USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 547 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 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 2 TYR OH : rot -156:sc= -0.0527 USER MOD Set 1.2: A 46 LYS NZ :NH3+ -173:sc= 0.379 (180deg=-0.091) USER MOD Set 1.3: A 64 ASN : amide:sc= -4.55! C(o=-4.2!,f=-10!) USER MOD Single : A 1 ASN : amide:sc= -0.0666 X(o=-0.067,f=-0.49) USER MOD Single : A 1 ASN N :NH3+ -112:sc= 0.12 (180deg=-0.155) USER MOD Single : A 3 THR OG1 : rot 100:sc= -1.82 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.109 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 90:sc= -0.653 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -20:sc= -0.358 USER MOD Single : A 31 THR OG1 : rot -28:sc= -1.62 USER MOD Single : A 33 SER OG : rot 125:sc= -1.16! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -1.59 USER MOD Single : A 43 HIS : no HE2:sc= -0.521! C(o=-0.52!,f=-6.2!) USER MOD Single : A 45 THR OG1 : rot -77:sc= 0.0418 USER MOD Single : A 48 SER OG : rot 75:sc= -0.234! USER MOD Single : A 49 HIS : no HD1:sc= -7.86! C(o=-7.9!,f=-8.1!) USER MOD Single : A 59 MET CE :methyl 150:sc= -7.18! (180deg=-10.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.285 K(o=-0.29,f=-2.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 127:sc= -0.375 USER MOD Single : A 70 GLN : amide:sc= -0.0245 K(o=-0.025,f=-7.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -120:sc= -0.872 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 1.493 3.525 -6.094 1.00 0.00 N ATOM 2 CA ASN A 1 2.536 4.206 -5.337 1.00 0.00 C ATOM 3 C ASN A 1 3.595 3.217 -4.859 1.00 0.00 C ATOM 4 O ASN A 1 4.700 3.165 -5.399 1.00 0.00 O ATOM 5 CB ASN A 1 1.930 4.940 -4.139 1.00 0.00 C ATOM 6 CG ASN A 1 0.848 5.920 -4.549 1.00 0.00 C ATOM 7 OD1 ASN A 1 -0.288 5.529 -4.819 1.00 0.00 O ATOM 8 ND2 ASN A 1 1.197 7.200 -4.595 1.00 0.00 N ATOM 0 H1 ASN A 1 1.542 3.816 -7.091 1.00 0.00 H new ATOM 0 H2 ASN A 1 1.630 2.496 -6.026 1.00 0.00 H new ATOM 0 H3 ASN A 1 0.562 3.777 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 1 3.013 4.932 -5.996 1.00 0.00 H new ATOM 0 HB2 ASN A 1 1.513 4.212 -3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.717 5.474 -3.607 1.00 0.00 H new ATOM 0 HD21 ASN A 1 0.511 7.906 -4.863 1.00 0.00 H new ATOM 0 HD22 ASN A 1 2.151 7.477 -4.363 1.00 0.00 H new ATOM 15 N TYR A 2 3.248 2.433 -3.844 1.00 0.00 N ATOM 16 CA TYR A 2 4.169 1.446 -3.291 1.00 0.00 C ATOM 17 C TYR A 2 3.990 0.092 -3.972 1.00 0.00 C ATOM 18 O TYR A 2 4.929 -0.697 -4.069 1.00 0.00 O ATOM 19 CB TYR A 2 3.953 1.304 -1.784 1.00 0.00 C ATOM 20 CG TYR A 2 4.845 2.201 -0.957 1.00 0.00 C ATOM 21 CD1 TYR A 2 5.431 3.332 -1.511 1.00 0.00 C ATOM 22 CD2 TYR A 2 5.102 1.918 0.379 1.00 0.00 C ATOM 23 CE1 TYR A 2 6.246 4.155 -0.759 1.00 0.00 C ATOM 24 CE2 TYR A 2 5.916 2.735 1.138 1.00 0.00 C ATOM 25 CZ TYR A 2 6.486 3.853 0.565 1.00 0.00 C ATOM 26 OH TYR A 2 7.299 4.670 1.317 1.00 0.00 O ATOM 0 H TYR A 2 2.336 2.462 -3.388 1.00 0.00 H new ATOM 0 HA TYR A 2 5.186 1.793 -3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.912 1.528 -1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 2 4.128 0.267 -1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 2 5.246 3.572 -2.548 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.657 1.044 0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 2 6.693 5.031 -1.206 1.00 0.00 H new ATOM 0 HE2 TYR A 2 6.106 2.500 2.175 1.00 0.00 H new ATOM 0 HH TYR A 2 7.672 4.160 2.066 1.00 0.00 H new ATOM 36 N THR A 3 2.774 -0.169 -4.446 1.00 0.00 N ATOM 37 CA THR A 3 2.469 -1.425 -5.117 1.00 0.00 C ATOM 38 C THR A 3 1.462 -1.217 -6.242 1.00 0.00 C ATOM 39 O THR A 3 0.945 -0.116 -6.429 1.00 0.00 O ATOM 40 CB THR A 3 1.911 -2.469 -4.131 1.00 0.00 C ATOM 41 OG1 THR A 3 0.716 -3.054 -4.661 1.00 0.00 O ATOM 42 CG2 THR A 3 1.616 -1.833 -2.781 1.00 0.00 C ATOM 0 H THR A 3 1.985 0.474 -4.377 1.00 0.00 H new ATOM 0 HA THR A 3 3.405 -1.795 -5.534 1.00 0.00 H new ATOM 0 HB THR A 3 2.663 -3.245 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.926 -3.925 -5.057 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.223 -2.589 -2.101 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.534 -1.415 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.880 -1.039 -2.906 1.00 0.00 H new ATOM 50 N GLU A 4 1.187 -2.282 -6.990 1.00 0.00 N ATOM 51 CA GLU A 4 0.241 -2.213 -8.097 1.00 0.00 C ATOM 52 C GLU A 4 -1.020 -3.013 -7.785 1.00 0.00 C ATOM 53 O GLU A 4 -0.961 -4.222 -7.567 1.00 0.00 O ATOM 54 CB GLU A 4 0.887 -2.738 -9.382 1.00 0.00 C ATOM 55 CG GLU A 4 -0.115 -3.274 -10.391 1.00 0.00 C ATOM 56 CD GLU A 4 0.386 -3.177 -11.818 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.610 -3.012 -12.007 1.00 0.00 O ATOM 58 OE2 GLU A 4 -0.444 -3.264 -12.747 1.00 0.00 O ATOM 0 H GLU A 4 1.606 -3.201 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.038 -1.169 -8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.462 -1.935 -9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.592 -3.529 -9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.338 -4.315 -10.158 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.049 -2.720 -10.299 1.00 0.00 H new ATOM 65 N GLU A 5 -2.159 -2.327 -7.765 1.00 0.00 N ATOM 66 CA GLU A 5 -3.433 -2.973 -7.479 1.00 0.00 C ATOM 67 C GLU A 5 -3.467 -4.388 -8.048 1.00 0.00 C ATOM 68 O GLU A 5 -3.090 -4.615 -9.199 1.00 0.00 O ATOM 69 CB GLU A 5 -4.589 -2.152 -8.055 1.00 0.00 C ATOM 70 CG GLU A 5 -5.836 -2.160 -7.187 1.00 0.00 C ATOM 71 CD GLU A 5 -7.055 -1.624 -7.912 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.165 -1.711 -7.347 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.899 -1.119 -9.043 1.00 0.00 O ATOM 0 H GLU A 5 -2.224 -1.325 -7.943 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.544 -3.033 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.259 -1.122 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.842 -2.539 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.035 -3.178 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.656 -1.561 -6.294 1.00 0.00 H new ATOM 80 N LEU A 6 -3.921 -5.337 -7.236 1.00 0.00 N ATOM 81 CA LEU A 6 -4.004 -6.730 -7.658 1.00 0.00 C ATOM 82 C LEU A 6 -5.279 -6.984 -8.455 1.00 0.00 C ATOM 83 O LEU A 6 -5.337 -7.894 -9.281 1.00 0.00 O ATOM 84 CB LEU A 6 -3.957 -7.656 -6.441 1.00 0.00 C ATOM 85 CG LEU A 6 -2.873 -7.351 -5.407 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.485 -8.613 -4.651 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.655 -6.732 -6.077 1.00 0.00 C ATOM 0 H LEU A 6 -4.237 -5.166 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.149 -6.940 -8.300 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.926 -7.619 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.818 -8.678 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.273 -6.633 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.712 -8.376 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.360 -9.013 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.105 -9.355 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.894 -6.522 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.254 -7.426 -6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.944 -5.804 -6.571 1.00 0.00 H new ATOM 99 N LYS A 7 -6.299 -6.170 -8.204 1.00 0.00 N ATOM 100 CA LYS A 7 -7.573 -6.301 -8.900 1.00 0.00 C ATOM 101 C LYS A 7 -8.448 -7.362 -8.237 1.00 0.00 C ATOM 102 O LYS A 7 -9.673 -7.236 -8.201 1.00 0.00 O ATOM 103 CB LYS A 7 -7.341 -6.663 -10.368 1.00 0.00 C ATOM 104 CG LYS A 7 -8.255 -5.923 -11.329 1.00 0.00 C ATOM 105 CD LYS A 7 -9.006 -6.883 -12.236 1.00 0.00 C ATOM 106 CE LYS A 7 -10.119 -6.177 -12.996 1.00 0.00 C ATOM 107 NZ LYS A 7 -10.837 -7.104 -13.914 1.00 0.00 N ATOM 0 H LYS A 7 -6.268 -5.412 -7.523 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.089 -5.342 -8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.304 -6.448 -10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.485 -7.736 -10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.968 -5.322 -10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.666 -5.234 -11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.311 -7.335 -12.944 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.427 -7.693 -11.641 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.827 -5.747 -12.287 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.700 -5.350 -13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.588 -6.586 -14.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.167 -7.495 -14.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.259 -7.879 -13.364 1.00 0.00 H new ATOM 121 N VAL A 8 -7.811 -8.404 -7.712 1.00 0.00 N ATOM 122 CA VAL A 8 -8.532 -9.483 -7.047 1.00 0.00 C ATOM 123 C VAL A 8 -7.887 -9.833 -5.711 1.00 0.00 C ATOM 124 O VAL A 8 -6.667 -9.792 -5.551 1.00 0.00 O ATOM 125 CB VAL A 8 -8.582 -10.748 -7.926 1.00 0.00 C ATOM 126 CG1 VAL A 8 -8.317 -11.991 -7.091 1.00 0.00 C ATOM 127 CG2 VAL A 8 -9.925 -10.849 -8.636 1.00 0.00 C ATOM 0 H VAL A 8 -6.798 -8.524 -7.734 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.548 -9.127 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.800 -10.675 -8.682 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.357 -12.874 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.330 -11.918 -6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.074 -12.073 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.944 -11.748 -9.253 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.724 -10.899 -7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.069 -9.973 -9.268 1.00 0.00 H new ATOM 137 N PRO A 9 -8.726 -10.187 -4.724 1.00 0.00 N ATOM 138 CA PRO A 9 -8.259 -10.552 -3.383 1.00 0.00 C ATOM 139 C PRO A 9 -7.523 -11.887 -3.368 1.00 0.00 C ATOM 140 O PRO A 9 -8.113 -12.951 -3.553 1.00 0.00 O ATOM 141 CB PRO A 9 -9.555 -10.647 -2.573 1.00 0.00 C ATOM 142 CG PRO A 9 -10.610 -10.955 -3.578 1.00 0.00 C ATOM 143 CD PRO A 9 -10.191 -10.258 -4.844 1.00 0.00 C ATOM 0 HA PRO A 9 -7.544 -9.830 -2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.491 -11.427 -1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.765 -9.713 -2.052 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.698 -12.030 -3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.585 -10.601 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.495 -10.816 -5.730 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.636 -9.266 -4.923 1.00 0.00 H new ATOM 151 N PRO A 10 -6.201 -11.832 -3.144 1.00 0.00 N ATOM 152 CA PRO A 10 -5.356 -13.028 -3.099 1.00 0.00 C ATOM 153 C PRO A 10 -5.630 -13.885 -1.867 1.00 0.00 C ATOM 154 O PRO A 10 -6.647 -13.716 -1.195 1.00 0.00 O ATOM 155 CB PRO A 10 -3.937 -12.457 -3.048 1.00 0.00 C ATOM 156 CG PRO A 10 -4.094 -11.102 -2.450 1.00 0.00 C ATOM 157 CD PRO A 10 -5.432 -10.597 -2.915 1.00 0.00 C ATOM 0 HA PRO A 10 -5.535 -13.686 -3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.280 -13.083 -2.443 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.497 -12.402 -4.044 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.051 -11.148 -1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.292 -10.438 -2.773 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.905 -9.962 -2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.344 -10.004 -3.825 1.00 0.00 H new ATOM 165 N ASP A 11 -4.715 -14.804 -1.577 1.00 0.00 N ATOM 166 CA ASP A 11 -4.857 -15.687 -0.425 1.00 0.00 C ATOM 167 C ASP A 11 -3.918 -15.267 0.701 1.00 0.00 C ATOM 168 O ASP A 11 -3.425 -16.104 1.456 1.00 0.00 O ATOM 169 CB ASP A 11 -4.575 -17.135 -0.827 1.00 0.00 C ATOM 170 CG ASP A 11 -5.180 -18.134 0.140 1.00 0.00 C ATOM 171 OD1 ASP A 11 -6.349 -17.942 0.537 1.00 0.00 O ATOM 172 OD2 ASP A 11 -4.486 -19.107 0.500 1.00 0.00 O ATOM 0 H ASP A 11 -3.867 -14.957 -2.124 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.883 -15.611 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.972 -17.315 -1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.497 -17.291 -0.879 1.00 0.00 H new ATOM 177 N GLU A 12 -3.673 -13.964 0.806 1.00 0.00 N ATOM 178 CA GLU A 12 -2.790 -13.434 1.838 1.00 0.00 C ATOM 179 C GLU A 12 -3.595 -12.910 3.025 1.00 0.00 C ATOM 180 O GLU A 12 -3.193 -13.066 4.178 1.00 0.00 O ATOM 181 CB GLU A 12 -1.915 -12.316 1.268 1.00 0.00 C ATOM 182 CG GLU A 12 -0.873 -12.805 0.275 1.00 0.00 C ATOM 183 CD GLU A 12 -0.266 -14.136 0.675 1.00 0.00 C ATOM 184 OE1 GLU A 12 -0.935 -15.174 0.488 1.00 0.00 O ATOM 185 OE2 GLU A 12 0.878 -14.140 1.175 1.00 0.00 O ATOM 0 H GLU A 12 -4.073 -13.257 0.189 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.150 -14.245 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.553 -11.580 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.411 -11.806 2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.331 -12.900 -0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.082 -12.060 0.188 1.00 0.00 H new ATOM 192 N ASP A 13 -4.730 -12.286 2.732 1.00 0.00 N ATOM 193 CA ASP A 13 -5.592 -11.739 3.774 1.00 0.00 C ATOM 194 C ASP A 13 -4.862 -10.663 4.573 1.00 0.00 C ATOM 195 O ASP A 13 -3.734 -10.866 5.021 1.00 0.00 O ATOM 196 CB ASP A 13 -6.067 -12.852 4.709 1.00 0.00 C ATOM 197 CG ASP A 13 -6.715 -14.000 3.960 1.00 0.00 C ATOM 198 OD1 ASP A 13 -7.389 -14.827 4.609 1.00 0.00 O ATOM 199 OD2 ASP A 13 -6.547 -14.071 2.725 1.00 0.00 O ATOM 0 H ASP A 13 -5.075 -12.146 1.782 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.459 -11.285 3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.219 -13.228 5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.779 -12.442 5.425 1.00 0.00 H new ATOM 204 N CYS A 14 -5.515 -9.519 4.746 1.00 0.00 N ATOM 205 CA CYS A 14 -4.929 -8.409 5.489 1.00 0.00 C ATOM 206 C CYS A 14 -4.263 -8.904 6.770 1.00 0.00 C ATOM 207 O CYS A 14 -4.552 -10.001 7.248 1.00 0.00 O ATOM 208 CB CYS A 14 -6.001 -7.372 5.828 1.00 0.00 C ATOM 209 SG CYS A 14 -5.355 -5.869 6.630 1.00 0.00 S ATOM 0 H CYS A 14 -6.450 -9.336 4.382 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.169 -7.945 4.860 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.519 -7.088 4.912 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.741 -7.831 6.483 1.00 0.00 H new ATOM 214 N ILE A 15 -3.370 -8.088 7.320 1.00 0.00 N ATOM 215 CA ILE A 15 -2.664 -8.441 8.545 1.00 0.00 C ATOM 216 C ILE A 15 -2.943 -7.430 9.652 1.00 0.00 C ATOM 217 O ILE A 15 -2.763 -7.724 10.834 1.00 0.00 O ATOM 218 CB ILE A 15 -1.143 -8.527 8.314 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.835 -8.579 6.817 1.00 0.00 C ATOM 220 CG2 ILE A 15 -0.567 -9.743 9.022 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.635 -8.428 6.496 1.00 0.00 C ATOM 0 H ILE A 15 -3.118 -7.177 6.936 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.033 -9.420 8.850 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.676 -7.635 8.731 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.191 -9.527 6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.392 -7.789 6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.508 -9.789 8.849 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.759 -9.666 10.092 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.036 -10.647 8.633 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.778 -8.475 5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.992 -7.468 6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.196 -9.233 6.972 1.00 0.00 H new ATOM 233 N ILE A 16 -3.386 -6.240 9.260 1.00 0.00 N ATOM 234 CA ILE A 16 -3.693 -5.187 10.219 1.00 0.00 C ATOM 235 C ILE A 16 -5.025 -5.447 10.914 1.00 0.00 C ATOM 236 O ILE A 16 -5.072 -5.696 12.119 1.00 0.00 O ATOM 237 CB ILE A 16 -3.741 -3.805 9.543 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.531 -3.620 8.624 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.791 -2.703 10.590 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.593 -2.520 9.073 1.00 0.00 C ATOM 0 H ILE A 16 -3.540 -5.982 8.285 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.893 -5.192 10.959 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.646 -3.745 8.938 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.979 -4.558 8.571 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.881 -3.399 7.616 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.825 -1.732 10.095 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.681 -2.827 11.207 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.903 -2.759 11.220 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.759 -2.446 8.375 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.130 -1.572 9.099 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.213 -2.749 10.069 1.00 0.00 H new ATOM 252 N CYS A 17 -6.108 -5.390 10.145 1.00 0.00 N ATOM 253 CA CYS A 17 -7.442 -5.619 10.685 1.00 0.00 C ATOM 254 C CYS A 17 -7.730 -7.114 10.805 1.00 0.00 C ATOM 255 O CYS A 17 -8.782 -7.515 11.302 1.00 0.00 O ATOM 256 CB CYS A 17 -8.496 -4.956 9.796 1.00 0.00 C ATOM 257 SG CYS A 17 -8.654 -5.706 8.143 1.00 0.00 S ATOM 0 H CYS A 17 -6.087 -5.187 9.146 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.485 -5.176 11.680 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.462 -5.004 10.299 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.248 -3.901 9.682 1.00 0.00 H new ATOM 262 N MET A 18 -6.788 -7.931 10.345 1.00 0.00 N ATOM 263 CA MET A 18 -6.940 -9.380 10.402 1.00 0.00 C ATOM 264 C MET A 18 -8.240 -9.817 9.736 1.00 0.00 C ATOM 265 O MET A 18 -9.044 -10.531 10.334 1.00 0.00 O ATOM 266 CB MET A 18 -6.910 -9.860 11.854 1.00 0.00 C ATOM 267 CG MET A 18 -6.260 -8.871 12.808 1.00 0.00 C ATOM 268 SD MET A 18 -5.410 -9.682 14.176 1.00 0.00 S ATOM 269 CE MET A 18 -3.820 -10.031 13.427 1.00 0.00 C ATOM 0 H MET A 18 -5.912 -7.614 9.929 1.00 0.00 H new ATOM 0 HA MET A 18 -6.107 -9.829 9.861 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.930 -10.054 12.185 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.373 -10.807 11.904 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.549 -8.255 12.258 1.00 0.00 H new ATOM 0 HG3 MET A 18 -7.022 -8.201 13.205 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.179 -10.534 14.151 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.960 -10.674 12.558 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.352 -9.097 13.115 1.00 0.00 H new ATOM 279 N GLU A 19 -8.440 -9.382 8.495 1.00 0.00 N ATOM 280 CA GLU A 19 -9.645 -9.730 7.750 1.00 0.00 C ATOM 281 C GLU A 19 -9.296 -10.185 6.336 1.00 0.00 C ATOM 282 O GLU A 19 -8.125 -10.268 5.968 1.00 0.00 O ATOM 283 CB GLU A 19 -10.596 -8.533 7.692 1.00 0.00 C ATOM 284 CG GLU A 19 -10.995 -8.005 9.060 1.00 0.00 C ATOM 285 CD GLU A 19 -12.439 -8.309 9.405 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.704 -8.694 10.563 1.00 0.00 O ATOM 287 OE2 GLU A 19 -13.306 -8.164 8.517 1.00 0.00 O ATOM 0 H GLU A 19 -7.785 -8.789 7.986 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.138 -10.553 8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.122 -7.731 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.495 -8.820 7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.345 -8.442 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.838 -6.927 9.089 1.00 0.00 H new ATOM 294 N LYS A 20 -10.323 -10.484 5.548 1.00 0.00 N ATOM 295 CA LYS A 20 -10.130 -10.932 4.174 1.00 0.00 C ATOM 296 C LYS A 20 -9.769 -9.760 3.266 1.00 0.00 C ATOM 297 O LYS A 20 -10.415 -8.713 3.299 1.00 0.00 O ATOM 298 CB LYS A 20 -11.394 -11.620 3.656 1.00 0.00 C ATOM 299 CG LYS A 20 -11.409 -13.121 3.890 1.00 0.00 C ATOM 300 CD LYS A 20 -11.631 -13.884 2.595 1.00 0.00 C ATOM 301 CE LYS A 20 -12.032 -15.328 2.861 1.00 0.00 C ATOM 302 NZ LYS A 20 -11.681 -16.219 1.721 1.00 0.00 N ATOM 0 H LYS A 20 -11.299 -10.424 5.838 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.306 -11.646 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.264 -11.176 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.491 -11.426 2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.465 -13.430 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.196 -13.372 4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.407 -13.391 2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.719 -13.862 1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.536 -15.682 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.105 -15.379 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.970 -17.194 1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.174 -15.896 0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.654 -16.190 1.561 1.00 0.00 H new ATOM 316 N LEU A 21 -8.733 -9.945 2.454 1.00 0.00 N ATOM 317 CA LEU A 21 -8.286 -8.903 1.535 1.00 0.00 C ATOM 318 C LEU A 21 -9.395 -8.529 0.557 1.00 0.00 C ATOM 319 O LEU A 21 -9.284 -7.546 -0.176 1.00 0.00 O ATOM 320 CB LEU A 21 -7.049 -9.371 0.766 1.00 0.00 C ATOM 321 CG LEU A 21 -5.698 -8.963 1.357 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.569 -9.322 0.404 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.682 -7.474 1.671 1.00 0.00 C ATOM 0 H LEU A 21 -8.187 -10.806 2.413 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.030 -8.020 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.079 -10.458 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.110 -8.984 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.548 -9.511 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.616 -9.025 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.568 -10.398 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.713 -8.801 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.714 -7.201 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.854 -6.907 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.467 -7.246 2.392 1.00 0.00 H new ATOM 335 N SER A 22 -10.465 -9.318 0.552 1.00 0.00 N ATOM 336 CA SER A 22 -11.594 -9.069 -0.337 1.00 0.00 C ATOM 337 C SER A 22 -12.583 -8.098 0.299 1.00 0.00 C ATOM 338 O SER A 22 -13.055 -7.160 -0.347 1.00 0.00 O ATOM 339 CB SER A 22 -12.300 -10.384 -0.678 1.00 0.00 C ATOM 340 OG SER A 22 -12.964 -10.915 0.456 1.00 0.00 O ATOM 0 H SER A 22 -10.574 -10.135 1.153 1.00 0.00 H new ATOM 0 HA SER A 22 -11.211 -8.621 -1.254 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.020 -10.217 -1.480 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.572 -11.106 -1.048 1.00 0.00 H new ATOM 0 HG SER A 22 -13.408 -11.754 0.212 1.00 0.00 H new ATOM 346 N THR A 23 -12.894 -8.327 1.570 1.00 0.00 N ATOM 347 CA THR A 23 -13.828 -7.474 2.295 1.00 0.00 C ATOM 348 C THR A 23 -13.445 -6.004 2.164 1.00 0.00 C ATOM 349 O THR A 23 -13.893 -5.316 1.246 1.00 0.00 O ATOM 350 CB THR A 23 -13.885 -7.845 3.788 1.00 0.00 C ATOM 351 OG1 THR A 23 -14.529 -9.114 3.954 1.00 0.00 O ATOM 352 CG2 THR A 23 -14.634 -6.785 4.582 1.00 0.00 C ATOM 0 H THR A 23 -12.513 -9.097 2.120 1.00 0.00 H new ATOM 0 HA THR A 23 -14.811 -7.633 1.851 1.00 0.00 H new ATOM 0 HB THR A 23 -12.863 -7.904 4.163 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.560 -9.343 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.661 -7.070 5.634 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.126 -5.826 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.652 -6.699 4.203 1.00 0.00 H new ATOM 360 N ALA A 24 -12.614 -5.529 3.085 1.00 0.00 N ATOM 361 CA ALA A 24 -12.169 -4.141 3.070 1.00 0.00 C ATOM 362 C ALA A 24 -11.424 -3.789 4.352 1.00 0.00 C ATOM 363 O ALA A 24 -11.495 -4.517 5.343 1.00 0.00 O ATOM 364 CB ALA A 24 -13.355 -3.209 2.872 1.00 0.00 C ATOM 0 H ALA A 24 -12.235 -6.085 3.851 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.479 -4.015 2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.008 -2.176 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.842 -3.437 1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.065 -3.346 3.687 1.00 0.00 H new ATOM 370 N SER A 25 -10.710 -2.668 4.328 1.00 0.00 N ATOM 371 CA SER A 25 -9.949 -2.222 5.490 1.00 0.00 C ATOM 372 C SER A 25 -10.834 -2.163 6.730 1.00 0.00 C ATOM 373 O SER A 25 -11.887 -1.526 6.726 1.00 0.00 O ATOM 374 CB SER A 25 -9.331 -0.847 5.223 1.00 0.00 C ATOM 375 OG SER A 25 -9.529 0.022 6.325 1.00 0.00 O ATOM 0 H SER A 25 -10.642 -2.052 3.518 1.00 0.00 H new ATOM 0 HA SER A 25 -9.151 -2.943 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.264 -0.956 5.028 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.776 -0.412 4.328 1.00 0.00 H new ATOM 0 HG SER A 25 -8.779 -0.065 6.949 1.00 0.00 H new ATOM 381 N GLY A 26 -10.399 -2.833 7.793 1.00 0.00 N ATOM 382 CA GLY A 26 -11.163 -2.844 9.027 1.00 0.00 C ATOM 383 C GLY A 26 -11.120 -1.512 9.747 1.00 0.00 C ATOM 384 O GLY A 26 -12.047 -1.165 10.481 1.00 0.00 O ATOM 0 H GLY A 26 -9.531 -3.368 7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.199 -3.101 8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.774 -3.622 9.684 1.00 0.00 H new ATOM 388 N TYR A 27 -10.043 -0.764 9.542 1.00 0.00 N ATOM 389 CA TYR A 27 -9.881 0.536 10.181 1.00 0.00 C ATOM 390 C TYR A 27 -10.595 1.626 9.387 1.00 0.00 C ATOM 391 O TYR A 27 -10.583 2.797 9.769 1.00 0.00 O ATOM 392 CB TYR A 27 -8.397 0.879 10.318 1.00 0.00 C ATOM 393 CG TYR A 27 -7.632 -0.080 11.204 1.00 0.00 C ATOM 394 CD1 TYR A 27 -6.250 0.005 11.321 1.00 0.00 C ATOM 395 CD2 TYR A 27 -8.292 -1.069 11.921 1.00 0.00 C ATOM 396 CE1 TYR A 27 -5.548 -0.869 12.128 1.00 0.00 C ATOM 397 CE2 TYR A 27 -7.598 -1.947 12.731 1.00 0.00 C ATOM 398 CZ TYR A 27 -6.226 -1.843 12.831 1.00 0.00 C ATOM 399 OH TYR A 27 -5.531 -2.715 13.637 1.00 0.00 O ATOM 0 H TYR A 27 -9.268 -1.036 8.937 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.328 0.483 11.174 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.942 0.887 9.328 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.302 1.887 10.721 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.716 0.767 10.772 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.366 -1.153 11.844 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.474 -0.790 12.208 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.126 -2.710 13.283 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.157 -3.338 14.062 1.00 0.00 H new ATOM 409 N SER A 28 -11.218 1.232 8.282 1.00 0.00 N ATOM 410 CA SER A 28 -11.936 2.174 7.432 1.00 0.00 C ATOM 411 C SER A 28 -13.021 2.900 8.221 1.00 0.00 C ATOM 412 O SER A 28 -13.586 3.890 7.754 1.00 0.00 O ATOM 413 CB SER A 28 -12.558 1.446 6.238 1.00 0.00 C ATOM 414 OG SER A 28 -13.286 2.342 5.416 1.00 0.00 O ATOM 0 H SER A 28 -11.240 0.266 7.954 1.00 0.00 H new ATOM 0 HA SER A 28 -11.222 2.912 7.066 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.774 0.966 5.652 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.219 0.656 6.594 1.00 0.00 H new ATOM 0 HG SER A 28 -13.509 3.147 5.928 1.00 0.00 H new ATOM 420 N ASP A 29 -13.305 2.402 9.418 1.00 0.00 N ATOM 421 CA ASP A 29 -14.322 3.004 10.275 1.00 0.00 C ATOM 422 C ASP A 29 -13.752 4.193 11.041 1.00 0.00 C ATOM 423 O ASP A 29 -14.493 5.070 11.486 1.00 0.00 O ATOM 424 CB ASP A 29 -14.872 1.967 11.255 1.00 0.00 C ATOM 425 CG ASP A 29 -16.243 2.337 11.782 1.00 0.00 C ATOM 426 OD1 ASP A 29 -16.562 3.545 11.811 1.00 0.00 O ATOM 427 OD2 ASP A 29 -17.000 1.420 12.163 1.00 0.00 O ATOM 0 H ASP A 29 -12.847 1.583 9.818 1.00 0.00 H new ATOM 0 HA ASP A 29 -15.134 3.359 9.640 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -14.926 0.997 10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.181 1.860 12.092 1.00 0.00 H new ATOM 432 N VAL A 30 -12.432 4.216 11.192 1.00 0.00 N ATOM 433 CA VAL A 30 -11.762 5.299 11.904 1.00 0.00 C ATOM 434 C VAL A 30 -10.713 5.969 11.026 1.00 0.00 C ATOM 435 O VAL A 30 -10.147 7.000 11.390 1.00 0.00 O ATOM 436 CB VAL A 30 -11.089 4.790 13.194 1.00 0.00 C ATOM 437 CG1 VAL A 30 -9.766 4.112 12.873 1.00 0.00 C ATOM 438 CG2 VAL A 30 -10.888 5.934 14.175 1.00 0.00 C ATOM 0 H VAL A 30 -11.805 3.497 10.831 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.529 6.028 12.166 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.743 4.053 13.660 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.305 3.759 13.795 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.942 3.266 12.209 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.101 4.824 12.385 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.412 5.558 15.080 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.254 6.695 13.721 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.854 6.370 14.428 1.00 0.00 H new ATOM 448 N THR A 31 -10.455 5.376 9.863 1.00 0.00 N ATOM 449 CA THR A 31 -9.472 5.914 8.932 1.00 0.00 C ATOM 450 C THR A 31 -10.147 6.475 7.685 1.00 0.00 C ATOM 451 O THR A 31 -10.558 7.636 7.660 1.00 0.00 O ATOM 452 CB THR A 31 -8.451 4.840 8.510 1.00 0.00 C ATOM 453 OG1 THR A 31 -9.133 3.696 7.985 1.00 0.00 O ATOM 454 CG2 THR A 31 -7.585 4.424 9.689 1.00 0.00 C ATOM 0 H THR A 31 -10.914 4.523 9.545 1.00 0.00 H new ATOM 0 HA THR A 31 -8.949 6.717 9.452 1.00 0.00 H new ATOM 0 HB THR A 31 -7.808 5.264 7.739 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.024 3.632 8.389 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.872 3.665 9.367 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.045 5.292 10.068 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.217 4.017 10.478 1.00 0.00 H new ATOM 462 N ASP A 32 -10.258 5.646 6.654 1.00 0.00 N ATOM 463 CA ASP A 32 -10.885 6.059 5.404 1.00 0.00 C ATOM 464 C ASP A 32 -9.907 6.852 4.543 1.00 0.00 C ATOM 465 O ASP A 32 -10.211 7.202 3.402 1.00 0.00 O ATOM 466 CB ASP A 32 -12.131 6.900 5.688 1.00 0.00 C ATOM 467 CG ASP A 32 -13.292 6.536 4.784 1.00 0.00 C ATOM 468 OD1 ASP A 32 -14.223 7.360 4.651 1.00 0.00 O ATOM 469 OD2 ASP A 32 -13.271 5.429 4.207 1.00 0.00 O ATOM 0 H ASP A 32 -9.922 4.683 6.659 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.178 5.162 4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.428 6.765 6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.891 7.955 5.559 1.00 0.00 H new ATOM 474 N SER A 33 -8.732 7.134 5.096 1.00 0.00 N ATOM 475 CA SER A 33 -7.711 7.889 4.380 1.00 0.00 C ATOM 476 C SER A 33 -8.329 9.072 3.640 1.00 0.00 C ATOM 477 O SER A 33 -8.463 10.164 4.192 1.00 0.00 O ATOM 478 CB SER A 33 -6.975 6.983 3.391 1.00 0.00 C ATOM 479 OG SER A 33 -6.452 7.729 2.306 1.00 0.00 O ATOM 0 H SER A 33 -8.463 6.851 6.038 1.00 0.00 H new ATOM 0 HA SER A 33 -6.998 8.271 5.111 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.165 6.463 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.657 6.220 3.016 1.00 0.00 H new ATOM 0 HG SER A 33 -5.489 7.563 2.229 1.00 0.00 H new ATOM 485 N LYS A 34 -8.704 8.846 2.386 1.00 0.00 N ATOM 486 CA LYS A 34 -9.310 9.890 1.568 1.00 0.00 C ATOM 487 C LYS A 34 -9.285 9.508 0.091 1.00 0.00 C ATOM 488 O LYS A 34 -10.084 10.004 -0.702 1.00 0.00 O ATOM 489 CB LYS A 34 -8.577 11.218 1.774 1.00 0.00 C ATOM 490 CG LYS A 34 -9.337 12.203 2.645 1.00 0.00 C ATOM 491 CD LYS A 34 -9.437 13.569 1.985 1.00 0.00 C ATOM 492 CE LYS A 34 -10.631 13.650 1.047 1.00 0.00 C ATOM 493 NZ LYS A 34 -11.334 14.958 1.157 1.00 0.00 N ATOM 0 H LYS A 34 -8.599 7.948 1.913 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.349 10.003 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.605 11.021 2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.390 11.675 0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.338 11.819 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.837 12.299 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.523 14.339 2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.522 13.773 1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.297 13.502 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.327 12.843 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.142 14.974 0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.675 15.088 2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.677 15.727 0.915 1.00 0.00 H new ATOM 507 N ALA A 35 -8.363 8.622 -0.271 1.00 0.00 N ATOM 508 CA ALA A 35 -8.237 8.171 -1.651 1.00 0.00 C ATOM 509 C ALA A 35 -8.461 6.666 -1.760 1.00 0.00 C ATOM 510 O ALA A 35 -9.140 6.193 -2.671 1.00 0.00 O ATOM 511 CB ALA A 35 -6.871 8.545 -2.206 1.00 0.00 C ATOM 0 H ALA A 35 -7.692 8.202 0.373 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.006 8.670 -2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.791 8.202 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.749 9.628 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.093 8.074 -1.606 1.00 0.00 H new ATOM 517 N LEU A 36 -7.884 5.918 -0.824 1.00 0.00 N ATOM 518 CA LEU A 36 -8.020 4.466 -0.816 1.00 0.00 C ATOM 519 C LEU A 36 -9.489 4.057 -0.804 1.00 0.00 C ATOM 520 O LEU A 36 -9.887 3.116 -1.490 1.00 0.00 O ATOM 521 CB LEU A 36 -7.305 3.875 0.401 1.00 0.00 C ATOM 522 CG LEU A 36 -5.813 4.188 0.520 1.00 0.00 C ATOM 523 CD1 LEU A 36 -5.481 4.679 1.920 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.982 2.961 0.171 1.00 0.00 C ATOM 0 H LEU A 36 -7.319 6.293 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.561 4.077 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.804 4.235 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.428 2.792 0.379 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.569 4.981 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.415 4.897 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.050 5.584 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.740 3.909 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.923 3.201 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.229 2.148 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.199 2.654 -0.852 1.00 0.00 H new ATOM 536 N GLY A 37 -10.291 4.771 -0.022 1.00 0.00 N ATOM 537 CA GLY A 37 -11.709 4.468 0.062 1.00 0.00 C ATOM 538 C GLY A 37 -11.974 3.096 0.649 1.00 0.00 C ATOM 539 O GLY A 37 -13.093 2.587 0.572 1.00 0.00 O ATOM 0 H GLY A 37 -9.985 5.554 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.203 5.223 0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.149 4.525 -0.933 1.00 0.00 H new ATOM 543 N SER A 38 -10.944 2.496 1.235 1.00 0.00 N ATOM 544 CA SER A 38 -11.070 1.171 1.832 1.00 0.00 C ATOM 545 C SER A 38 -11.450 0.134 0.780 1.00 0.00 C ATOM 546 O SER A 38 -12.492 -0.517 0.880 1.00 0.00 O ATOM 547 CB SER A 38 -12.116 1.189 2.949 1.00 0.00 C ATOM 548 OG SER A 38 -12.442 -0.125 3.364 1.00 0.00 O ATOM 0 H SER A 38 -10.013 2.906 1.310 1.00 0.00 H new ATOM 0 HA SER A 38 -10.103 0.897 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.736 1.758 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.015 1.697 2.601 1.00 0.00 H new ATOM 0 HG SER A 38 -13.111 -0.086 4.079 1.00 0.00 H new ATOM 554 N LEU A 39 -10.600 -0.014 -0.229 1.00 0.00 N ATOM 555 CA LEU A 39 -10.846 -0.971 -1.302 1.00 0.00 C ATOM 556 C LEU A 39 -9.691 -0.981 -2.299 1.00 0.00 C ATOM 557 O LEU A 39 -9.886 -0.751 -3.492 1.00 0.00 O ATOM 558 CB LEU A 39 -12.153 -0.636 -2.023 1.00 0.00 C ATOM 559 CG LEU A 39 -12.153 0.649 -2.852 1.00 0.00 C ATOM 560 CD1 LEU A 39 -12.370 0.335 -4.323 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.220 1.608 -2.346 1.00 0.00 C ATOM 0 H LEU A 39 -9.734 0.516 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.927 -1.963 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.406 -1.468 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.947 -0.565 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.180 1.129 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.367 1.262 -4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.570 -0.315 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.329 -0.167 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.206 2.517 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.200 1.136 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.020 1.859 -1.304 1.00 0.00 H new ATOM 573 N ALA A 40 -8.488 -1.249 -1.802 1.00 0.00 N ATOM 574 CA ALA A 40 -7.303 -1.292 -2.648 1.00 0.00 C ATOM 575 C ALA A 40 -6.275 -2.280 -2.105 1.00 0.00 C ATOM 576 O ALA A 40 -5.599 -2.005 -1.113 1.00 0.00 O ATOM 577 CB ALA A 40 -6.690 0.096 -2.771 1.00 0.00 C ATOM 0 H ALA A 40 -8.309 -1.440 -0.816 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.607 -1.632 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.805 0.048 -3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.417 0.777 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.408 0.458 -1.782 1.00 0.00 H new ATOM 583 N VAL A 41 -6.164 -3.431 -2.760 1.00 0.00 N ATOM 584 CA VAL A 41 -5.218 -4.460 -2.343 1.00 0.00 C ATOM 585 C VAL A 41 -3.984 -4.466 -3.237 1.00 0.00 C ATOM 586 O VAL A 41 -4.086 -4.615 -4.454 1.00 0.00 O ATOM 587 CB VAL A 41 -5.864 -5.858 -2.367 1.00 0.00 C ATOM 588 CG1 VAL A 41 -4.912 -6.896 -1.791 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.181 -5.850 -1.605 1.00 0.00 C ATOM 0 H VAL A 41 -6.717 -3.675 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.921 -4.223 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.072 -6.125 -3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.385 -7.877 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.997 -6.919 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.670 -6.636 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.623 -6.846 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.000 -5.562 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.864 -5.137 -2.066 1.00 0.00 H new ATOM 599 N GLY A 42 -2.815 -4.305 -2.624 1.00 0.00 N ATOM 600 CA GLY A 42 -1.576 -4.297 -3.380 1.00 0.00 C ATOM 601 C GLY A 42 -0.396 -4.788 -2.565 1.00 0.00 C ATOM 602 O GLY A 42 -0.233 -4.409 -1.405 1.00 0.00 O ATOM 0 H GLY A 42 -2.704 -4.180 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.689 -4.925 -4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.375 -3.285 -3.731 1.00 0.00 H new ATOM 606 N HIS A 43 0.428 -5.636 -3.172 1.00 0.00 N ATOM 607 CA HIS A 43 1.598 -6.182 -2.494 1.00 0.00 C ATOM 608 C HIS A 43 2.815 -5.286 -2.705 1.00 0.00 C ATOM 609 O HIS A 43 3.421 -5.286 -3.778 1.00 0.00 O ATOM 610 CB HIS A 43 1.897 -7.593 -3.001 1.00 0.00 C ATOM 611 CG HIS A 43 1.876 -7.710 -4.494 1.00 0.00 C ATOM 612 ND1 HIS A 43 1.994 -6.624 -5.336 1.00 0.00 N ATOM 613 CD2 HIS A 43 1.754 -8.793 -5.297 1.00 0.00 C ATOM 614 CE1 HIS A 43 1.944 -7.033 -6.591 1.00 0.00 C ATOM 615 NE2 HIS A 43 1.798 -8.346 -6.594 1.00 0.00 N ATOM 0 H HIS A 43 0.307 -5.960 -4.132 1.00 0.00 H new ATOM 0 HA HIS A 43 1.380 -6.226 -1.427 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.876 -7.902 -2.634 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.166 -8.284 -2.580 1.00 0.00 H new ATOM 0 HD1 HIS A 43 2.103 -5.655 -5.036 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.643 -9.818 -4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.011 -6.402 -7.465 1.00 0.00 H new ATOM 623 N LEU A 44 3.168 -4.522 -1.677 1.00 0.00 N ATOM 624 CA LEU A 44 4.312 -3.621 -1.749 1.00 0.00 C ATOM 625 C LEU A 44 5.413 -4.209 -2.626 1.00 0.00 C ATOM 626 O LEU A 44 5.935 -5.288 -2.347 1.00 0.00 O ATOM 627 CB LEU A 44 4.856 -3.341 -0.347 1.00 0.00 C ATOM 628 CG LEU A 44 4.899 -1.872 0.074 1.00 0.00 C ATOM 629 CD1 LEU A 44 4.885 -1.751 1.591 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.128 -1.187 -0.505 1.00 0.00 C ATOM 0 H LEU A 44 2.677 -4.509 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 44 3.978 -2.684 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.247 -3.887 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.866 -3.746 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 44 4.012 -1.375 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.916 -0.698 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.975 -2.205 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.754 -2.263 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.142 -0.142 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.027 -1.685 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.097 -1.242 -1.593 1.00 0.00 H new ATOM 642 N THR A 45 5.764 -3.489 -3.687 1.00 0.00 N ATOM 643 CA THR A 45 6.804 -3.937 -4.605 1.00 0.00 C ATOM 644 C THR A 45 8.158 -4.014 -3.907 1.00 0.00 C ATOM 645 O THR A 45 9.120 -4.555 -4.452 1.00 0.00 O ATOM 646 CB THR A 45 6.921 -3.002 -5.823 1.00 0.00 C ATOM 647 OG1 THR A 45 7.594 -1.794 -5.450 1.00 0.00 O ATOM 648 CG2 THR A 45 5.546 -2.670 -6.384 1.00 0.00 C ATOM 0 H THR A 45 5.343 -2.593 -3.932 1.00 0.00 H new ATOM 0 HA THR A 45 6.516 -4.931 -4.946 1.00 0.00 H new ATOM 0 HB THR A 45 7.496 -3.515 -6.594 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.977 -1.215 -4.955 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.654 -2.008 -7.244 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.048 -3.589 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.950 -2.175 -5.617 1.00 0.00 H new ATOM 656 N LYS A 46 8.225 -3.471 -2.696 1.00 0.00 N ATOM 657 CA LYS A 46 9.460 -3.479 -1.921 1.00 0.00 C ATOM 658 C LYS A 46 9.751 -4.875 -1.378 1.00 0.00 C ATOM 659 O LYS A 46 10.708 -5.528 -1.798 1.00 0.00 O ATOM 660 CB LYS A 46 9.369 -2.481 -0.766 1.00 0.00 C ATOM 661 CG LYS A 46 9.546 -1.034 -1.198 1.00 0.00 C ATOM 662 CD LYS A 46 10.647 -0.348 -0.408 1.00 0.00 C ATOM 663 CE LYS A 46 10.143 0.139 0.943 1.00 0.00 C ATOM 664 NZ LYS A 46 9.277 1.343 0.811 1.00 0.00 N ATOM 0 H LYS A 46 7.438 -3.020 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 46 10.276 -3.186 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.401 -2.590 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.129 -2.726 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.783 -0.997 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.609 -0.495 -1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.476 -1.040 -0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.034 0.496 -0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.583 -0.659 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.993 0.371 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.051 1.714 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.777 2.072 0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.397 1.085 0.321 1.00 0.00 H new ATOM 678 N CYS A 47 8.922 -5.327 -0.444 1.00 0.00 N ATOM 679 CA CYS A 47 9.090 -6.645 0.156 1.00 0.00 C ATOM 680 C CYS A 47 8.199 -7.674 -0.534 1.00 0.00 C ATOM 681 O CYS A 47 8.401 -8.879 -0.392 1.00 0.00 O ATOM 682 CB CYS A 47 8.764 -6.593 1.650 1.00 0.00 C ATOM 683 SG CYS A 47 7.072 -6.028 2.024 1.00 0.00 S ATOM 0 H CYS A 47 8.126 -4.799 -0.086 1.00 0.00 H new ATOM 0 HA CYS A 47 10.130 -6.946 0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.906 -7.586 2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.474 -5.929 2.143 1.00 0.00 H new ATOM 688 N SER A 48 7.214 -7.189 -1.283 1.00 0.00 N ATOM 689 CA SER A 48 6.290 -8.065 -1.992 1.00 0.00 C ATOM 690 C SER A 48 5.531 -8.960 -1.016 1.00 0.00 C ATOM 691 O SER A 48 5.759 -10.168 -0.957 1.00 0.00 O ATOM 692 CB SER A 48 7.047 -8.925 -3.007 1.00 0.00 C ATOM 693 OG SER A 48 8.448 -8.780 -2.852 1.00 0.00 O ATOM 0 H SER A 48 7.036 -6.193 -1.414 1.00 0.00 H new ATOM 0 HA SER A 48 5.569 -7.441 -2.520 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.770 -9.972 -2.880 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.758 -8.639 -4.018 1.00 0.00 H new ATOM 0 HG SER A 48 8.741 -9.270 -2.056 1.00 0.00 H new ATOM 699 N HIS A 49 4.626 -8.356 -0.252 1.00 0.00 N ATOM 700 CA HIS A 49 3.832 -9.097 0.722 1.00 0.00 C ATOM 701 C HIS A 49 2.352 -9.062 0.355 1.00 0.00 C ATOM 702 O HIS A 49 1.903 -9.796 -0.524 1.00 0.00 O ATOM 703 CB HIS A 49 4.036 -8.520 2.123 1.00 0.00 C ATOM 704 CG HIS A 49 5.407 -8.761 2.676 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.696 -8.706 4.024 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.572 -9.060 2.056 1.00 0.00 C ATOM 707 CE1 HIS A 49 6.979 -8.959 4.208 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.534 -9.179 3.030 1.00 0.00 N ATOM 0 H HIS A 49 4.424 -7.357 -0.288 1.00 0.00 H new ATOM 0 HA HIS A 49 4.166 -10.134 0.713 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.848 -7.447 2.096 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.299 -8.956 2.798 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.719 -9.182 0.993 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.488 -8.982 5.160 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.516 -9.401 2.869 1.00 0.00 H new ATOM 716 N ALA A 50 1.598 -8.205 1.037 1.00 0.00 N ATOM 717 CA ALA A 50 0.169 -8.074 0.781 1.00 0.00 C ATOM 718 C ALA A 50 -0.549 -7.469 1.983 1.00 0.00 C ATOM 719 O ALA A 50 -0.334 -7.884 3.121 1.00 0.00 O ATOM 720 CB ALA A 50 -0.431 -9.427 0.431 1.00 0.00 C ATOM 0 H ALA A 50 1.953 -7.592 1.770 1.00 0.00 H new ATOM 0 HA ALA A 50 0.036 -7.401 -0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.499 -9.314 0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.055 -9.821 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.280 -10.117 1.261 1.00 0.00 H new ATOM 726 N PHE A 51 -1.404 -6.485 1.722 1.00 0.00 N ATOM 727 CA PHE A 51 -2.153 -5.822 2.782 1.00 0.00 C ATOM 728 C PHE A 51 -3.077 -4.751 2.208 1.00 0.00 C ATOM 729 O PHE A 51 -3.096 -4.516 0.999 1.00 0.00 O ATOM 730 CB PHE A 51 -1.195 -5.194 3.796 1.00 0.00 C ATOM 731 CG PHE A 51 0.247 -5.258 3.379 1.00 0.00 C ATOM 732 CD1 PHE A 51 1.148 -6.044 4.078 1.00 0.00 C ATOM 733 CD2 PHE A 51 0.700 -4.533 2.290 1.00 0.00 C ATOM 734 CE1 PHE A 51 2.476 -6.107 3.697 1.00 0.00 C ATOM 735 CE2 PHE A 51 2.026 -4.591 1.904 1.00 0.00 C ATOM 736 CZ PHE A 51 2.915 -5.378 2.609 1.00 0.00 C ATOM 0 H PHE A 51 -1.595 -6.130 0.785 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.763 -6.572 3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.474 -4.152 3.950 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.310 -5.700 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.810 -6.614 4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.009 -3.915 1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.169 -6.725 4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.366 -4.021 1.052 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.952 -5.423 2.310 1.00 0.00 H new ATOM 746 N HIS A 52 -3.841 -4.107 3.082 1.00 0.00 N ATOM 747 CA HIS A 52 -4.768 -3.061 2.664 1.00 0.00 C ATOM 748 C HIS A 52 -4.077 -1.701 2.636 1.00 0.00 C ATOM 749 O HIS A 52 -3.846 -1.090 3.680 1.00 0.00 O ATOM 750 CB HIS A 52 -5.975 -3.014 3.602 1.00 0.00 C ATOM 751 CG HIS A 52 -6.945 -4.134 3.386 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.450 -4.901 4.414 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.506 -4.614 2.251 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.278 -5.805 3.921 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.329 -5.652 2.610 1.00 0.00 N ATOM 0 H HIS A 52 -3.837 -4.290 4.085 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.110 -3.296 1.656 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.624 -3.042 4.634 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.493 -2.065 3.467 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.337 -4.248 1.249 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.821 -6.543 4.493 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.889 -6.214 1.969 1.00 0.00 H new ATOM 763 N LEU A 53 -3.748 -1.234 1.437 1.00 0.00 N ATOM 764 CA LEU A 53 -3.082 0.053 1.273 1.00 0.00 C ATOM 765 C LEU A 53 -3.595 1.065 2.293 1.00 0.00 C ATOM 766 O LEU A 53 -2.865 1.966 2.710 1.00 0.00 O ATOM 767 CB LEU A 53 -3.300 0.585 -0.144 1.00 0.00 C ATOM 768 CG LEU A 53 -2.724 -0.265 -1.276 1.00 0.00 C ATOM 769 CD1 LEU A 53 -3.411 0.063 -2.593 1.00 0.00 C ATOM 770 CD2 LEU A 53 -1.221 -0.056 -1.390 1.00 0.00 C ATOM 0 H LEU A 53 -3.932 -1.728 0.564 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.015 -0.094 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.372 0.695 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.864 1.582 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.908 -1.314 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.988 -0.552 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.479 -0.140 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.260 1.116 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.829 -0.669 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.014 0.994 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.742 -0.343 -0.454 1.00 0.00 H new ATOM 782 N LEU A 54 -4.852 0.910 2.693 1.00 0.00 N ATOM 783 CA LEU A 54 -5.463 1.808 3.666 1.00 0.00 C ATOM 784 C LEU A 54 -5.009 1.467 5.082 1.00 0.00 C ATOM 785 O LEU A 54 -4.279 2.231 5.712 1.00 0.00 O ATOM 786 CB LEU A 54 -6.988 1.732 3.574 1.00 0.00 C ATOM 787 CG LEU A 54 -7.757 2.131 4.834 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.073 3.299 5.528 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.197 2.483 4.491 1.00 0.00 C ATOM 0 H LEU A 54 -5.469 0.170 2.358 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.143 2.824 3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.315 2.373 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.266 0.711 3.311 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.764 1.281 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.634 3.570 6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.059 3.013 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.035 4.153 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.729 2.764 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.210 3.317 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.684 1.620 4.038 1.00 0.00 H new ATOM 801 N CYS A 55 -5.445 0.312 5.574 1.00 0.00 N ATOM 802 CA CYS A 55 -5.084 -0.134 6.915 1.00 0.00 C ATOM 803 C CYS A 55 -3.656 0.282 7.259 1.00 0.00 C ATOM 804 O CYS A 55 -3.365 0.661 8.394 1.00 0.00 O ATOM 805 CB CYS A 55 -5.225 -1.653 7.026 1.00 0.00 C ATOM 806 SG CYS A 55 -6.948 -2.234 7.129 1.00 0.00 S ATOM 0 H CYS A 55 -6.049 -0.332 5.064 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.763 0.339 7.624 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.748 -2.116 6.162 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.684 -1.994 7.909 1.00 0.00 H new ATOM 811 N LEU A 56 -2.770 0.209 6.272 1.00 0.00 N ATOM 812 CA LEU A 56 -1.372 0.577 6.469 1.00 0.00 C ATOM 813 C LEU A 56 -1.220 2.090 6.594 1.00 0.00 C ATOM 814 O LEU A 56 -0.609 2.588 7.540 1.00 0.00 O ATOM 815 CB LEU A 56 -0.520 0.062 5.308 1.00 0.00 C ATOM 816 CG LEU A 56 -0.425 -1.458 5.168 1.00 0.00 C ATOM 817 CD1 LEU A 56 -1.634 -2.129 5.802 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.301 -1.852 3.704 1.00 0.00 C ATOM 0 H LEU A 56 -2.995 -0.102 5.327 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.028 0.118 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.923 0.468 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.489 0.460 5.419 1.00 0.00 H new ATOM 0 HG LEU A 56 0.469 -1.797 5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.549 -3.210 5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.678 -1.874 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.542 -1.785 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.235 -2.937 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.176 -1.501 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.597 -1.401 3.281 1.00 0.00 H new ATOM 830 N LEU A 57 -1.782 2.817 5.634 1.00 0.00 N ATOM 831 CA LEU A 57 -1.711 4.274 5.637 1.00 0.00 C ATOM 832 C LEU A 57 -1.877 4.824 7.050 1.00 0.00 C ATOM 833 O LEU A 57 -1.404 5.917 7.360 1.00 0.00 O ATOM 834 CB LEU A 57 -2.787 4.858 4.719 1.00 0.00 C ATOM 835 CG LEU A 57 -2.360 6.044 3.855 1.00 0.00 C ATOM 836 CD1 LEU A 57 -1.420 6.957 4.627 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.702 5.559 2.572 1.00 0.00 C ATOM 0 H LEU A 57 -2.292 2.421 4.844 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.729 4.567 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.145 4.065 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.632 5.168 5.334 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.250 6.615 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.127 7.796 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.926 7.332 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.532 6.398 4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.404 6.417 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.822 4.965 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.408 4.948 2.010 1.00 0.00 H new ATOM 849 N ALA A 58 -2.551 4.058 7.902 1.00 0.00 N ATOM 850 CA ALA A 58 -2.775 4.467 9.283 1.00 0.00 C ATOM 851 C ALA A 58 -1.519 4.271 10.124 1.00 0.00 C ATOM 852 O ALA A 58 -0.927 5.237 10.607 1.00 0.00 O ATOM 853 CB ALA A 58 -3.938 3.691 9.881 1.00 0.00 C ATOM 0 H ALA A 58 -2.951 3.151 7.660 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.021 5.529 9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.094 4.007 10.913 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.841 3.885 9.302 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.714 2.625 9.858 1.00 0.00 H new ATOM 859 N MET A 59 -1.117 3.017 10.297 1.00 0.00 N ATOM 860 CA MET A 59 0.070 2.695 11.080 1.00 0.00 C ATOM 861 C MET A 59 1.335 3.161 10.366 1.00 0.00 C ATOM 862 O MET A 59 2.428 3.123 10.931 1.00 0.00 O ATOM 863 CB MET A 59 0.144 1.190 11.343 1.00 0.00 C ATOM 864 CG MET A 59 -0.268 0.345 10.148 1.00 0.00 C ATOM 865 SD MET A 59 0.884 -1.002 9.818 1.00 0.00 S ATOM 866 CE MET A 59 1.523 -0.517 8.218 1.00 0.00 C ATOM 0 H MET A 59 -1.596 2.206 9.905 1.00 0.00 H new ATOM 0 HA MET A 59 -0.003 3.219 12.033 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.163 0.929 11.629 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.497 0.945 12.190 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.261 -0.067 10.325 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.339 0.981 9.266 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.546 -0.877 8.110 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.902 -0.948 7.432 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.511 0.570 8.135 1.00 0.00 H new ATOM 876 N TYR A 60 1.180 3.598 9.122 1.00 0.00 N ATOM 877 CA TYR A 60 2.310 4.067 8.329 1.00 0.00 C ATOM 878 C TYR A 60 2.930 5.315 8.951 1.00 0.00 C ATOM 879 O TYR A 60 4.090 5.641 8.693 1.00 0.00 O ATOM 880 CB TYR A 60 1.866 4.366 6.896 1.00 0.00 C ATOM 881 CG TYR A 60 2.187 5.773 6.444 1.00 0.00 C ATOM 882 CD1 TYR A 60 3.127 6.006 5.447 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.549 6.868 7.012 1.00 0.00 C ATOM 884 CE1 TYR A 60 3.422 7.290 5.030 1.00 0.00 C ATOM 885 CE2 TYR A 60 1.838 8.155 6.602 1.00 0.00 C ATOM 886 CZ TYR A 60 2.775 8.361 5.610 1.00 0.00 C ATOM 887 OH TYR A 60 3.066 9.641 5.200 1.00 0.00 O ATOM 0 H TYR A 60 0.282 3.637 8.640 1.00 0.00 H new ATOM 0 HA TYR A 60 3.062 3.278 8.312 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.346 3.658 6.221 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.791 4.204 6.816 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.635 5.170 4.991 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.814 6.711 7.788 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.155 7.454 4.254 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.333 8.995 7.055 1.00 0.00 H new ATOM 0 HH TYR A 60 2.522 10.279 5.708 1.00 0.00 H new ATOM 897 N CYS A 61 2.151 6.009 9.773 1.00 0.00 N ATOM 898 CA CYS A 61 2.622 7.221 10.433 1.00 0.00 C ATOM 899 C CYS A 61 3.817 6.921 11.331 1.00 0.00 C ATOM 900 O CYS A 61 4.465 7.833 11.843 1.00 0.00 O ATOM 901 CB CYS A 61 1.496 7.850 11.254 1.00 0.00 C ATOM 902 SG CYS A 61 1.513 7.392 13.002 1.00 0.00 S ATOM 0 H CYS A 61 1.190 5.753 9.998 1.00 0.00 H new ATOM 0 HA CYS A 61 2.937 7.926 9.663 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.564 8.935 11.173 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.539 7.558 10.822 1.00 0.00 H new ATOM 0 HG CYS A 61 0.525 7.975 13.613 1.00 0.00 H new ATOM 908 N ASN A 62 4.101 5.637 11.520 1.00 0.00 N ATOM 909 CA ASN A 62 5.217 5.217 12.360 1.00 0.00 C ATOM 910 C ASN A 62 6.492 5.065 11.535 1.00 0.00 C ATOM 911 O ASN A 62 7.523 5.654 11.852 1.00 0.00 O ATOM 912 CB ASN A 62 4.888 3.896 13.057 1.00 0.00 C ATOM 913 CG ASN A 62 4.482 4.092 14.505 1.00 0.00 C ATOM 914 OD1 ASN A 62 4.645 5.177 15.066 1.00 0.00 O ATOM 915 ND2 ASN A 62 3.951 3.042 15.119 1.00 0.00 N ATOM 0 H ASN A 62 3.574 4.869 11.103 1.00 0.00 H new ATOM 0 HA ASN A 62 5.382 5.987 13.113 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.081 3.396 12.521 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.756 3.238 13.012 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.660 3.115 16.094 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.834 2.162 14.616 1.00 0.00 H new ATOM 922 N GLY A 63 6.411 4.270 10.471 1.00 0.00 N ATOM 923 CA GLY A 63 7.563 4.056 9.616 1.00 0.00 C ATOM 924 C GLY A 63 7.214 4.127 8.144 1.00 0.00 C ATOM 925 O GLY A 63 6.126 4.568 7.777 1.00 0.00 O ATOM 0 H GLY A 63 5.568 3.771 10.187 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.323 4.804 9.842 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.999 3.081 9.836 1.00 0.00 H new ATOM 929 N ASN A 64 8.141 3.694 7.295 1.00 0.00 N ATOM 930 CA ASN A 64 7.926 3.714 5.852 1.00 0.00 C ATOM 931 C ASN A 64 7.182 4.977 5.430 1.00 0.00 C ATOM 932 O ASN A 64 6.353 4.947 4.521 1.00 0.00 O ATOM 933 CB ASN A 64 7.141 2.475 5.416 1.00 0.00 C ATOM 934 CG ASN A 64 7.495 2.032 4.010 1.00 0.00 C ATOM 935 OD1 ASN A 64 8.142 2.764 3.261 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.070 0.828 3.644 1.00 0.00 N ATOM 0 H ASN A 64 9.048 3.325 7.581 1.00 0.00 H new ATOM 0 HA ASN A 64 8.901 3.709 5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.339 1.659 6.112 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.073 2.687 5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.277 0.476 2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.537 0.255 4.298 1.00 0.00 H new ATOM 943 N LYS A 65 7.483 6.085 6.098 1.00 0.00 N ATOM 944 CA LYS A 65 6.845 7.360 5.792 1.00 0.00 C ATOM 945 C LYS A 65 7.575 8.076 4.660 1.00 0.00 C ATOM 946 O LYS A 65 8.332 9.018 4.894 1.00 0.00 O ATOM 947 CB LYS A 65 6.814 8.250 7.036 1.00 0.00 C ATOM 948 CG LYS A 65 5.508 9.004 7.213 1.00 0.00 C ATOM 949 CD LYS A 65 5.399 9.614 8.600 1.00 0.00 C ATOM 950 CE LYS A 65 5.895 11.051 8.618 1.00 0.00 C ATOM 951 NZ LYS A 65 7.291 11.150 9.127 1.00 0.00 N ATOM 0 H LYS A 65 8.165 6.126 6.855 1.00 0.00 H new ATOM 0 HA LYS A 65 5.823 7.158 5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.990 7.634 7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.633 8.967 6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.437 9.791 6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.670 8.327 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.361 9.582 8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.978 9.019 9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.846 11.465 7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.237 11.654 9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.592 12.145 9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.334 10.779 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.924 10.595 8.516 1.00 0.00 H new ATOM 965 N ASP A 66 7.341 7.625 3.432 1.00 0.00 N ATOM 966 CA ASP A 66 7.974 8.224 2.264 1.00 0.00 C ATOM 967 C ASP A 66 6.937 8.891 1.366 1.00 0.00 C ATOM 968 O ASP A 66 7.195 9.938 0.774 1.00 0.00 O ATOM 969 CB ASP A 66 8.744 7.164 1.474 1.00 0.00 C ATOM 970 CG ASP A 66 10.016 7.712 0.858 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.073 8.932 0.600 1.00 0.00 O ATOM 972 OD2 ASP A 66 10.956 6.920 0.634 1.00 0.00 O ATOM 0 H ASP A 66 6.717 6.846 3.220 1.00 0.00 H new ATOM 0 HA ASP A 66 8.672 8.986 2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.992 6.332 2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.104 6.766 0.686 1.00 0.00 H new ATOM 977 N GLY A 67 5.762 8.275 1.268 1.00 0.00 N ATOM 978 CA GLY A 67 4.704 8.822 0.440 1.00 0.00 C ATOM 979 C GLY A 67 3.704 7.770 0.006 1.00 0.00 C ATOM 980 O GLY A 67 3.153 7.841 -1.094 1.00 0.00 O ATOM 0 H GLY A 67 5.525 7.407 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.185 9.607 0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.142 9.288 -0.443 1.00 0.00 H new ATOM 984 N SER A 68 3.468 6.787 0.870 1.00 0.00 N ATOM 985 CA SER A 68 2.531 5.712 0.569 1.00 0.00 C ATOM 986 C SER A 68 1.978 5.097 1.851 1.00 0.00 C ATOM 987 O SER A 68 0.927 5.508 2.347 1.00 0.00 O ATOM 988 CB SER A 68 3.214 4.632 -0.273 1.00 0.00 C ATOM 989 OG SER A 68 3.535 5.121 -1.564 1.00 0.00 O ATOM 0 H SER A 68 3.914 6.714 1.785 1.00 0.00 H new ATOM 0 HA SER A 68 1.702 6.136 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.122 4.295 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.558 3.766 -0.361 1.00 0.00 H new ATOM 0 HG SER A 68 4.486 4.968 -1.745 1.00 0.00 H new ATOM 995 N LEU A 69 2.692 4.113 2.384 1.00 0.00 N ATOM 996 CA LEU A 69 2.274 3.440 3.608 1.00 0.00 C ATOM 997 C LEU A 69 3.406 2.590 4.177 1.00 0.00 C ATOM 998 O LEU A 69 4.531 2.628 3.681 1.00 0.00 O ATOM 999 CB LEU A 69 1.048 2.565 3.341 1.00 0.00 C ATOM 1000 CG LEU A 69 1.142 1.628 2.136 1.00 0.00 C ATOM 1001 CD1 LEU A 69 0.687 2.339 0.870 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.563 1.107 1.975 1.00 0.00 C ATOM 0 H LEU A 69 3.564 3.763 1.987 1.00 0.00 H new ATOM 0 HA LEU A 69 2.014 4.204 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.855 1.964 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.185 3.216 3.203 1.00 0.00 H new ATOM 0 HG LEU A 69 0.482 0.778 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.761 1.657 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.347 2.663 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.321 3.208 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.611 0.442 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.243 1.945 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.854 0.560 2.872 1.00 0.00 H new ATOM 1014 N GLN A 70 3.098 1.822 5.217 1.00 0.00 N ATOM 1015 CA GLN A 70 4.090 0.961 5.851 1.00 0.00 C ATOM 1016 C GLN A 70 3.621 -0.491 5.865 1.00 0.00 C ATOM 1017 O GLN A 70 2.425 -0.769 5.776 1.00 0.00 O ATOM 1018 CB GLN A 70 4.369 1.433 7.279 1.00 0.00 C ATOM 1019 CG GLN A 70 5.423 0.608 7.997 1.00 0.00 C ATOM 1020 CD GLN A 70 5.820 1.204 9.333 1.00 0.00 C ATOM 1021 OE1 GLN A 70 5.167 2.118 9.837 1.00 0.00 O ATOM 1022 NE2 GLN A 70 6.897 0.688 9.916 1.00 0.00 N ATOM 0 H GLN A 70 2.170 1.778 5.638 1.00 0.00 H new ATOM 0 HA GLN A 70 5.010 1.021 5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.691 2.474 7.252 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.442 1.400 7.851 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.045 -0.402 8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.306 0.524 7.364 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.409 -0.069 9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.212 1.049 10.817 1.00 0.00 H new ATOM 1031 N CYS A 71 4.571 -1.413 5.977 1.00 0.00 N ATOM 1032 CA CYS A 71 4.257 -2.835 6.002 1.00 0.00 C ATOM 1033 C CYS A 71 4.284 -3.374 7.430 1.00 0.00 C ATOM 1034 O CYS A 71 5.322 -3.396 8.092 1.00 0.00 O ATOM 1035 CB CYS A 71 5.247 -3.615 5.133 1.00 0.00 C ATOM 1036 SG CYS A 71 5.133 -5.423 5.315 1.00 0.00 S ATOM 0 H CYS A 71 5.566 -1.200 6.052 1.00 0.00 H new ATOM 0 HA CYS A 71 3.252 -2.965 5.601 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.080 -3.355 4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.260 -3.299 5.382 1.00 0.00 H new ATOM 1041 N PRO A 72 3.116 -3.819 7.916 1.00 0.00 N ATOM 1042 CA PRO A 72 2.980 -4.366 9.270 1.00 0.00 C ATOM 1043 C PRO A 72 3.670 -5.717 9.422 1.00 0.00 C ATOM 1044 O PRO A 72 3.823 -6.226 10.532 1.00 0.00 O ATOM 1045 CB PRO A 72 1.465 -4.516 9.441 1.00 0.00 C ATOM 1046 CG PRO A 72 0.940 -4.658 8.054 1.00 0.00 C ATOM 1047 CD PRO A 72 1.839 -3.823 7.183 1.00 0.00 C ATOM 0 HA PRO A 72 3.446 -3.724 10.018 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.219 -5.387 10.048 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.035 -3.648 9.940 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.950 -5.701 7.738 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.093 -4.315 7.991 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.948 -4.254 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.448 -2.814 7.052 1.00 0.00 H new ATOM 1055 N SER A 73 4.085 -6.293 8.298 1.00 0.00 N ATOM 1056 CA SER A 73 4.755 -7.588 8.306 1.00 0.00 C ATOM 1057 C SER A 73 6.237 -7.430 8.633 1.00 0.00 C ATOM 1058 O SER A 73 6.669 -7.686 9.757 1.00 0.00 O ATOM 1059 CB SER A 73 4.591 -8.280 6.951 1.00 0.00 C ATOM 1060 OG SER A 73 3.841 -9.476 7.077 1.00 0.00 O ATOM 0 H SER A 73 3.969 -5.884 7.371 1.00 0.00 H new ATOM 0 HA SER A 73 4.293 -8.204 9.078 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.093 -7.607 6.253 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.572 -8.505 6.533 1.00 0.00 H new ATOM 0 HG SER A 73 3.749 -9.898 6.198 1.00 0.00 H new ATOM 1066 N CYS A 74 7.013 -7.005 7.641 1.00 0.00 N ATOM 1067 CA CYS A 74 8.447 -6.812 7.820 1.00 0.00 C ATOM 1068 C CYS A 74 8.786 -5.328 7.932 1.00 0.00 C ATOM 1069 O CYS A 74 9.807 -4.872 7.416 1.00 0.00 O ATOM 1070 CB CYS A 74 9.216 -7.436 6.655 1.00 0.00 C ATOM 1071 SG CYS A 74 8.948 -6.603 5.056 1.00 0.00 S ATOM 0 H CYS A 74 6.672 -6.788 6.704 1.00 0.00 H new ATOM 0 HA CYS A 74 8.742 -7.305 8.746 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.281 -7.420 6.887 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.926 -8.482 6.561 1.00 0.00 H new ATOM 1076 N LYS A 75 7.924 -4.580 8.611 1.00 0.00 N ATOM 1077 CA LYS A 75 8.131 -3.147 8.794 1.00 0.00 C ATOM 1078 C LYS A 75 8.724 -2.520 7.537 1.00 0.00 C ATOM 1079 O LYS A 75 9.474 -1.546 7.611 1.00 0.00 O ATOM 1080 CB LYS A 75 9.053 -2.893 9.987 1.00 0.00 C ATOM 1081 CG LYS A 75 9.914 -4.089 10.357 1.00 0.00 C ATOM 1082 CD LYS A 75 9.075 -5.230 10.906 1.00 0.00 C ATOM 1083 CE LYS A 75 9.477 -5.583 12.331 1.00 0.00 C ATOM 1084 NZ LYS A 75 8.721 -6.758 12.846 1.00 0.00 N ATOM 0 H LYS A 75 7.074 -4.942 9.044 1.00 0.00 H new ATOM 0 HA LYS A 75 7.162 -2.686 8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.701 -2.046 9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.448 -2.611 10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.463 -4.429 9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.654 -3.790 11.099 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.021 -4.952 10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.188 -6.106 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.546 -5.796 12.365 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.302 -4.725 12.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.024 -6.966 13.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.703 -6.546 12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.908 -7.583 12.241 1.00 0.00 H new ATOM 1098 N THR A 76 8.381 -3.081 6.381 1.00 0.00 N ATOM 1099 CA THR A 76 8.879 -2.575 5.108 1.00 0.00 C ATOM 1100 C THR A 76 8.369 -1.165 4.840 1.00 0.00 C ATOM 1101 O THR A 76 8.403 -0.331 5.743 1.00 0.00 O ATOM 1102 CB THR A 76 8.464 -3.490 3.940 1.00 0.00 C ATOM 1103 OG1 THR A 76 9.628 -3.975 3.261 1.00 0.00 O ATOM 1104 CG2 THR A 76 7.573 -2.745 2.958 1.00 0.00 C ATOM 0 H THR A 76 7.760 -3.886 6.301 1.00 0.00 H new ATOM 0 HA THR A 76 9.967 -2.557 5.178 1.00 0.00 H new ATOM 0 HB THR A 76 7.904 -4.331 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.603 -3.689 2.324 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.293 -3.412 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.674 -2.402 3.470 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.112 -1.887 2.556 1.00 0.00 H new TER 1112 THR A 76 HETATM 1113 ZN ZN A 201 -7.247 -4.509 6.724 1.00 0.00 ZN HETATM 1114 ZN ZN A 202 6.776 -6.657 4.245 1.00 0.00 ZN