USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 566 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 CYS SG : rot 128:sc= -2.3! USER MOD Set 1.2: A 71 TYR OH : rot -54:sc= -2.19! USER MOD Set 1.3: A 80 HIS : no HE2:sc= -19.4! C(o=-25!,f=-40!) USER MOD Set 1.4: A 85 HIS : no HD1:sc= -1.13 K(o=-25,f=-26) USER MOD Set 2.1: A 14 TYR OH : rot 0:sc= -0.606 USER MOD Set 2.2: A 60 MET CE :methyl -177:sc= -0.349 (180deg=0) USER MOD Set 3.1: A 54 THR OG1 : rot -170:sc= 0.433 USER MOD Set 3.2: A 57 SER OG : rot 174:sc= 0.147 USER MOD Set 4.1: A 20 CYS SG : rot 170:sc= -5.88! USER MOD Set 4.2: A 22 HIS : no HD1:sc= -9.43! C(o=-20!,f=-24!) USER MOD Set 4.3: A 40 CYS SG : rot 38:sc= -1.41! USER MOD Set 4.4: A 43 CYS SG : rot 130:sc= -2.84! USER MOD Set 5.1: A 26 TYR OH : rot 119:sc= 0.00414 USER MOD Set 5.2: A 52 GLN : amide:sc= -4.12! C(o=-4.1!,f=-5!) USER MOD Set 6.1: A 6 LYS NZ :NH3+ 168:sc= 0.653 (180deg=-0.23) USER MOD Set 6.2: A 32 HIS : no HE2:sc= -0.208 K(o=0.45,f=-3.4) USER MOD Set 7.1: A 4 CYS SG : rot -133:sc= -5.35! USER MOD Set 7.2: A 7 CYS SG : rot -167:sc= -1.93 USER MOD Set 7.3: A 25 CYS SG : rot 137:sc= -6.43! USER MOD Set 7.4: A 28 CYS SG : rot 82:sc= 2.41! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -171:sc= -2.7! (180deg=-3.03!) USER MOD Single : A 21 LYS NZ :NH3+ 158:sc= -0.016 (180deg=-0.282) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 74:sc= 0.911 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 130:sc= 0.0531 USER MOD Single : A 73 SER OG : rot -8:sc= 0.951 USER MOD Single : A 74 GLN :FLIP amide:sc= -5.63! C(o=-8.9!,f=-5.6!) USER MOD Single : A 78 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.1) USER MOD Single : A 82 ASN : amide:sc= -1.28 X(o=-1.3,f=-0.87) USER MOD Single : A 83 HIS : no HD1:sc= -2.45! C(o=-2.4!,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 37 N PHE A 3 -12.774 -9.131 4.160 1.00 0.00 N ATOM 38 CA PHE A 3 -12.956 -10.061 3.013 1.00 0.00 C ATOM 39 C PHE A 3 -12.114 -9.574 1.829 1.00 0.00 C ATOM 40 O PHE A 3 -12.455 -8.607 1.176 1.00 0.00 O ATOM 41 CB PHE A 3 -14.433 -10.085 2.609 1.00 0.00 C ATOM 42 CG PHE A 3 -15.016 -11.451 2.885 1.00 0.00 C ATOM 43 CD1 PHE A 3 -15.599 -11.726 4.128 1.00 0.00 C ATOM 44 CD2 PHE A 3 -14.977 -12.440 1.896 1.00 0.00 C ATOM 45 CE1 PHE A 3 -16.142 -12.991 4.381 1.00 0.00 C ATOM 46 CE2 PHE A 3 -15.520 -13.706 2.150 1.00 0.00 C ATOM 47 CZ PHE A 3 -16.102 -13.982 3.393 1.00 0.00 C ATOM 0 HA PHE A 3 -12.640 -11.064 3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -14.984 -9.325 3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.534 -9.843 1.551 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -15.630 -10.962 4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.528 -12.227 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -16.592 -13.203 5.340 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -15.490 -14.469 1.387 1.00 0.00 H new ATOM 0 HZ PHE A 3 -16.520 -14.958 3.589 1.00 0.00 H new ATOM 57 N CYS A 4 -11.021 -10.234 1.547 1.00 0.00 N ATOM 58 CA CYS A 4 -10.165 -9.804 0.404 1.00 0.00 C ATOM 59 C CYS A 4 -11.053 -9.540 -0.810 1.00 0.00 C ATOM 60 O CYS A 4 -12.056 -10.197 -1.010 1.00 0.00 O ATOM 61 CB CYS A 4 -9.159 -10.905 0.049 1.00 0.00 C ATOM 62 SG CYS A 4 -8.506 -11.670 1.554 1.00 0.00 S ATOM 0 H CYS A 4 -10.685 -11.050 2.058 1.00 0.00 H new ATOM 0 HA CYS A 4 -9.624 -8.901 0.686 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -9.641 -11.661 -0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -8.342 -10.485 -0.537 1.00 0.00 H new ATOM 0 HG CYS A 4 -7.211 -11.753 1.472 1.00 0.00 H new ATOM 67 N ASP A 5 -10.696 -8.590 -1.625 1.00 0.00 N ATOM 68 CA ASP A 5 -11.525 -8.297 -2.822 1.00 0.00 C ATOM 69 C ASP A 5 -11.050 -9.161 -3.990 1.00 0.00 C ATOM 70 O ASP A 5 -11.800 -9.452 -4.901 1.00 0.00 O ATOM 71 CB ASP A 5 -11.388 -6.818 -3.188 1.00 0.00 C ATOM 72 CG ASP A 5 -12.741 -6.123 -3.021 1.00 0.00 C ATOM 73 OD1 ASP A 5 -13.690 -6.558 -3.653 1.00 0.00 O ATOM 74 OD2 ASP A 5 -12.805 -5.168 -2.265 1.00 0.00 O ATOM 0 H ASP A 5 -9.868 -8.005 -1.514 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.570 -8.520 -2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.642 -6.343 -2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.040 -6.718 -4.216 1.00 0.00 H new ATOM 79 N LYS A 6 -9.806 -9.564 -3.976 1.00 0.00 N ATOM 80 CA LYS A 6 -9.282 -10.397 -5.092 1.00 0.00 C ATOM 81 C LYS A 6 -9.366 -11.886 -4.732 1.00 0.00 C ATOM 82 O LYS A 6 -9.532 -12.724 -5.597 1.00 0.00 O ATOM 83 CB LYS A 6 -7.824 -10.009 -5.364 1.00 0.00 C ATOM 84 CG LYS A 6 -7.182 -11.026 -6.317 1.00 0.00 C ATOM 85 CD LYS A 6 -6.358 -12.051 -5.526 1.00 0.00 C ATOM 86 CE LYS A 6 -6.319 -13.372 -6.293 1.00 0.00 C ATOM 87 NZ LYS A 6 -5.696 -13.154 -7.629 1.00 0.00 N ATOM 0 H LYS A 6 -9.133 -9.351 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.883 -10.223 -5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.779 -9.011 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.267 -9.973 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.956 -11.536 -6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.543 -10.510 -7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.346 -11.678 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.796 -12.203 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.751 -14.114 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.328 -13.766 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.484 -14.073 -8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.354 -12.625 -8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.815 -12.612 -7.517 1.00 0.00 H new ATOM 101 N CYS A 7 -9.241 -12.222 -3.473 1.00 0.00 N ATOM 102 CA CYS A 7 -9.295 -13.660 -3.068 1.00 0.00 C ATOM 103 C CYS A 7 -10.615 -13.971 -2.353 1.00 0.00 C ATOM 104 O CYS A 7 -11.061 -15.101 -2.331 1.00 0.00 O ATOM 105 CB CYS A 7 -8.128 -13.969 -2.129 1.00 0.00 C ATOM 106 SG CYS A 7 -7.150 -12.470 -1.863 1.00 0.00 S ATOM 0 H CYS A 7 -9.104 -11.562 -2.707 1.00 0.00 H new ATOM 0 HA CYS A 7 -9.227 -14.277 -3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.504 -14.344 -1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.502 -14.753 -2.556 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.019 -12.783 -1.305 1.00 0.00 H new ATOM 111 N GLY A 8 -11.244 -12.990 -1.768 1.00 0.00 N ATOM 112 CA GLY A 8 -12.534 -13.255 -1.063 1.00 0.00 C ATOM 113 C GLY A 8 -12.264 -13.876 0.314 1.00 0.00 C ATOM 114 O GLY A 8 -13.175 -14.158 1.065 1.00 0.00 O ATOM 0 H GLY A 8 -10.925 -12.021 -1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.092 -12.326 -0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.152 -13.927 -1.659 1.00 0.00 H new ATOM 118 N LEU A 9 -11.021 -14.083 0.655 1.00 0.00 N ATOM 119 CA LEU A 9 -10.694 -14.674 1.988 1.00 0.00 C ATOM 120 C LEU A 9 -10.783 -13.564 3.040 1.00 0.00 C ATOM 121 O LEU A 9 -10.795 -12.406 2.703 1.00 0.00 O ATOM 122 CB LEU A 9 -9.269 -15.236 1.941 1.00 0.00 C ATOM 123 CG LEU A 9 -9.320 -16.763 1.827 1.00 0.00 C ATOM 124 CD1 LEU A 9 -10.059 -17.158 0.546 1.00 0.00 C ATOM 125 CD2 LEU A 9 -7.894 -17.317 1.781 1.00 0.00 C ATOM 0 H LEU A 9 -10.215 -13.868 0.068 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.389 -15.476 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.730 -14.816 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.724 -14.947 2.839 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.845 -17.173 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.094 -18.245 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.075 -16.763 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.535 -16.748 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.928 -18.403 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.371 -16.905 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.366 -17.038 2.693 1.00 0.00 H new ATOM 137 N PRO A 10 -10.851 -13.891 4.305 1.00 0.00 N ATOM 138 CA PRO A 10 -10.934 -12.852 5.364 1.00 0.00 C ATOM 139 C PRO A 10 -9.621 -12.077 5.515 1.00 0.00 C ATOM 140 O PRO A 10 -8.549 -12.646 5.552 1.00 0.00 O ATOM 141 CB PRO A 10 -11.263 -13.624 6.636 1.00 0.00 C ATOM 142 CG PRO A 10 -10.844 -15.037 6.381 1.00 0.00 C ATOM 143 CD PRO A 10 -10.865 -15.253 4.863 1.00 0.00 C ATOM 0 HA PRO A 10 -11.685 -12.098 5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.733 -13.208 7.493 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.328 -13.568 6.862 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.847 -15.220 6.781 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.520 -15.734 6.877 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.001 -15.829 4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.753 -15.802 4.551 1.00 0.00 H new ATOM 151 N ILE A 11 -9.706 -10.777 5.582 1.00 0.00 N ATOM 152 CA ILE A 11 -8.478 -9.942 5.708 1.00 0.00 C ATOM 153 C ILE A 11 -7.998 -9.901 7.158 1.00 0.00 C ATOM 154 O ILE A 11 -8.677 -9.412 8.037 1.00 0.00 O ATOM 155 CB ILE A 11 -8.804 -8.523 5.245 1.00 0.00 C ATOM 156 CG1 ILE A 11 -9.240 -8.555 3.786 1.00 0.00 C ATOM 157 CG2 ILE A 11 -7.569 -7.641 5.371 1.00 0.00 C ATOM 158 CD1 ILE A 11 -9.931 -7.238 3.442 1.00 0.00 C ATOM 0 H ILE A 11 -10.581 -10.253 5.555 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.688 -10.374 5.094 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.605 -8.121 5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.376 -8.707 3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.918 -9.391 3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.808 -6.631 5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.246 -7.614 6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.768 -8.046 4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.246 -7.254 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.803 -7.107 4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.238 -6.412 3.599 1.00 0.00 H new ATOM 170 N LYS A 12 -6.813 -10.391 7.408 1.00 0.00 N ATOM 171 CA LYS A 12 -6.269 -10.359 8.792 1.00 0.00 C ATOM 172 C LYS A 12 -5.620 -8.993 9.018 1.00 0.00 C ATOM 173 O LYS A 12 -5.589 -8.478 10.118 1.00 0.00 O ATOM 174 CB LYS A 12 -5.221 -11.463 8.961 1.00 0.00 C ATOM 175 CG LYS A 12 -4.436 -11.628 7.657 1.00 0.00 C ATOM 176 CD LYS A 12 -5.088 -12.718 6.803 1.00 0.00 C ATOM 177 CE LYS A 12 -4.586 -14.090 7.258 1.00 0.00 C ATOM 178 NZ LYS A 12 -5.667 -15.100 7.076 1.00 0.00 N ATOM 0 H LYS A 12 -6.199 -10.812 6.711 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.068 -10.521 9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.543 -11.213 9.777 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.707 -12.402 9.227 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.417 -10.685 7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.401 -11.892 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.173 -12.667 6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.850 -12.562 5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.706 -14.376 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.284 -14.050 8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.326 -16.033 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.495 -14.828 7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.935 -15.145 6.072 1.00 0.00 H new ATOM 192 N VAL A 13 -5.115 -8.400 7.969 1.00 0.00 N ATOM 193 CA VAL A 13 -4.479 -7.063 8.083 1.00 0.00 C ATOM 194 C VAL A 13 -4.866 -6.256 6.851 1.00 0.00 C ATOM 195 O VAL A 13 -5.003 -6.790 5.772 1.00 0.00 O ATOM 196 CB VAL A 13 -2.967 -7.212 8.128 1.00 0.00 C ATOM 197 CG1 VAL A 13 -2.356 -6.031 8.885 1.00 0.00 C ATOM 198 CG2 VAL A 13 -2.598 -8.520 8.832 1.00 0.00 C ATOM 0 H VAL A 13 -5.118 -8.793 7.028 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.811 -6.565 8.994 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.577 -7.229 7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.272 -6.140 8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.613 -5.101 8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.748 -6.009 9.902 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.513 -8.623 8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.990 -8.509 9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.027 -9.360 8.287 1.00 0.00 H new ATOM 208 N TYR A 14 -5.058 -4.984 6.986 1.00 0.00 N ATOM 209 CA TYR A 14 -5.467 -4.192 5.800 1.00 0.00 C ATOM 210 C TYR A 14 -4.248 -3.831 4.962 1.00 0.00 C ATOM 211 O TYR A 14 -3.539 -2.885 5.242 1.00 0.00 O ATOM 212 CB TYR A 14 -6.163 -2.913 6.242 1.00 0.00 C ATOM 213 CG TYR A 14 -7.633 -3.173 6.506 1.00 0.00 C ATOM 214 CD1 TYR A 14 -8.052 -4.338 7.166 1.00 0.00 C ATOM 215 CD2 TYR A 14 -8.581 -2.234 6.092 1.00 0.00 C ATOM 216 CE1 TYR A 14 -9.414 -4.558 7.406 1.00 0.00 C ATOM 217 CE2 TYR A 14 -9.942 -2.452 6.333 1.00 0.00 C ATOM 218 CZ TYR A 14 -10.359 -3.614 6.991 1.00 0.00 C ATOM 219 OH TYR A 14 -11.702 -3.830 7.226 1.00 0.00 O ATOM 0 H TYR A 14 -4.952 -4.459 7.854 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.152 -4.794 5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.688 -2.527 7.144 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.055 -2.149 5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.323 -5.066 7.489 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.262 -1.336 5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.735 -5.457 7.912 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.671 -1.723 6.011 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.820 -4.686 7.689 1.00 0.00 H new ATOM 229 N GLY A 15 -4.022 -4.567 3.919 1.00 0.00 N ATOM 230 CA GLY A 15 -2.874 -4.263 3.030 1.00 0.00 C ATOM 231 C GLY A 15 -3.228 -3.017 2.239 1.00 0.00 C ATOM 232 O GLY A 15 -3.779 -3.090 1.162 1.00 0.00 O ATOM 0 H GLY A 15 -4.585 -5.371 3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.968 -4.102 3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.676 -5.099 2.360 1.00 0.00 H new ATOM 236 N ARG A 16 -2.938 -1.878 2.790 1.00 0.00 N ATOM 237 CA ARG A 16 -3.283 -0.602 2.103 1.00 0.00 C ATOM 238 C ARG A 16 -2.491 -0.472 0.807 1.00 0.00 C ATOM 239 O ARG A 16 -1.352 -0.872 0.725 1.00 0.00 O ATOM 240 CB ARG A 16 -2.961 0.579 3.023 1.00 0.00 C ATOM 241 CG ARG A 16 -3.425 1.883 2.370 1.00 0.00 C ATOM 242 CD ARG A 16 -4.378 2.616 3.317 1.00 0.00 C ATOM 243 NE ARG A 16 -4.698 3.959 2.758 1.00 0.00 N ATOM 244 CZ ARG A 16 -3.844 4.939 2.882 1.00 0.00 C ATOM 245 NH1 ARG A 16 -2.707 4.739 3.491 1.00 0.00 N ATOM 246 NH2 ARG A 16 -4.128 6.117 2.397 1.00 0.00 N ATOM 0 H ARG A 16 -2.474 -1.771 3.692 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.347 -0.602 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.455 0.447 3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.889 0.620 3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.566 2.514 2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.925 1.671 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.293 2.038 3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.921 2.719 4.301 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.585 4.113 2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.486 3.818 3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.039 5.504 3.588 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.017 6.272 1.921 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.461 6.883 2.494 1.00 0.00 H new ATOM 260 N MET A 17 -3.107 0.082 -0.203 1.00 0.00 N ATOM 261 CA MET A 17 -2.429 0.248 -1.519 1.00 0.00 C ATOM 262 C MET A 17 -2.491 1.712 -1.949 1.00 0.00 C ATOM 263 O MET A 17 -3.535 2.337 -1.874 1.00 0.00 O ATOM 264 CB MET A 17 -3.162 -0.585 -2.556 1.00 0.00 C ATOM 265 CG MET A 17 -3.537 -1.929 -1.947 1.00 0.00 C ATOM 266 SD MET A 17 -3.575 -3.181 -3.249 1.00 0.00 S ATOM 267 CE MET A 17 -1.806 -3.563 -3.247 1.00 0.00 C ATOM 0 H MET A 17 -4.065 0.431 -0.170 1.00 0.00 H new ATOM 0 HA MET A 17 -1.390 -0.069 -1.433 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.058 -0.062 -2.892 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.531 -0.733 -3.433 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.816 -2.208 -1.179 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.510 -1.863 -1.461 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.572 -4.207 -4.094 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.234 -2.638 -3.325 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.545 -4.074 -2.320 1.00 0.00 H new ATOM 277 N ILE A 18 -1.389 2.248 -2.409 1.00 0.00 N ATOM 278 CA ILE A 18 -1.360 3.669 -2.865 1.00 0.00 C ATOM 279 C ILE A 18 -0.891 3.713 -4.329 1.00 0.00 C ATOM 280 O ILE A 18 -0.192 2.827 -4.772 1.00 0.00 O ATOM 281 CB ILE A 18 -0.376 4.461 -1.996 1.00 0.00 C ATOM 282 CG1 ILE A 18 0.623 3.504 -1.353 1.00 0.00 C ATOM 283 CG2 ILE A 18 -1.134 5.209 -0.894 1.00 0.00 C ATOM 284 CD1 ILE A 18 1.671 4.305 -0.576 1.00 0.00 C ATOM 0 H ILE A 18 -0.499 1.756 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.355 4.106 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 18 0.151 5.179 -2.624 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.105 2.817 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.107 2.898 -2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.427 5.769 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.847 5.898 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.668 4.493 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.385 3.621 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.197 4.974 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.179 4.891 0.200 1.00 0.00 H new ATOM 296 N PRO A 19 -1.263 4.728 -5.082 1.00 0.00 N ATOM 297 CA PRO A 19 -2.121 5.851 -4.609 1.00 0.00 C ATOM 298 C PRO A 19 -3.598 5.461 -4.617 1.00 0.00 C ATOM 299 O PRO A 19 -4.474 6.270 -4.382 1.00 0.00 O ATOM 300 CB PRO A 19 -1.858 6.954 -5.631 1.00 0.00 C ATOM 301 CG PRO A 19 -1.516 6.241 -6.897 1.00 0.00 C ATOM 302 CD PRO A 19 -0.897 4.896 -6.499 1.00 0.00 C ATOM 0 HA PRO A 19 -1.895 6.147 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.735 7.588 -5.761 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.042 7.601 -5.311 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.406 6.090 -7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.816 6.827 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.289 4.082 -7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.185 4.902 -6.632 1.00 0.00 H new ATOM 310 N CYS A 20 -3.872 4.217 -4.890 1.00 0.00 N ATOM 311 CA CYS A 20 -5.280 3.740 -4.925 1.00 0.00 C ATOM 312 C CYS A 20 -5.956 4.056 -3.594 1.00 0.00 C ATOM 313 O CYS A 20 -7.121 4.397 -3.539 1.00 0.00 O ATOM 314 CB CYS A 20 -5.283 2.226 -5.143 1.00 0.00 C ATOM 315 SG CYS A 20 -6.254 1.815 -6.615 1.00 0.00 S ATOM 0 H CYS A 20 -3.172 3.503 -5.092 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.818 4.235 -5.733 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.261 1.865 -5.259 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.701 1.725 -4.270 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.078 0.562 -6.915 1.00 0.00 H new ATOM 320 N LYS A 21 -5.236 3.919 -2.519 1.00 0.00 N ATOM 321 CA LYS A 21 -5.829 4.180 -1.188 1.00 0.00 C ATOM 322 C LYS A 21 -6.805 3.050 -0.890 1.00 0.00 C ATOM 323 O LYS A 21 -7.737 3.194 -0.123 1.00 0.00 O ATOM 324 CB LYS A 21 -6.570 5.518 -1.199 1.00 0.00 C ATOM 325 CG LYS A 21 -6.318 6.247 0.121 1.00 0.00 C ATOM 326 CD LYS A 21 -7.225 7.476 0.210 1.00 0.00 C ATOM 327 CE LYS A 21 -6.633 8.477 1.204 1.00 0.00 C ATOM 328 NZ LYS A 21 -5.462 9.159 0.583 1.00 0.00 N ATOM 0 H LYS A 21 -4.256 3.635 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.051 4.227 -0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.229 6.128 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.638 5.354 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.511 5.578 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.273 6.548 0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.326 7.939 -0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.225 7.181 0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.386 9.211 1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.327 7.963 2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.290 10.063 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.621 8.554 0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.657 9.336 -0.423 1.00 0.00 H new ATOM 342 N HIS A 22 -6.589 1.921 -1.512 1.00 0.00 N ATOM 343 CA HIS A 22 -7.494 0.756 -1.297 1.00 0.00 C ATOM 344 C HIS A 22 -6.839 -0.210 -0.315 1.00 0.00 C ATOM 345 O HIS A 22 -5.715 -0.009 0.088 1.00 0.00 O ATOM 346 CB HIS A 22 -7.731 0.040 -2.628 1.00 0.00 C ATOM 347 CG HIS A 22 -8.436 0.960 -3.585 1.00 0.00 C ATOM 348 ND1 HIS A 22 -8.239 0.889 -4.958 1.00 0.00 N ATOM 349 CD2 HIS A 22 -9.337 1.979 -3.388 1.00 0.00 C ATOM 350 CE1 HIS A 22 -9.005 1.839 -5.528 1.00 0.00 C ATOM 351 NE2 HIS A 22 -9.691 2.528 -4.616 1.00 0.00 N ATOM 0 H HIS A 22 -5.821 1.756 -2.162 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.447 1.102 -0.897 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.780 -0.281 -3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.328 -0.858 -2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.712 2.303 -2.428 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.057 2.020 -6.591 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.340 3.297 -4.784 1.00 0.00 H new ATOM 359 N VAL A 23 -7.523 -1.259 0.071 1.00 0.00 N ATOM 360 CA VAL A 23 -6.907 -2.225 1.027 1.00 0.00 C ATOM 361 C VAL A 23 -7.316 -3.657 0.691 1.00 0.00 C ATOM 362 O VAL A 23 -8.360 -3.909 0.123 1.00 0.00 O ATOM 363 CB VAL A 23 -7.345 -1.910 2.457 1.00 0.00 C ATOM 364 CG1 VAL A 23 -7.459 -0.400 2.636 1.00 0.00 C ATOM 365 CG2 VAL A 23 -8.700 -2.570 2.735 1.00 0.00 C ATOM 0 H VAL A 23 -8.471 -1.485 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.824 -2.130 0.943 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.606 -2.299 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.771 -0.177 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.491 0.063 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.196 -0.005 1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.012 -2.345 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.442 -2.186 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.611 -3.649 2.613 1.00 0.00 H new ATOM 375 N PHE A 24 -6.493 -4.594 1.065 1.00 0.00 N ATOM 376 CA PHE A 24 -6.802 -6.027 0.808 1.00 0.00 C ATOM 377 C PHE A 24 -6.123 -6.858 1.882 1.00 0.00 C ATOM 378 O PHE A 24 -5.769 -6.367 2.933 1.00 0.00 O ATOM 379 CB PHE A 24 -6.242 -6.460 -0.549 1.00 0.00 C ATOM 380 CG PHE A 24 -6.756 -5.551 -1.630 1.00 0.00 C ATOM 381 CD1 PHE A 24 -6.151 -4.310 -1.838 1.00 0.00 C ATOM 382 CD2 PHE A 24 -7.832 -5.949 -2.428 1.00 0.00 C ATOM 383 CE1 PHE A 24 -6.620 -3.463 -2.844 1.00 0.00 C ATOM 384 CE2 PHE A 24 -8.304 -5.102 -3.436 1.00 0.00 C ATOM 385 CZ PHE A 24 -7.697 -3.859 -3.645 1.00 0.00 C ATOM 0 H PHE A 24 -5.608 -4.426 1.544 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.883 -6.167 0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -5.153 -6.433 -0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.532 -7.489 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.319 -4.005 -1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.299 -6.910 -2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.152 -2.503 -3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.136 -5.407 -4.053 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.060 -3.205 -4.424 1.00 0.00 H new ATOM 395 N CYS A 25 -5.903 -8.106 1.613 1.00 0.00 N ATOM 396 CA CYS A 25 -5.202 -8.952 2.608 1.00 0.00 C ATOM 397 C CYS A 25 -3.710 -8.690 2.456 1.00 0.00 C ATOM 398 O CYS A 25 -3.101 -9.075 1.476 1.00 0.00 O ATOM 399 CB CYS A 25 -5.495 -10.418 2.323 1.00 0.00 C ATOM 400 SG CYS A 25 -5.886 -10.596 0.568 1.00 0.00 S ATOM 0 H CYS A 25 -6.176 -8.577 0.751 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.534 -8.719 3.620 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.634 -11.034 2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.330 -10.763 2.934 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.295 -11.654 0.097 1.00 0.00 H new ATOM 405 N TYR A 26 -3.112 -8.026 3.398 1.00 0.00 N ATOM 406 CA TYR A 26 -1.658 -7.733 3.273 1.00 0.00 C ATOM 407 C TYR A 26 -0.902 -9.014 2.930 1.00 0.00 C ATOM 408 O TYR A 26 0.253 -8.978 2.562 1.00 0.00 O ATOM 409 CB TYR A 26 -1.136 -7.132 4.583 1.00 0.00 C ATOM 410 CG TYR A 26 0.299 -6.672 4.412 1.00 0.00 C ATOM 411 CD1 TYR A 26 0.624 -5.679 3.470 1.00 0.00 C ATOM 412 CD2 TYR A 26 1.308 -7.239 5.199 1.00 0.00 C ATOM 413 CE1 TYR A 26 1.953 -5.264 3.323 1.00 0.00 C ATOM 414 CE2 TYR A 26 2.636 -6.822 5.048 1.00 0.00 C ATOM 415 CZ TYR A 26 2.958 -5.835 4.110 1.00 0.00 C ATOM 416 OH TYR A 26 4.267 -5.425 3.963 1.00 0.00 O ATOM 0 H TYR A 26 -3.560 -7.674 4.244 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.500 -7.011 2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.762 -6.291 4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.196 -7.872 5.381 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.151 -5.237 2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.062 -8.000 5.925 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.203 -4.501 2.600 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.412 -7.262 5.656 1.00 0.00 H new ATOM 0 HH TYR A 26 4.590 -5.052 4.810 1.00 0.00 H new ATOM 426 N ASP A 27 -1.542 -10.149 3.027 1.00 0.00 N ATOM 427 CA ASP A 27 -0.848 -11.420 2.682 1.00 0.00 C ATOM 428 C ASP A 27 -0.893 -11.616 1.167 1.00 0.00 C ATOM 429 O ASP A 27 0.107 -11.877 0.527 1.00 0.00 O ATOM 430 CB ASP A 27 -1.539 -12.594 3.378 1.00 0.00 C ATOM 431 CG ASP A 27 -0.987 -13.910 2.828 1.00 0.00 C ATOM 432 OD1 ASP A 27 -1.438 -14.325 1.774 1.00 0.00 O ATOM 433 OD2 ASP A 27 -0.122 -14.481 3.472 1.00 0.00 O ATOM 0 H ASP A 27 -2.511 -10.249 3.329 1.00 0.00 H new ATOM 0 HA ASP A 27 0.189 -11.374 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.375 -12.540 4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.616 -12.543 3.217 1.00 0.00 H new ATOM 438 N CYS A 28 -2.041 -11.481 0.580 1.00 0.00 N ATOM 439 CA CYS A 28 -2.121 -11.645 -0.891 1.00 0.00 C ATOM 440 C CYS A 28 -1.634 -10.352 -1.538 1.00 0.00 C ATOM 441 O CYS A 28 -1.204 -10.338 -2.674 1.00 0.00 O ATOM 442 CB CYS A 28 -3.559 -11.948 -1.320 1.00 0.00 C ATOM 443 SG CYS A 28 -4.316 -13.082 -0.129 1.00 0.00 S ATOM 0 H CYS A 28 -2.921 -11.266 1.049 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.498 -12.481 -1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.135 -11.025 -1.377 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.567 -12.391 -2.316 1.00 0.00 H new ATOM 0 HG CYS A 28 -4.751 -12.409 0.895 1.00 0.00 H new ATOM 448 N ALA A 29 -1.679 -9.266 -0.813 1.00 0.00 N ATOM 449 CA ALA A 29 -1.198 -7.987 -1.375 1.00 0.00 C ATOM 450 C ALA A 29 0.316 -8.075 -1.546 1.00 0.00 C ATOM 451 O ALA A 29 0.873 -7.551 -2.491 1.00 0.00 O ATOM 452 CB ALA A 29 -1.554 -6.844 -0.417 1.00 0.00 C ATOM 0 H ALA A 29 -2.030 -9.217 0.144 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.667 -7.795 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.200 -5.899 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.635 -6.801 -0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.080 -7.018 0.549 1.00 0.00 H new ATOM 458 N ILE A 30 0.994 -8.741 -0.645 1.00 0.00 N ATOM 459 CA ILE A 30 2.464 -8.852 -0.782 1.00 0.00 C ATOM 460 C ILE A 30 2.780 -9.923 -1.817 1.00 0.00 C ATOM 461 O ILE A 30 3.731 -9.817 -2.565 1.00 0.00 O ATOM 462 CB ILE A 30 3.104 -9.181 0.573 1.00 0.00 C ATOM 463 CG1 ILE A 30 2.663 -10.553 1.099 1.00 0.00 C ATOM 464 CG2 ILE A 30 2.683 -8.122 1.584 1.00 0.00 C ATOM 465 CD1 ILE A 30 3.567 -10.963 2.263 1.00 0.00 C ATOM 0 H ILE A 30 0.591 -9.206 0.169 1.00 0.00 H new ATOM 0 HA ILE A 30 2.879 -7.901 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 30 4.185 -9.198 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.624 -10.513 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.717 -11.295 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.132 -8.345 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.019 -7.142 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.597 -8.121 1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.256 -11.938 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.600 -11.019 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.490 -10.225 3.061 1.00 0.00 H new ATOM 477 N LEU A 31 1.975 -10.948 -1.886 1.00 0.00 N ATOM 478 CA LEU A 31 2.239 -12.001 -2.905 1.00 0.00 C ATOM 479 C LEU A 31 2.053 -11.378 -4.286 1.00 0.00 C ATOM 480 O LEU A 31 2.796 -11.646 -5.209 1.00 0.00 O ATOM 481 CB LEU A 31 1.265 -13.172 -2.737 1.00 0.00 C ATOM 482 CG LEU A 31 1.623 -13.970 -1.478 1.00 0.00 C ATOM 483 CD1 LEU A 31 0.380 -14.701 -0.964 1.00 0.00 C ATOM 484 CD2 LEU A 31 2.709 -15.000 -1.805 1.00 0.00 C ATOM 0 H LEU A 31 1.160 -11.100 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 31 3.253 -12.382 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.243 -12.799 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.306 -13.820 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 31 1.990 -13.283 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.636 -15.268 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.396 -13.974 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.014 -15.382 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.959 -15.563 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.343 -15.683 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.599 -14.487 -2.170 1.00 0.00 H new ATOM 496 N HIS A 32 1.072 -10.526 -4.427 1.00 0.00 N ATOM 497 CA HIS A 32 0.845 -9.863 -5.738 1.00 0.00 C ATOM 498 C HIS A 32 1.974 -8.870 -5.981 1.00 0.00 C ATOM 499 O HIS A 32 2.374 -8.628 -7.102 1.00 0.00 O ATOM 500 CB HIS A 32 -0.496 -9.128 -5.721 1.00 0.00 C ATOM 501 CG HIS A 32 -1.557 -10.007 -6.325 1.00 0.00 C ATOM 502 ND1 HIS A 32 -2.042 -9.805 -7.610 1.00 0.00 N ATOM 503 CD2 HIS A 32 -2.236 -11.095 -5.834 1.00 0.00 C ATOM 504 CE1 HIS A 32 -2.971 -10.751 -7.845 1.00 0.00 C ATOM 505 NE2 HIS A 32 -3.126 -11.560 -6.795 1.00 0.00 N ATOM 0 H HIS A 32 0.419 -10.263 -3.689 1.00 0.00 H new ATOM 0 HA HIS A 32 0.826 -10.608 -6.534 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -0.766 -8.865 -4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.419 -8.196 -6.280 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -1.748 -9.074 -8.258 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.099 -11.523 -4.852 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.522 -10.844 -8.769 1.00 0.00 H new ATOM 514 N GLU A 33 2.502 -8.299 -4.934 1.00 0.00 N ATOM 515 CA GLU A 33 3.615 -7.333 -5.110 1.00 0.00 C ATOM 516 C GLU A 33 4.888 -8.115 -5.439 1.00 0.00 C ATOM 517 O GLU A 33 5.707 -7.691 -6.228 1.00 0.00 O ATOM 518 CB GLU A 33 3.786 -6.505 -3.822 1.00 0.00 C ATOM 519 CG GLU A 33 5.123 -6.806 -3.128 1.00 0.00 C ATOM 520 CD GLU A 33 5.196 -6.017 -1.819 1.00 0.00 C ATOM 521 OE1 GLU A 33 5.170 -4.799 -1.882 1.00 0.00 O ATOM 522 OE2 GLU A 33 5.278 -6.645 -0.776 1.00 0.00 O ATOM 0 H GLU A 33 2.211 -8.460 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 33 3.402 -6.643 -5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.731 -5.443 -4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.964 -6.720 -3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.211 -7.874 -2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.954 -6.533 -3.778 1.00 0.00 H new ATOM 529 N LYS A 34 5.054 -9.266 -4.852 1.00 0.00 N ATOM 530 CA LYS A 34 6.263 -10.074 -5.148 1.00 0.00 C ATOM 531 C LYS A 34 6.114 -10.662 -6.547 1.00 0.00 C ATOM 532 O LYS A 34 7.077 -11.040 -7.184 1.00 0.00 O ATOM 533 CB LYS A 34 6.393 -11.204 -4.125 1.00 0.00 C ATOM 534 CG LYS A 34 7.051 -10.667 -2.852 1.00 0.00 C ATOM 535 CD LYS A 34 6.504 -11.421 -1.638 1.00 0.00 C ATOM 536 CE LYS A 34 7.433 -11.204 -0.441 1.00 0.00 C ATOM 537 NZ LYS A 34 8.466 -12.278 -0.414 1.00 0.00 N ATOM 0 H LYS A 34 4.405 -9.680 -4.182 1.00 0.00 H new ATOM 0 HA LYS A 34 7.155 -9.449 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.410 -11.614 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.988 -12.017 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.133 -10.787 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.853 -9.600 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.500 -11.070 -1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.425 -12.485 -1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.911 -10.227 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.859 -11.213 0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.098 -12.132 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.001 -13.205 -0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.021 -12.248 -1.293 1.00 0.00 H new ATOM 614 N MET A 39 1.007 -3.796 -8.852 1.00 0.00 N ATOM 615 CA MET A 39 -0.410 -4.039 -9.271 1.00 0.00 C ATOM 616 C MET A 39 -1.348 -4.194 -8.072 1.00 0.00 C ATOM 617 O MET A 39 -1.059 -4.884 -7.115 1.00 0.00 O ATOM 618 CB MET A 39 -0.483 -5.310 -10.116 1.00 0.00 C ATOM 619 CG MET A 39 0.330 -5.115 -11.388 1.00 0.00 C ATOM 620 SD MET A 39 -0.048 -6.441 -12.560 1.00 0.00 S ATOM 621 CE MET A 39 -0.956 -5.433 -13.757 1.00 0.00 C ATOM 0 HA MET A 39 -0.732 -3.171 -9.846 1.00 0.00 H new ATOM 0 HB2 MET A 39 -0.098 -6.159 -9.551 1.00 0.00 H new ATOM 0 HB3 MET A 39 -1.520 -5.536 -10.364 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.101 -4.147 -11.833 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.395 -5.115 -11.155 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.290 -6.061 -14.583 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.821 -4.982 -13.271 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.305 -4.647 -14.139 1.00 0.00 H new ATOM 631 N CYS A 40 -2.493 -3.566 -8.155 1.00 0.00 N ATOM 632 CA CYS A 40 -3.510 -3.659 -7.068 1.00 0.00 C ATOM 633 C CYS A 40 -4.460 -4.833 -7.383 1.00 0.00 C ATOM 634 O CYS A 40 -5.208 -4.772 -8.333 1.00 0.00 O ATOM 635 CB CYS A 40 -4.318 -2.356 -7.041 1.00 0.00 C ATOM 636 SG CYS A 40 -5.347 -2.295 -5.552 1.00 0.00 S ATOM 0 H CYS A 40 -2.769 -2.983 -8.945 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.025 -3.818 -6.105 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.644 -1.500 -7.062 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.946 -2.289 -7.930 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.693 -2.805 -4.551 1.00 0.00 H new ATOM 641 N PRO A 41 -4.442 -5.902 -6.615 1.00 0.00 N ATOM 642 CA PRO A 41 -5.330 -7.073 -6.874 1.00 0.00 C ATOM 643 C PRO A 41 -6.778 -6.666 -7.167 1.00 0.00 C ATOM 644 O PRO A 41 -7.542 -7.435 -7.717 1.00 0.00 O ATOM 645 CB PRO A 41 -5.260 -7.876 -5.578 1.00 0.00 C ATOM 646 CG PRO A 41 -3.939 -7.542 -4.978 1.00 0.00 C ATOM 647 CD PRO A 41 -3.592 -6.125 -5.432 1.00 0.00 C ATOM 0 HA PRO A 41 -5.008 -7.628 -7.755 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.076 -7.609 -4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.344 -8.945 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.983 -7.599 -3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.177 -8.250 -5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.800 -5.395 -4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.534 -6.035 -5.680 1.00 0.00 H new ATOM 655 N GLY A 42 -7.166 -5.473 -6.796 1.00 0.00 N ATOM 656 CA GLY A 42 -8.570 -5.030 -7.044 1.00 0.00 C ATOM 657 C GLY A 42 -8.638 -4.137 -8.285 1.00 0.00 C ATOM 658 O GLY A 42 -9.296 -4.461 -9.254 1.00 0.00 O ATOM 0 H GLY A 42 -6.571 -4.787 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.214 -5.899 -7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.945 -4.487 -6.177 1.00 0.00 H new ATOM 662 N CYS A 43 -7.981 -3.008 -8.259 1.00 0.00 N ATOM 663 CA CYS A 43 -8.031 -2.090 -9.431 1.00 0.00 C ATOM 664 C CYS A 43 -6.849 -2.350 -10.367 1.00 0.00 C ATOM 665 O CYS A 43 -6.680 -1.681 -11.367 1.00 0.00 O ATOM 666 CB CYS A 43 -7.985 -0.643 -8.939 1.00 0.00 C ATOM 667 SG CYS A 43 -8.731 -0.548 -7.293 1.00 0.00 S ATOM 0 H CYS A 43 -7.413 -2.683 -7.477 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.956 -2.267 -9.980 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.954 -0.291 -8.905 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.521 0.006 -9.632 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.933 0.092 -6.491 1.00 0.00 H new ATOM 672 N SER A 44 -6.032 -3.315 -10.056 1.00 0.00 N ATOM 673 CA SER A 44 -4.865 -3.616 -10.932 1.00 0.00 C ATOM 674 C SER A 44 -4.120 -2.319 -11.257 1.00 0.00 C ATOM 675 O SER A 44 -3.606 -2.142 -12.343 1.00 0.00 O ATOM 676 CB SER A 44 -5.356 -4.259 -12.231 1.00 0.00 C ATOM 677 OG SER A 44 -5.547 -3.248 -13.212 1.00 0.00 O ATOM 0 H SER A 44 -6.121 -3.910 -9.232 1.00 0.00 H new ATOM 0 HA SER A 44 -4.192 -4.301 -10.416 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.631 -4.992 -12.584 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.290 -4.793 -12.056 1.00 0.00 H new ATOM 0 HG SER A 44 -4.676 -2.942 -13.540 1.00 0.00 H new ATOM 683 N ASP A 45 -4.053 -1.413 -10.319 1.00 0.00 N ATOM 684 CA ASP A 45 -3.341 -0.131 -10.563 1.00 0.00 C ATOM 685 C ASP A 45 -1.912 -0.246 -10.031 1.00 0.00 C ATOM 686 O ASP A 45 -1.612 -1.106 -9.228 1.00 0.00 O ATOM 687 CB ASP A 45 -4.069 1.000 -9.832 1.00 0.00 C ATOM 688 CG ASP A 45 -4.759 1.909 -10.853 1.00 0.00 C ATOM 689 OD1 ASP A 45 -5.531 1.397 -11.646 1.00 0.00 O ATOM 690 OD2 ASP A 45 -4.503 3.101 -10.823 1.00 0.00 O ATOM 0 H ASP A 45 -4.464 -1.509 -9.390 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.319 0.084 -11.631 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.805 0.587 -9.142 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.361 1.576 -9.236 1.00 0.00 H new ATOM 695 N PRO A 46 -1.034 0.615 -10.473 1.00 0.00 N ATOM 696 CA PRO A 46 0.388 0.604 -10.027 1.00 0.00 C ATOM 697 C PRO A 46 0.520 0.877 -8.525 1.00 0.00 C ATOM 698 O PRO A 46 0.807 1.981 -8.106 1.00 0.00 O ATOM 699 CB PRO A 46 1.049 1.722 -10.846 1.00 0.00 C ATOM 700 CG PRO A 46 -0.069 2.589 -11.324 1.00 0.00 C ATOM 701 CD PRO A 46 -1.297 1.690 -11.440 1.00 0.00 C ATOM 0 HA PRO A 46 0.854 -0.369 -10.184 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.752 2.290 -10.237 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.612 1.312 -11.684 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.251 3.406 -10.626 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.174 3.040 -12.286 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.213 2.230 -11.199 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.413 1.300 -12.451 1.00 0.00 H new ATOM 709 N VAL A 47 0.311 -0.121 -7.706 1.00 0.00 N ATOM 710 CA VAL A 47 0.429 0.102 -6.234 1.00 0.00 C ATOM 711 C VAL A 47 1.799 0.741 -5.956 1.00 0.00 C ATOM 712 O VAL A 47 2.815 0.080 -5.900 1.00 0.00 O ATOM 713 CB VAL A 47 0.269 -1.222 -5.469 1.00 0.00 C ATOM 714 CG1 VAL A 47 -0.984 -1.954 -5.954 1.00 0.00 C ATOM 715 CG2 VAL A 47 1.480 -2.124 -5.682 1.00 0.00 C ATOM 0 H VAL A 47 0.066 -1.070 -7.988 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.363 0.767 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 47 0.181 -0.990 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.092 -2.891 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.860 -1.330 -5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.894 -2.163 -7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.342 -3.054 -5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.587 -2.344 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.377 -1.619 -5.324 1.00 0.00 H new ATOM 725 N GLN A 48 1.842 2.035 -5.805 1.00 0.00 N ATOM 726 CA GLN A 48 3.145 2.704 -5.552 1.00 0.00 C ATOM 727 C GLN A 48 3.832 1.985 -4.410 1.00 0.00 C ATOM 728 O GLN A 48 4.974 1.581 -4.510 1.00 0.00 O ATOM 729 CB GLN A 48 2.918 4.171 -5.180 1.00 0.00 C ATOM 730 CG GLN A 48 4.267 4.861 -4.964 1.00 0.00 C ATOM 731 CD GLN A 48 4.393 6.044 -5.925 1.00 0.00 C ATOM 732 OE1 GLN A 48 4.919 5.907 -7.012 1.00 0.00 O ATOM 733 NE2 GLN A 48 3.930 7.211 -5.568 1.00 0.00 N ATOM 0 H GLN A 48 1.033 2.655 -5.846 1.00 0.00 H new ATOM 0 HA GLN A 48 3.764 2.667 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.363 4.675 -5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.315 4.238 -4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.351 5.205 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.080 4.154 -5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.488 7.327 -4.656 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.010 8.007 -6.201 1.00 0.00 H new ATOM 742 N ARG A 49 3.139 1.802 -3.329 1.00 0.00 N ATOM 743 CA ARG A 49 3.755 1.084 -2.185 1.00 0.00 C ATOM 744 C ARG A 49 2.662 0.526 -1.281 1.00 0.00 C ATOM 745 O ARG A 49 1.826 1.245 -0.779 1.00 0.00 O ATOM 746 CB ARG A 49 4.667 2.009 -1.362 1.00 0.00 C ATOM 747 CG ARG A 49 4.733 3.414 -1.971 1.00 0.00 C ATOM 748 CD ARG A 49 5.366 4.366 -0.957 1.00 0.00 C ATOM 749 NE ARG A 49 5.542 5.709 -1.577 1.00 0.00 N ATOM 750 CZ ARG A 49 5.751 6.753 -0.822 1.00 0.00 C ATOM 751 NH1 ARG A 49 5.803 6.621 0.475 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.908 7.929 -1.365 1.00 0.00 N ATOM 0 H ARG A 49 2.179 2.115 -3.186 1.00 0.00 H new ATOM 0 HA ARG A 49 4.362 0.274 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.297 2.071 -0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.670 1.584 -1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.319 3.399 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.733 3.757 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.735 4.443 -0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.330 3.976 -0.629 1.00 0.00 H new ATOM 0 HE ARG A 49 5.499 5.813 -2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.680 5.702 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.966 7.437 1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.867 8.032 -2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.071 8.745 -0.776 1.00 0.00 H new ATOM 766 N ILE A 50 2.664 -0.750 -1.052 1.00 0.00 N ATOM 767 CA ILE A 50 1.625 -1.332 -0.176 1.00 0.00 C ATOM 768 C ILE A 50 2.020 -1.123 1.270 1.00 0.00 C ATOM 769 O ILE A 50 3.183 -1.153 1.620 1.00 0.00 O ATOM 770 CB ILE A 50 1.477 -2.828 -0.421 1.00 0.00 C ATOM 771 CG1 ILE A 50 1.641 -3.122 -1.913 1.00 0.00 C ATOM 772 CG2 ILE A 50 0.095 -3.274 0.060 1.00 0.00 C ATOM 773 CD1 ILE A 50 1.511 -4.626 -2.167 1.00 0.00 C ATOM 0 H ILE A 50 3.339 -1.413 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 50 0.678 -0.840 -0.397 1.00 0.00 H new ATOM 0 HB ILE A 50 2.244 -3.375 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.886 -2.582 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.613 -2.769 -2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.022 -4.344 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.005 -3.063 1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.674 -2.733 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.629 -4.827 -3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.283 -5.157 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.528 -4.967 -1.840 1.00 0.00 H new ATOM 785 N GLU A 51 1.058 -0.902 2.103 1.00 0.00 N ATOM 786 CA GLU A 51 1.357 -0.676 3.542 1.00 0.00 C ATOM 787 C GLU A 51 0.337 -1.399 4.416 1.00 0.00 C ATOM 788 O GLU A 51 -0.794 -1.613 4.032 1.00 0.00 O ATOM 789 CB GLU A 51 1.328 0.821 3.824 1.00 0.00 C ATOM 790 CG GLU A 51 2.216 1.516 2.796 1.00 0.00 C ATOM 791 CD GLU A 51 2.354 2.997 3.152 1.00 0.00 C ATOM 792 OE1 GLU A 51 3.253 3.323 3.910 1.00 0.00 O ATOM 793 OE2 GLU A 51 1.561 3.782 2.659 1.00 0.00 O ATOM 0 H GLU A 51 0.069 -0.867 1.854 1.00 0.00 H new ATOM 0 HA GLU A 51 2.345 -1.072 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.308 1.200 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.684 1.025 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.199 1.045 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.787 1.410 1.800 1.00 0.00 H new ATOM 800 N GLN A 52 0.747 -1.786 5.588 1.00 0.00 N ATOM 801 CA GLN A 52 -0.174 -2.514 6.506 1.00 0.00 C ATOM 802 C GLN A 52 -1.003 -1.517 7.317 1.00 0.00 C ATOM 803 O GLN A 52 -0.526 -0.473 7.712 1.00 0.00 O ATOM 804 CB GLN A 52 0.645 -3.381 7.463 1.00 0.00 C ATOM 805 CG GLN A 52 1.127 -4.636 6.734 1.00 0.00 C ATOM 806 CD GLN A 52 2.433 -5.122 7.362 1.00 0.00 C ATOM 807 OE1 GLN A 52 3.505 -4.789 6.898 1.00 0.00 O ATOM 808 NE2 GLN A 52 2.388 -5.904 8.406 1.00 0.00 N ATOM 0 H GLN A 52 1.686 -1.629 5.954 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.842 -3.141 5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.498 -2.817 7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.040 -3.659 8.326 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.370 -5.418 6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.278 -4.419 5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.488 -6.183 8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.253 -6.236 8.832 1.00 0.00 H new ATOM 817 N CYS A 53 -2.243 -1.839 7.570 1.00 0.00 N ATOM 818 CA CYS A 53 -3.109 -0.922 8.359 1.00 0.00 C ATOM 819 C CYS A 53 -4.054 -1.743 9.237 1.00 0.00 C ATOM 820 O CYS A 53 -4.300 -2.906 8.982 1.00 0.00 O ATOM 821 CB CYS A 53 -3.925 -0.044 7.409 1.00 0.00 C ATOM 822 SG CYS A 53 -3.323 1.661 7.495 1.00 0.00 S ATOM 0 H CYS A 53 -2.693 -2.701 7.262 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.486 -0.288 8.990 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -3.842 -0.419 6.389 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.981 -0.082 7.678 1.00 0.00 H new ATOM 0 HG CYS A 53 -4.015 2.407 6.686 1.00 0.00 H new ATOM 827 N THR A 54 -4.583 -1.152 10.274 1.00 0.00 N ATOM 828 CA THR A 54 -5.508 -1.905 11.163 1.00 0.00 C ATOM 829 C THR A 54 -6.903 -1.935 10.534 1.00 0.00 C ATOM 830 O THR A 54 -7.187 -1.220 9.595 1.00 0.00 O ATOM 831 CB THR A 54 -5.576 -1.220 12.530 1.00 0.00 C ATOM 832 OG1 THR A 54 -4.620 -0.172 12.580 1.00 0.00 O ATOM 833 CG2 THR A 54 -5.276 -2.242 13.628 1.00 0.00 C ATOM 0 H THR A 54 -4.414 -0.182 10.542 1.00 0.00 H new ATOM 0 HA THR A 54 -5.143 -2.924 11.289 1.00 0.00 H new ATOM 0 HB THR A 54 -6.574 -0.808 12.683 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.550 0.163 13.498 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.324 -1.755 14.602 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.011 -3.046 13.588 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.278 -2.655 13.478 1.00 0.00 H new ATOM 841 N ARG A 55 -7.769 -2.772 11.031 1.00 0.00 N ATOM 842 CA ARG A 55 -9.136 -2.858 10.445 1.00 0.00 C ATOM 843 C ARG A 55 -9.924 -1.580 10.731 1.00 0.00 C ATOM 844 O ARG A 55 -10.141 -0.768 9.854 1.00 0.00 O ATOM 845 CB ARG A 55 -9.874 -4.059 11.041 1.00 0.00 C ATOM 846 CG ARG A 55 -11.235 -4.213 10.359 1.00 0.00 C ATOM 847 CD ARG A 55 -12.349 -4.050 11.395 1.00 0.00 C ATOM 848 NE ARG A 55 -12.293 -5.179 12.367 1.00 0.00 N ATOM 849 CZ ARG A 55 -12.783 -6.344 12.042 1.00 0.00 C ATOM 850 NH1 ARG A 55 -13.319 -6.522 10.866 1.00 0.00 N ATOM 851 NH2 ARG A 55 -12.736 -7.332 12.894 1.00 0.00 N ATOM 0 H ARG A 55 -7.591 -3.399 11.816 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.047 -2.979 9.365 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.284 -4.965 10.906 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.007 -3.922 12.114 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.345 -3.467 9.571 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.307 -5.191 9.884 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.238 -3.100 11.918 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.320 -4.030 10.900 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.872 -5.041 13.286 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.355 -5.750 10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.702 -7.433 10.613 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.316 -7.193 13.813 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.119 -8.243 12.640 1.00 0.00 H new ATOM 865 N GLY A 56 -10.369 -1.397 11.940 1.00 0.00 N ATOM 866 CA GLY A 56 -11.158 -0.175 12.263 1.00 0.00 C ATOM 867 C GLY A 56 -10.268 1.069 12.189 1.00 0.00 C ATOM 868 O GLY A 56 -10.544 2.069 12.822 1.00 0.00 O ATOM 0 H GLY A 56 -10.222 -2.039 12.719 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.990 -0.077 11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.587 -0.264 13.261 1.00 0.00 H new ATOM 872 N SER A 57 -9.201 1.024 11.432 1.00 0.00 N ATOM 873 CA SER A 57 -8.311 2.219 11.344 1.00 0.00 C ATOM 874 C SER A 57 -8.731 3.092 10.162 1.00 0.00 C ATOM 875 O SER A 57 -8.212 4.173 9.970 1.00 0.00 O ATOM 876 CB SER A 57 -6.862 1.774 11.151 1.00 0.00 C ATOM 877 OG SER A 57 -6.280 1.508 12.421 1.00 0.00 O ATOM 0 H SER A 57 -8.910 0.219 10.876 1.00 0.00 H new ATOM 0 HA SER A 57 -8.396 2.791 12.268 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.823 0.882 10.526 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.297 2.550 10.634 1.00 0.00 H new ATOM 0 HG SER A 57 -5.382 1.135 12.298 1.00 0.00 H new ATOM 883 N LEU A 58 -9.663 2.626 9.371 1.00 0.00 N ATOM 884 CA LEU A 58 -10.124 3.420 8.193 1.00 0.00 C ATOM 885 C LEU A 58 -11.650 3.517 8.214 1.00 0.00 C ATOM 886 O LEU A 58 -12.302 2.930 9.055 1.00 0.00 O ATOM 887 CB LEU A 58 -9.681 2.759 6.888 1.00 0.00 C ATOM 888 CG LEU A 58 -8.300 2.109 7.040 1.00 0.00 C ATOM 889 CD1 LEU A 58 -7.938 1.396 5.737 1.00 0.00 C ATOM 890 CD2 LEU A 58 -7.240 3.177 7.325 1.00 0.00 C ATOM 0 H LEU A 58 -10.127 1.725 9.491 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.683 4.415 8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.411 2.005 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.651 3.503 6.092 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.331 1.401 7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.957 0.931 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.683 0.629 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.916 2.118 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.264 2.702 7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.210 3.889 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.490 3.701 8.247 1.00 0.00 H new ATOM 902 N PHE A 59 -12.217 4.273 7.302 1.00 0.00 N ATOM 903 CA PHE A 59 -13.704 4.436 7.271 1.00 0.00 C ATOM 904 C PHE A 59 -14.264 3.960 5.926 1.00 0.00 C ATOM 905 O PHE A 59 -14.096 4.603 4.913 1.00 0.00 O ATOM 906 CB PHE A 59 -14.047 5.911 7.467 1.00 0.00 C ATOM 907 CG PHE A 59 -15.310 6.024 8.285 1.00 0.00 C ATOM 908 CD1 PHE A 59 -16.497 5.453 7.814 1.00 0.00 C ATOM 909 CD2 PHE A 59 -15.294 6.697 9.513 1.00 0.00 C ATOM 910 CE1 PHE A 59 -17.671 5.554 8.571 1.00 0.00 C ATOM 911 CE2 PHE A 59 -16.468 6.797 10.270 1.00 0.00 C ATOM 912 CZ PHE A 59 -17.655 6.226 9.799 1.00 0.00 C ATOM 0 H PHE A 59 -11.712 4.784 6.578 1.00 0.00 H new ATOM 0 HA PHE A 59 -14.146 3.838 8.068 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.227 6.423 7.970 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -14.181 6.397 6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -16.508 4.934 6.867 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.377 7.138 9.876 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -18.588 5.114 8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -16.457 7.315 11.218 1.00 0.00 H new ATOM 0 HZ PHE A 59 -18.560 6.304 10.383 1.00 0.00 H new ATOM 922 N MET A 60 -14.945 2.845 5.919 1.00 0.00 N ATOM 923 CA MET A 60 -15.525 2.322 4.645 1.00 0.00 C ATOM 924 C MET A 60 -16.708 3.192 4.200 1.00 0.00 C ATOM 925 O MET A 60 -17.463 3.694 5.010 1.00 0.00 O ATOM 926 CB MET A 60 -16.004 0.885 4.859 1.00 0.00 C ATOM 927 CG MET A 60 -14.807 -0.012 5.174 1.00 0.00 C ATOM 928 SD MET A 60 -15.148 -0.976 6.666 1.00 0.00 S ATOM 929 CE MET A 60 -13.442 -1.475 7.006 1.00 0.00 C ATOM 0 H MET A 60 -15.126 2.271 6.743 1.00 0.00 H new ATOM 0 HA MET A 60 -14.758 2.347 3.871 1.00 0.00 H new ATOM 0 HB2 MET A 60 -16.724 0.849 5.677 1.00 0.00 H new ATOM 0 HB3 MET A 60 -16.517 0.525 3.967 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.609 -0.679 4.335 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.913 0.595 5.317 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.422 -2.135 7.873 1.00 0.00 H new ATOM 0 HE2 MET A 60 -13.037 -2.000 6.141 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.838 -0.591 7.209 1.00 0.00 H new ATOM 939 N CYS A 61 -16.873 3.368 2.913 1.00 0.00 N ATOM 940 CA CYS A 61 -18.006 4.200 2.402 1.00 0.00 C ATOM 941 C CYS A 61 -19.295 3.377 2.413 1.00 0.00 C ATOM 942 O CYS A 61 -19.285 2.192 2.143 1.00 0.00 O ATOM 943 CB CYS A 61 -17.712 4.643 0.966 1.00 0.00 C ATOM 944 SG CYS A 61 -19.094 5.635 0.345 1.00 0.00 S ATOM 0 H CYS A 61 -16.271 2.971 2.192 1.00 0.00 H new ATOM 0 HA CYS A 61 -18.122 5.075 3.042 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -16.790 5.224 0.935 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.561 3.772 0.329 1.00 0.00 H new ATOM 0 HG CYS A 61 -18.644 6.761 -0.123 1.00 0.00 H new ATOM 1051 N ARG A 69 -13.647 4.066 -0.994 1.00 0.00 N ATOM 1052 CA ARG A 69 -14.254 3.206 0.060 1.00 0.00 C ATOM 1053 C ARG A 69 -13.646 3.515 1.429 1.00 0.00 C ATOM 1054 O ARG A 69 -14.315 4.014 2.311 1.00 0.00 O ATOM 1055 CB ARG A 69 -14.032 1.729 -0.279 1.00 0.00 C ATOM 1056 CG ARG A 69 -15.388 1.042 -0.421 1.00 0.00 C ATOM 1057 CD ARG A 69 -15.182 -0.450 -0.684 1.00 0.00 C ATOM 1058 NE ARG A 69 -14.588 -0.639 -2.038 1.00 0.00 N ATOM 1059 CZ ARG A 69 -13.982 -1.755 -2.335 1.00 0.00 C ATOM 1060 NH1 ARG A 69 -13.896 -2.707 -1.446 1.00 0.00 N ATOM 1061 NH2 ARG A 69 -13.462 -1.920 -3.520 1.00 0.00 N ATOM 0 HA ARG A 69 -15.323 3.414 0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.464 1.637 -1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.446 1.247 0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -15.976 1.184 0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.951 1.491 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.526 -0.877 0.075 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -16.134 -0.977 -0.616 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.656 0.105 -2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.303 -2.578 -0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.422 -3.580 -1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.529 -1.176 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.988 -2.793 -3.752 1.00 0.00 H new ATOM 1075 N THR A 70 -12.395 3.208 1.624 1.00 0.00 N ATOM 1076 CA THR A 70 -11.765 3.473 2.951 1.00 0.00 C ATOM 1077 C THR A 70 -11.060 4.831 2.952 1.00 0.00 C ATOM 1078 O THR A 70 -10.642 5.331 1.926 1.00 0.00 O ATOM 1079 CB THR A 70 -10.742 2.386 3.268 1.00 0.00 C ATOM 1080 OG1 THR A 70 -10.049 2.023 2.083 1.00 0.00 O ATOM 1081 CG2 THR A 70 -11.455 1.164 3.847 1.00 0.00 C ATOM 0 H THR A 70 -11.782 2.787 0.926 1.00 0.00 H new ATOM 0 HA THR A 70 -12.551 3.476 3.706 1.00 0.00 H new ATOM 0 HB THR A 70 -10.027 2.764 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.083 2.043 2.250 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.723 0.389 4.073 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.978 1.447 4.761 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.174 0.784 3.121 1.00 0.00 H new ATOM 1089 N TYR A 71 -10.909 5.420 4.110 1.00 0.00 N ATOM 1090 CA TYR A 71 -10.216 6.731 4.206 1.00 0.00 C ATOM 1091 C TYR A 71 -9.532 6.825 5.569 1.00 0.00 C ATOM 1092 O TYR A 71 -9.633 5.929 6.384 1.00 0.00 O ATOM 1093 CB TYR A 71 -11.224 7.867 4.062 1.00 0.00 C ATOM 1094 CG TYR A 71 -11.946 7.734 2.741 1.00 0.00 C ATOM 1095 CD1 TYR A 71 -13.049 6.880 2.628 1.00 0.00 C ATOM 1096 CD2 TYR A 71 -11.507 8.461 1.628 1.00 0.00 C ATOM 1097 CE1 TYR A 71 -13.714 6.755 1.404 1.00 0.00 C ATOM 1098 CE2 TYR A 71 -12.172 8.333 0.403 1.00 0.00 C ATOM 1099 CZ TYR A 71 -13.277 7.478 0.293 1.00 0.00 C ATOM 1100 OH TYR A 71 -13.929 7.344 -0.913 1.00 0.00 O ATOM 0 H TYR A 71 -11.240 5.043 4.998 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.477 6.814 3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.939 7.840 4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.714 8.829 4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.387 6.318 3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.656 9.120 1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.567 6.098 1.318 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.834 8.893 -0.457 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.970 6.396 -1.159 1.00 0.00 H new ATOM 1110 N LEU A 72 -8.818 7.891 5.811 1.00 0.00 N ATOM 1111 CA LEU A 72 -8.100 8.039 7.110 1.00 0.00 C ATOM 1112 C LEU A 72 -8.848 9.006 8.027 1.00 0.00 C ATOM 1113 O LEU A 72 -8.543 9.116 9.198 1.00 0.00 O ATOM 1114 CB LEU A 72 -6.687 8.577 6.854 1.00 0.00 C ATOM 1115 CG LEU A 72 -6.345 8.468 5.365 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -4.915 8.957 5.134 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -6.455 7.007 4.916 1.00 0.00 C ATOM 0 H LEU A 72 -8.701 8.669 5.162 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.046 7.063 7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.621 9.617 7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.963 8.015 7.444 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.041 9.079 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.671 8.880 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.830 9.996 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.223 8.344 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.211 6.933 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.760 6.396 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.472 6.652 5.080 1.00 0.00 H new ATOM 1129 N SER A 73 -9.819 9.713 7.521 1.00 0.00 N ATOM 1130 CA SER A 73 -10.557 10.665 8.398 1.00 0.00 C ATOM 1131 C SER A 73 -11.910 11.022 7.782 1.00 0.00 C ATOM 1132 O SER A 73 -12.025 11.241 6.593 1.00 0.00 O ATOM 1133 CB SER A 73 -9.729 11.940 8.570 1.00 0.00 C ATOM 1134 OG SER A 73 -8.580 11.649 9.356 1.00 0.00 O ATOM 0 H SER A 73 -10.131 9.675 6.551 1.00 0.00 H new ATOM 0 HA SER A 73 -10.724 10.194 9.366 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.430 12.328 7.596 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.327 12.714 9.051 1.00 0.00 H new ATOM 0 HG SER A 73 -8.645 10.736 9.705 1.00 0.00 H new ATOM 1140 N GLN A 74 -12.935 11.077 8.591 1.00 0.00 N ATOM 1141 CA GLN A 74 -14.291 11.421 8.079 1.00 0.00 C ATOM 1142 C GLN A 74 -14.190 12.589 7.099 1.00 0.00 C ATOM 1143 O GLN A 74 -14.960 12.702 6.170 1.00 0.00 O ATOM 1144 CB GLN A 74 -15.185 11.818 9.251 1.00 0.00 C ATOM 1145 CG GLN A 74 -15.328 10.624 10.191 1.00 0.00 C ATOM 1146 CD GLN A 74 -16.478 9.737 9.717 1.00 0.00 C ATOM 1147 OE1 GLN A 74 -16.321 9.009 8.647 1.00 0.00 O flip ATOM 1148 NE2 GLN A 74 -17.530 9.707 10.325 1.00 0.00 N flip ATOM 0 H GLN A 74 -12.889 10.896 9.594 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.716 10.557 7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.755 12.667 9.783 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -16.164 12.132 8.889 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.400 10.053 10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.516 10.969 11.208 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.652 10.277 11.162 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -18.291 9.112 9.998 1.00 0.00 H new ATOM 1157 N ARG A 75 -13.248 13.463 7.310 1.00 0.00 N ATOM 1158 CA ARG A 75 -13.089 14.633 6.405 1.00 0.00 C ATOM 1159 C ARG A 75 -12.674 14.162 5.011 1.00 0.00 C ATOM 1160 O ARG A 75 -13.014 14.763 4.012 1.00 0.00 O ATOM 1161 CB ARG A 75 -11.999 15.542 6.969 1.00 0.00 C ATOM 1162 CG ARG A 75 -11.936 16.839 6.165 1.00 0.00 C ATOM 1163 CD ARG A 75 -10.477 17.183 5.862 1.00 0.00 C ATOM 1164 NE ARG A 75 -10.387 18.589 5.378 1.00 0.00 N ATOM 1165 CZ ARG A 75 -9.227 19.184 5.311 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -8.146 18.546 5.668 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -9.149 20.415 4.887 1.00 0.00 N ATOM 0 H ARG A 75 -12.576 13.417 8.076 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.035 15.171 6.334 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.204 15.763 8.017 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.035 15.034 6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.495 16.730 5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.403 17.649 6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.869 17.056 6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.081 16.502 5.109 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.232 19.087 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.208 17.583 5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.239 19.010 5.616 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.994 20.913 4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.243 20.880 4.835 1.00 0.00 H new ATOM 1181 N ASP A 76 -11.945 13.092 4.938 1.00 0.00 N ATOM 1182 CA ASP A 76 -11.505 12.582 3.616 1.00 0.00 C ATOM 1183 C ASP A 76 -12.601 11.685 3.065 1.00 0.00 C ATOM 1184 O ASP A 76 -12.837 11.622 1.873 1.00 0.00 O ATOM 1185 CB ASP A 76 -10.212 11.778 3.776 1.00 0.00 C ATOM 1186 CG ASP A 76 -9.051 12.732 4.063 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -9.292 13.928 4.116 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -7.942 12.252 4.227 1.00 0.00 O ATOM 0 H ASP A 76 -11.633 12.545 5.740 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.319 13.412 2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.316 11.060 4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.012 11.207 2.870 1.00 0.00 H new ATOM 1193 N LEU A 77 -13.293 11.009 3.931 1.00 0.00 N ATOM 1194 CA LEU A 77 -14.384 10.138 3.463 1.00 0.00 C ATOM 1195 C LEU A 77 -15.555 11.020 3.123 1.00 0.00 C ATOM 1196 O LEU A 77 -16.271 10.762 2.190 1.00 0.00 O ATOM 1197 CB LEU A 77 -14.771 9.149 4.567 1.00 0.00 C ATOM 1198 CG LEU A 77 -16.234 8.698 4.396 1.00 0.00 C ATOM 1199 CD1 LEU A 77 -16.425 7.330 5.053 1.00 0.00 C ATOM 1200 CD2 LEU A 77 -17.205 9.699 5.048 1.00 0.00 C ATOM 0 H LEU A 77 -13.147 11.025 4.940 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.072 9.566 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.111 8.282 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.639 9.615 5.544 1.00 0.00 H new ATOM 0 HG LEU A 77 -16.449 8.644 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.460 7.010 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.763 6.604 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.188 7.400 6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.230 9.354 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.987 9.776 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.086 10.677 4.582 1.00 0.00 H new ATOM 1212 N GLN A 78 -15.736 12.076 3.861 1.00 0.00 N ATOM 1213 CA GLN A 78 -16.860 12.987 3.556 1.00 0.00 C ATOM 1214 C GLN A 78 -16.501 13.730 2.294 1.00 0.00 C ATOM 1215 O GLN A 78 -17.334 14.013 1.446 1.00 0.00 O ATOM 1216 CB GLN A 78 -17.074 13.971 4.710 1.00 0.00 C ATOM 1217 CG GLN A 78 -18.374 14.747 4.486 1.00 0.00 C ATOM 1218 CD GLN A 78 -19.565 13.868 4.868 1.00 0.00 C ATOM 1219 OE1 GLN A 78 -19.803 13.620 6.034 1.00 0.00 O ATOM 1220 NE2 GLN A 78 -20.330 13.382 3.929 1.00 0.00 N ATOM 0 H GLN A 78 -15.156 12.343 4.657 1.00 0.00 H new ATOM 0 HA GLN A 78 -17.786 12.427 3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -17.118 13.433 5.657 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -16.233 14.661 4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -18.374 15.658 5.085 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -18.453 15.051 3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -20.131 13.590 2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -21.127 12.794 4.174 1.00 0.00 H new ATOM 1229 N ALA A 79 -15.246 14.012 2.144 1.00 0.00 N ATOM 1230 CA ALA A 79 -14.802 14.700 0.925 1.00 0.00 C ATOM 1231 C ALA A 79 -14.909 13.708 -0.218 1.00 0.00 C ATOM 1232 O ALA A 79 -14.972 14.083 -1.372 1.00 0.00 O ATOM 1233 CB ALA A 79 -13.353 15.159 1.089 1.00 0.00 C ATOM 0 H ALA A 79 -14.511 13.793 2.817 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.416 15.579 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.028 15.669 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.281 15.842 1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.715 14.293 1.267 1.00 0.00 H new ATOM 1239 N HIS A 80 -14.947 12.434 0.083 1.00 0.00 N ATOM 1240 CA HIS A 80 -15.061 11.455 -1.023 1.00 0.00 C ATOM 1241 C HIS A 80 -16.511 11.432 -1.508 1.00 0.00 C ATOM 1242 O HIS A 80 -16.782 11.350 -2.690 1.00 0.00 O ATOM 1243 CB HIS A 80 -14.602 10.072 -0.550 1.00 0.00 C ATOM 1244 CG HIS A 80 -15.774 9.170 -0.267 1.00 0.00 C ATOM 1245 ND1 HIS A 80 -16.000 8.631 0.988 1.00 0.00 N ATOM 1246 CD2 HIS A 80 -16.768 8.672 -1.071 1.00 0.00 C ATOM 1247 CE1 HIS A 80 -17.089 7.846 0.902 1.00 0.00 C ATOM 1248 NE2 HIS A 80 -17.595 7.834 -0.332 1.00 0.00 N ATOM 0 H HIS A 80 -14.905 12.043 1.024 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.417 11.744 -1.854 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -13.967 9.618 -1.311 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.996 10.176 0.350 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -15.442 8.799 1.825 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.890 8.897 -2.120 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.503 7.293 1.732 1.00 0.00 H new ATOM 1256 N ILE A 81 -17.442 11.518 -0.602 1.00 0.00 N ATOM 1257 CA ILE A 81 -18.880 11.515 -1.001 1.00 0.00 C ATOM 1258 C ILE A 81 -19.124 12.671 -1.951 1.00 0.00 C ATOM 1259 O ILE A 81 -19.627 12.507 -3.038 1.00 0.00 O ATOM 1260 CB ILE A 81 -19.823 11.745 0.200 1.00 0.00 C ATOM 1261 CG1 ILE A 81 -19.346 11.011 1.447 1.00 0.00 C ATOM 1262 CG2 ILE A 81 -21.240 11.279 -0.146 1.00 0.00 C ATOM 1263 CD1 ILE A 81 -19.682 9.523 1.357 1.00 0.00 C ATOM 0 H ILE A 81 -17.271 11.591 0.401 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.085 10.542 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.821 12.814 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.270 11.140 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.815 11.442 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.897 11.446 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -21.609 11.842 -1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -21.224 10.217 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -19.333 9.016 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.761 9.399 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -19.192 9.091 0.484 1.00 0.00 H new ATOM 1275 N ASN A 82 -18.788 13.852 -1.526 1.00 0.00 N ATOM 1276 CA ASN A 82 -19.030 15.038 -2.380 1.00 0.00 C ATOM 1277 C ASN A 82 -18.137 14.974 -3.605 1.00 0.00 C ATOM 1278 O ASN A 82 -18.438 15.553 -4.630 1.00 0.00 O ATOM 1279 CB ASN A 82 -18.716 16.309 -1.587 1.00 0.00 C ATOM 1280 CG ASN A 82 -19.059 16.088 -0.113 1.00 0.00 C ATOM 1281 OD1 ASN A 82 -20.117 15.583 0.209 1.00 0.00 O ATOM 1282 ND2 ASN A 82 -18.204 16.449 0.805 1.00 0.00 N ATOM 0 H ASN A 82 -18.356 14.046 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 82 -20.074 15.052 -2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -17.662 16.565 -1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -19.288 17.148 -1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.424 16.307 1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.316 16.873 0.536 1.00 0.00 H new ATOM 1289 N HIS A 83 -17.032 14.291 -3.511 1.00 0.00 N ATOM 1290 CA HIS A 83 -16.127 14.225 -4.685 1.00 0.00 C ATOM 1291 C HIS A 83 -16.479 13.053 -5.611 1.00 0.00 C ATOM 1292 O HIS A 83 -15.930 12.947 -6.690 1.00 0.00 O ATOM 1293 CB HIS A 83 -14.676 14.086 -4.225 1.00 0.00 C ATOM 1294 CG HIS A 83 -14.242 15.352 -3.539 1.00 0.00 C ATOM 1295 ND1 HIS A 83 -12.936 15.552 -3.114 1.00 0.00 N ATOM 1296 CD2 HIS A 83 -14.926 16.492 -3.199 1.00 0.00 C ATOM 1297 CE1 HIS A 83 -12.875 16.771 -2.546 1.00 0.00 C ATOM 1298 NE2 HIS A 83 -14.061 17.383 -2.573 1.00 0.00 N ATOM 0 H HIS A 83 -16.721 13.783 -2.683 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.253 15.152 -5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -14.579 13.240 -3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.031 13.884 -5.080 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -15.974 16.670 -3.388 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.979 17.200 -2.122 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.286 18.310 -2.211 1.00 0.00 H new ATOM 1307 N ARG A 84 -17.335 12.145 -5.190 1.00 0.00 N ATOM 1308 CA ARG A 84 -17.639 10.956 -6.052 1.00 0.00 C ATOM 1309 C ARG A 84 -19.112 10.870 -6.472 1.00 0.00 C ATOM 1310 O ARG A 84 -19.405 10.655 -7.632 1.00 0.00 O ATOM 1311 CB ARG A 84 -17.252 9.698 -5.279 1.00 0.00 C ATOM 1312 CG ARG A 84 -15.745 9.734 -4.995 1.00 0.00 C ATOM 1313 CD ARG A 84 -14.954 9.578 -6.303 1.00 0.00 C ATOM 1314 NE ARG A 84 -13.815 8.641 -6.090 1.00 0.00 N ATOM 1315 CZ ARG A 84 -12.671 9.085 -5.644 1.00 0.00 C ATOM 1316 NH1 ARG A 84 -12.528 10.347 -5.342 1.00 0.00 N ATOM 1317 NH2 ARG A 84 -11.671 8.263 -5.493 1.00 0.00 N ATOM 0 H ARG A 84 -17.829 12.176 -4.298 1.00 0.00 H new ATOM 0 HA ARG A 84 -17.064 11.056 -6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -17.811 9.643 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -17.506 8.808 -5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -15.481 10.675 -4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -15.479 8.935 -4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -15.606 9.201 -7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -14.583 10.548 -6.633 1.00 0.00 H new ATOM 0 HE ARG A 84 -13.930 7.648 -6.294 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.312 10.990 -5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.633 10.690 -4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.783 7.276 -5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.776 8.607 -5.145 1.00 0.00 H new ATOM 1331 N HIS A 85 -20.032 11.005 -5.562 1.00 0.00 N ATOM 1332 CA HIS A 85 -21.475 10.897 -5.941 1.00 0.00 C ATOM 1333 C HIS A 85 -22.288 11.965 -5.212 1.00 0.00 C ATOM 1334 O HIS A 85 -23.358 12.342 -5.642 1.00 0.00 O ATOM 1335 CB HIS A 85 -21.995 9.508 -5.562 1.00 0.00 C ATOM 1336 CG HIS A 85 -21.038 8.851 -4.602 1.00 0.00 C ATOM 1337 ND1 HIS A 85 -20.441 7.629 -4.869 1.00 0.00 N ATOM 1338 CD2 HIS A 85 -20.574 9.235 -3.370 1.00 0.00 C ATOM 1339 CE1 HIS A 85 -19.657 7.322 -3.817 1.00 0.00 C ATOM 1340 NE2 HIS A 85 -19.700 8.265 -2.874 1.00 0.00 N ATOM 0 H HIS A 85 -19.853 11.185 -4.574 1.00 0.00 H new ATOM 0 HA HIS A 85 -21.577 11.046 -7.016 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -22.982 9.591 -5.107 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -22.106 8.895 -6.456 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -20.843 10.148 -2.861 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -19.065 6.421 -3.746 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.202 8.275 -1.984 1.00 0.00 H new