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= -3.72! C(o=-3.2!,f=-2.7!) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.524 K(o=-3.2,f=-12!) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -0.419 K(o=0.34,f=-2.3!) USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.754 K(o=0.34,f=-4.1!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -1.24! C(o=-4.3!,f=-7.5!) USER MOD Set 3.2: A 21 GLN : amide:sc= -2.99! C(o=-4.3!,f=-6.2!) USER MOD Set 3.3: A 31 HIS : no HD1:sc= -0.109 X(o=-4.3,f=-4.3) 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= -0.0534 X(o=-0.053,f=-0.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 7:sc= 0.00708 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 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -163:sc=-0.00634 (180deg=-0.158) 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= -0.179 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 155:sc= -0.0101 (180deg=-0.822) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 4.020 11.262 4.706 1.00 0.00 N ATOM 12 CA ASP A 2 3.385 9.962 4.839 1.00 0.00 C ATOM 13 C ASP A 2 2.332 9.798 3.740 1.00 0.00 C ATOM 14 O ASP A 2 2.210 8.727 3.147 1.00 0.00 O ATOM 15 CB ASP A 2 2.682 9.828 6.191 1.00 0.00 C ATOM 16 CG ASP A 2 3.014 10.925 7.204 1.00 0.00 C ATOM 17 OD1 ASP A 2 3.796 10.713 8.142 1.00 0.00 O ATOM 18 OD2 ASP A 2 2.424 12.054 6.998 1.00 0.00 O ATOM 0 HA ASP A 2 4.159 9.199 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.605 9.822 6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.943 8.863 6.625 1.00 0.00 H new ATOM 24 N ASP A 3 1.599 10.875 3.503 1.00 0.00 N ATOM 25 CA ASP A 3 0.561 10.865 2.486 1.00 0.00 C ATOM 26 C ASP A 3 1.208 10.763 1.104 1.00 0.00 C ATOM 27 O ASP A 3 1.925 11.669 0.683 1.00 0.00 O ATOM 28 CB ASP A 3 -0.265 12.152 2.529 1.00 0.00 C ATOM 29 CG ASP A 3 -0.193 12.923 3.848 1.00 0.00 C ATOM 30 OD1 ASP A 3 -0.633 12.433 4.899 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.348 14.091 3.769 1.00 0.00 O ATOM 0 H ASP A 3 1.703 11.761 3.998 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.091 10.013 2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.069 12.807 1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.307 11.904 2.327 1.00 0.00 H new ATOM 37 N ILE A 4 0.930 9.653 0.436 1.00 0.00 N ATOM 38 CA ILE A 4 1.477 9.422 -0.891 1.00 0.00 C ATOM 39 C ILE A 4 0.343 9.042 -1.845 1.00 0.00 C ATOM 40 O ILE A 4 -0.445 8.144 -1.552 1.00 0.00 O ATOM 41 CB ILE A 4 2.604 8.389 -0.833 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.681 8.808 0.170 1.00 0.00 C ATOM 43 CG2 ILE A 4 3.187 8.135 -2.225 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.922 7.923 0.045 1.00 0.00 C ATOM 0 H ILE A 4 0.334 8.904 0.788 1.00 0.00 H new ATOM 0 HA ILE A 4 1.931 10.333 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 4 2.185 7.446 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.954 9.850 0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.284 8.743 1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.986 7.397 -2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.404 7.761 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.587 9.066 -2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.671 8.243 0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.650 6.885 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.331 8.009 -0.962 1.00 0.00 H new ATOM 56 N VAL A 5 0.297 9.744 -2.968 1.00 0.00 N ATOM 57 CA VAL A 5 -0.728 9.491 -3.967 1.00 0.00 C ATOM 58 C VAL A 5 -0.154 8.590 -5.062 1.00 0.00 C ATOM 59 O VAL A 5 0.830 8.943 -5.710 1.00 0.00 O ATOM 60 CB VAL A 5 -1.270 10.816 -4.507 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.278 10.578 -5.633 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.889 11.653 -3.385 1.00 0.00 C ATOM 0 H VAL A 5 0.953 10.488 -3.208 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.574 8.966 -3.523 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.432 11.377 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.648 11.536 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.793 10.041 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.113 9.987 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.267 12.589 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.710 11.100 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.132 11.867 -2.630 1.00 0.00 H new ATOM 72 N LEU A 6 -0.794 7.442 -5.234 1.00 0.00 N ATOM 73 CA LEU A 6 -0.360 6.487 -6.239 1.00 0.00 C ATOM 74 C LEU A 6 -1.218 6.649 -7.495 1.00 0.00 C ATOM 75 O LEU A 6 -2.309 6.087 -7.583 1.00 0.00 O ATOM 76 CB LEU A 6 -0.368 5.068 -5.668 1.00 0.00 C ATOM 77 CG LEU A 6 0.570 4.815 -4.486 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.219 3.505 -3.778 1.00 0.00 C ATOM 79 CD2 LEU A 6 2.034 4.853 -4.929 1.00 0.00 C ATOM 0 H LEU A 6 -1.609 7.152 -4.694 1.00 0.00 H new ATOM 0 HA LEU A 6 0.672 6.683 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.385 4.829 -5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.108 4.374 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 6 0.432 5.619 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.901 3.349 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.805 3.555 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.310 2.676 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.679 4.670 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.206 4.084 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.261 5.832 -5.351 1.00 0.00 H new ATOM 91 N LYS A 7 -0.694 7.421 -8.436 1.00 0.00 N ATOM 92 CA LYS A 7 -1.399 7.664 -9.683 1.00 0.00 C ATOM 93 C LYS A 7 -1.872 6.331 -10.265 1.00 0.00 C ATOM 94 O LYS A 7 -1.121 5.357 -10.288 1.00 0.00 O ATOM 95 CB LYS A 7 -0.527 8.478 -10.641 1.00 0.00 C ATOM 96 CG LYS A 7 0.728 7.698 -11.038 1.00 0.00 C ATOM 97 CD LYS A 7 1.926 8.116 -10.184 1.00 0.00 C ATOM 98 CE LYS A 7 2.267 7.039 -9.152 1.00 0.00 C ATOM 99 NZ LYS A 7 3.351 6.165 -9.655 1.00 0.00 N ATOM 0 H LYS A 7 0.210 7.886 -8.360 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.289 8.268 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.100 8.731 -11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.241 9.418 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.549 6.629 -10.921 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.950 7.870 -12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.789 8.296 -10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.705 9.055 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.574 7.507 -8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.381 6.442 -8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.571 5.439 -8.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.045 5.704 -10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.200 6.736 -9.840 1.00 0.00 H new ATOM 112 N ALA A 8 -3.117 6.329 -10.721 1.00 0.00 N ATOM 113 CA ALA A 8 -3.699 5.131 -11.301 1.00 0.00 C ATOM 114 C ALA A 8 -4.663 5.529 -12.421 1.00 0.00 C ATOM 115 O ALA A 8 -5.385 6.517 -12.301 1.00 0.00 O ATOM 116 CB ALA A 8 -4.385 4.314 -10.204 1.00 0.00 C ATOM 0 H ALA A 8 -3.738 7.138 -10.700 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.925 4.502 -11.740 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.822 3.415 -10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.652 4.032 -9.448 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.171 4.912 -9.742 1.00 0.00 H new ATOM 122 N LYS A 9 -4.643 4.738 -13.484 1.00 0.00 N ATOM 123 CA LYS A 9 -5.507 4.996 -14.624 1.00 0.00 C ATOM 124 C LYS A 9 -6.920 4.501 -14.310 1.00 0.00 C ATOM 125 O LYS A 9 -7.805 4.556 -15.162 1.00 0.00 O ATOM 126 CB LYS A 9 -4.911 4.388 -15.895 1.00 0.00 C ATOM 127 CG LYS A 9 -4.944 2.859 -15.840 1.00 0.00 C ATOM 128 CD LYS A 9 -5.000 2.261 -17.247 1.00 0.00 C ATOM 129 CE LYS A 9 -4.381 0.862 -17.273 1.00 0.00 C ATOM 130 NZ LYS A 9 -3.676 0.630 -18.553 1.00 0.00 N ATOM 0 H LYS A 9 -4.043 3.919 -13.580 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.579 6.067 -14.813 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.468 4.736 -16.765 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.883 4.729 -16.018 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.060 2.491 -15.320 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.811 2.531 -15.267 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.035 2.211 -17.584 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.469 2.910 -17.943 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.684 0.751 -16.442 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.160 0.111 -17.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.262 -0.324 -18.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.350 0.715 -19.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.920 1.335 -18.666 1.00 0.00 H new ATOM 143 N ASN A 10 -7.088 4.028 -13.084 1.00 0.00 N ATOM 144 CA ASN A 10 -8.379 3.524 -12.646 1.00 0.00 C ATOM 145 C ASN A 10 -8.721 4.126 -11.282 1.00 0.00 C ATOM 146 O ASN A 10 -9.414 3.501 -10.480 1.00 0.00 O ATOM 147 CB ASN A 10 -8.354 2.001 -12.498 1.00 0.00 C ATOM 148 CG ASN A 10 -9.659 1.380 -13.000 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.129 1.656 -14.091 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.217 0.528 -12.144 1.00 0.00 N ATOM 0 H ASN A 10 -6.351 3.983 -12.380 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.121 3.802 -13.395 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.513 1.591 -13.058 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.200 1.736 -11.452 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.091 0.061 -12.386 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.771 0.342 -11.246 1.00 0.00 H new ATOM 157 N GLY A 11 -8.220 5.332 -11.061 1.00 0.00 N ATOM 158 CA GLY A 11 -8.464 6.025 -9.807 1.00 0.00 C ATOM 159 C GLY A 11 -7.228 5.982 -8.907 1.00 0.00 C ATOM 160 O GLY A 11 -6.742 4.905 -8.564 1.00 0.00 O ATOM 0 H GLY A 11 -7.646 5.847 -11.729 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.737 7.061 -10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.309 5.567 -9.293 1.00 0.00 H new ATOM 164 N ASP A 12 -6.754 7.166 -8.549 1.00 0.00 N ATOM 165 CA ASP A 12 -5.584 7.277 -7.694 1.00 0.00 C ATOM 166 C ASP A 12 -5.854 6.558 -6.371 1.00 0.00 C ATOM 167 O ASP A 12 -7.007 6.385 -5.979 1.00 0.00 O ATOM 168 CB ASP A 12 -5.266 8.740 -7.382 1.00 0.00 C ATOM 169 CG ASP A 12 -6.274 9.440 -6.468 1.00 0.00 C ATOM 170 OD1 ASP A 12 -7.471 9.113 -6.468 1.00 0.00 O ATOM 171 OD2 ASP A 12 -5.781 10.370 -5.722 1.00 0.00 O ATOM 0 H ASP A 12 -7.159 8.057 -8.835 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.740 6.829 -8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.281 8.791 -6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.205 9.291 -8.320 1.00 0.00 H new ATOM 177 N VAL A 13 -4.771 6.160 -5.719 1.00 0.00 N ATOM 178 CA VAL A 13 -4.877 5.464 -4.448 1.00 0.00 C ATOM 179 C VAL A 13 -4.161 6.275 -3.366 1.00 0.00 C ATOM 180 O VAL A 13 -2.969 6.556 -3.484 1.00 0.00 O ATOM 181 CB VAL A 13 -4.336 4.040 -4.584 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.475 3.272 -3.268 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.028 3.297 -5.729 1.00 0.00 C ATOM 0 H VAL A 13 -3.816 6.306 -6.047 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.921 5.373 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.274 4.107 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.083 2.263 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.915 3.785 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.527 3.220 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.625 2.287 -5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.099 3.246 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.854 3.828 -6.665 1.00 0.00 H new ATOM 193 N LYS A 14 -4.918 6.628 -2.338 1.00 0.00 N ATOM 194 CA LYS A 14 -4.370 7.402 -1.236 1.00 0.00 C ATOM 195 C LYS A 14 -3.779 6.449 -0.194 1.00 0.00 C ATOM 196 O LYS A 14 -4.515 5.751 0.501 1.00 0.00 O ATOM 197 CB LYS A 14 -5.427 8.352 -0.671 1.00 0.00 C ATOM 198 CG LYS A 14 -4.782 9.436 0.195 1.00 0.00 C ATOM 199 CD LYS A 14 -4.154 8.832 1.452 1.00 0.00 C ATOM 200 CE LYS A 14 -4.401 9.723 2.671 1.00 0.00 C ATOM 201 NZ LYS A 14 -5.483 9.164 3.512 1.00 0.00 N ATOM 0 H LYS A 14 -5.906 6.393 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.557 8.039 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.979 8.815 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.148 7.789 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.019 9.960 -0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.532 10.175 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.571 7.841 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.082 8.704 1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.486 9.810 3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.668 10.728 2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.637 9.781 4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.359 9.104 2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.214 8.214 3.838 1.00 0.00 H new ATOM 214 N PHE A 15 -2.456 6.452 -0.119 1.00 0.00 N ATOM 215 CA PHE A 15 -1.759 5.597 0.826 1.00 0.00 C ATOM 216 C PHE A 15 -1.125 6.423 1.947 1.00 0.00 C ATOM 217 O PHE A 15 -0.322 7.325 1.720 1.00 0.00 O ATOM 218 CB PHE A 15 -0.653 4.880 0.049 1.00 0.00 C ATOM 219 CG PHE A 15 0.224 3.970 0.911 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.340 2.957 1.622 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.567 4.174 0.967 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.473 2.112 2.422 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.381 3.329 1.768 1.00 0.00 C ATOM 224 CZ PHE A 15 1.817 2.316 2.478 1.00 0.00 C ATOM 0 H PHE A 15 -1.849 7.033 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.459 4.895 1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.107 4.285 -0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.021 5.625 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.407 2.795 1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.015 4.978 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.025 1.307 2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.448 3.491 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.436 1.673 3.086 1.00 0.00 H new ATOM 234 N PRO A 16 -1.509 6.087 3.181 1.00 0.00 N ATOM 235 CA PRO A 16 -1.035 6.733 4.387 1.00 0.00 C ATOM 236 C PRO A 16 0.259 6.074 4.844 1.00 0.00 C ATOM 237 O PRO A 16 0.196 5.077 5.562 1.00 0.00 O ATOM 238 CB PRO A 16 -2.149 6.518 5.409 1.00 0.00 C ATOM 239 CG PRO A 16 -2.698 5.144 4.987 1.00 0.00 C ATOM 240 CD PRO A 16 -2.450 5.031 3.485 1.00 0.00 C ATOM 0 HA PRO A 16 -0.820 7.792 4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.771 6.511 6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.910 7.297 5.355 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.195 4.341 5.526 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.761 5.063 5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.044 4.054 3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.375 5.153 2.922 1.00 0.00 H new ATOM 248 N HIS A 17 1.387 6.630 4.428 1.00 0.00 N ATOM 249 CA HIS A 17 2.677 6.079 4.806 1.00 0.00 C ATOM 250 C HIS A 17 3.022 6.511 6.233 1.00 0.00 C ATOM 251 O HIS A 17 4.115 7.015 6.485 1.00 0.00 O ATOM 252 CB HIS A 17 3.753 6.469 3.792 1.00 0.00 C ATOM 253 CG HIS A 17 5.100 5.838 4.052 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.965 6.292 5.033 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.721 4.783 3.450 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.054 5.538 5.012 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.902 4.604 4.031 1.00 0.00 N ATOM 0 H HIS A 17 1.434 7.457 3.833 1.00 0.00 H new ATOM 0 HA HIS A 17 2.628 4.990 4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.417 6.186 2.794 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.865 7.553 3.795 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.793 7.074 5.665 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.320 4.193 2.639 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.912 5.645 5.659 1.00 0.00 H new ATOM 265 N LYS A 18 2.069 6.299 7.128 1.00 0.00 N ATOM 266 CA LYS A 18 2.258 6.661 8.523 1.00 0.00 C ATOM 267 C LYS A 18 1.646 5.578 9.414 1.00 0.00 C ATOM 268 O LYS A 18 2.365 4.858 10.105 1.00 0.00 O ATOM 269 CB LYS A 18 1.707 8.062 8.792 1.00 0.00 C ATOM 270 CG LYS A 18 1.315 8.224 10.262 1.00 0.00 C ATOM 271 CD LYS A 18 1.689 9.615 10.779 1.00 0.00 C ATOM 272 CE LYS A 18 1.076 9.871 12.158 1.00 0.00 C ATOM 273 NZ LYS A 18 1.370 11.249 12.608 1.00 0.00 N ATOM 0 H LYS A 18 1.163 5.881 6.915 1.00 0.00 H new ATOM 0 HA LYS A 18 3.320 6.710 8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.456 8.808 8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.839 8.243 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.243 8.066 10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.815 7.463 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.774 9.706 10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.343 10.373 10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.002 9.718 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.473 9.155 12.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.947 11.406 13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.400 11.383 12.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.970 11.928 11.930 1.00 0.00 H new ATOM 286 N ALA A 19 0.324 5.496 9.368 1.00 0.00 N ATOM 287 CA ALA A 19 -0.393 4.513 10.162 1.00 0.00 C ATOM 288 C ALA A 19 0.169 3.120 9.870 1.00 0.00 C ATOM 289 O ALA A 19 0.055 2.215 10.696 1.00 0.00 O ATOM 290 CB ALA A 19 -1.891 4.610 9.866 1.00 0.00 C ATOM 0 H ALA A 19 -0.269 6.094 8.793 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.258 4.708 11.226 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.428 3.872 10.462 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.248 5.609 10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.066 4.418 8.807 1.00 0.00 H new ATOM 296 N HIS A 20 0.765 2.991 8.694 1.00 0.00 N ATOM 297 CA HIS A 20 1.345 1.724 8.283 1.00 0.00 C ATOM 298 C HIS A 20 2.689 1.523 8.985 1.00 0.00 C ATOM 299 O HIS A 20 3.356 0.510 8.780 1.00 0.00 O ATOM 300 CB HIS A 20 1.454 1.645 6.759 1.00 0.00 C ATOM 301 CG HIS A 20 0.155 1.311 6.067 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.759 2.276 5.681 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.374 0.110 5.694 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.788 1.672 5.104 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.547 0.330 5.114 1.00 0.00 N ATOM 0 H HIS A 20 0.859 3.744 8.012 1.00 0.00 H new ATOM 0 HA HIS A 20 0.691 0.906 8.585 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.820 2.600 6.381 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.197 0.892 6.497 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.658 3.282 5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.084 -0.856 5.845 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.663 2.157 4.698 1.00 0.00 H new ATOM 313 N GLN A 21 3.048 2.505 9.800 1.00 0.00 N ATOM 314 CA GLN A 21 4.300 2.450 10.533 1.00 0.00 C ATOM 315 C GLN A 21 4.073 1.866 11.929 1.00 0.00 C ATOM 316 O GLN A 21 4.741 0.912 12.323 1.00 0.00 O ATOM 317 CB GLN A 21 4.949 3.833 10.616 1.00 0.00 C ATOM 318 CG GLN A 21 5.347 4.337 9.228 1.00 0.00 C ATOM 319 CD GLN A 21 5.516 5.857 9.224 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.044 6.563 10.100 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.216 6.321 8.191 1.00 0.00 N ATOM 0 H GLN A 21 2.492 3.344 9.968 1.00 0.00 H new ATOM 0 HA GLN A 21 4.985 1.796 9.994 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.256 4.537 11.077 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.830 3.787 11.256 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.279 3.863 8.919 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.587 4.050 8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.583 5.675 7.492 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.385 7.323 8.098 1.00 0.00 H new ATOM 330 N LYS A 22 3.126 2.463 12.638 1.00 0.00 N ATOM 331 CA LYS A 22 2.802 2.014 13.982 1.00 0.00 C ATOM 332 C LYS A 22 2.173 0.622 13.911 1.00 0.00 C ATOM 333 O LYS A 22 2.267 -0.155 14.861 1.00 0.00 O ATOM 334 CB LYS A 22 1.930 3.049 14.696 1.00 0.00 C ATOM 335 CG LYS A 22 2.747 4.283 15.082 1.00 0.00 C ATOM 336 CD LYS A 22 3.170 4.223 16.551 1.00 0.00 C ATOM 337 CE LYS A 22 2.867 5.543 17.263 1.00 0.00 C ATOM 338 NZ LYS A 22 1.949 5.319 18.402 1.00 0.00 N ATOM 0 H LYS A 22 2.573 3.254 12.307 1.00 0.00 H new ATOM 0 HA LYS A 22 3.706 1.925 14.584 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.105 3.343 14.048 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.491 2.605 15.590 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.631 4.351 14.448 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.158 5.183 14.906 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.647 3.408 17.051 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.236 4.006 16.618 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.794 5.992 17.619 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.420 6.247 16.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.754 6.225 18.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.058 4.911 18.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.389 4.664 19.079 1.00 0.00 H new ATOM 351 N ALA A 23 1.544 0.348 12.778 1.00 0.00 N ATOM 352 CA ALA A 23 0.899 -0.938 12.571 1.00 0.00 C ATOM 353 C ALA A 23 1.946 -1.964 12.132 1.00 0.00 C ATOM 354 O ALA A 23 1.796 -3.157 12.389 1.00 0.00 O ATOM 355 CB ALA A 23 -0.231 -0.784 11.551 1.00 0.00 C ATOM 0 H ALA A 23 1.467 0.995 11.993 1.00 0.00 H new ATOM 0 HA ALA A 23 0.454 -1.298 13.498 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.715 -1.748 11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.962 -0.067 11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.178 -0.427 10.606 1.00 0.00 H new ATOM 361 N VAL A 24 2.981 -1.461 11.476 1.00 0.00 N ATOM 362 CA VAL A 24 4.052 -2.319 10.998 1.00 0.00 C ATOM 363 C VAL A 24 5.397 -1.625 11.226 1.00 0.00 C ATOM 364 O VAL A 24 6.136 -1.314 10.296 1.00 0.00 O ATOM 365 CB VAL A 24 3.812 -2.690 9.533 1.00 0.00 C ATOM 366 CG1 VAL A 24 4.906 -3.628 9.019 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.426 -3.309 9.345 1.00 0.00 C ATOM 0 H VAL A 24 3.101 -0.470 11.264 1.00 0.00 H new ATOM 0 HA VAL A 24 4.070 -3.254 11.558 1.00 0.00 H new ATOM 0 HB VAL A 24 3.853 -1.774 8.944 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.712 -3.876 7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.875 -3.136 9.101 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.912 -4.541 9.614 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.281 -3.564 8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.345 -4.211 9.952 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.663 -2.594 9.654 1.00 0.00 H new ATOM 377 N PRO A 25 5.699 -1.386 12.505 1.00 0.00 N ATOM 378 CA PRO A 25 6.916 -0.743 12.949 1.00 0.00 C ATOM 379 C PRO A 25 8.091 -1.249 12.124 1.00 0.00 C ATOM 380 O PRO A 25 9.071 -0.521 11.977 1.00 0.00 O ATOM 381 CB PRO A 25 7.061 -1.148 14.414 1.00 0.00 C ATOM 382 CG PRO A 25 5.613 -1.265 14.859 1.00 0.00 C ATOM 383 CD PRO A 25 4.852 -1.739 13.624 1.00 0.00 C ATOM 0 HA PRO A 25 6.890 0.341 12.834 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.598 -2.090 14.525 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.605 -0.401 14.991 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.510 -1.973 15.681 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.231 -0.307 15.213 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.672 -2.813 13.659 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.878 -1.255 13.550 1.00 0.00 H new ATOM 391 N ASP A 26 7.977 -2.466 11.612 1.00 0.00 N ATOM 392 CA ASP A 26 9.042 -3.044 10.810 1.00 0.00 C ATOM 393 C ASP A 26 8.978 -2.469 9.394 1.00 0.00 C ATOM 394 O ASP A 26 7.987 -2.654 8.689 1.00 0.00 O ATOM 395 CB ASP A 26 8.894 -4.563 10.711 1.00 0.00 C ATOM 396 CG ASP A 26 9.962 -5.263 9.868 1.00 0.00 C ATOM 397 OD1 ASP A 26 10.866 -4.617 9.316 1.00 0.00 O ATOM 398 OD2 ASP A 26 9.840 -6.545 9.787 1.00 0.00 O ATOM 0 H ASP A 26 7.163 -3.068 11.737 1.00 0.00 H new ATOM 0 HA ASP A 26 9.992 -2.805 11.288 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.915 -4.981 11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.914 -4.791 10.291 1.00 0.00 H new ATOM 404 N CYS A 27 10.048 -1.783 9.019 1.00 0.00 N ATOM 405 CA CYS A 27 10.125 -1.179 7.700 1.00 0.00 C ATOM 406 C CYS A 27 10.709 -2.212 6.733 1.00 0.00 C ATOM 407 O CYS A 27 10.569 -2.079 5.518 1.00 0.00 O ATOM 408 CB CYS A 27 10.944 0.113 7.716 1.00 0.00 C ATOM 409 SG CYS A 27 10.763 1.117 9.235 1.00 0.00 S ATOM 0 H CYS A 27 10.869 -1.632 9.606 1.00 0.00 H new ATOM 0 HA CYS A 27 9.126 -0.895 7.369 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.997 -0.139 7.587 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.654 0.721 6.859 1.00 0.00 H new ATOM 0 HG CYS A 27 10.067 0.456 10.112 1.00 0.00 H new ATOM 414 N LYS A 28 11.350 -3.218 7.309 1.00 0.00 N ATOM 415 CA LYS A 28 11.955 -4.273 6.513 1.00 0.00 C ATOM 416 C LYS A 28 10.857 -5.191 5.971 1.00 0.00 C ATOM 417 O LYS A 28 11.134 -6.104 5.195 1.00 0.00 O ATOM 418 CB LYS A 28 13.026 -5.007 7.323 1.00 0.00 C ATOM 419 CG LYS A 28 14.195 -4.077 7.656 1.00 0.00 C ATOM 420 CD LYS A 28 15.474 -4.529 6.950 1.00 0.00 C ATOM 421 CE LYS A 28 16.507 -5.037 7.958 1.00 0.00 C ATOM 422 NZ LYS A 28 17.760 -5.419 7.269 1.00 0.00 N ATOM 0 H LYS A 28 11.464 -3.325 8.317 1.00 0.00 H new ATOM 0 HA LYS A 28 12.472 -3.851 5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.590 -5.393 8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.389 -5.866 6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.950 -3.058 7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.356 -4.062 8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.240 -5.318 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.893 -3.698 6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.713 -4.263 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.106 -5.895 8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.450 -5.761 7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.562 -6.173 6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.150 -4.592 6.774 1.00 0.00 H new ATOM 435 N LYS A 29 9.635 -4.916 6.402 1.00 0.00 N ATOM 436 CA LYS A 29 8.494 -5.706 5.970 1.00 0.00 C ATOM 437 C LYS A 29 8.253 -5.471 4.477 1.00 0.00 C ATOM 438 O LYS A 29 8.208 -6.420 3.695 1.00 0.00 O ATOM 439 CB LYS A 29 7.274 -5.408 6.844 1.00 0.00 C ATOM 440 CG LYS A 29 7.131 -6.446 7.958 1.00 0.00 C ATOM 441 CD LYS A 29 6.652 -7.787 7.400 1.00 0.00 C ATOM 442 CE LYS A 29 5.396 -8.268 8.131 1.00 0.00 C ATOM 443 NZ LYS A 29 5.732 -8.710 9.503 1.00 0.00 N ATOM 0 H LYS A 29 9.410 -4.158 7.046 1.00 0.00 H new ATOM 0 HA LYS A 29 8.696 -6.769 6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.368 -4.413 7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.374 -5.403 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.089 -6.579 8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.425 -6.086 8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.442 -7.688 6.335 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.443 -8.530 7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.661 -7.464 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.939 -9.090 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.869 -9.033 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.417 -9.492 9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.147 -7.916 10.032 1.00 0.00 H new ATOM 456 N CYS A 30 8.105 -4.202 4.126 1.00 0.00 N ATOM 457 CA CYS A 30 7.870 -3.831 2.741 1.00 0.00 C ATOM 458 C CYS A 30 9.219 -3.511 2.094 1.00 0.00 C ATOM 459 O CYS A 30 9.557 -4.064 1.048 1.00 0.00 O ATOM 460 CB CYS A 30 6.891 -2.661 2.627 1.00 0.00 C ATOM 461 SG CYS A 30 5.494 -2.900 3.784 1.00 0.00 S ATOM 0 H CYS A 30 8.143 -3.418 4.777 1.00 0.00 H new ATOM 0 HA CYS A 30 7.403 -4.663 2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.403 -1.725 2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.519 -2.585 1.605 1.00 0.00 H new ATOM 0 HG CYS A 30 4.670 -1.900 3.681 1.00 0.00 H new ATOM 466 N HIS A 31 9.954 -2.620 2.743 1.00 0.00 N ATOM 467 CA HIS A 31 11.259 -2.220 2.243 1.00 0.00 C ATOM 468 C HIS A 31 12.249 -3.374 2.414 1.00 0.00 C ATOM 469 O HIS A 31 12.589 -3.745 3.536 1.00 0.00 O ATOM 470 CB HIS A 31 11.728 -0.931 2.921 1.00 0.00 C ATOM 471 CG HIS A 31 10.827 0.255 2.675 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.631 0.799 1.418 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.072 0.995 3.537 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.794 1.820 1.530 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.449 1.940 2.844 1.00 0.00 N ATOM 0 H HIS A 31 9.671 -2.164 3.610 1.00 0.00 H new ATOM 0 HA HIS A 31 11.193 -1.998 1.178 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.800 -1.103 3.995 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.731 -0.691 2.569 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.994 0.838 4.603 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.446 2.447 0.723 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.816 2.641 3.230 1.00 0.00 H new ATOM 483 N GLU A 32 12.684 -3.910 1.283 1.00 0.00 N ATOM 484 CA GLU A 32 13.629 -5.014 1.292 1.00 0.00 C ATOM 485 C GLU A 32 15.059 -4.490 1.146 1.00 0.00 C ATOM 486 O GLU A 32 15.949 -4.887 1.897 1.00 0.00 O ATOM 487 CB GLU A 32 13.301 -6.026 0.192 1.00 0.00 C ATOM 488 CG GLU A 32 13.001 -7.403 0.787 1.00 0.00 C ATOM 489 CD GLU A 32 13.466 -8.518 -0.152 1.00 0.00 C ATOM 490 OE1 GLU A 32 14.565 -8.432 -0.720 1.00 0.00 O ATOM 491 OE2 GLU A 32 12.642 -9.502 -0.281 1.00 0.00 O ATOM 0 H GLU A 32 12.399 -3.600 0.354 1.00 0.00 H new ATOM 0 HA GLU A 32 13.547 -5.528 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.442 -5.679 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.139 -6.100 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.499 -7.503 1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.931 -7.499 0.970 1.00 0.00 H new ATOM 499 N LYS A 33 15.236 -3.607 0.174 1.00 0.00 N ATOM 500 CA LYS A 33 16.543 -3.025 -0.080 1.00 0.00 C ATOM 501 C LYS A 33 16.678 -1.722 0.710 1.00 0.00 C ATOM 502 O LYS A 33 17.452 -0.842 0.335 1.00 0.00 O ATOM 503 CB LYS A 33 16.773 -2.860 -1.583 1.00 0.00 C ATOM 504 CG LYS A 33 16.804 -4.220 -2.286 1.00 0.00 C ATOM 505 CD LYS A 33 17.880 -4.250 -3.373 1.00 0.00 C ATOM 506 CE LYS A 33 18.807 -5.453 -3.193 1.00 0.00 C ATOM 507 NZ LYS A 33 19.632 -5.659 -4.405 1.00 0.00 N ATOM 0 H LYS A 33 14.496 -3.280 -0.447 1.00 0.00 H new ATOM 0 HA LYS A 33 17.332 -3.692 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.982 -2.244 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.713 -2.336 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.997 -5.006 -1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.829 -4.427 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.409 -4.293 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.462 -3.329 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.453 -5.296 -2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.217 -6.347 -2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.255 -6.480 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.012 -5.830 -5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.209 -4.812 -4.580 1.00 0.00 H new ATOM 520 N GLY A 34 15.912 -1.638 1.788 1.00 0.00 N ATOM 521 CA GLY A 34 15.937 -0.456 2.633 1.00 0.00 C ATOM 522 C GLY A 34 14.838 0.529 2.230 1.00 0.00 C ATOM 523 O GLY A 34 14.135 0.353 1.237 1.00 0.00 O ATOM 0 H GLY A 34 15.270 -2.369 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.805 -0.747 3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.910 0.029 2.558 1.00 0.00 H new ATOM 527 N PRO A 35 14.704 1.586 3.035 1.00 0.00 N ATOM 528 CA PRO A 35 13.733 2.640 2.842 1.00 0.00 C ATOM 529 C PRO A 35 13.965 3.310 1.495 1.00 0.00 C ATOM 530 O PRO A 35 15.121 3.495 1.116 1.00 0.00 O ATOM 531 CB PRO A 35 13.982 3.617 3.990 1.00 0.00 C ATOM 532 CG PRO A 35 15.398 3.324 4.471 1.00 0.00 C ATOM 533 CD PRO A 35 15.514 1.824 4.211 1.00 0.00 C ATOM 0 HA PRO A 35 12.706 2.275 2.842 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.887 4.650 3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.257 3.474 4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.144 3.894 3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.530 3.567 5.525 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.550 1.531 4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.154 1.246 5.062 1.00 0.00 H new ATOM 541 N GLY A 36 12.886 3.653 0.808 1.00 0.00 N ATOM 542 CA GLY A 36 12.998 4.296 -0.490 1.00 0.00 C ATOM 543 C GLY A 36 11.959 3.743 -1.467 1.00 0.00 C ATOM 544 O GLY A 36 11.003 3.087 -1.057 1.00 0.00 O ATOM 0 H GLY A 36 11.929 3.498 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.862 5.372 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.999 4.140 -0.892 1.00 0.00 H new ATOM 548 N LYS A 37 12.181 4.029 -2.742 1.00 0.00 N ATOM 549 CA LYS A 37 11.276 3.569 -3.781 1.00 0.00 C ATOM 550 C LYS A 37 11.410 2.053 -3.933 1.00 0.00 C ATOM 551 O LYS A 37 12.490 1.498 -3.735 1.00 0.00 O ATOM 552 CB LYS A 37 11.515 4.341 -5.080 1.00 0.00 C ATOM 553 CG LYS A 37 10.214 4.504 -5.868 1.00 0.00 C ATOM 554 CD LYS A 37 10.124 3.477 -6.998 1.00 0.00 C ATOM 555 CE LYS A 37 10.302 4.145 -8.363 1.00 0.00 C ATOM 556 NZ LYS A 37 9.000 4.260 -9.057 1.00 0.00 N ATOM 0 H LYS A 37 12.975 4.574 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 37 10.242 3.772 -3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.932 5.322 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.250 3.816 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.362 4.388 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.159 5.511 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.889 2.713 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.159 2.972 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.742 5.134 -8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.995 3.564 -8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.139 4.715 -9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.595 3.312 -9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.350 4.834 -8.483 1.00 0.00 H new ATOM 569 N ILE A 38 10.297 1.425 -4.283 1.00 0.00 N ATOM 570 CA ILE A 38 10.276 -0.017 -4.464 1.00 0.00 C ATOM 571 C ILE A 38 10.280 -0.339 -5.960 1.00 0.00 C ATOM 572 O ILE A 38 9.367 0.052 -6.685 1.00 0.00 O ATOM 573 CB ILE A 38 9.100 -0.635 -3.705 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.166 -0.289 -2.216 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.030 -2.145 -3.940 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.874 -0.692 -1.502 1.00 0.00 C ATOM 0 H ILE A 38 9.403 1.888 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 38 11.172 -0.468 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 38 8.177 -0.205 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.013 -0.799 -1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.334 0.781 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.186 -2.560 -3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.902 -2.342 -5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.953 -2.610 -3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.947 -0.435 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.032 -0.162 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.722 -1.766 -1.605 1.00 0.00 H new ATOM 588 N GLU A 39 11.318 -1.048 -6.377 1.00 0.00 N ATOM 589 CA GLU A 39 11.453 -1.428 -7.773 1.00 0.00 C ATOM 590 C GLU A 39 10.645 -2.695 -8.060 1.00 0.00 C ATOM 591 O GLU A 39 10.745 -3.678 -7.327 1.00 0.00 O ATOM 592 CB GLU A 39 12.924 -1.618 -8.150 1.00 0.00 C ATOM 593 CG GLU A 39 13.641 -0.271 -8.257 1.00 0.00 C ATOM 594 CD GLU A 39 14.395 -0.154 -9.583 1.00 0.00 C ATOM 595 OE1 GLU A 39 14.699 -1.177 -10.215 1.00 0.00 O ATOM 596 OE2 GLU A 39 14.665 1.052 -9.953 1.00 0.00 O ATOM 0 H GLU A 39 12.074 -1.370 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 39 11.056 -0.621 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.418 -2.238 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.994 -2.148 -9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.916 0.538 -8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.339 -0.160 -7.427 1.00 0.00 H new ATOM 604 N GLY A 40 9.863 -2.631 -9.127 1.00 0.00 N ATOM 605 CA GLY A 40 9.038 -3.761 -9.520 1.00 0.00 C ATOM 606 C GLY A 40 7.566 -3.505 -9.193 1.00 0.00 C ATOM 607 O GLY A 40 6.682 -3.862 -9.971 1.00 0.00 O ATOM 0 H GLY A 40 9.783 -1.814 -9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.150 -3.944 -10.589 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.377 -4.660 -9.006 1.00 0.00 H new ATOM 611 N PHE A 41 7.347 -2.889 -8.041 1.00 0.00 N ATOM 612 CA PHE A 41 5.996 -2.581 -7.602 1.00 0.00 C ATOM 613 C PHE A 41 5.093 -2.258 -8.793 1.00 0.00 C ATOM 614 O PHE A 41 5.561 -1.754 -9.813 1.00 0.00 O ATOM 615 CB PHE A 41 6.090 -1.350 -6.698 1.00 0.00 C ATOM 616 CG PHE A 41 4.767 -0.967 -6.030 1.00 0.00 C ATOM 617 CD1 PHE A 41 3.898 -0.139 -6.669 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.462 -1.454 -4.797 1.00 0.00 C ATOM 619 CE1 PHE A 41 2.671 0.216 -6.049 1.00 0.00 C ATOM 620 CE2 PHE A 41 3.235 -1.098 -4.178 1.00 0.00 C ATOM 621 CZ PHE A 41 2.365 -0.271 -4.817 1.00 0.00 C ATOM 0 H PHE A 41 8.082 -2.595 -7.398 1.00 0.00 H new ATOM 0 HA PHE A 41 5.569 -3.437 -7.080 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.835 -1.536 -5.925 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.446 -0.505 -7.288 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.141 0.248 -7.647 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.153 -2.111 -4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.980 0.873 -6.556 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.992 -1.484 -3.199 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.431 -0.001 -4.346 1.00 0.00 H new ATOM 631 N GLY A 42 3.814 -2.560 -8.624 1.00 0.00 N ATOM 632 CA GLY A 42 2.840 -2.308 -9.673 1.00 0.00 C ATOM 633 C GLY A 42 1.458 -2.830 -9.276 1.00 0.00 C ATOM 634 O GLY A 42 1.188 -3.046 -8.095 1.00 0.00 O ATOM 0 H GLY A 42 3.429 -2.977 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.785 -1.238 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.163 -2.789 -10.597 1.00 0.00 H new ATOM 638 N LYS A 43 0.619 -3.017 -10.284 1.00 0.00 N ATOM 639 CA LYS A 43 -0.728 -3.510 -10.055 1.00 0.00 C ATOM 640 C LYS A 43 -0.658 -4.862 -9.342 1.00 0.00 C ATOM 641 O LYS A 43 -0.870 -4.942 -8.133 1.00 0.00 O ATOM 642 CB LYS A 43 -1.516 -3.547 -11.366 1.00 0.00 C ATOM 643 CG LYS A 43 -3.020 -3.627 -11.100 1.00 0.00 C ATOM 644 CD LYS A 43 -3.700 -4.584 -12.081 1.00 0.00 C ATOM 645 CE LYS A 43 -4.897 -3.914 -12.759 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.379 -4.738 -13.890 1.00 0.00 N ATOM 0 H LYS A 43 0.846 -2.836 -11.262 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.275 -2.831 -9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.294 -2.656 -11.953 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.202 -4.406 -11.959 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.195 -3.963 -10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.462 -2.635 -11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.983 -4.906 -12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.030 -5.478 -11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.700 -3.773 -12.036 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.613 -2.924 -13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.191 -4.269 -14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.616 -4.851 -14.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.669 -5.673 -13.539 1.00 0.00 H new ATOM 659 N GLU A 44 -0.359 -5.891 -10.121 1.00 0.00 N ATOM 660 CA GLU A 44 -0.258 -7.235 -9.579 1.00 0.00 C ATOM 661 C GLU A 44 0.319 -7.195 -8.162 1.00 0.00 C ATOM 662 O GLU A 44 -0.087 -7.973 -7.301 1.00 0.00 O ATOM 663 CB GLU A 44 0.586 -8.131 -10.489 1.00 0.00 C ATOM 664 CG GLU A 44 -0.224 -8.602 -11.698 1.00 0.00 C ATOM 665 CD GLU A 44 -1.364 -7.629 -12.007 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.446 -7.732 -11.411 1.00 0.00 O ATOM 667 OE2 GLU A 44 -1.094 -6.741 -12.903 1.00 0.00 O ATOM 0 H GLU A 44 -0.183 -5.821 -11.123 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.260 -7.662 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.467 -7.585 -10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.942 -8.994 -9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.429 -8.690 -12.566 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.631 -9.594 -11.504 1.00 0.00 H new ATOM 675 N MET A 45 1.256 -6.279 -7.965 1.00 0.00 N ATOM 676 CA MET A 45 1.892 -6.126 -6.668 1.00 0.00 C ATOM 677 C MET A 45 0.919 -5.533 -5.647 1.00 0.00 C ATOM 678 O MET A 45 0.678 -6.127 -4.596 1.00 0.00 O ATOM 679 CB MET A 45 3.112 -5.213 -6.801 1.00 0.00 C ATOM 680 CG MET A 45 4.308 -5.780 -6.034 1.00 0.00 C ATOM 681 SD MET A 45 3.998 -5.705 -4.278 1.00 0.00 S ATOM 682 CE MET A 45 5.581 -6.253 -3.660 1.00 0.00 C ATOM 0 H MET A 45 1.590 -5.635 -8.682 1.00 0.00 H new ATOM 0 HA MET A 45 2.201 -7.111 -6.318 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.372 -5.098 -7.853 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.870 -4.220 -6.422 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.488 -6.812 -6.336 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.208 -5.215 -6.277 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.562 -6.265 -2.570 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.789 -7.257 -4.031 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.360 -5.572 -4.001 1.00 0.00 H new ATOM 692 N ALA A 46 0.387 -4.369 -5.990 1.00 0.00 N ATOM 693 CA ALA A 46 -0.553 -3.689 -5.116 1.00 0.00 C ATOM 694 C ALA A 46 -1.677 -4.655 -4.733 1.00 0.00 C ATOM 695 O ALA A 46 -1.972 -4.832 -3.552 1.00 0.00 O ATOM 696 CB ALA A 46 -1.078 -2.431 -5.811 1.00 0.00 C ATOM 0 H ALA A 46 0.589 -3.880 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.062 -3.373 -4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.783 -1.921 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.245 -1.765 -6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.580 -2.710 -6.737 1.00 0.00 H new ATOM 702 N HIS A 47 -2.273 -5.254 -5.754 1.00 0.00 N ATOM 703 CA HIS A 47 -3.357 -6.197 -5.538 1.00 0.00 C ATOM 704 C HIS A 47 -2.803 -7.484 -4.925 1.00 0.00 C ATOM 705 O HIS A 47 -3.469 -8.127 -4.115 1.00 0.00 O ATOM 706 CB HIS A 47 -4.129 -6.443 -6.836 1.00 0.00 C ATOM 707 CG HIS A 47 -4.670 -5.187 -7.477 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.832 -5.052 -8.844 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.085 -4.011 -6.922 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.322 -3.846 -9.091 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.477 -3.202 -7.898 1.00 0.00 N ATOM 0 H HIS A 47 -2.026 -5.105 -6.732 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.073 -5.778 -4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.474 -6.948 -7.546 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.958 -7.120 -6.631 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.093 -3.778 -5.867 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.557 -3.443 -10.065 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.835 -2.255 -7.776 1.00 0.00 H new ATOM 719 N GLY A 48 -1.589 -7.822 -5.335 1.00 0.00 N ATOM 720 CA GLY A 48 -0.938 -9.022 -4.836 1.00 0.00 C ATOM 721 C GLY A 48 -0.480 -8.835 -3.388 1.00 0.00 C ATOM 722 O GLY A 48 -1.232 -8.331 -2.555 1.00 0.00 O ATOM 0 H GLY A 48 -1.039 -7.286 -6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.626 -9.866 -4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.081 -9.263 -5.464 1.00 0.00 H new ATOM 726 N LYS A 49 0.752 -9.251 -3.132 1.00 0.00 N ATOM 727 CA LYS A 49 1.319 -9.135 -1.799 1.00 0.00 C ATOM 728 C LYS A 49 1.964 -7.757 -1.642 1.00 0.00 C ATOM 729 O LYS A 49 3.023 -7.629 -1.029 1.00 0.00 O ATOM 730 CB LYS A 49 2.276 -10.297 -1.522 1.00 0.00 C ATOM 731 CG LYS A 49 3.558 -10.159 -2.345 1.00 0.00 C ATOM 732 CD LYS A 49 4.161 -11.531 -2.654 1.00 0.00 C ATOM 733 CE LYS A 49 5.436 -11.765 -1.841 1.00 0.00 C ATOM 734 NZ LYS A 49 5.311 -12.992 -1.022 1.00 0.00 N ATOM 0 H LYS A 49 1.373 -9.669 -3.825 1.00 0.00 H new ATOM 0 HA LYS A 49 0.536 -9.209 -1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.522 -10.325 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.786 -11.241 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.342 -9.635 -3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.282 -9.554 -1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.434 -12.311 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.386 -11.602 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.291 -11.854 -2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.625 -10.907 -1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.185 -13.136 -0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.508 -12.893 -0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.153 -13.810 -1.644 1.00 0.00 H new ATOM 747 N GLY A 50 1.298 -6.760 -2.206 1.00 0.00 N ATOM 748 CA GLY A 50 1.793 -5.395 -2.135 1.00 0.00 C ATOM 749 C GLY A 50 0.934 -4.548 -1.194 1.00 0.00 C ATOM 750 O GLY A 50 1.449 -3.943 -0.255 1.00 0.00 O ATOM 0 H GLY A 50 0.420 -6.870 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.826 -5.397 -1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.793 -4.952 -3.131 1.00 0.00 H new ATOM 754 N CYS A 51 -0.360 -4.533 -1.479 1.00 0.00 N ATOM 755 CA CYS A 51 -1.295 -3.770 -0.669 1.00 0.00 C ATOM 756 C CYS A 51 -2.377 -4.724 -0.158 1.00 0.00 C ATOM 757 O CYS A 51 -2.272 -5.252 0.947 1.00 0.00 O ATOM 758 CB CYS A 51 -1.890 -2.596 -1.448 1.00 0.00 C ATOM 759 SG CYS A 51 -0.669 -1.363 -2.031 1.00 0.00 S ATOM 0 H CYS A 51 -0.783 -5.037 -2.259 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.771 -3.329 0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.430 -2.987 -2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.621 -2.092 -0.816 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.283 -0.417 -2.678 1.00 0.00 H new ATOM 764 N LYS A 52 -3.392 -4.915 -0.988 1.00 0.00 N ATOM 765 CA LYS A 52 -4.492 -5.795 -0.635 1.00 0.00 C ATOM 766 C LYS A 52 -3.937 -7.054 0.034 1.00 0.00 C ATOM 767 O LYS A 52 -4.417 -7.463 1.091 1.00 0.00 O ATOM 768 CB LYS A 52 -5.364 -6.082 -1.859 1.00 0.00 C ATOM 769 CG LYS A 52 -6.331 -4.927 -2.126 1.00 0.00 C ATOM 770 CD LYS A 52 -7.747 -5.446 -2.383 1.00 0.00 C ATOM 771 CE LYS A 52 -7.855 -6.082 -3.770 1.00 0.00 C ATOM 772 NZ LYS A 52 -8.362 -7.469 -3.667 1.00 0.00 N ATOM 0 H LYS A 52 -3.475 -4.475 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.149 -5.312 0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.731 -6.240 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.926 -7.003 -1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.338 -4.249 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.988 -4.353 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.013 -6.179 -1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.460 -4.626 -2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.522 -5.490 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.878 -6.081 -4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.429 -7.886 -4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.710 -8.035 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.303 -7.463 -3.225 1.00 0.00 H new ATOM 785 N GLY A 53 -2.935 -7.634 -0.609 1.00 0.00 N ATOM 786 CA GLY A 53 -2.309 -8.839 -0.090 1.00 0.00 C ATOM 787 C GLY A 53 -2.309 -8.840 1.441 1.00 0.00 C ATOM 788 O GLY A 53 -3.020 -9.626 2.064 1.00 0.00 O ATOM 0 H GLY A 53 -2.540 -7.292 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.840 -9.717 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.285 -8.909 -0.458 1.00 0.00 H new ATOM 792 N CYS A 54 -1.503 -7.950 2.001 1.00 0.00 N ATOM 793 CA CYS A 54 -1.400 -7.839 3.446 1.00 0.00 C ATOM 794 C CYS A 54 -2.808 -7.652 4.015 1.00 0.00 C ATOM 795 O CYS A 54 -3.171 -8.286 5.004 1.00 0.00 O ATOM 796 CB CYS A 54 -0.461 -6.704 3.861 1.00 0.00 C ATOM 797 SG CYS A 54 -0.107 -6.808 5.653 1.00 0.00 S ATOM 0 H CYS A 54 -0.915 -7.299 1.480 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.963 -8.751 3.853 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.468 -6.764 3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.915 -5.741 3.627 1.00 0.00 H new ATOM 0 HG CYS A 54 0.692 -5.841 5.994 1.00 0.00 H new ATOM 802 N HIS A 55 -3.563 -6.779 3.364 1.00 0.00 N ATOM 803 CA HIS A 55 -4.923 -6.501 3.792 1.00 0.00 C ATOM 804 C HIS A 55 -5.703 -7.812 3.910 1.00 0.00 C ATOM 805 O HIS A 55 -6.009 -8.260 5.013 1.00 0.00 O ATOM 806 CB HIS A 55 -5.593 -5.495 2.855 1.00 0.00 C ATOM 807 CG HIS A 55 -5.038 -4.094 2.959 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.524 -3.037 2.209 1.00 0.00 N ATOM 809 CD2 HIS A 55 -4.035 -3.588 3.733 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.837 -1.949 2.525 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.914 -2.293 3.469 1.00 0.00 N ATOM 0 H HIS A 55 -3.258 -6.255 2.543 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.909 -6.037 4.778 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.484 -5.843 1.828 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.661 -5.469 3.071 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.282 -3.087 1.529 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.440 -4.147 4.441 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.982 -0.963 2.109 1.00 0.00 H new ATOM 819 N GLU A 56 -6.002 -8.390 2.756 1.00 0.00 N ATOM 820 CA GLU A 56 -6.740 -9.641 2.715 1.00 0.00 C ATOM 821 C GLU A 56 -6.007 -10.717 3.518 1.00 0.00 C ATOM 822 O GLU A 56 -6.617 -11.686 3.968 1.00 0.00 O ATOM 823 CB GLU A 56 -6.970 -10.096 1.272 1.00 0.00 C ATOM 824 CG GLU A 56 -5.811 -9.664 0.370 1.00 0.00 C ATOM 825 CD GLU A 56 -5.674 -10.600 -0.832 1.00 0.00 C ATOM 826 OE1 GLU A 56 -6.322 -10.380 -1.866 1.00 0.00 O ATOM 827 OE2 GLU A 56 -4.859 -11.586 -0.665 1.00 0.00 O ATOM 0 H GLU A 56 -5.747 -8.015 1.842 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.717 -9.478 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.075 -11.180 1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.903 -9.675 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.976 -8.644 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.883 -9.661 0.941 1.00 0.00 H new ATOM 835 N GLU A 57 -4.707 -10.510 3.675 1.00 0.00 N ATOM 836 CA GLU A 57 -3.884 -11.451 4.416 1.00 0.00 C ATOM 837 C GLU A 57 -4.270 -11.441 5.897 1.00 0.00 C ATOM 838 O GLU A 57 -4.583 -12.485 6.468 1.00 0.00 O ATOM 839 CB GLU A 57 -2.397 -11.139 4.235 1.00 0.00 C ATOM 840 CG GLU A 57 -1.533 -12.083 5.074 1.00 0.00 C ATOM 841 CD GLU A 57 -0.136 -11.498 5.292 1.00 0.00 C ATOM 842 OE1 GLU A 57 0.520 -11.084 4.325 1.00 0.00 O ATOM 843 OE2 GLU A 57 0.263 -11.483 6.518 1.00 0.00 O ATOM 0 H GLU A 57 -4.204 -9.705 3.302 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.063 -12.451 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.128 -11.232 3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.200 -10.107 4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.011 -12.260 6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.453 -13.049 4.575 1.00 0.00 H new ATOM 851 N MET A 58 -4.235 -10.250 6.477 1.00 0.00 N ATOM 852 CA MET A 58 -4.577 -10.091 7.880 1.00 0.00 C ATOM 853 C MET A 58 -6.086 -9.913 8.060 1.00 0.00 C ATOM 854 O MET A 58 -6.584 -9.900 9.185 1.00 0.00 O ATOM 855 CB MET A 58 -3.848 -8.871 8.448 1.00 0.00 C ATOM 856 CG MET A 58 -2.331 -9.059 8.381 1.00 0.00 C ATOM 857 SD MET A 58 -1.692 -9.451 10.001 1.00 0.00 S ATOM 858 CE MET A 58 -1.572 -7.809 10.692 1.00 0.00 C ATOM 0 H MET A 58 -3.975 -9.386 6.001 1.00 0.00 H new ATOM 0 HA MET A 58 -4.270 -10.990 8.414 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.133 -7.980 7.889 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.153 -8.709 9.482 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.086 -9.858 7.681 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.860 -8.151 8.005 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.186 -7.870 11.710 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.897 -7.207 10.084 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.559 -7.347 10.705 1.00 0.00 H new ATOM 868 N LYS A 59 -6.772 -9.781 6.934 1.00 0.00 N ATOM 869 CA LYS A 59 -8.215 -9.605 6.953 1.00 0.00 C ATOM 870 C LYS A 59 -8.545 -8.193 7.440 1.00 0.00 C ATOM 871 O LYS A 59 -9.691 -7.902 7.780 1.00 0.00 O ATOM 872 CB LYS A 59 -8.878 -10.710 7.777 1.00 0.00 C ATOM 873 CG LYS A 59 -9.590 -11.717 6.870 1.00 0.00 C ATOM 874 CD LYS A 59 -10.765 -11.064 6.141 1.00 0.00 C ATOM 875 CE LYS A 59 -12.028 -11.918 6.261 1.00 0.00 C ATOM 876 NZ LYS A 59 -13.160 -11.271 5.561 1.00 0.00 N ATOM 0 H LYS A 59 -6.356 -9.792 6.003 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.624 -9.700 5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.126 -11.223 8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.594 -10.271 8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.884 -12.119 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.948 -12.557 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.951 -10.074 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.514 -10.926 5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.848 -12.906 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.278 -12.063 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.009 -11.864 5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.342 -10.338 5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.925 -11.155 4.554 1.00 0.00 H new ATOM 889 N LYS A 60 -7.521 -7.352 7.458 1.00 0.00 N ATOM 890 CA LYS A 60 -7.688 -5.978 7.898 1.00 0.00 C ATOM 891 C LYS A 60 -7.314 -5.032 6.755 1.00 0.00 C ATOM 892 O LYS A 60 -6.417 -5.328 5.968 1.00 0.00 O ATOM 893 CB LYS A 60 -6.900 -5.727 9.186 1.00 0.00 C ATOM 894 CG LYS A 60 -7.307 -6.718 10.278 1.00 0.00 C ATOM 895 CD LYS A 60 -6.407 -6.578 11.508 1.00 0.00 C ATOM 896 CE LYS A 60 -7.044 -7.238 12.732 1.00 0.00 C ATOM 897 NZ LYS A 60 -8.158 -6.410 13.246 1.00 0.00 N ATOM 0 H LYS A 60 -6.572 -7.596 7.175 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.731 -5.783 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.832 -5.818 8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.075 -4.708 9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.345 -6.546 10.561 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.246 -7.736 9.892 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.438 -7.035 11.308 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.226 -5.523 11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.412 -8.230 12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.294 -7.373 13.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.390 -6.703 14.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.876 -5.409 13.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.993 -6.535 12.638 1.00 0.00 H new ATOM 910 N GLY A 61 -8.022 -3.913 6.700 1.00 0.00 N ATOM 911 CA GLY A 61 -7.776 -2.922 5.666 1.00 0.00 C ATOM 912 C GLY A 61 -8.753 -3.091 4.501 1.00 0.00 C ATOM 913 O GLY A 61 -9.452 -4.094 4.375 1.00 0.00 O ATOM 0 H GLY A 61 -8.766 -3.671 7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.875 -1.921 6.086 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.752 -3.016 5.303 1.00 0.00 H new ATOM 917 N PRO A 62 -8.785 -2.071 3.639 1.00 0.00 N ATOM 918 CA PRO A 62 -9.633 -2.020 2.468 1.00 0.00 C ATOM 919 C PRO A 62 -9.158 -3.047 1.449 1.00 0.00 C ATOM 920 O PRO A 62 -7.997 -2.992 1.048 1.00 0.00 O ATOM 921 CB PRO A 62 -9.472 -0.600 1.930 1.00 0.00 C ATOM 922 CG PRO A 62 -8.127 -0.166 2.414 1.00 0.00 C ATOM 923 CD PRO A 62 -7.977 -0.877 3.757 1.00 0.00 C ATOM 0 HA PRO A 62 -10.676 -2.249 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.528 -0.579 0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.258 0.057 2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.339 -0.455 1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.072 0.917 2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.935 -1.124 3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.320 -0.247 4.578 1.00 0.00 H new ATOM 931 N THR A 63 -10.046 -3.948 1.056 1.00 0.00 N ATOM 932 CA THR A 63 -9.694 -4.973 0.089 1.00 0.00 C ATOM 933 C THR A 63 -10.638 -4.918 -1.114 1.00 0.00 C ATOM 934 O THR A 63 -10.420 -5.603 -2.112 1.00 0.00 O ATOM 935 CB THR A 63 -9.703 -6.324 0.806 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.072 -6.529 1.143 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.990 -6.273 2.159 1.00 0.00 C ATOM 0 H THR A 63 -11.009 -3.989 1.390 1.00 0.00 H new ATOM 0 HA THR A 63 -8.694 -4.809 -0.314 1.00 0.00 H new ATOM 0 HB THR A 63 -9.228 -7.074 0.173 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.169 -7.385 1.610 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.025 -7.257 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.951 -5.978 2.012 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.485 -5.547 2.804 1.00 0.00 H new ATOM 945 N LYS A 64 -11.668 -4.095 -0.980 1.00 0.00 N ATOM 946 CA LYS A 64 -12.646 -3.941 -2.043 1.00 0.00 C ATOM 947 C LYS A 64 -12.270 -2.735 -2.906 1.00 0.00 C ATOM 948 O LYS A 64 -11.573 -1.832 -2.446 1.00 0.00 O ATOM 949 CB LYS A 64 -14.060 -3.866 -1.464 1.00 0.00 C ATOM 950 CG LYS A 64 -14.329 -5.040 -0.520 1.00 0.00 C ATOM 951 CD LYS A 64 -15.590 -5.800 -0.936 1.00 0.00 C ATOM 952 CE LYS A 64 -15.356 -7.312 -0.898 1.00 0.00 C ATOM 953 NZ LYS A 64 -16.557 -8.034 -1.371 1.00 0.00 N ATOM 0 H LYS A 64 -11.846 -3.528 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.640 -4.814 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.187 -2.926 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.789 -3.872 -2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.475 -5.717 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.441 -4.673 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.413 -5.539 -0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.885 -5.499 -1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.500 -7.569 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.114 -7.623 0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.381 -9.059 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.365 -7.802 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.770 -7.750 -2.348 1.00 0.00 H new ATOM 966 N CYS A 65 -12.748 -2.759 -4.141 1.00 0.00 N ATOM 967 CA CYS A 65 -12.471 -1.679 -5.073 1.00 0.00 C ATOM 968 C CYS A 65 -13.234 -0.436 -4.608 1.00 0.00 C ATOM 969 O CYS A 65 -14.218 -0.545 -3.878 1.00 0.00 O ATOM 970 CB CYS A 65 -12.828 -2.064 -6.509 1.00 0.00 C ATOM 971 SG CYS A 65 -12.762 -3.858 -6.862 1.00 0.00 S ATOM 0 H CYS A 65 -13.326 -3.510 -4.518 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.402 -1.467 -5.080 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.832 -1.702 -6.728 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.148 -1.549 -7.188 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.084 -4.068 -8.104 1.00 0.00 H new ATOM 976 N GLY A 66 -12.751 0.715 -5.050 1.00 0.00 N ATOM 977 CA GLY A 66 -13.375 1.977 -4.689 1.00 0.00 C ATOM 978 C GLY A 66 -12.802 2.516 -3.377 1.00 0.00 C ATOM 979 O GLY A 66 -12.668 3.727 -3.204 1.00 0.00 O ATOM 0 H GLY A 66 -11.934 0.801 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.218 2.705 -5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.452 1.839 -4.590 1.00 0.00 H new ATOM 983 N GLU A 67 -12.479 1.591 -2.485 1.00 0.00 N ATOM 984 CA GLU A 67 -11.924 1.958 -1.193 1.00 0.00 C ATOM 985 C GLU A 67 -10.481 2.441 -1.354 1.00 0.00 C ATOM 986 O GLU A 67 -9.952 3.129 -0.482 1.00 0.00 O ATOM 987 CB GLU A 67 -12.004 0.789 -0.210 1.00 0.00 C ATOM 988 CG GLU A 67 -12.554 1.248 1.143 1.00 0.00 C ATOM 989 CD GLU A 67 -12.602 0.086 2.137 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.847 -1.062 1.738 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.372 0.409 3.365 1.00 0.00 O ATOM 0 H GLU A 67 -12.591 0.588 -2.632 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.517 2.775 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.643 0.007 -0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.014 0.354 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.929 2.047 1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.554 1.661 1.012 1.00 0.00 H new ATOM 999 N CYS A 68 -9.885 2.062 -2.475 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.514 2.448 -2.761 1.00 0.00 C ATOM 1001 C CYS A 68 -8.526 3.431 -3.934 1.00 0.00 C ATOM 1002 O CYS A 68 -7.899 4.487 -3.870 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.631 1.232 -3.046 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.509 0.928 -1.632 1.00 0.00 S ATOM 0 H CYS A 68 -10.327 1.492 -3.196 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.081 2.932 -1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.253 0.354 -3.223 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.050 1.399 -3.953 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.765 -0.108 -1.883 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.246 3.048 -4.978 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.349 3.882 -6.163 1.00 0.00 C ATOM 1011 C HIS A 69 -10.512 4.862 -6.002 1.00 0.00 C ATOM 1012 O HIS A 69 -11.672 4.488 -6.170 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.467 3.023 -7.424 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.311 2.074 -7.631 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.048 2.501 -8.002 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.240 0.717 -7.514 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.260 1.440 -8.102 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.001 0.335 -7.800 1.00 0.00 N ATOM 0 H HIS A 69 -9.764 2.171 -5.028 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.438 4.470 -6.278 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.392 2.448 -7.374 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.546 3.678 -8.292 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.771 3.468 -8.170 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.054 0.064 -7.236 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.215 1.449 -8.375 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.162 6.098 -5.679 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.163 7.135 -5.493 1.00 0.00 C ATOM 1028 C LYS A 70 -11.128 8.091 -6.687 1.00 0.00 C ATOM 1029 O LYS A 70 -10.124 8.762 -6.921 1.00 0.00 O ATOM 1030 CB LYS A 70 -10.971 7.830 -4.144 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.280 6.877 -2.987 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.501 7.352 -2.197 1.00 0.00 C ATOM 1033 CE LYS A 70 -12.694 6.515 -0.931 1.00 0.00 C ATOM 1034 NZ LYS A 70 -11.958 7.115 0.204 1.00 0.00 N ATOM 0 H LYS A 70 -9.199 6.405 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.161 6.699 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.946 8.190 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.621 8.703 -4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.461 5.875 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.417 6.811 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.379 8.401 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.392 7.284 -2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.755 6.449 -0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.342 5.498 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.100 6.535 1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.944 7.156 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.313 8.077 0.378 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.237 8.123 -7.411 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.346 8.986 -8.575 1.00 0.00 C ATOM 1049 C LYS A 71 -12.339 10.448 -8.124 1.00 0.00 C ATOM 1050 O LYS A 71 -12.709 10.753 -6.991 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.570 8.606 -9.411 1.00 0.00 C ATOM 1052 CG LYS A 71 -14.863 9.044 -8.720 1.00 0.00 C ATOM 1053 CD LYS A 71 -16.090 8.515 -9.465 1.00 0.00 C ATOM 1054 CE LYS A 71 -16.621 9.554 -10.455 1.00 0.00 C ATOM 1055 NZ LYS A 71 -15.810 9.551 -11.693 1.00 0.00 N ATOM 0 H LYS A 71 -13.068 7.565 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.486 8.851 -9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.503 9.072 -10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.586 7.528 -9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.872 8.679 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.903 10.132 -8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.830 7.600 -9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.871 8.257 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.662 9.338 -10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.597 10.544 -10.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.382 9.910 -12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.977 10.160 -11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.500 8.581 -11.902 1.00 0.00 H new