USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 527 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 47 HIS : no HD1:sc= -3.76! C(o=-3.3!,f=-2.9!) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.417 K(o=-3.3,f=-12!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.374 K(o=0.41,f=-3!) USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.783 K(o=0.41,f=-4.3!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -1.14! C(o=-5!,f=-8.3!) USER MOD Set 3.2: A 21 GLN : amide:sc= -3.51! C(o=-5!,f=-6.4!) USER MOD Set 3.3: A 31 HIS : no HD1:sc= -0.349 X(o=-5,f=-5) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0391 X(o=-0.039,f=-0.17) USER MOD Single : A 14 LYS NZ :NH3+ -111:sc= -0.24 (180deg=-2.05!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 8:sc= 0.0291 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= -0.11 USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0134) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.124 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0564 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 3.962 11.338 5.109 1.00 0.00 N ATOM 12 CA ASP A 2 3.337 10.029 5.199 1.00 0.00 C ATOM 13 C ASP A 2 2.306 9.883 4.078 1.00 0.00 C ATOM 14 O ASP A 2 2.159 8.806 3.501 1.00 0.00 O ATOM 15 CB ASP A 2 2.611 9.856 6.534 1.00 0.00 C ATOM 16 CG ASP A 2 2.950 10.905 7.595 1.00 0.00 C ATOM 17 OD1 ASP A 2 2.134 11.785 7.907 1.00 0.00 O ATOM 18 OD2 ASP A 2 4.124 10.792 8.117 1.00 0.00 O ATOM 0 HA ASP A 2 4.120 9.275 5.114 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.537 9.879 6.352 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.845 8.869 6.933 1.00 0.00 H new ATOM 24 N ASP A 3 1.619 10.982 3.802 1.00 0.00 N ATOM 25 CA ASP A 3 0.607 10.990 2.760 1.00 0.00 C ATOM 26 C ASP A 3 1.281 10.817 1.398 1.00 0.00 C ATOM 27 O ASP A 3 2.106 11.638 1.000 1.00 0.00 O ATOM 28 CB ASP A 3 -0.157 12.315 2.744 1.00 0.00 C ATOM 29 CG ASP A 3 -0.150 13.082 4.068 1.00 0.00 C ATOM 30 OD1 ASP A 3 -0.911 12.764 4.994 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.694 14.056 4.130 1.00 0.00 O ATOM 0 H ASP A 3 1.744 11.873 4.282 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.088 10.175 2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.269 12.953 1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.191 12.117 2.461 1.00 0.00 H new ATOM 37 N ILE A 4 0.906 9.742 0.719 1.00 0.00 N ATOM 38 CA ILE A 4 1.464 9.451 -0.590 1.00 0.00 C ATOM 39 C ILE A 4 0.333 9.077 -1.551 1.00 0.00 C ATOM 40 O ILE A 4 -0.486 8.213 -1.244 1.00 0.00 O ATOM 41 CB ILE A 4 2.556 8.385 -0.482 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.702 8.863 0.412 1.00 0.00 C ATOM 43 CG2 ILE A 4 3.049 7.962 -1.867 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.906 7.924 0.311 1.00 0.00 C ATOM 0 H ILE A 4 0.222 9.062 1.052 1.00 0.00 H new ATOM 0 HA ILE A 4 1.952 10.335 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 4 2.125 7.502 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.998 9.871 0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.363 8.915 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.825 7.204 -1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.217 7.553 -2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.457 8.828 -2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.706 8.287 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.613 6.922 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.258 7.893 -0.720 1.00 0.00 H new ATOM 56 N VAL A 5 0.325 9.747 -2.694 1.00 0.00 N ATOM 57 CA VAL A 5 -0.692 9.496 -3.701 1.00 0.00 C ATOM 58 C VAL A 5 -0.103 8.617 -4.806 1.00 0.00 C ATOM 59 O VAL A 5 0.918 8.961 -5.401 1.00 0.00 O ATOM 60 CB VAL A 5 -1.249 10.821 -4.224 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.272 10.585 -5.337 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.854 11.648 -3.088 1.00 0.00 C ATOM 0 H VAL A 5 1.006 10.463 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.533 8.954 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.420 11.389 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.652 11.543 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.796 10.056 -6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.098 9.987 -4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.243 12.585 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.665 11.088 -2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.086 11.861 -2.344 1.00 0.00 H new ATOM 72 N LEU A 6 -0.771 7.498 -5.048 1.00 0.00 N ATOM 73 CA LEU A 6 -0.326 6.568 -6.071 1.00 0.00 C ATOM 74 C LEU A 6 -1.194 6.736 -7.320 1.00 0.00 C ATOM 75 O LEU A 6 -2.313 6.228 -7.376 1.00 0.00 O ATOM 76 CB LEU A 6 -0.307 5.139 -5.524 1.00 0.00 C ATOM 77 CG LEU A 6 0.593 4.897 -4.311 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.243 3.576 -3.623 1.00 0.00 C ATOM 79 CD2 LEU A 6 2.071 4.966 -4.702 1.00 0.00 C ATOM 0 H LEU A 6 -1.617 7.215 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 6 0.701 6.787 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.326 4.860 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.007 4.469 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 6 0.414 5.693 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.898 3.428 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.794 3.604 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.376 2.753 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.689 4.791 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.285 4.205 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.294 5.952 -5.111 1.00 0.00 H new ATOM 91 N LYS A 7 -0.645 7.452 -8.291 1.00 0.00 N ATOM 92 CA LYS A 7 -1.355 7.694 -9.535 1.00 0.00 C ATOM 93 C LYS A 7 -1.841 6.360 -10.108 1.00 0.00 C ATOM 94 O LYS A 7 -1.133 5.357 -10.039 1.00 0.00 O ATOM 95 CB LYS A 7 -0.483 8.497 -10.502 1.00 0.00 C ATOM 96 CG LYS A 7 0.620 7.623 -11.102 1.00 0.00 C ATOM 97 CD LYS A 7 0.101 6.834 -12.306 1.00 0.00 C ATOM 98 CE LYS A 7 0.594 5.387 -12.268 1.00 0.00 C ATOM 99 NZ LYS A 7 1.117 4.982 -13.592 1.00 0.00 N ATOM 0 H LYS A 7 0.283 7.872 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.239 8.306 -9.356 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.102 8.907 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.037 9.343 -9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.459 8.248 -11.407 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.995 6.934 -10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.989 6.850 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.433 7.311 -13.228 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.375 5.282 -11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.222 4.726 -11.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.447 3.997 -13.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.362 5.063 -14.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.909 5.601 -13.857 1.00 0.00 H new ATOM 112 N ALA A 8 -3.044 6.394 -10.661 1.00 0.00 N ATOM 113 CA ALA A 8 -3.632 5.201 -11.246 1.00 0.00 C ATOM 114 C ALA A 8 -4.592 5.607 -12.366 1.00 0.00 C ATOM 115 O ALA A 8 -5.277 6.623 -12.263 1.00 0.00 O ATOM 116 CB ALA A 8 -4.324 4.384 -10.152 1.00 0.00 C ATOM 0 H ALA A 8 -3.628 7.229 -10.716 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.861 4.569 -11.686 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.765 3.489 -10.590 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.593 4.096 -9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.107 4.985 -9.689 1.00 0.00 H new ATOM 122 N LYS A 9 -4.612 4.791 -13.410 1.00 0.00 N ATOM 123 CA LYS A 9 -5.476 5.053 -14.548 1.00 0.00 C ATOM 124 C LYS A 9 -6.892 4.569 -14.229 1.00 0.00 C ATOM 125 O LYS A 9 -7.770 4.595 -15.090 1.00 0.00 O ATOM 126 CB LYS A 9 -4.889 4.438 -15.820 1.00 0.00 C ATOM 127 CG LYS A 9 -4.911 2.910 -15.751 1.00 0.00 C ATOM 128 CD LYS A 9 -4.855 2.297 -17.152 1.00 0.00 C ATOM 129 CE LYS A 9 -4.830 0.769 -17.082 1.00 0.00 C ATOM 130 NZ LYS A 9 -5.670 0.187 -18.152 1.00 0.00 N ATOM 0 H LYS A 9 -4.043 3.948 -13.491 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.539 6.124 -14.739 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.458 4.775 -16.687 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.865 4.785 -15.957 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.065 2.557 -15.162 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.815 2.578 -15.241 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.719 2.624 -17.730 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.968 2.655 -17.674 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.805 0.411 -17.181 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.190 0.438 -16.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.642 -0.851 -18.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.651 0.514 -18.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.309 0.488 -19.080 1.00 0.00 H new ATOM 143 N ASN A 10 -7.071 4.140 -12.988 1.00 0.00 N ATOM 144 CA ASN A 10 -8.366 3.651 -12.545 1.00 0.00 C ATOM 145 C ASN A 10 -8.705 4.277 -11.190 1.00 0.00 C ATOM 146 O ASN A 10 -9.416 3.676 -10.386 1.00 0.00 O ATOM 147 CB ASN A 10 -8.351 2.131 -12.373 1.00 0.00 C ATOM 148 CG ASN A 10 -9.662 1.512 -12.862 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.120 1.757 -13.966 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.237 0.698 -11.982 1.00 0.00 N ATOM 0 H ASN A 10 -6.341 4.121 -12.276 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.105 3.921 -13.299 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.515 1.707 -12.928 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.196 1.882 -11.323 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.116 0.235 -12.214 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.800 0.537 -11.075 1.00 0.00 H new ATOM 157 N GLY A 11 -8.181 5.475 -10.980 1.00 0.00 N ATOM 158 CA GLY A 11 -8.420 6.189 -9.736 1.00 0.00 C ATOM 159 C GLY A 11 -7.201 6.107 -8.814 1.00 0.00 C ATOM 160 O GLY A 11 -6.832 5.024 -8.363 1.00 0.00 O ATOM 0 H GLY A 11 -7.592 5.970 -11.650 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.649 7.233 -9.950 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.290 5.768 -9.232 1.00 0.00 H new ATOM 164 N ASP A 12 -6.611 7.266 -8.563 1.00 0.00 N ATOM 165 CA ASP A 12 -5.442 7.339 -7.703 1.00 0.00 C ATOM 166 C ASP A 12 -5.748 6.647 -6.373 1.00 0.00 C ATOM 167 O ASP A 12 -6.908 6.536 -5.981 1.00 0.00 O ATOM 168 CB ASP A 12 -5.067 8.792 -7.405 1.00 0.00 C ATOM 169 CG ASP A 12 -6.084 9.562 -6.561 1.00 0.00 C ATOM 170 OD1 ASP A 12 -5.772 10.035 -5.458 1.00 0.00 O ATOM 171 OD2 ASP A 12 -7.258 9.670 -7.086 1.00 0.00 O ATOM 0 H ASP A 12 -6.920 8.162 -8.940 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.614 6.851 -8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.106 8.805 -6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.930 9.317 -8.350 1.00 0.00 H new ATOM 177 N VAL A 13 -4.687 6.201 -5.717 1.00 0.00 N ATOM 178 CA VAL A 13 -4.828 5.524 -4.439 1.00 0.00 C ATOM 179 C VAL A 13 -4.126 6.341 -3.353 1.00 0.00 C ATOM 180 O VAL A 13 -2.962 6.711 -3.505 1.00 0.00 O ATOM 181 CB VAL A 13 -4.300 4.092 -4.545 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.467 3.346 -3.219 1.00 0.00 C ATOM 183 CG2 VAL A 13 -4.985 3.338 -5.688 1.00 0.00 C ATOM 0 H VAL A 13 -3.726 6.295 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.879 5.449 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.234 4.144 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.084 2.331 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.913 3.865 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.523 3.310 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.592 2.323 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.059 3.302 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.792 3.852 -6.630 1.00 0.00 H new ATOM 193 N LYS A 14 -4.861 6.598 -2.282 1.00 0.00 N ATOM 194 CA LYS A 14 -4.323 7.365 -1.171 1.00 0.00 C ATOM 195 C LYS A 14 -3.709 6.408 -0.147 1.00 0.00 C ATOM 196 O LYS A 14 -4.427 5.688 0.544 1.00 0.00 O ATOM 197 CB LYS A 14 -5.396 8.285 -0.586 1.00 0.00 C ATOM 198 CG LYS A 14 -4.768 9.375 0.285 1.00 0.00 C ATOM 199 CD LYS A 14 -3.757 10.201 -0.514 1.00 0.00 C ATOM 200 CE LYS A 14 -3.921 11.695 -0.227 1.00 0.00 C ATOM 201 NZ LYS A 14 -4.523 12.383 -1.390 1.00 0.00 N ATOM 0 H LYS A 14 -5.825 6.289 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.524 8.023 -1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.967 8.744 -1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.098 7.699 0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.548 10.028 0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.274 8.920 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.744 9.887 -0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.891 10.015 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.550 11.836 0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.951 12.136 0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.816 13.006 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.841 11.677 -2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.336 12.950 -1.075 1.00 0.00 H new ATOM 214 N PHE A 15 -2.386 6.432 -0.082 1.00 0.00 N ATOM 215 CA PHE A 15 -1.666 5.576 0.846 1.00 0.00 C ATOM 216 C PHE A 15 -1.061 6.393 1.988 1.00 0.00 C ATOM 217 O PHE A 15 -0.253 7.297 1.788 1.00 0.00 O ATOM 218 CB PHE A 15 -0.538 4.910 0.056 1.00 0.00 C ATOM 219 CG PHE A 15 0.434 4.103 0.920 1.00 0.00 C ATOM 220 CD1 PHE A 15 1.391 4.742 1.646 1.00 0.00 C ATOM 221 CD2 PHE A 15 0.340 2.747 0.963 1.00 0.00 C ATOM 222 CE1 PHE A 15 2.292 3.993 2.447 1.00 0.00 C ATOM 223 CE2 PHE A 15 1.242 1.998 1.764 1.00 0.00 C ATOM 224 CZ PHE A 15 2.199 2.637 2.490 1.00 0.00 C ATOM 0 H PHE A 15 -1.793 7.031 -0.657 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.345 4.843 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.974 4.251 -0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.020 5.678 -0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.465 5.819 1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.421 2.240 0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.052 4.500 3.023 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.168 0.921 1.797 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.884 2.068 3.100 1.00 0.00 H new ATOM 234 N PRO A 16 -1.475 6.049 3.210 1.00 0.00 N ATOM 235 CA PRO A 16 -1.032 6.685 4.431 1.00 0.00 C ATOM 236 C PRO A 16 0.273 6.053 4.892 1.00 0.00 C ATOM 237 O PRO A 16 0.230 5.011 5.545 1.00 0.00 O ATOM 238 CB PRO A 16 -2.152 6.425 5.437 1.00 0.00 C ATOM 239 CG PRO A 16 -2.690 5.076 4.983 1.00 0.00 C ATOM 240 CD PRO A 16 -2.424 4.991 3.482 1.00 0.00 C ATOM 0 HA PRO A 16 -0.843 7.752 4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.779 6.390 6.461 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.917 7.200 5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.195 4.262 5.512 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.756 4.992 5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.019 4.017 3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.342 5.127 2.910 1.00 0.00 H new ATOM 248 N HIS A 17 1.390 6.679 4.551 1.00 0.00 N ATOM 249 CA HIS A 17 2.689 6.158 4.939 1.00 0.00 C ATOM 250 C HIS A 17 2.987 6.550 6.388 1.00 0.00 C ATOM 251 O HIS A 17 4.065 7.062 6.687 1.00 0.00 O ATOM 252 CB HIS A 17 3.774 6.620 3.965 1.00 0.00 C ATOM 253 CG HIS A 17 5.118 5.971 4.189 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.987 6.372 5.189 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.734 4.945 3.533 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.073 5.616 5.128 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.914 4.733 4.101 1.00 0.00 N ATOM 0 H HIS A 17 1.422 7.543 4.010 1.00 0.00 H new ATOM 0 HA HIS A 17 2.677 5.069 4.888 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.446 6.411 2.947 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.886 7.701 4.048 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.820 7.122 5.859 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.330 4.398 2.694 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.933 5.687 5.777 1.00 0.00 H new ATOM 265 N LYS A 18 2.013 6.295 7.249 1.00 0.00 N ATOM 266 CA LYS A 18 2.157 6.614 8.659 1.00 0.00 C ATOM 267 C LYS A 18 1.539 5.494 9.498 1.00 0.00 C ATOM 268 O LYS A 18 2.251 4.764 10.186 1.00 0.00 O ATOM 269 CB LYS A 18 1.576 7.998 8.957 1.00 0.00 C ATOM 270 CG LYS A 18 0.991 8.054 10.370 1.00 0.00 C ATOM 271 CD LYS A 18 1.080 9.470 10.943 1.00 0.00 C ATOM 272 CE LYS A 18 1.637 9.450 12.368 1.00 0.00 C ATOM 273 NZ LYS A 18 2.136 10.790 12.749 1.00 0.00 N ATOM 0 H LYS A 18 1.120 5.871 6.997 1.00 0.00 H new ATOM 0 HA LYS A 18 3.211 6.670 8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.354 8.754 8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.801 8.235 8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.050 7.730 10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.528 7.361 11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.718 10.084 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.092 9.930 10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.860 9.134 13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.444 8.721 12.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.510 10.758 13.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.892 11.078 12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.357 11.477 12.701 1.00 0.00 H new ATOM 286 N ALA A 19 0.221 5.393 9.412 1.00 0.00 N ATOM 287 CA ALA A 19 -0.501 4.374 10.155 1.00 0.00 C ATOM 288 C ALA A 19 0.090 3.000 9.832 1.00 0.00 C ATOM 289 O ALA A 19 -0.033 2.066 10.624 1.00 0.00 O ATOM 290 CB ALA A 19 -1.992 4.460 9.823 1.00 0.00 C ATOM 0 H ALA A 19 -0.366 6.000 8.839 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.397 4.534 11.228 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.534 3.696 10.380 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.370 5.445 10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.137 4.301 8.754 1.00 0.00 H new ATOM 296 N HIS A 20 0.718 2.919 8.668 1.00 0.00 N ATOM 297 CA HIS A 20 1.327 1.675 8.232 1.00 0.00 C ATOM 298 C HIS A 20 2.669 1.483 8.942 1.00 0.00 C ATOM 299 O HIS A 20 3.365 0.497 8.707 1.00 0.00 O ATOM 300 CB HIS A 20 1.453 1.637 6.707 1.00 0.00 C ATOM 301 CG HIS A 20 0.168 1.292 5.994 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.724 2.253 5.550 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.365 0.084 5.651 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.745 1.640 4.969 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.520 0.296 5.032 1.00 0.00 N ATOM 0 H HIS A 20 0.818 3.695 8.014 1.00 0.00 H new ATOM 0 HA HIS A 20 0.687 0.837 8.507 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.801 2.609 6.357 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.216 0.908 6.434 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.614 3.262 5.653 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.078 -0.881 5.849 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.604 2.120 4.524 1.00 0.00 H new ATOM 313 N GLN A 21 2.991 2.443 9.797 1.00 0.00 N ATOM 314 CA GLN A 21 4.237 2.392 10.544 1.00 0.00 C ATOM 315 C GLN A 21 4.002 1.783 11.927 1.00 0.00 C ATOM 316 O GLN A 21 4.659 0.813 12.302 1.00 0.00 O ATOM 317 CB GLN A 21 4.865 3.783 10.656 1.00 0.00 C ATOM 318 CG GLN A 21 5.267 4.316 9.280 1.00 0.00 C ATOM 319 CD GLN A 21 5.435 5.836 9.308 1.00 0.00 C ATOM 320 OE1 GLN A 21 4.970 6.521 10.204 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.122 6.324 8.279 1.00 0.00 N ATOM 0 H GLN A 21 2.411 3.260 9.989 1.00 0.00 H new ATOM 0 HA GLN A 21 4.937 1.755 10.003 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.158 4.469 11.123 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.741 3.739 11.303 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.200 3.849 8.964 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.509 4.044 8.545 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.484 5.694 7.563 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.287 7.328 8.206 1.00 0.00 H new ATOM 330 N LYS A 22 3.064 2.377 12.649 1.00 0.00 N ATOM 331 CA LYS A 22 2.734 1.905 13.983 1.00 0.00 C ATOM 332 C LYS A 22 2.101 0.516 13.886 1.00 0.00 C ATOM 333 O LYS A 22 2.151 -0.261 14.838 1.00 0.00 O ATOM 334 CB LYS A 22 1.863 2.929 14.714 1.00 0.00 C ATOM 335 CG LYS A 22 2.684 4.152 15.127 1.00 0.00 C ATOM 336 CD LYS A 22 3.098 4.064 16.597 1.00 0.00 C ATOM 337 CE LYS A 22 2.717 5.340 17.351 1.00 0.00 C ATOM 338 NZ LYS A 22 1.632 5.065 18.319 1.00 0.00 N ATOM 0 H LYS A 22 2.521 3.182 12.335 1.00 0.00 H new ATOM 0 HA LYS A 22 3.637 1.802 14.585 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.041 3.239 14.069 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.419 2.470 15.597 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.572 4.227 14.499 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.101 5.058 14.963 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.617 3.204 17.063 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.174 3.904 16.667 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.588 5.734 17.874 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.397 6.105 16.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.385 5.941 18.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.796 4.710 17.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.951 4.350 19.004 1.00 0.00 H new ATOM 351 N ALA A 23 1.519 0.246 12.727 1.00 0.00 N ATOM 352 CA ALA A 23 0.876 -1.036 12.493 1.00 0.00 C ATOM 353 C ALA A 23 1.927 -2.055 12.047 1.00 0.00 C ATOM 354 O ALA A 23 1.778 -3.252 12.287 1.00 0.00 O ATOM 355 CB ALA A 23 -0.244 -0.866 11.465 1.00 0.00 C ATOM 0 H ALA A 23 1.479 0.893 11.940 1.00 0.00 H new ATOM 0 HA ALA A 23 0.422 -1.410 13.410 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.726 -1.828 11.290 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.979 -0.155 11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.174 -0.494 10.530 1.00 0.00 H new ATOM 361 N VAL A 24 2.966 -1.542 11.404 1.00 0.00 N ATOM 362 CA VAL A 24 4.042 -2.392 10.922 1.00 0.00 C ATOM 363 C VAL A 24 5.384 -1.702 11.174 1.00 0.00 C ATOM 364 O VAL A 24 6.134 -1.380 10.255 1.00 0.00 O ATOM 365 CB VAL A 24 3.815 -2.739 9.449 1.00 0.00 C ATOM 366 CG1 VAL A 24 4.930 -3.643 8.920 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.442 -3.384 9.243 1.00 0.00 C ATOM 0 H VAL A 24 3.086 -0.549 11.206 1.00 0.00 H new ATOM 0 HA VAL A 24 4.055 -3.336 11.466 1.00 0.00 H new ATOM 0 HB VAL A 24 3.838 -1.810 8.879 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.744 -3.874 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.888 -3.132 9.015 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.953 -4.568 9.497 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.306 -3.621 8.188 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.378 -4.299 9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.663 -2.692 9.563 1.00 0.00 H new ATOM 377 N PRO A 25 5.672 -1.480 12.458 1.00 0.00 N ATOM 378 CA PRO A 25 6.885 -0.844 12.924 1.00 0.00 C ATOM 379 C PRO A 25 8.068 -1.336 12.102 1.00 0.00 C ATOM 380 O PRO A 25 9.045 -0.601 11.969 1.00 0.00 O ATOM 381 CB PRO A 25 7.017 -1.273 14.384 1.00 0.00 C ATOM 382 CG PRO A 25 5.562 -1.392 14.813 1.00 0.00 C ATOM 383 CD PRO A 25 4.812 -1.846 13.563 1.00 0.00 C ATOM 0 HA PRO A 25 6.859 0.241 12.827 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.550 -2.218 14.485 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.558 -0.537 14.978 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.448 -2.112 15.624 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.180 -0.438 15.177 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.628 -2.920 13.581 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.841 -1.358 13.486 1.00 0.00 H new ATOM 391 N ASP A 26 7.962 -2.547 11.575 1.00 0.00 N ATOM 392 CA ASP A 26 9.035 -3.111 10.774 1.00 0.00 C ATOM 393 C ASP A 26 8.967 -2.534 9.358 1.00 0.00 C ATOM 394 O ASP A 26 8.039 -2.832 8.607 1.00 0.00 O ATOM 395 CB ASP A 26 8.905 -4.632 10.672 1.00 0.00 C ATOM 396 CG ASP A 26 10.015 -5.324 9.878 1.00 0.00 C ATOM 397 OD1 ASP A 26 9.870 -5.588 8.675 1.00 0.00 O ATOM 398 OD2 ASP A 26 11.079 -5.597 10.553 1.00 0.00 O ATOM 0 H ASP A 26 7.149 -3.153 11.687 1.00 0.00 H new ATOM 0 HA ASP A 26 9.981 -2.861 11.254 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.886 -5.048 11.679 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.947 -4.870 10.210 1.00 0.00 H new ATOM 404 N CYS A 27 9.961 -1.720 9.037 1.00 0.00 N ATOM 405 CA CYS A 27 10.025 -1.099 7.725 1.00 0.00 C ATOM 406 C CYS A 27 10.622 -2.110 6.744 1.00 0.00 C ATOM 407 O CYS A 27 10.556 -1.917 5.531 1.00 0.00 O ATOM 408 CB CYS A 27 10.823 0.206 7.755 1.00 0.00 C ATOM 409 SG CYS A 27 10.639 1.183 9.291 1.00 0.00 S ATOM 0 H CYS A 27 10.729 -1.476 9.663 1.00 0.00 H new ATOM 0 HA CYS A 27 9.021 -0.827 7.399 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.878 -0.027 7.613 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.516 0.822 6.910 1.00 0.00 H new ATOM 0 HG CYS A 27 9.978 0.490 10.170 1.00 0.00 H new ATOM 414 N LYS A 28 11.191 -3.167 7.305 1.00 0.00 N ATOM 415 CA LYS A 28 11.798 -4.209 6.495 1.00 0.00 C ATOM 416 C LYS A 28 10.701 -5.110 5.924 1.00 0.00 C ATOM 417 O LYS A 28 10.983 -6.018 5.143 1.00 0.00 O ATOM 418 CB LYS A 28 12.858 -4.964 7.300 1.00 0.00 C ATOM 419 CG LYS A 28 14.074 -4.077 7.574 1.00 0.00 C ATOM 420 CD LYS A 28 15.375 -4.817 7.258 1.00 0.00 C ATOM 421 CE LYS A 28 16.512 -3.832 6.977 1.00 0.00 C ATOM 422 NZ LYS A 28 17.314 -4.282 5.818 1.00 0.00 N ATOM 0 H LYS A 28 11.244 -3.324 8.311 1.00 0.00 H new ATOM 0 HA LYS A 28 12.326 -3.773 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.430 -5.302 8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.169 -5.854 6.754 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.011 -3.171 6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.073 -3.765 8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.645 -5.460 8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.228 -5.465 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.102 -2.841 6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.150 -3.744 7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.081 -3.602 5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.721 -5.218 6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.705 -4.343 4.977 1.00 0.00 H new ATOM 435 N LYS A 29 9.474 -4.828 6.336 1.00 0.00 N ATOM 436 CA LYS A 29 8.334 -5.602 5.876 1.00 0.00 C ATOM 437 C LYS A 29 8.109 -5.333 4.386 1.00 0.00 C ATOM 438 O LYS A 29 7.975 -6.267 3.597 1.00 0.00 O ATOM 439 CB LYS A 29 7.107 -5.317 6.744 1.00 0.00 C ATOM 440 CG LYS A 29 6.960 -6.367 7.847 1.00 0.00 C ATOM 441 CD LYS A 29 6.399 -7.676 7.287 1.00 0.00 C ATOM 442 CE LYS A 29 5.226 -8.175 8.132 1.00 0.00 C ATOM 443 NZ LYS A 29 5.390 -9.612 8.449 1.00 0.00 N ATOM 0 H LYS A 29 9.244 -4.074 6.983 1.00 0.00 H new ATOM 0 HA LYS A 29 8.530 -6.669 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.195 -4.326 7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.211 -5.309 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.929 -6.551 8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.300 -5.989 8.628 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.072 -7.525 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.184 -8.432 7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.163 -7.598 9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.291 -8.020 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.585 -9.935 9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.427 -10.160 7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.273 -9.752 8.981 1.00 0.00 H new ATOM 456 N CYS A 30 8.073 -4.052 4.047 1.00 0.00 N ATOM 457 CA CYS A 30 7.867 -3.649 2.667 1.00 0.00 C ATOM 458 C CYS A 30 9.230 -3.331 2.050 1.00 0.00 C ATOM 459 O CYS A 30 9.579 -3.865 0.998 1.00 0.00 O ATOM 460 CB CYS A 30 6.903 -2.466 2.561 1.00 0.00 C ATOM 461 SG CYS A 30 5.447 -2.747 3.635 1.00 0.00 S ATOM 0 H CYS A 30 8.183 -3.280 4.705 1.00 0.00 H new ATOM 0 HA CYS A 30 7.400 -4.464 2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.409 -1.546 2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.583 -2.338 1.527 1.00 0.00 H new ATOM 0 HG CYS A 30 4.636 -1.736 3.540 1.00 0.00 H new ATOM 466 N HIS A 31 9.964 -2.463 2.731 1.00 0.00 N ATOM 467 CA HIS A 31 11.281 -2.068 2.263 1.00 0.00 C ATOM 468 C HIS A 31 12.266 -3.221 2.465 1.00 0.00 C ATOM 469 O HIS A 31 12.760 -3.434 3.572 1.00 0.00 O ATOM 470 CB HIS A 31 11.735 -0.775 2.944 1.00 0.00 C ATOM 471 CG HIS A 31 10.823 0.403 2.695 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.603 0.927 1.433 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.078 1.151 3.558 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.763 1.945 1.544 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.439 2.082 2.862 1.00 0.00 N ATOM 0 H HIS A 31 9.671 -2.022 3.603 1.00 0.00 H new ATOM 0 HA HIS A 31 11.241 -1.853 1.195 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.804 -0.947 4.018 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.737 -0.526 2.596 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.018 1.009 4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.399 2.559 0.733 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.809 2.785 3.249 1.00 0.00 H new ATOM 483 N GLU A 32 12.521 -3.937 1.380 1.00 0.00 N ATOM 484 CA GLU A 32 13.438 -5.063 1.424 1.00 0.00 C ATOM 485 C GLU A 32 14.884 -4.575 1.323 1.00 0.00 C ATOM 486 O GLU A 32 15.731 -4.961 2.128 1.00 0.00 O ATOM 487 CB GLU A 32 13.121 -6.072 0.319 1.00 0.00 C ATOM 488 CG GLU A 32 12.698 -7.419 0.909 1.00 0.00 C ATOM 489 CD GLU A 32 13.896 -8.364 1.031 1.00 0.00 C ATOM 490 OE1 GLU A 32 14.232 -9.065 0.065 1.00 0.00 O ATOM 491 OE2 GLU A 32 14.485 -8.353 2.178 1.00 0.00 O ATOM 0 H GLU A 32 12.108 -3.759 0.464 1.00 0.00 H new ATOM 0 HA GLU A 32 13.313 -5.571 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.325 -5.683 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.997 -6.208 -0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.250 -7.266 1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.935 -7.873 0.277 1.00 0.00 H new ATOM 499 N LYS A 33 15.123 -3.735 0.327 1.00 0.00 N ATOM 500 CA LYS A 33 16.453 -3.190 0.110 1.00 0.00 C ATOM 501 C LYS A 33 16.588 -1.870 0.871 1.00 0.00 C ATOM 502 O LYS A 33 17.309 -0.971 0.438 1.00 0.00 O ATOM 503 CB LYS A 33 16.745 -3.071 -1.387 1.00 0.00 C ATOM 504 CG LYS A 33 16.782 -4.449 -2.050 1.00 0.00 C ATOM 505 CD LYS A 33 17.894 -4.524 -3.098 1.00 0.00 C ATOM 506 CE LYS A 33 17.312 -4.682 -4.504 1.00 0.00 C ATOM 507 NZ LYS A 33 17.434 -6.084 -4.961 1.00 0.00 N ATOM 0 H LYS A 33 14.418 -3.418 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 33 17.212 -3.865 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.981 -2.455 -1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.700 -2.566 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.939 -5.217 -1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.820 -4.656 -2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.503 -3.621 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.552 -5.364 -2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.264 -4.383 -4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.834 -4.021 -5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.034 -6.174 -5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.437 -6.357 -4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.916 -6.708 -4.309 1.00 0.00 H new ATOM 520 N GLY A 34 15.884 -1.793 1.990 1.00 0.00 N ATOM 521 CA GLY A 34 15.917 -0.597 2.815 1.00 0.00 C ATOM 522 C GLY A 34 14.904 0.437 2.321 1.00 0.00 C ATOM 523 O GLY A 34 14.320 0.317 1.247 1.00 0.00 O ATOM 0 H GLY A 34 15.287 -2.540 2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.699 -0.859 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.918 -0.167 2.799 1.00 0.00 H new ATOM 527 N PRO A 35 14.706 1.470 3.144 1.00 0.00 N ATOM 528 CA PRO A 35 13.795 2.563 2.876 1.00 0.00 C ATOM 529 C PRO A 35 14.070 3.129 1.490 1.00 0.00 C ATOM 530 O PRO A 35 15.233 3.193 1.095 1.00 0.00 O ATOM 531 CB PRO A 35 14.096 3.597 3.959 1.00 0.00 C ATOM 532 CG PRO A 35 15.486 3.154 4.600 1.00 0.00 C ATOM 533 CD PRO A 35 15.375 1.643 4.415 1.00 0.00 C ATOM 0 HA PRO A 35 12.749 2.258 2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.161 4.600 3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.307 3.618 4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.343 3.579 4.077 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.576 3.443 5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.358 1.173 4.411 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.807 1.187 5.226 1.00 0.00 H new ATOM 541 N GLY A 36 13.016 3.521 0.789 1.00 0.00 N ATOM 542 CA GLY A 36 13.169 4.074 -0.545 1.00 0.00 C ATOM 543 C GLY A 36 12.089 3.539 -1.487 1.00 0.00 C ATOM 544 O GLY A 36 11.093 2.974 -1.039 1.00 0.00 O ATOM 0 H GLY A 36 12.053 3.466 1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.112 5.162 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.155 3.822 -0.936 1.00 0.00 H new ATOM 548 N LYS A 37 12.323 3.735 -2.777 1.00 0.00 N ATOM 549 CA LYS A 37 11.382 3.279 -3.786 1.00 0.00 C ATOM 550 C LYS A 37 11.458 1.755 -3.896 1.00 0.00 C ATOM 551 O LYS A 37 12.498 1.160 -3.618 1.00 0.00 O ATOM 552 CB LYS A 37 11.625 4.004 -5.111 1.00 0.00 C ATOM 553 CG LYS A 37 10.884 5.342 -5.148 1.00 0.00 C ATOM 554 CD LYS A 37 11.855 6.512 -4.974 1.00 0.00 C ATOM 555 CE LYS A 37 11.911 7.371 -6.239 1.00 0.00 C ATOM 556 NZ LYS A 37 12.907 6.829 -7.190 1.00 0.00 N ATOM 0 H LYS A 37 13.151 4.203 -3.146 1.00 0.00 H new ATOM 0 HA LYS A 37 10.361 3.528 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.693 4.172 -5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.293 3.377 -5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.354 5.442 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.133 5.368 -4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.544 7.125 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.850 6.132 -4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.928 7.400 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.170 8.397 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.932 7.424 -8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.846 6.824 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.643 5.858 -7.453 1.00 0.00 H new ATOM 569 N ILE A 38 10.342 1.167 -4.302 1.00 0.00 N ATOM 570 CA ILE A 38 10.269 -0.277 -4.452 1.00 0.00 C ATOM 571 C ILE A 38 10.249 -0.630 -5.940 1.00 0.00 C ATOM 572 O ILE A 38 9.342 -0.225 -6.666 1.00 0.00 O ATOM 573 CB ILE A 38 9.080 -0.837 -3.670 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.138 -0.411 -2.202 1.00 0.00 C ATOM 575 CG2 ILE A 38 8.990 -2.357 -3.823 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.827 -0.737 -1.484 1.00 0.00 C ATOM 0 H ILE A 38 9.481 1.664 -4.532 1.00 0.00 H new ATOM 0 HA ILE A 38 11.153 -0.750 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 38 8.167 -0.416 -4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.965 -0.918 -1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.336 0.659 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.136 -2.730 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.866 -2.610 -4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.904 -2.815 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.895 -0.424 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.006 -0.209 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.645 -1.811 -1.529 1.00 0.00 H new ATOM 588 N GLU A 39 11.259 -1.382 -6.352 1.00 0.00 N ATOM 589 CA GLU A 39 11.369 -1.794 -7.741 1.00 0.00 C ATOM 590 C GLU A 39 10.521 -3.043 -7.992 1.00 0.00 C ATOM 591 O GLU A 39 10.536 -3.979 -7.194 1.00 0.00 O ATOM 592 CB GLU A 39 12.829 -2.036 -8.127 1.00 0.00 C ATOM 593 CG GLU A 39 13.607 -0.720 -8.182 1.00 0.00 C ATOM 594 CD GLU A 39 15.098 -0.973 -8.415 1.00 0.00 C ATOM 595 OE1 GLU A 39 15.473 -1.580 -9.429 1.00 0.00 O ATOM 596 OE2 GLU A 39 15.878 -0.514 -7.496 1.00 0.00 O ATOM 0 H GLU A 39 12.009 -1.717 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 39 10.990 -0.988 -8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.293 -2.707 -7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.875 -2.531 -9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.212 -0.093 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.469 -0.173 -7.250 1.00 0.00 H new ATOM 604 N GLY A 40 9.801 -3.016 -9.104 1.00 0.00 N ATOM 605 CA GLY A 40 8.948 -4.135 -9.470 1.00 0.00 C ATOM 606 C GLY A 40 7.485 -3.843 -9.130 1.00 0.00 C ATOM 607 O GLY A 40 6.582 -4.244 -9.863 1.00 0.00 O ATOM 0 H GLY A 40 9.790 -2.238 -9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.044 -4.336 -10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.275 -5.033 -8.946 1.00 0.00 H new ATOM 611 N PHE A 41 7.297 -3.149 -8.017 1.00 0.00 N ATOM 612 CA PHE A 41 5.959 -2.799 -7.571 1.00 0.00 C ATOM 613 C PHE A 41 5.064 -2.432 -8.756 1.00 0.00 C ATOM 614 O PHE A 41 5.558 -2.107 -9.835 1.00 0.00 O ATOM 615 CB PHE A 41 6.097 -1.581 -6.655 1.00 0.00 C ATOM 616 CG PHE A 41 4.780 -1.125 -6.024 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.357 -1.681 -4.858 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.034 -0.163 -6.630 1.00 0.00 C ATOM 619 CE1 PHE A 41 3.134 -1.257 -4.272 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.811 0.261 -6.044 1.00 0.00 C ATOM 621 CZ PHE A 41 2.387 -0.296 -4.878 1.00 0.00 C ATOM 0 H PHE A 41 8.049 -2.820 -7.411 1.00 0.00 H new ATOM 0 HA PHE A 41 5.505 -3.646 -7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.807 -1.815 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.519 -0.755 -7.227 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.950 -2.445 -4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.371 0.279 -7.556 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.798 -1.698 -3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.218 1.025 -6.524 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.457 0.025 -4.433 1.00 0.00 H new ATOM 631 N GLY A 42 3.763 -2.497 -8.516 1.00 0.00 N ATOM 632 CA GLY A 42 2.794 -2.176 -9.550 1.00 0.00 C ATOM 633 C GLY A 42 1.404 -2.696 -9.180 1.00 0.00 C ATOM 634 O GLY A 42 1.103 -2.893 -8.004 1.00 0.00 O ATOM 0 H GLY A 42 3.357 -2.767 -7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.756 -1.096 -9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.109 -2.613 -10.497 1.00 0.00 H new ATOM 638 N LYS A 43 0.592 -2.905 -10.207 1.00 0.00 N ATOM 639 CA LYS A 43 -0.759 -3.398 -10.004 1.00 0.00 C ATOM 640 C LYS A 43 -0.701 -4.764 -9.316 1.00 0.00 C ATOM 641 O LYS A 43 -0.918 -4.864 -8.109 1.00 0.00 O ATOM 642 CB LYS A 43 -1.530 -3.408 -11.326 1.00 0.00 C ATOM 643 CG LYS A 43 -3.037 -3.505 -11.081 1.00 0.00 C ATOM 644 CD LYS A 43 -3.694 -4.461 -12.078 1.00 0.00 C ATOM 645 CE LYS A 43 -4.891 -3.800 -12.764 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.387 -4.647 -13.872 1.00 0.00 N ATOM 0 H LYS A 43 0.845 -2.742 -11.182 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.313 -2.731 -9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.307 -2.501 -11.888 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.202 -4.250 -11.936 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.222 -3.851 -10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.488 -2.516 -11.169 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.965 -4.768 -12.828 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.019 -5.364 -11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.688 -3.636 -12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.603 -2.821 -13.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.199 -4.183 -14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.629 -4.782 -14.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.681 -5.572 -13.497 1.00 0.00 H new ATOM 659 N GLU A 44 -0.407 -5.780 -10.113 1.00 0.00 N ATOM 660 CA GLU A 44 -0.317 -7.135 -9.596 1.00 0.00 C ATOM 661 C GLU A 44 0.249 -7.124 -8.174 1.00 0.00 C ATOM 662 O GLU A 44 -0.168 -7.916 -7.330 1.00 0.00 O ATOM 663 CB GLU A 44 0.528 -8.018 -10.516 1.00 0.00 C ATOM 664 CG GLU A 44 -0.275 -8.461 -11.740 1.00 0.00 C ATOM 665 CD GLU A 44 -1.413 -7.481 -12.034 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.507 -7.613 -11.467 1.00 0.00 O ATOM 667 OE2 GLU A 44 -1.127 -6.554 -12.885 1.00 0.00 O ATOM 0 H GLU A 44 -0.228 -5.692 -11.113 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.321 -7.558 -9.563 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.415 -7.471 -10.837 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.875 -8.894 -9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.383 -8.529 -12.606 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.683 -9.457 -11.570 1.00 0.00 H new ATOM 675 N MET A 45 1.190 -6.218 -7.953 1.00 0.00 N ATOM 676 CA MET A 45 1.817 -6.093 -6.648 1.00 0.00 C ATOM 677 C MET A 45 0.836 -5.527 -5.620 1.00 0.00 C ATOM 678 O MET A 45 0.580 -6.152 -4.591 1.00 0.00 O ATOM 679 CB MET A 45 3.035 -5.173 -6.753 1.00 0.00 C ATOM 680 CG MET A 45 4.147 -5.626 -5.805 1.00 0.00 C ATOM 681 SD MET A 45 5.147 -6.878 -6.591 1.00 0.00 S ATOM 682 CE MET A 45 6.480 -6.997 -5.410 1.00 0.00 C ATOM 0 H MET A 45 1.534 -5.563 -8.656 1.00 0.00 H new ATOM 0 HA MET A 45 2.127 -7.085 -6.318 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.405 -5.169 -7.778 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.744 -4.150 -6.515 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.768 -4.775 -5.527 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.714 -6.019 -4.885 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.201 -7.741 -5.749 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.973 -6.029 -5.319 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.081 -7.294 -4.440 1.00 0.00 H new ATOM 692 N ALA A 46 0.312 -4.351 -5.933 1.00 0.00 N ATOM 693 CA ALA A 46 -0.635 -3.694 -5.049 1.00 0.00 C ATOM 694 C ALA A 46 -1.763 -4.668 -4.703 1.00 0.00 C ATOM 695 O ALA A 46 -2.064 -4.883 -3.530 1.00 0.00 O ATOM 696 CB ALA A 46 -1.152 -2.416 -5.714 1.00 0.00 C ATOM 0 H ALA A 46 0.526 -3.836 -6.787 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.152 -3.404 -4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.863 -1.923 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.316 -1.746 -5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.646 -2.668 -6.652 1.00 0.00 H new ATOM 702 N HIS A 47 -2.356 -5.232 -5.745 1.00 0.00 N ATOM 703 CA HIS A 47 -3.444 -6.178 -5.565 1.00 0.00 C ATOM 704 C HIS A 47 -2.899 -7.480 -4.973 1.00 0.00 C ATOM 705 O HIS A 47 -3.579 -8.142 -4.191 1.00 0.00 O ATOM 706 CB HIS A 47 -4.198 -6.394 -6.879 1.00 0.00 C ATOM 707 CG HIS A 47 -4.726 -5.123 -7.500 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.870 -4.960 -8.867 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.144 -3.958 -6.927 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.352 -3.747 -9.095 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.521 -3.128 -7.892 1.00 0.00 N ATOM 0 H HIS A 47 -2.104 -5.052 -6.717 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.170 -5.774 -4.859 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.534 -6.885 -7.590 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.032 -7.073 -6.700 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.165 -3.747 -5.868 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.572 -3.323 -10.064 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.878 -2.182 -7.756 1.00 0.00 H new ATOM 719 N GLY A 48 -1.679 -7.807 -5.370 1.00 0.00 N ATOM 720 CA GLY A 48 -1.035 -9.018 -4.888 1.00 0.00 C ATOM 721 C GLY A 48 -0.558 -8.848 -3.444 1.00 0.00 C ATOM 722 O GLY A 48 -1.294 -8.342 -2.599 1.00 0.00 O ATOM 0 H GLY A 48 -1.119 -7.255 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.732 -9.854 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.188 -9.263 -5.528 1.00 0.00 H new ATOM 726 N LYS A 49 0.672 -9.280 -3.206 1.00 0.00 N ATOM 727 CA LYS A 49 1.256 -9.182 -1.880 1.00 0.00 C ATOM 728 C LYS A 49 1.917 -7.811 -1.718 1.00 0.00 C ATOM 729 O LYS A 49 2.987 -7.701 -1.123 1.00 0.00 O ATOM 730 CB LYS A 49 2.204 -10.355 -1.623 1.00 0.00 C ATOM 731 CG LYS A 49 1.439 -11.574 -1.102 1.00 0.00 C ATOM 732 CD LYS A 49 2.359 -12.792 -0.992 1.00 0.00 C ATOM 733 CE LYS A 49 2.898 -12.944 0.432 1.00 0.00 C ATOM 734 NZ LYS A 49 2.804 -14.354 0.873 1.00 0.00 N ATOM 0 H LYS A 49 1.280 -9.699 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 49 0.481 -9.255 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.725 -10.615 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.964 -10.061 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.010 -11.349 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.609 -11.800 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.813 -13.692 -1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.190 -12.689 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.936 -12.612 0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.333 -12.306 1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.174 -14.440 1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.810 -14.658 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.362 -14.955 0.234 1.00 0.00 H new ATOM 747 N GLY A 50 1.251 -6.801 -2.259 1.00 0.00 N ATOM 748 CA GLY A 50 1.760 -5.443 -2.182 1.00 0.00 C ATOM 749 C GLY A 50 0.899 -4.586 -1.252 1.00 0.00 C ATOM 750 O GLY A 50 1.413 -3.953 -0.332 1.00 0.00 O ATOM 0 H GLY A 50 0.363 -6.897 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.789 -5.456 -1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.777 -5.000 -3.178 1.00 0.00 H new ATOM 754 N CYS A 51 -0.398 -4.595 -1.524 1.00 0.00 N ATOM 755 CA CYS A 51 -1.336 -3.827 -0.723 1.00 0.00 C ATOM 756 C CYS A 51 -2.417 -4.778 -0.204 1.00 0.00 C ATOM 757 O CYS A 51 -2.304 -5.309 0.900 1.00 0.00 O ATOM 758 CB CYS A 51 -1.933 -2.661 -1.513 1.00 0.00 C ATOM 759 SG CYS A 51 -0.714 -1.433 -2.108 1.00 0.00 S ATOM 0 H CYS A 51 -0.821 -5.122 -2.288 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.813 -3.378 0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.473 -3.061 -2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.664 -2.152 -0.885 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.329 -0.494 -2.764 1.00 0.00 H new ATOM 764 N LYS A 52 -3.440 -4.963 -1.026 1.00 0.00 N ATOM 765 CA LYS A 52 -4.540 -5.841 -0.664 1.00 0.00 C ATOM 766 C LYS A 52 -3.983 -7.100 0.004 1.00 0.00 C ATOM 767 O LYS A 52 -4.451 -7.500 1.069 1.00 0.00 O ATOM 768 CB LYS A 52 -5.419 -6.128 -1.883 1.00 0.00 C ATOM 769 CG LYS A 52 -6.359 -4.956 -2.169 1.00 0.00 C ATOM 770 CD LYS A 52 -7.739 -5.454 -2.605 1.00 0.00 C ATOM 771 CE LYS A 52 -7.828 -5.557 -4.129 1.00 0.00 C ATOM 772 NZ LYS A 52 -7.223 -6.823 -4.599 1.00 0.00 N ATOM 0 H LYS A 52 -3.530 -4.520 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.192 -5.356 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.790 -6.315 -2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.002 -7.033 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.457 -4.337 -1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.933 -4.325 -2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.935 -6.429 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.508 -4.774 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.871 -5.507 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.316 -4.711 -4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.322 -6.893 -5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.214 -6.841 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.707 -7.627 -4.150 1.00 0.00 H new ATOM 785 N GLY A 53 -2.993 -7.690 -0.650 1.00 0.00 N ATOM 786 CA GLY A 53 -2.369 -8.896 -0.133 1.00 0.00 C ATOM 787 C GLY A 53 -2.353 -8.892 1.397 1.00 0.00 C ATOM 788 O GLY A 53 -3.059 -9.675 2.030 1.00 0.00 O ATOM 0 H GLY A 53 -2.608 -7.355 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.909 -9.772 -0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.349 -8.973 -0.511 1.00 0.00 H new ATOM 792 N CYS A 54 -1.540 -8.002 1.946 1.00 0.00 N ATOM 793 CA CYS A 54 -1.423 -7.886 3.390 1.00 0.00 C ATOM 794 C CYS A 54 -2.824 -7.684 3.971 1.00 0.00 C ATOM 795 O CYS A 54 -3.176 -8.295 4.979 1.00 0.00 O ATOM 796 CB CYS A 54 -0.470 -6.758 3.792 1.00 0.00 C ATOM 797 SG CYS A 54 -0.113 -6.849 5.584 1.00 0.00 S ATOM 0 H CYS A 54 -0.956 -7.354 1.417 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.990 -8.800 3.797 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.457 -6.834 3.224 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.914 -5.792 3.550 1.00 0.00 H new ATOM 0 HG CYS A 54 0.698 -5.888 5.914 1.00 0.00 H new ATOM 802 N HIS A 55 -3.585 -6.824 3.310 1.00 0.00 N ATOM 803 CA HIS A 55 -4.939 -6.533 3.749 1.00 0.00 C ATOM 804 C HIS A 55 -5.728 -7.838 3.878 1.00 0.00 C ATOM 805 O HIS A 55 -6.045 -8.269 4.985 1.00 0.00 O ATOM 806 CB HIS A 55 -5.609 -5.526 2.812 1.00 0.00 C ATOM 807 CG HIS A 55 -5.051 -4.126 2.915 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.547 -3.065 2.178 1.00 0.00 N ATOM 809 CD2 HIS A 55 -4.036 -3.625 3.676 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.854 -1.980 2.489 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.918 -2.329 3.417 1.00 0.00 N ATOM 0 H HIS A 55 -3.290 -6.320 2.474 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.914 -6.065 4.733 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.502 -5.874 1.785 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.677 -5.498 3.029 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.316 -3.111 1.509 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.431 -4.188 4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.004 -0.992 2.079 1.00 0.00 H new ATOM 819 N GLU A 56 -6.022 -8.430 2.730 1.00 0.00 N ATOM 820 CA GLU A 56 -6.768 -9.677 2.700 1.00 0.00 C ATOM 821 C GLU A 56 -6.030 -10.755 3.496 1.00 0.00 C ATOM 822 O GLU A 56 -6.636 -11.733 3.932 1.00 0.00 O ATOM 823 CB GLU A 56 -7.019 -10.132 1.261 1.00 0.00 C ATOM 824 CG GLU A 56 -5.834 -9.778 0.360 1.00 0.00 C ATOM 825 CD GLU A 56 -5.575 -10.884 -0.665 1.00 0.00 C ATOM 826 OE1 GLU A 56 -4.569 -11.601 -0.563 1.00 0.00 O ATOM 827 OE2 GLU A 56 -6.465 -10.986 -1.593 1.00 0.00 O ATOM 0 H GLU A 56 -5.757 -8.069 1.813 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.739 -9.509 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.187 -11.209 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.924 -9.660 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.033 -8.839 -0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.943 -9.625 0.969 1.00 0.00 H new ATOM 835 N GLU A 57 -4.733 -10.541 3.660 1.00 0.00 N ATOM 836 CA GLU A 57 -3.906 -11.483 4.396 1.00 0.00 C ATOM 837 C GLU A 57 -4.309 -11.502 5.872 1.00 0.00 C ATOM 838 O GLU A 57 -4.577 -12.564 6.431 1.00 0.00 O ATOM 839 CB GLU A 57 -2.422 -11.149 4.236 1.00 0.00 C ATOM 840 CG GLU A 57 -1.555 -12.090 5.077 1.00 0.00 C ATOM 841 CD GLU A 57 -0.217 -11.436 5.427 1.00 0.00 C ATOM 842 OE1 GLU A 57 0.065 -11.196 6.610 1.00 0.00 O ATOM 843 OE2 GLU A 57 0.544 -11.178 4.418 1.00 0.00 O ATOM 0 H GLU A 57 -4.234 -9.729 3.296 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.067 -12.479 3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.139 -11.228 3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.243 -10.117 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.084 -12.357 5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.379 -13.016 4.529 1.00 0.00 H new ATOM 851 N MET A 58 -4.338 -10.315 6.460 1.00 0.00 N ATOM 852 CA MET A 58 -4.703 -10.183 7.860 1.00 0.00 C ATOM 853 C MET A 58 -6.207 -9.947 8.014 1.00 0.00 C ATOM 854 O MET A 58 -6.710 -9.832 9.131 1.00 0.00 O ATOM 855 CB MET A 58 -3.937 -9.012 8.479 1.00 0.00 C ATOM 856 CG MET A 58 -2.427 -9.244 8.403 1.00 0.00 C ATOM 857 SD MET A 58 -1.783 -9.614 10.026 1.00 0.00 S ATOM 858 CE MET A 58 -1.667 -7.964 10.697 1.00 0.00 C ATOM 0 H MET A 58 -4.115 -9.436 5.992 1.00 0.00 H new ATOM 0 HA MET A 58 -4.445 -11.110 8.373 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.193 -8.089 7.959 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.237 -8.885 9.519 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.211 -10.066 7.721 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.935 -8.359 8.001 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.279 -8.011 11.714 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.996 -7.367 10.080 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.656 -7.505 10.707 1.00 0.00 H new ATOM 868 N LYS A 59 -6.884 -9.884 6.877 1.00 0.00 N ATOM 869 CA LYS A 59 -8.320 -9.664 6.872 1.00 0.00 C ATOM 870 C LYS A 59 -8.617 -8.246 7.364 1.00 0.00 C ATOM 871 O LYS A 59 -9.763 -7.916 7.662 1.00 0.00 O ATOM 872 CB LYS A 59 -9.032 -10.755 7.674 1.00 0.00 C ATOM 873 CG LYS A 59 -9.381 -11.950 6.785 1.00 0.00 C ATOM 874 CD LYS A 59 -8.197 -12.912 6.668 1.00 0.00 C ATOM 875 CE LYS A 59 -8.581 -14.315 7.142 1.00 0.00 C ATOM 876 NZ LYS A 59 -7.553 -15.299 6.736 1.00 0.00 N ATOM 0 H LYS A 59 -6.464 -9.982 5.952 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.713 -9.738 5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.394 -11.082 8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.941 -10.350 8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.242 -12.476 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.668 -11.599 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.859 -12.954 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.362 -12.540 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.691 -14.321 8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.547 -14.595 6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.829 -16.246 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.468 -15.304 5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.638 -15.039 7.157 1.00 0.00 H new ATOM 889 N LYS A 60 -7.563 -7.445 7.433 1.00 0.00 N ATOM 890 CA LYS A 60 -7.696 -6.071 7.884 1.00 0.00 C ATOM 891 C LYS A 60 -7.324 -5.125 6.740 1.00 0.00 C ATOM 892 O LYS A 60 -6.457 -5.440 5.927 1.00 0.00 O ATOM 893 CB LYS A 60 -6.882 -5.844 9.159 1.00 0.00 C ATOM 894 CG LYS A 60 -7.247 -6.871 10.233 1.00 0.00 C ATOM 895 CD LYS A 60 -7.827 -6.186 11.472 1.00 0.00 C ATOM 896 CE LYS A 60 -7.988 -7.181 12.623 1.00 0.00 C ATOM 897 NZ LYS A 60 -9.056 -6.735 13.547 1.00 0.00 N ATOM 0 H LYS A 60 -6.613 -7.722 7.184 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.731 -5.857 8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.818 -5.912 8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.064 -4.838 9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.972 -7.580 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.361 -7.443 10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.173 -5.370 11.780 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.794 -5.745 11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.229 -8.168 12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.047 -7.276 13.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.153 -7.421 14.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.810 -5.803 13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.956 -6.667 13.030 1.00 0.00 H new ATOM 910 N GLY A 61 -7.998 -3.985 6.714 1.00 0.00 N ATOM 911 CA GLY A 61 -7.749 -2.991 5.684 1.00 0.00 C ATOM 912 C GLY A 61 -8.740 -3.140 4.528 1.00 0.00 C ATOM 913 O GLY A 61 -9.452 -4.134 4.402 1.00 0.00 O ATOM 0 H GLY A 61 -8.717 -3.727 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.830 -1.991 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.730 -3.096 5.311 1.00 0.00 H new ATOM 917 N PRO A 62 -8.770 -2.113 3.675 1.00 0.00 N ATOM 918 CA PRO A 62 -9.629 -2.043 2.512 1.00 0.00 C ATOM 919 C PRO A 62 -9.184 -3.076 1.486 1.00 0.00 C ATOM 920 O PRO A 62 -8.022 -3.050 1.084 1.00 0.00 O ATOM 921 CB PRO A 62 -9.448 -0.625 1.977 1.00 0.00 C ATOM 922 CG PRO A 62 -8.109 -0.203 2.459 1.00 0.00 C ATOM 923 CD PRO A 62 -7.947 -0.929 3.793 1.00 0.00 C ATOM 0 HA PRO A 62 -10.674 -2.253 2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.501 -0.604 0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.229 0.040 2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.325 -0.483 1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.053 0.878 2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.905 -1.189 3.977 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.271 -0.304 4.625 1.00 0.00 H new ATOM 931 N THR A 63 -10.097 -3.949 1.088 1.00 0.00 N ATOM 932 CA THR A 63 -9.775 -4.977 0.113 1.00 0.00 C ATOM 933 C THR A 63 -10.724 -4.893 -1.084 1.00 0.00 C ATOM 934 O THR A 63 -10.538 -5.592 -2.079 1.00 0.00 O ATOM 935 CB THR A 63 -9.810 -6.331 0.823 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.167 -6.470 1.239 1.00 0.00 O ATOM 937 CG2 THR A 63 -9.018 -6.327 2.132 1.00 0.00 C ATOM 0 H THR A 63 -11.060 -3.966 1.423 1.00 0.00 H new ATOM 0 HA THR A 63 -8.774 -4.835 -0.295 1.00 0.00 H new ATOM 0 HB THR A 63 -9.411 -7.099 0.160 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.280 -7.323 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.076 -7.312 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.976 -6.083 1.926 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.438 -5.583 2.809 1.00 0.00 H new ATOM 945 N LYS A 64 -11.722 -4.032 -0.948 1.00 0.00 N ATOM 946 CA LYS A 64 -12.701 -3.848 -2.005 1.00 0.00 C ATOM 947 C LYS A 64 -12.307 -2.638 -2.855 1.00 0.00 C ATOM 948 O LYS A 64 -11.592 -1.753 -2.387 1.00 0.00 O ATOM 949 CB LYS A 64 -14.111 -3.753 -1.419 1.00 0.00 C ATOM 950 CG LYS A 64 -14.394 -4.926 -0.477 1.00 0.00 C ATOM 951 CD LYS A 64 -15.537 -5.793 -1.008 1.00 0.00 C ATOM 952 CE LYS A 64 -15.112 -6.550 -2.268 1.00 0.00 C ATOM 953 NZ LYS A 64 -15.562 -7.958 -2.203 1.00 0.00 N ATOM 0 H LYS A 64 -11.873 -3.454 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.713 -4.714 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.221 -2.813 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.844 -3.745 -2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.495 -5.532 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.649 -4.548 0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.847 -6.502 -0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.401 -5.166 -1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.534 -6.067 -3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.028 -6.513 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.265 -8.457 -3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.139 -8.420 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.599 -7.988 -2.125 1.00 0.00 H new ATOM 966 N CYS A 65 -12.789 -2.640 -4.089 1.00 0.00 N ATOM 967 CA CYS A 65 -12.495 -1.554 -5.009 1.00 0.00 C ATOM 968 C CYS A 65 -13.235 -0.304 -4.528 1.00 0.00 C ATOM 969 O CYS A 65 -14.218 -0.403 -3.796 1.00 0.00 O ATOM 970 CB CYS A 65 -12.863 -1.916 -6.449 1.00 0.00 C ATOM 971 SG CYS A 65 -12.815 -3.707 -6.826 1.00 0.00 S ATOM 0 H CYS A 65 -13.381 -3.376 -4.473 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.422 -1.361 -5.016 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.865 -1.542 -6.658 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.182 -1.398 -7.124 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.145 -3.898 -8.069 1.00 0.00 H new ATOM 976 N GLY A 66 -12.734 0.844 -4.960 1.00 0.00 N ATOM 977 CA GLY A 66 -13.335 2.112 -4.582 1.00 0.00 C ATOM 978 C GLY A 66 -12.749 2.627 -3.266 1.00 0.00 C ATOM 979 O GLY A 66 -12.598 3.833 -3.080 1.00 0.00 O ATOM 0 H GLY A 66 -11.919 0.923 -5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.169 2.846 -5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.414 1.991 -4.481 1.00 0.00 H new ATOM 983 N GLU A 67 -12.435 1.687 -2.388 1.00 0.00 N ATOM 984 CA GLU A 67 -11.868 2.030 -1.094 1.00 0.00 C ATOM 985 C GLU A 67 -10.420 2.495 -1.256 1.00 0.00 C ATOM 986 O GLU A 67 -9.872 3.151 -0.371 1.00 0.00 O ATOM 987 CB GLU A 67 -11.961 0.851 -0.124 1.00 0.00 C ATOM 988 CG GLU A 67 -12.503 1.299 1.234 1.00 0.00 C ATOM 989 CD GLU A 67 -12.565 0.126 2.214 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.683 -1.033 1.788 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.485 0.451 3.460 1.00 0.00 O ATOM 0 H GLU A 67 -12.562 0.687 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.447 2.851 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.610 0.082 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.976 0.402 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.867 2.085 1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.498 1.726 1.109 1.00 0.00 H new ATOM 999 N CYS A 68 -9.840 2.136 -2.392 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.465 2.508 -2.680 1.00 0.00 C ATOM 1001 C CYS A 68 -8.471 3.502 -3.843 1.00 0.00 C ATOM 1002 O CYS A 68 -7.830 4.550 -3.772 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.599 1.283 -2.981 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.479 0.948 -1.573 1.00 0.00 S ATOM 0 H CYS A 68 -10.297 1.592 -3.124 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.021 2.978 -1.803 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.233 0.416 -3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.017 1.452 -3.887 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.750 -0.095 -1.837 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.201 3.139 -4.887 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.298 3.986 -6.064 1.00 0.00 C ATOM 1011 C HIS A 69 -10.444 4.984 -5.884 1.00 0.00 C ATOM 1012 O HIS A 69 -11.611 4.628 -6.033 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.441 3.141 -7.331 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.302 2.177 -7.559 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.038 2.589 -7.944 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.248 0.819 -7.450 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.267 1.517 -8.061 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.019 0.421 -7.754 1.00 0.00 N ATOM 0 H HIS A 69 -9.731 2.269 -4.943 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.378 4.559 -6.182 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.373 2.579 -7.277 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.519 3.806 -8.192 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.749 3.553 -8.109 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.067 0.176 -7.164 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.226 1.512 -8.349 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.069 6.215 -5.566 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.051 7.267 -5.364 1.00 0.00 C ATOM 1028 C LYS A 70 -10.966 8.266 -6.520 1.00 0.00 C ATOM 1029 O LYS A 70 -9.943 8.923 -6.704 1.00 0.00 O ATOM 1030 CB LYS A 70 -10.875 7.906 -3.985 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.373 6.972 -2.880 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.235 7.730 -1.869 1.00 0.00 C ATOM 1033 CE LYS A 70 -12.321 6.970 -0.544 1.00 0.00 C ATOM 1034 NZ LYS A 70 -11.455 7.604 0.475 1.00 0.00 N ATOM 0 H LYS A 70 -9.099 6.507 -5.443 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.060 6.854 -5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.823 8.141 -3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.422 8.848 -3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.951 6.159 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.522 6.519 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.814 8.721 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.236 7.875 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.353 6.954 -0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.019 5.933 -0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.525 7.075 1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.469 7.597 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.762 8.586 0.629 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.056 8.348 -7.270 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.118 9.255 -8.403 1.00 0.00 C ATOM 1049 C LYS A 71 -12.407 10.672 -7.902 1.00 0.00 C ATOM 1050 O LYS A 71 -12.339 10.935 -6.702 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.126 8.752 -9.438 1.00 0.00 C ATOM 1052 CG LYS A 71 -14.559 8.895 -8.922 1.00 0.00 C ATOM 1053 CD LYS A 71 -15.538 9.109 -10.078 1.00 0.00 C ATOM 1054 CE LYS A 71 -16.044 7.773 -10.624 1.00 0.00 C ATOM 1055 NZ LYS A 71 -17.260 7.343 -9.898 1.00 0.00 N ATOM 0 H LYS A 71 -12.903 7.801 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.157 9.288 -8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.012 9.314 -10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.922 7.707 -9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.839 8.002 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.618 9.735 -8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.382 9.710 -9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.048 9.669 -10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.263 7.868 -11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.267 7.015 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.590 6.434 -10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.040 7.233 -8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.005 8.059 -10.014 1.00 0.00 H new