9.271 -6.621 1.00 0.00 C ATOM 0 HA PRO B 29 4.272 -8.338 -9.156 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.615 -7.154 -8.290 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.939 -8.173 -9.679 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.680 -9.178 -7.556 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.848 -10.153 -8.425 1.00 0.00 H new ATOM 0 HD2 PRO B 29 2.165 -8.733 -5.786 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.798 -10.290 -6.281 1.00 0.00 H new ATOM 1230 N ASN B 30 4.313 -5.846 -9.440 1.00 0.00 N ATOM 1231 CA ASN B 30 4.705 -4.441 -9.503 1.00 0.00 C ATOM 1232 C ASN B 30 3.626 -3.547 -8.902 1.00 0.00 C ATOM 1233 O ASN B 30 3.924 -2.506 -8.317 1.00 0.00 O ATOM 1234 CB ASN B 30 4.976 -4.027 -10.951 1.00 0.00 C ATOM 1235 CG ASN B 30 6.287 -4.578 -11.476 1.00 0.00 C ATOM 1236 OD1 ASN B 30 6.397 -5.763 -11.784 1.00 0.00 O ATOM 1237 ND2 ASN B 30 7.292 -3.715 -11.579 1.00 0.00 N ATOM 0 H ASN B 30 4.257 -6.309 -10.347 1.00 0.00 H new ATOM 0 HA ASN B 30 5.619 -4.320 -8.921 1.00 0.00 H new ATOM 0 HB2 ASN B 30 4.160 -4.375 -11.584 1.00 0.00 H new ATOM 0 HB3 ASN B 30 4.990 -2.939 -11.018 1.00 0.00 H new ATOM 0 HD21 ASN B 30 8.199 -4.028 -11.925 1.00 0.00 H new ATOM 0 HD22 ASN B 30 7.156 -2.740 -11.312 1.00 0.00 H new ATOM 1244 N LEU B 31 2.372 -3.961 -9.050 1.00 0.00 N ATOM 1245 CA LEU B 31 1.249 -3.197 -8.519 1.00 0.00 C ATOM 1246 C LEU B 31 1.316 -3.122 -6.999 1.00 0.00 C ATOM 1247 O LEU B 31 1.165 -2.049 -6.415 1.00 0.00 O ATOM 1248 CB LEU B 31 -0.076 -3.827 -8.952 1.00 0.00 C ATOM 1249 CG LEU B 31 -1.238 -2.844 -9.102 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -2.176 -3.289 -10.217 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -1.989 -2.702 -7.782 1.00 0.00 C ATOM 0 H LEU B 31 2.108 -4.820 -9.532 1.00 0.00 H new ATOM 0 HA LEU B 31 1.309 -2.185 -8.919 1.00 0.00 H new ATOM 0 HB2 LEU B 31 0.075 -4.337 -9.904 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -0.355 -4.588 -8.223 1.00 0.00 H new ATOM 0 HG LEU B 31 -0.834 -1.868 -9.371 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -2.996 -2.577 -10.308 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -1.628 -3.333 -11.158 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -2.576 -4.276 -9.984 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -2.813 -1.999 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -2.383 -3.673 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -1.309 -2.332 -7.014 1.00 0.00 H new ATOM 1263 N VAL B 32 1.545 -4.266 -6.364 1.00 0.00 N ATOM 1264 CA VAL B 32 1.634 -4.327 -4.910 1.00 0.00 C ATOM 1265 C VAL B 32 2.834 -3.535 -4.408 1.00 0.00 C ATOM 1266 O VAL B 32 2.714 -2.715 -3.498 1.00 0.00 O ATOM 1267 CB VAL B 32 1.746 -5.780 -4.408 1.00 0.00 C ATOM 1268 CG1 VAL B 32 1.576 -5.833 -2.899 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.724 -6.669 -5.099 1.00 0.00 C ATOM 0 H VAL B 32 1.672 -5.163 -6.833 1.00 0.00 H new ATOM 0 HA VAL B 32 0.716 -3.890 -4.517 1.00 0.00 H new ATOM 0 HB VAL B 32 2.739 -6.155 -4.655 1.00 0.00 H new ATOM 0 HG11 VAL B 32 1.658 -6.866 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL B 32 2.352 -5.233 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL B 32 0.596 -5.439 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL B 32 0.821 -7.690 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.280 -6.301 -4.888 1.00 0.00 H new ATOM 0 HG23 VAL B 32 0.898 -6.654 -6.175 1.00 0.00 H new ATOM 1279 N ALA B 33 3.994 -3.785 -5.007 1.00 0.00 N ATOM 1280 CA ALA B 33 5.218 -3.094 -4.621 1.00 0.00 C ATOM 1281 C ALA B 33 5.105 -1.597 -4.888 1.00 0.00 C ATOM 1282 O ALA B 33 5.643 -0.781 -4.139 1.00 0.00 O ATOM 1283 CB ALA B 33 6.412 -3.677 -5.362 1.00 0.00 C ATOM 0 H ALA B 33 4.112 -4.461 -5.762 1.00 0.00 H new ATOM 0 HA ALA B 33 5.367 -3.238 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA B 33 7.318 -3.150 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.510 -4.735 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA B 33 6.264 -3.564 -6.436 1.00 0.00 H new ATOM 1289 N ARG B 34 4.401 -1.244 -5.959 1.00 0.00 N ATOM 1290 CA ARG B 34 4.216 0.156 -6.321 1.00 0.00 C ATOM 1291 C ARG B 34 3.480 0.905 -5.216 1.00 0.00 C ATOM 1292 O ARG B 34 3.739 2.083 -4.968 1.00 0.00 O ATOM 1293 CB ARG B 34 3.440 0.268 -7.636 1.00 0.00 C ATOM 1294 CG ARG B 34 4.326 0.230 -8.870 1.00 0.00 C ATOM 1295 CD ARG B 34 3.528 -0.123 -10.117 1.00 0.00 C ATOM 1296 NE ARG B 34 4.260 0.189 -11.343 1.00 0.00 N ATOM 1297 CZ ARG B 34 3.958 -0.308 -12.542 1.00 0.00 C ATOM 1298 NH1 ARG B 34 2.936 -1.149 -12.689 1.00 0.00 N ATOM 1299 NH2 ARG B 34 4.678 0.033 -13.601 1.00 0.00 N ATOM 0 H ARG B 34 3.950 -1.907 -6.590 1.00 0.00 H new ATOM 0 HA ARG B 34 5.200 0.607 -6.451 1.00 0.00 H new ATOM 0 HB2 ARG B 34 2.718 -0.546 -7.692 1.00 0.00 H new ATOM 0 HB3 ARG B 34 2.872 1.198 -7.635 1.00 0.00 H new ATOM 0 HG2 ARG B 34 4.805 1.200 -9.005 1.00 0.00 H new ATOM 0 HG3 ARG B 34 5.121 -0.501 -8.726 1.00 0.00 H new ATOM 0 HD2 ARG B 34 3.283 -1.185 -10.102 1.00 0.00 H new ATOM 0 HD3 ARG B 34 2.584 0.422 -10.110 1.00 0.00 H new ATOM 0 HE ARG B 34 5.052 0.828 -11.277 1.00 0.00 H new ATOM 0 HH11 ARG B 34 2.376 -1.418 -11.880 1.00 0.00 H new ATOM 0 HH12 ARG B 34 2.713 -1.524 -13.611 1.00 0.00 H new ATOM 0 HH21 ARG B 34 5.463 0.676 -13.498 1.00 0.00 H new ATOM 0 HH22 ARG B 34 4.447 -0.347 -14.519 1.00 0.00 H new ATOM 1313 N GLN B 35 2.562 0.209 -4.551 1.00 0.00 N ATOM 1314 CA GLN B 35 1.788 0.805 -3.469 1.00 0.00 C ATOM 1315 C GLN B 35 2.693 1.175 -2.298 1.00 0.00 C ATOM 1316 O GLN B 35 2.488 2.193 -1.639 1.00 0.00 O ATOM 1317 CB GLN B 35 0.697 -0.160 -3.003 1.00 0.00 C ATOM 1318 CG GLN B 35 -0.517 -0.192 -3.918 1.00 0.00 C ATOM 1319 CD GLN B 35 -1.107 1.186 -4.151 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -1.146 2.018 -3.245 1.00 0.00 O ATOM 1321 NE2 GLN B 35 -1.570 1.434 -5.369 1.00 0.00 N ATOM 0 H GLN B 35 2.337 -0.767 -4.743 1.00 0.00 H new ATOM 0 HA GLN B 35 1.320 1.714 -3.845 1.00 0.00 H new ATOM 0 HB2 GLN B 35 1.116 -1.164 -2.934 1.00 0.00 H new ATOM 0 HB3 GLN B 35 0.378 0.122 -2.000 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -0.234 -0.629 -4.876 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -1.278 -0.841 -3.484 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -1.518 0.715 -6.091 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -1.978 2.344 -5.584 1.00 0.00 H new ATOM 1330 N ILE B 36 3.701 0.343 -2.052 1.00 0.00 N ATOM 1331 CA ILE B 36 4.643 0.584 -0.968 1.00 0.00 C ATOM 1332 C ILE B 36 5.456 1.847 -1.232 1.00 0.00 C ATOM 1333 O ILE B 36 5.493 2.757 -0.407 1.00 0.00 O ATOM 1334 CB ILE B 36 5.597 -0.615 -0.779 1.00 0.00 C ATOM 1335 CG1 ILE B 36 4.790 -1.907 -0.612 1.00 0.00 C ATOM 1336 CG2 ILE B 36 6.511 -0.393 0.419 1.00 0.00 C ATOM 1337 CD1 ILE B 36 5.646 -3.139 -0.404 1.00 0.00 C ATOM 0 H ILE B 36 3.885 -0.504 -2.590 1.00 0.00 H new ATOM 0 HA ILE B 36 4.064 0.715 -0.054 1.00 0.00 H new ATOM 0 HB ILE B 36 6.222 -0.706 -1.667 1.00 0.00 H new ATOM 0 HG12 ILE B 36 4.116 -1.796 0.238 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.168 -2.053 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.175 -1.250 0.534 1.00 0.00 H new ATOM 0 HG22 ILE B 36 7.105 0.508 0.262 1.00 0.00 H new ATOM 0 HG23 ILE B 36 5.908 -0.278 1.320 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.005 -4.013 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE B 36 6.302 -3.276 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.249 -3.016 0.496 1.00 0.00 H new ATOM 1349 N VAL B 37 6.104 1.892 -2.392 1.00 0.00 N ATOM 1350 CA VAL B 37 6.911 3.044 -2.769 1.00 0.00 C ATOM 1351 C VAL B 37 6.049 4.299 -2.860 1.00 0.00 C ATOM 1352 O VAL B 37 6.468 5.384 -2.457 1.00 0.00 O ATOM 1353 CB VAL B 37 7.621 2.814 -4.118 1.00 0.00 C ATOM 1354 CG1 VAL B 37 8.551 3.974 -4.446 1.00 0.00 C ATOM 1355 CG2 VAL B 37 8.385 1.499 -4.098 1.00 0.00 C ATOM 0 H VAL B 37 6.085 1.144 -3.085 1.00 0.00 H new ATOM 0 HA VAL B 37 7.666 3.179 -1.994 1.00 0.00 H new ATOM 0 HB VAL B 37 6.863 2.760 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL B 37 9.040 3.789 -5.402 1.00 0.00 H new ATOM 0 HG12 VAL B 37 7.974 4.897 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL B 37 9.305 4.068 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL B 37 8.881 1.351 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL B 37 9.131 1.524 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL B 37 7.691 0.678 -3.918 1.00 0.00 H new ATOM 1365 N ASN B 38 4.840 4.141 -3.390 1.00 0.00 N ATOM 1366 CA ASN B 38 3.913 5.259 -3.532 1.00 0.00 C ATOM 1367 C ASN B 38 3.599 5.876 -2.172 1.00 0.00 C ATOM 1368 O ASN B 38 3.352 7.077 -2.066 1.00 0.00 O ATOM 1369 CB ASN B 38 2.620 4.794 -4.203 1.00 0.00 C ATOM 1370 CG ASN B 38 2.732 4.764 -5.715 1.00 0.00 C ATOM 1371 OD1 ASN B 38 3.264 5.686 -6.330 1.00 0.00 O ATOM 1372 ND2 ASN B 38 2.226 3.695 -6.322 1.00 0.00 N ATOM 0 H ASN B 38 4.479 3.249 -3.728 1.00 0.00 H new ATOM 0 HA ASN B 38 4.386 6.016 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN B 38 2.363 3.799 -3.841 1.00 0.00 H new ATOM 0 HB3 ASN B 38 1.805 5.458 -3.915 1.00 0.00 H new ATOM 0 HD21 ASN B 38 2.270 3.617 -7.338 1.00 0.00 H new ATOM 0 HD22 ASN B 38 1.793 2.953 -5.772 1.00 0.00 H new ATOM 1379 N SER B 39 3.611 5.046 -1.134 1.00 0.00 N ATOM 1380 CA SER B 39 3.331 5.513 0.217 1.00 0.00 C ATOM 1381 C SER B 39 4.469 6.387 0.733 1.00 0.00 C ATOM 1382 O SER B 39 4.245 7.336 1.484 1.00 0.00 O ATOM 1383 CB SER B 39 3.119 4.322 1.155 1.00 0.00 C ATOM 1384 OG SER B 39 1.898 3.664 0.874 1.00 0.00 O ATOM 0 H SER B 39 3.811 4.048 -1.203 1.00 0.00 H new ATOM 0 HA SER B 39 2.420 6.111 0.190 1.00 0.00 H new ATOM 0 HB2 SER B 39 3.947 3.620 1.050 1.00 0.00 H new ATOM 0 HB3 SER B 39 3.121 4.665 2.190 1.00 0.00 H new ATOM 0 HG SER B 39 1.994 3.131 0.057 1.00 0.00 H new ATOM 1390 N CYS B 40 5.690 6.060 0.322 1.00 0.00 N ATOM 1391 CA CYS B 40 6.865 6.817 0.740 1.00 0.00 C ATOM 1392 C CYS B 40 6.821 8.237 0.182 1.00 0.00 C ATOM 1393 O CYS B 40 6.871 8.437 -1.032 1.00 0.00 O ATOM 1394 CB CYS B 40 8.143 6.116 0.279 1.00 0.00 C ATOM 1395 SG CYS B 40 9.664 6.934 0.819 1.00 0.00 S ATOM 0 H CYS B 40 5.892 5.277 -0.299 1.00 0.00 H new ATOM 0 HA CYS B 40 6.863 6.871 1.829 1.00 0.00 H new ATOM 0 HB2 CYS B 40 8.140 5.093 0.654 1.00 0.00 H new ATOM 0 HB3 CYS B 40 8.141 6.057 -0.809 1.00 0.00 H new ATOM 1400 N ALA B 41 6.727 9.216 1.075 1.00 0.00 N ATOM 1401 CA ALA B 41 6.675 10.615 0.671 1.00 0.00 C ATOM 1402 C ALA B 41 8.032 11.102 0.169 1.00 0.00 C ATOM 1403 O ALA B 41 8.107 12.006 -0.662 1.00 0.00 O ATOM 1404 CB ALA B 41 6.198 11.478 1.829 1.00 0.00 C ATOM 0 H ALA B 41 6.685 9.066 2.083 1.00 0.00 H new ATOM 0 HA ALA B 41 5.966 10.701 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA B 41 6.163 12.521 1.515 1.00 0.00 H new ATOM 0 HB2 ALA B 41 5.202 11.158 2.135 1.00 0.00 H new ATOM 0 HB3 ALA B 41 6.886 11.374 2.668 1.00 0.00 H new ATOM 1410 N GLN B 42 9.101 10.500 0.680 1.00 0.00 N ATOM 1411 CA GLN B 42 10.455 10.877 0.285 1.00 0.00 C ATOM 1412 C GLN B 42 10.784 10.378 -1.123 1.00 0.00 C ATOM 1413 O GLN B 42 11.636 10.947 -1.806 1.00 0.00 O ATOM 1414 CB GLN B 42 11.474 10.320 1.280 1.00 0.00 C ATOM 1415 CG GLN B 42 11.324 10.884 2.685 1.00 0.00 C ATOM 1416 CD GLN B 42 12.242 12.065 2.940 1.00 0.00 C ATOM 1417 OE1 GLN B 42 12.798 12.646 2.008 1.00 0.00 O ATOM 1418 NE2 GLN B 42 12.403 12.424 4.207 1.00 0.00 N ATOM 0 H GLN B 42 9.057 9.749 1.369 1.00 0.00 H new ATOM 0 HA GLN B 42 10.508 11.966 0.284 1.00 0.00 H new ATOM 0 HB2 GLN B 42 11.375 9.235 1.320 1.00 0.00 H new ATOM 0 HB3 GLN B 42 12.479 10.535 0.917 1.00 0.00 H new ATOM 0 HG2 GLN B 42 10.290 11.192 2.841 1.00 0.00 H new ATOM 0 HG3 GLN B 42 11.536 10.100 3.412 1.00 0.00 H new ATOM 0 HE21 GLN B 42 11.922 11.913 4.947 1.00 0.00 H new ATOM 0 HE22 GLN B 42 13.008 13.211 4.441 1.00 0.00 H new ATOM 1427 N CYS B 43 10.110 9.314 -1.550 1.00 0.00 N ATOM 1428 CA CYS B 43 10.339 8.742 -2.873 1.00 0.00 C ATOM 1429 C CYS B 43 9.316 9.253 -3.882 1.00 0.00 C ATOM 1430 O CYS B 43 9.618 9.391 -5.066 1.00 0.00 O ATOM 1431 CB CYS B 43 10.292 7.216 -2.809 1.00 0.00 C ATOM 1432 SG CYS B 43 11.825 6.453 -2.230 1.00 0.00 S ATOM 0 H CYS B 43 9.401 8.830 -0.999 1.00 0.00 H new ATOM 0 HA CYS B 43 11.329 9.055 -3.204 1.00 0.00 H new ATOM 0 HB2 CYS B 43 9.478 6.916 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS B 43 10.058 6.829 -3.801 1.00 0.00 H new ATOM 1437 N GLN B 44 8.107 9.529 -3.407 1.00 0.00 N ATOM 1438 CA GLN B 44 7.045 10.022 -4.276 1.00 0.00 C ATOM 1439 C GLN B 44 7.396 11.396 -4.837 1.00 0.00 C ATOM 1440 O GLN B 44 7.372 11.608 -6.049 1.00 0.00 O ATOM 1441 CB GLN B 44 5.719 10.076 -3.514 1.00 0.00 C ATOM 1442 CG GLN B 44 4.772 8.943 -3.869 1.00 0.00 C ATOM 1443 CD GLN B 44 3.315 9.336 -3.732 1.00 0.00 C ATOM 1444 OE1 GLN B 44 2.560 9.315 -4.705 1.00 0.00 O ATOM 1445 NE2 GLN B 44 2.912 9.699 -2.521 1.00 0.00 N ATOM 0 H GLN B 44 7.838 9.420 -2.429 1.00 0.00 H new ATOM 0 HA GLN B 44 6.939 9.332 -5.113 1.00 0.00 H new ATOM 0 HB2 GLN B 44 5.922 10.048 -2.444 1.00 0.00 H new ATOM 0 HB3 GLN B 44 5.229 11.027 -3.720 1.00 0.00 H new ATOM 0 HG2 GLN B 44 4.963 8.622 -4.893 1.00 0.00 H new ATOM 0 HG3 GLN B 44 4.976 8.088 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN B 44 3.572 9.702 -1.743 1.00 0.00 H new ATOM 0 HE22 GLN B 44 1.942 9.975 -2.368 1.00 0.00 H new ATOM 1454 N GLN B 45 7.720 12.329 -3.948 1.00 0.00 N ATOM 1455 CA GLN B 45 8.077 13.682 -4.358 1.00 0.00 C ATOM 1456 C GLN B 45 9.493 13.725 -4.921 1.00 0.00 C ATOM 1457 O GLN B 45 10.341 12.913 -4.554 1.00 0.00 O ATOM 1458 CB GLN B 45 7.957 14.645 -3.176 1.00 0.00 C ATOM 1459 CG GLN B 45 7.584 16.061 -3.583 1.00 0.00 C ATOM 1460 CD GLN B 45 6.913 16.833 -2.463 1.00 0.00 C ATOM 1461 OE1 GLN B 45 7.579 17.406 -1.603 1.00 0.00 O ATOM 1462 NE2 GLN B 45 5.585 16.847 -2.470 1.00 0.00 N ATOM 0 H GLN B 45 7.743 12.173 -2.940 1.00 0.00 H new ATOM 0 HA GLN B 45 7.384 13.991 -5.141 1.00 0.00 H new ATOM 0 HB2 GLN B 45 7.206 14.265 -2.483 1.00 0.00 H new ATOM 0 HB3 GLN B 45 8.905 14.668 -2.638 1.00 0.00 H new ATOM 0 HG2 GLN B 45 8.482 16.593 -3.898 1.00 0.00 H new ATOM 0 HG3 GLN B 45 6.917 16.024 -4.444 1.00 0.00 H new ATOM 0 HE21 GLN B 45 5.074 16.357 -3.204 1.00 0.00 H new ATOM 0 HE22 GLN B 45 5.076 17.348 -1.741 1.00 0.00 H new ATOM 1471 N LYS B 46 9.740 14.678 -5.816 1.00 0.00 N ATOM 1472 CA LYS B 46 11.053 14.827 -6.430 1.00 0.00 C ATOM 1473 C LYS B 46 11.759 16.076 -5.911 1.00 0.00 C ATOM 1474 O LYS B 46 11.378 16.562 -4.826 1.00 0.00 O ATOM 1475 CB LYS B 46 10.921 14.897 -7.952 1.00 0.00 C ATOM 1476 CG LYS B 46 10.190 13.704 -8.555 1.00 0.00 C ATOM 1477 CD LYS B 46 11.024 13.003 -9.615 1.00 0.00 C ATOM 1478 CE LYS B 46 10.244 11.881 -10.280 1.00 0.00 C ATOM 1479 NZ LYS B 46 11.035 11.209 -11.349 1.00 0.00 N ATOM 1480 OXT LYS B 46 12.688 16.556 -6.595 1.00 0.00 O ATOM 0 H LYS B 46 9.047 15.357 -6.131 1.00 0.00 H new ATOM 0 HA LYS B 46 11.652 13.957 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS B 46 10.392 15.811 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS B 46 11.916 14.964 -8.392 1.00 0.00 H new ATOM 0 HG2 LYS B 46 9.938 12.996 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS B 46 9.251 14.039 -8.995 1.00 0.00 H new ATOM 0 HD2 LYS B 46 11.340 13.725 -10.368 1.00 0.00 H new ATOM 0 HD3 LYS B 46 11.929 12.600 -9.161 1.00 0.00 H new ATOM 0 HE2 LYS B 46 9.953 11.147 -9.529 1.00 0.00 H new ATOM 0 HE3 LYS B 46 9.325 12.282 -10.707 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 10.466 10.450 -11.777 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 11.291 11.903 -12.080 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 11.900 10.804 -10.938 1.00 0.00 H new TER 1494 LYS B 46 HETATM 1495 ZN ZN A 147 -16.876 5.752 -7.775 1.00 0.00 ZN HETATM 1496 ZN ZN B 147 11.372 5.700 -0.102 1.00 0.00 ZN