USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=15 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= -3.78! C(o=-3!,f=-2.5!) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.734 K(o=-3,f=-12!) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -0.45 K(o=0.35,f=-2!) USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.798 K(o=0.35,f=-3.7!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -1.28! C(o=-4.8!,f=-8.4!) USER MOD Set 3.2: A 21 GLN : amide:sc= -3.02! C(o=-4.8!,f=-5.8!) USER MOD Set 3.3: A 31 HIS : no HD1:sc= -0.474 X(o=-4.8,f=-4.8) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= -0.34 (180deg=-1.18) USER MOD Single : A 10 ASN : amide:sc= -0.0275 X(o=-0.027,f=-0.15) USER MOD Single : A 14 LYS NZ :NH3+ -139:sc= -0.299 (180deg=-0.716) 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= 0.0302 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.029) 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 -139:sc= -0.0183 (180deg=-0.183) 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+ -178:sc= 0 (180deg=-0.00431) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.138 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.155 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 4.170 11.411 4.525 1.00 0.00 N ATOM 12 CA ASP A 2 3.607 10.081 4.684 1.00 0.00 C ATOM 13 C ASP A 2 2.499 9.874 3.650 1.00 0.00 C ATOM 14 O ASP A 2 2.262 8.752 3.204 1.00 0.00 O ATOM 15 CB ASP A 2 2.995 9.905 6.075 1.00 0.00 C ATOM 16 CG ASP A 2 3.576 10.817 7.157 1.00 0.00 C ATOM 17 OD1 ASP A 2 2.939 11.794 7.580 1.00 0.00 O ATOM 18 OD2 ASP A 2 4.751 10.486 7.576 1.00 0.00 O ATOM 0 HA ASP A 2 4.410 9.356 4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.922 10.083 6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.127 8.868 6.385 1.00 0.00 H new ATOM 24 N ASP A 3 1.849 10.974 3.298 1.00 0.00 N ATOM 25 CA ASP A 3 0.771 10.927 2.324 1.00 0.00 C ATOM 26 C ASP A 3 1.363 10.785 0.921 1.00 0.00 C ATOM 27 O ASP A 3 2.073 11.672 0.450 1.00 0.00 O ATOM 28 CB ASP A 3 -0.058 12.212 2.359 1.00 0.00 C ATOM 29 CG ASP A 3 0.097 13.048 3.631 1.00 0.00 C ATOM 30 OD1 ASP A 3 -0.250 12.602 4.735 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.605 14.221 3.454 1.00 0.00 O ATOM 0 H ASP A 3 2.048 11.903 3.670 1.00 0.00 H new ATOM 0 HA ASP A 3 0.132 10.078 2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.217 12.827 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.110 11.951 2.240 1.00 0.00 H new ATOM 37 N ILE A 4 1.049 9.661 0.292 1.00 0.00 N ATOM 38 CA ILE A 4 1.541 9.391 -1.048 1.00 0.00 C ATOM 39 C ILE A 4 0.365 9.016 -1.952 1.00 0.00 C ATOM 40 O ILE A 4 -0.426 8.136 -1.615 1.00 0.00 O ATOM 41 CB ILE A 4 2.649 8.337 -1.010 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.759 8.743 -0.039 1.00 0.00 C ATOM 43 CG2 ILE A 4 3.188 8.057 -2.414 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.976 7.827 -0.184 1.00 0.00 C ATOM 0 H ILE A 4 0.460 8.927 0.686 1.00 0.00 H new ATOM 0 HA ILE A 4 1.998 10.284 -1.473 1.00 0.00 H new ATOM 0 HB ILE A 4 2.222 7.406 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.052 9.776 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.386 8.699 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.974 7.304 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.380 7.692 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.594 8.975 -2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.751 8.137 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.685 6.798 0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.361 7.892 -1.202 1.00 0.00 H new ATOM 56 N VAL A 5 0.287 9.701 -3.083 1.00 0.00 N ATOM 57 CA VAL A 5 -0.778 9.450 -4.039 1.00 0.00 C ATOM 58 C VAL A 5 -0.252 8.551 -5.159 1.00 0.00 C ATOM 59 O VAL A 5 0.694 8.912 -5.857 1.00 0.00 O ATOM 60 CB VAL A 5 -1.343 10.776 -4.552 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.404 10.540 -5.630 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.907 11.614 -3.403 1.00 0.00 C ATOM 0 H VAL A 5 0.944 10.430 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.604 8.923 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.524 11.336 -5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.789 11.499 -5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.959 10.003 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.221 9.950 -5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.302 12.551 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.706 11.062 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.115 11.827 -2.685 1.00 0.00 H new ATOM 72 N LEU A 6 -0.888 7.397 -5.295 1.00 0.00 N ATOM 73 CA LEU A 6 -0.496 6.443 -6.319 1.00 0.00 C ATOM 74 C LEU A 6 -1.394 6.619 -7.545 1.00 0.00 C ATOM 75 O LEU A 6 -2.512 6.109 -7.579 1.00 0.00 O ATOM 76 CB LEU A 6 -0.498 5.021 -5.755 1.00 0.00 C ATOM 77 CG LEU A 6 0.478 4.753 -4.607 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.075 3.500 -3.826 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.917 4.672 -5.119 1.00 0.00 C ATOM 0 H LEU A 6 -1.672 7.101 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 6 0.527 6.632 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.506 4.790 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.272 4.329 -6.567 1.00 0.00 H new ATOM 0 HG LEU A 6 0.430 5.593 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.785 3.332 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.924 3.635 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.077 2.639 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.590 4.481 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.000 3.863 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.188 5.615 -5.595 1.00 0.00 H new ATOM 91 N LYS A 7 -0.870 7.344 -8.523 1.00 0.00 N ATOM 92 CA LYS A 7 -1.610 7.594 -9.748 1.00 0.00 C ATOM 93 C LYS A 7 -2.090 6.262 -10.330 1.00 0.00 C ATOM 94 O LYS A 7 -1.329 5.299 -10.394 1.00 0.00 O ATOM 95 CB LYS A 7 -0.771 8.423 -10.722 1.00 0.00 C ATOM 96 CG LYS A 7 -0.511 9.825 -10.165 1.00 0.00 C ATOM 97 CD LYS A 7 0.983 10.155 -10.186 1.00 0.00 C ATOM 98 CE LYS A 7 1.671 9.664 -8.911 1.00 0.00 C ATOM 99 NZ LYS A 7 2.662 10.658 -8.441 1.00 0.00 N ATOM 0 H LYS A 7 0.058 7.766 -8.492 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.498 8.191 -9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.178 7.920 -10.909 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.287 8.498 -11.679 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.058 10.561 -10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.887 9.890 -9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.449 9.693 -11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.120 11.232 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.927 9.488 -8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.165 8.711 -9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.120 10.309 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.381 10.806 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.182 11.559 -8.240 1.00 0.00 H new ATOM 112 N ALA A 8 -3.350 6.252 -10.739 1.00 0.00 N ATOM 113 CA ALA A 8 -3.940 5.055 -11.313 1.00 0.00 C ATOM 114 C ALA A 8 -4.971 5.456 -12.370 1.00 0.00 C ATOM 115 O ALA A 8 -5.730 6.404 -12.174 1.00 0.00 O ATOM 116 CB ALA A 8 -4.550 4.201 -10.199 1.00 0.00 C ATOM 0 H ALA A 8 -3.978 7.054 -10.684 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.179 4.451 -11.807 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.993 3.303 -10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.772 3.918 -9.490 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.321 4.773 -9.682 1.00 0.00 H new ATOM 122 N LYS A 9 -4.965 4.715 -13.468 1.00 0.00 N ATOM 123 CA LYS A 9 -5.890 4.981 -14.557 1.00 0.00 C ATOM 124 C LYS A 9 -7.277 4.454 -14.182 1.00 0.00 C ATOM 125 O LYS A 9 -8.216 4.553 -14.971 1.00 0.00 O ATOM 126 CB LYS A 9 -5.350 4.413 -15.870 1.00 0.00 C ATOM 127 CG LYS A 9 -5.208 2.892 -15.792 1.00 0.00 C ATOM 128 CD LYS A 9 -3.750 2.467 -15.978 1.00 0.00 C ATOM 129 CE LYS A 9 -3.359 2.480 -17.458 1.00 0.00 C ATOM 130 NZ LYS A 9 -2.891 3.825 -17.859 1.00 0.00 N ATOM 0 H LYS A 9 -4.334 3.930 -13.627 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.989 6.054 -14.719 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.020 4.678 -16.688 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.382 4.861 -16.093 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.574 2.538 -14.828 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.827 2.426 -16.558 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.098 3.139 -15.420 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.604 1.468 -15.568 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.573 1.746 -17.639 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.214 2.189 -18.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.270 3.743 -18.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.710 4.421 -18.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.364 4.258 -17.074 1.00 0.00 H new ATOM 143 N ASN A 10 -7.361 3.905 -12.980 1.00 0.00 N ATOM 144 CA ASN A 10 -8.617 3.361 -12.492 1.00 0.00 C ATOM 145 C ASN A 10 -8.941 3.980 -11.130 1.00 0.00 C ATOM 146 O ASN A 10 -9.623 3.365 -10.311 1.00 0.00 O ATOM 147 CB ASN A 10 -8.529 1.844 -12.313 1.00 0.00 C ATOM 148 CG ASN A 10 -9.791 1.156 -12.836 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.217 1.356 -13.962 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.363 0.336 -11.959 1.00 0.00 N ATOM 0 H ASN A 10 -6.580 3.825 -12.329 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.391 3.593 -13.223 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.656 1.462 -12.842 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.391 1.606 -11.258 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.211 -0.171 -12.213 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.954 0.214 -11.033 1.00 0.00 H new ATOM 157 N GLY A 11 -8.435 5.188 -10.929 1.00 0.00 N ATOM 158 CA GLY A 11 -8.662 5.896 -9.681 1.00 0.00 C ATOM 159 C GLY A 11 -7.410 5.872 -8.802 1.00 0.00 C ATOM 160 O GLY A 11 -6.909 4.803 -8.458 1.00 0.00 O ATOM 0 H GLY A 11 -7.869 5.694 -11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.944 6.928 -9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.495 5.440 -9.146 1.00 0.00 H new ATOM 164 N ASP A 12 -6.940 7.064 -8.464 1.00 0.00 N ATOM 165 CA ASP A 12 -5.756 7.194 -7.632 1.00 0.00 C ATOM 166 C ASP A 12 -5.993 6.479 -6.300 1.00 0.00 C ATOM 167 O ASP A 12 -7.137 6.283 -5.892 1.00 0.00 O ATOM 168 CB ASP A 12 -5.451 8.663 -7.333 1.00 0.00 C ATOM 169 CG ASP A 12 -6.440 9.349 -6.388 1.00 0.00 C ATOM 170 OD1 ASP A 12 -6.082 9.750 -5.270 1.00 0.00 O ATOM 171 OD2 ASP A 12 -7.640 9.467 -6.846 1.00 0.00 O ATOM 0 H ASP A 12 -7.358 7.949 -8.752 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.916 6.754 -8.170 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.452 8.731 -6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.429 9.213 -8.274 1.00 0.00 H new ATOM 177 N VAL A 13 -4.894 6.110 -5.659 1.00 0.00 N ATOM 178 CA VAL A 13 -4.968 5.421 -4.382 1.00 0.00 C ATOM 179 C VAL A 13 -4.217 6.234 -3.325 1.00 0.00 C ATOM 180 O VAL A 13 -3.018 6.475 -3.459 1.00 0.00 O ATOM 181 CB VAL A 13 -4.438 3.993 -4.526 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.552 3.230 -3.204 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.161 3.251 -5.651 1.00 0.00 C ATOM 0 H VAL A 13 -3.947 6.275 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.004 5.337 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.382 4.052 -4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.169 2.218 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.971 3.742 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.597 3.185 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.765 2.239 -5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.228 3.207 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.006 3.778 -6.593 1.00 0.00 H new ATOM 193 N LYS A 14 -4.953 6.633 -2.299 1.00 0.00 N ATOM 194 CA LYS A 14 -4.372 7.414 -1.219 1.00 0.00 C ATOM 195 C LYS A 14 -3.756 6.468 -0.186 1.00 0.00 C ATOM 196 O LYS A 14 -4.475 5.781 0.537 1.00 0.00 O ATOM 197 CB LYS A 14 -5.409 8.373 -0.633 1.00 0.00 C ATOM 198 CG LYS A 14 -4.740 9.439 0.237 1.00 0.00 C ATOM 199 CD LYS A 14 -4.131 8.817 1.495 1.00 0.00 C ATOM 200 CE LYS A 14 -3.980 9.860 2.604 1.00 0.00 C ATOM 201 NZ LYS A 14 -3.794 9.199 3.915 1.00 0.00 N ATOM 0 H LYS A 14 -5.947 6.430 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.566 8.044 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.963 8.852 -1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.131 7.814 -0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.963 9.945 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.472 10.196 0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.762 8.000 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.157 8.389 1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.128 10.505 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.863 10.498 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.344 9.703 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.120 8.213 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.786 9.215 4.172 1.00 0.00 H new ATOM 214 N PHE A 15 -2.432 6.464 -0.151 1.00 0.00 N ATOM 215 CA PHE A 15 -1.711 5.614 0.781 1.00 0.00 C ATOM 216 C PHE A 15 -1.036 6.447 1.873 1.00 0.00 C ATOM 217 O PHE A 15 -0.230 7.337 1.611 1.00 0.00 O ATOM 218 CB PHE A 15 -0.635 4.880 -0.022 1.00 0.00 C ATOM 219 CG PHE A 15 0.266 3.978 0.824 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.267 2.924 1.497 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.600 4.231 0.902 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.570 2.087 2.282 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.437 3.394 1.686 1.00 0.00 C ATOM 224 CZ PHE A 15 1.904 2.339 2.360 1.00 0.00 C ATOM 0 H PHE A 15 -1.839 7.036 -0.753 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.401 4.922 1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.118 4.276 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.016 5.615 -0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.326 2.723 1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.023 5.069 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.147 1.250 2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.496 3.595 1.747 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.540 1.702 2.957 1.00 0.00 H new ATOM 234 N PRO A 16 -1.390 6.132 3.122 1.00 0.00 N ATOM 235 CA PRO A 16 -0.875 6.788 4.305 1.00 0.00 C ATOM 236 C PRO A 16 0.426 6.123 4.732 1.00 0.00 C ATOM 237 O PRO A 16 0.375 5.112 5.431 1.00 0.00 O ATOM 238 CB PRO A 16 -1.961 6.597 5.362 1.00 0.00 C ATOM 239 CG PRO A 16 -2.545 5.233 4.972 1.00 0.00 C ATOM 240 CD PRO A 16 -2.334 5.092 3.466 1.00 0.00 C ATOM 0 HA PRO A 16 -0.655 7.843 4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.552 6.592 6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.710 7.388 5.325 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.046 4.428 5.512 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.604 5.177 5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.945 4.106 3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.271 5.214 2.923 1.00 0.00 H new ATOM 248 N HIS A 17 1.548 6.690 4.313 1.00 0.00 N ATOM 249 CA HIS A 17 2.843 6.134 4.663 1.00 0.00 C ATOM 250 C HIS A 17 3.217 6.559 6.084 1.00 0.00 C ATOM 251 O HIS A 17 4.336 7.009 6.328 1.00 0.00 O ATOM 252 CB HIS A 17 3.901 6.526 3.629 1.00 0.00 C ATOM 253 CG HIS A 17 5.253 5.897 3.865 1.00 0.00 C ATOM 254 ND1 HIS A 17 6.144 6.367 4.814 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.856 4.830 3.266 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.231 5.611 4.779 1.00 0.00 C ATOM 257 NE2 HIS A 17 7.051 4.659 3.819 1.00 0.00 N ATOM 0 H HIS A 17 1.586 7.529 3.734 1.00 0.00 H new ATOM 0 HA HIS A 17 2.791 5.045 4.648 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.548 6.242 2.638 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.011 7.610 3.630 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.990 7.161 5.435 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.433 4.227 2.476 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.106 5.728 5.401 1.00 0.00 H new ATOM 265 N LYS A 18 2.259 6.402 6.986 1.00 0.00 N ATOM 266 CA LYS A 18 2.474 6.765 8.377 1.00 0.00 C ATOM 267 C LYS A 18 1.863 5.691 9.279 1.00 0.00 C ATOM 268 O LYS A 18 2.584 4.971 9.969 1.00 0.00 O ATOM 269 CB LYS A 18 1.943 8.173 8.651 1.00 0.00 C ATOM 270 CG LYS A 18 1.661 8.372 10.142 1.00 0.00 C ATOM 271 CD LYS A 18 2.169 9.734 10.619 1.00 0.00 C ATOM 272 CE LYS A 18 2.441 9.721 12.125 1.00 0.00 C ATOM 273 NZ LYS A 18 1.199 10.003 12.878 1.00 0.00 N ATOM 0 H LYS A 18 1.332 6.028 6.781 1.00 0.00 H new ATOM 0 HA LYS A 18 3.540 6.802 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.670 8.912 8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.030 8.339 8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.590 8.294 10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.141 7.579 10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.082 9.994 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.433 10.503 10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.840 8.750 12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.199 10.465 12.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.401 9.990 13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.835 10.939 12.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.487 9.278 12.657 1.00 0.00 H new ATOM 286 N ALA A 19 0.541 5.616 9.245 1.00 0.00 N ATOM 287 CA ALA A 19 -0.175 4.642 10.052 1.00 0.00 C ATOM 288 C ALA A 19 0.381 3.246 9.769 1.00 0.00 C ATOM 289 O ALA A 19 0.248 2.342 10.593 1.00 0.00 O ATOM 290 CB ALA A 19 -1.674 4.743 9.763 1.00 0.00 C ATOM 0 H ALA A 19 -0.054 6.214 8.671 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.034 4.844 11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.211 4.013 10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.025 5.746 10.008 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.855 4.543 8.707 1.00 0.00 H new ATOM 296 N HIS A 20 0.992 3.112 8.601 1.00 0.00 N ATOM 297 CA HIS A 20 1.569 1.840 8.199 1.00 0.00 C ATOM 298 C HIS A 20 2.939 1.667 8.857 1.00 0.00 C ATOM 299 O HIS A 20 3.638 0.689 8.596 1.00 0.00 O ATOM 300 CB HIS A 20 1.625 1.727 6.674 1.00 0.00 C ATOM 301 CG HIS A 20 0.301 1.380 6.035 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.641 2.335 5.696 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.227 0.174 5.677 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.685 1.721 5.159 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.427 0.382 5.149 1.00 0.00 N ATOM 0 H HIS A 20 1.100 3.863 7.920 1.00 0.00 H new ATOM 0 HA HIS A 20 0.934 1.024 8.543 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.979 2.672 6.263 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.358 0.967 6.403 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.250 -0.787 5.802 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.583 2.197 4.793 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.053 -0.341 4.794 1.00 0.00 H new ATOM 313 N GLN A 21 3.282 2.632 9.698 1.00 0.00 N ATOM 314 CA GLN A 21 4.556 2.598 10.396 1.00 0.00 C ATOM 315 C GLN A 21 4.384 1.983 11.786 1.00 0.00 C ATOM 316 O GLN A 21 5.069 1.022 12.133 1.00 0.00 O ATOM 317 CB GLN A 21 5.167 3.998 10.488 1.00 0.00 C ATOM 318 CG GLN A 21 5.520 4.534 9.099 1.00 0.00 C ATOM 319 CD GLN A 21 5.752 6.046 9.138 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.433 6.725 10.100 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.325 6.534 8.041 1.00 0.00 N ATOM 0 H GLN A 21 2.700 3.442 9.912 1.00 0.00 H new ATOM 0 HA GLN A 21 5.244 1.973 9.827 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.464 4.674 10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.063 3.968 11.109 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.415 4.034 8.729 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.715 4.304 8.401 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.567 5.910 7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.522 7.532 7.970 1.00 0.00 H new ATOM 330 N LYS A 22 3.464 2.561 12.545 1.00 0.00 N ATOM 331 CA LYS A 22 3.194 2.082 13.890 1.00 0.00 C ATOM 332 C LYS A 22 2.562 0.690 13.812 1.00 0.00 C ATOM 333 O LYS A 22 2.724 -0.120 14.723 1.00 0.00 O ATOM 334 CB LYS A 22 2.350 3.098 14.661 1.00 0.00 C ATOM 335 CG LYS A 22 0.856 2.835 14.463 1.00 0.00 C ATOM 336 CD LYS A 22 0.289 2.001 15.614 1.00 0.00 C ATOM 337 CE LYS A 22 -1.128 2.453 15.972 1.00 0.00 C ATOM 338 NZ LYS A 22 -2.054 1.298 15.981 1.00 0.00 N ATOM 0 H LYS A 22 2.896 3.357 12.254 1.00 0.00 H new ATOM 0 HA LYS A 22 4.122 1.981 14.453 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.594 3.048 15.722 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.593 4.106 14.326 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.322 3.783 14.398 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.697 2.314 13.519 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.279 0.948 15.334 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.935 2.092 16.487 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.127 2.933 16.951 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.472 3.196 15.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.011 1.622 16.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.068 0.857 15.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.734 0.602 16.684 1.00 0.00 H new ATOM 351 N ALA A 23 1.854 0.457 12.717 1.00 0.00 N ATOM 352 CA ALA A 23 1.196 -0.822 12.509 1.00 0.00 C ATOM 353 C ALA A 23 2.232 -1.856 12.061 1.00 0.00 C ATOM 354 O ALA A 23 2.091 -3.044 12.346 1.00 0.00 O ATOM 355 CB ALA A 23 0.063 -0.655 11.495 1.00 0.00 C ATOM 0 H ALA A 23 1.721 1.132 11.964 1.00 0.00 H new ATOM 0 HA ALA A 23 0.752 -1.181 13.437 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.430 -1.614 11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.660 0.068 11.873 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.471 -0.299 10.549 1.00 0.00 H new ATOM 361 N VAL A 24 3.249 -1.366 11.368 1.00 0.00 N ATOM 362 CA VAL A 24 4.307 -2.232 10.878 1.00 0.00 C ATOM 363 C VAL A 24 5.659 -1.545 11.084 1.00 0.00 C ATOM 364 O VAL A 24 6.396 -1.261 10.142 1.00 0.00 O ATOM 365 CB VAL A 24 4.043 -2.607 9.418 1.00 0.00 C ATOM 366 CG1 VAL A 24 5.125 -3.551 8.890 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.652 -3.221 9.254 1.00 0.00 C ATOM 0 H VAL A 24 3.363 -0.380 11.134 1.00 0.00 H new ATOM 0 HA VAL A 24 4.328 -3.165 11.440 1.00 0.00 H new ATOM 0 HB VAL A 24 4.078 -1.693 8.825 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.913 -3.802 7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.097 -3.063 8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.136 -4.462 9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.489 -3.479 8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.577 -4.120 9.865 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.897 -2.502 9.572 1.00 0.00 H new ATOM 377 N PRO A 25 5.971 -1.282 12.355 1.00 0.00 N ATOM 378 CA PRO A 25 7.197 -0.641 12.778 1.00 0.00 C ATOM 379 C PRO A 25 8.360 -1.164 11.948 1.00 0.00 C ATOM 380 O PRO A 25 9.341 -0.442 11.779 1.00 0.00 O ATOM 381 CB PRO A 25 7.355 -1.028 14.247 1.00 0.00 C ATOM 382 CG PRO A 25 5.886 -1.082 14.704 1.00 0.00 C ATOM 383 CD PRO A 25 5.127 -1.603 13.486 1.00 0.00 C ATOM 0 HA PRO A 25 7.176 0.441 12.649 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.859 -1.987 14.368 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.933 -0.292 14.806 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.761 -1.742 15.562 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.527 -0.098 15.004 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.954 -2.677 13.558 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.150 -1.128 13.397 1.00 0.00 H new ATOM 391 N ASP A 26 8.234 -2.387 11.454 1.00 0.00 N ATOM 392 CA ASP A 26 9.288 -2.981 10.649 1.00 0.00 C ATOM 393 C ASP A 26 9.206 -2.431 9.224 1.00 0.00 C ATOM 394 O ASP A 26 8.246 -2.700 8.504 1.00 0.00 O ATOM 395 CB ASP A 26 9.135 -4.502 10.578 1.00 0.00 C ATOM 396 CG ASP A 26 10.180 -5.217 9.718 1.00 0.00 C ATOM 397 OD1 ASP A 26 11.083 -4.583 9.152 1.00 0.00 O ATOM 398 OD2 ASP A 26 10.038 -6.497 9.641 1.00 0.00 O ATOM 0 H ASP A 26 7.418 -2.983 11.596 1.00 0.00 H new ATOM 0 HA ASP A 26 10.244 -2.735 11.110 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.182 -4.905 11.590 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.144 -4.735 10.188 1.00 0.00 H new ATOM 404 N CYS A 27 10.227 -1.670 8.858 1.00 0.00 N ATOM 405 CA CYS A 27 10.284 -1.079 7.532 1.00 0.00 C ATOM 406 C CYS A 27 10.870 -2.114 6.570 1.00 0.00 C ATOM 407 O CYS A 27 10.770 -1.962 5.353 1.00 0.00 O ATOM 408 CB CYS A 27 11.085 0.224 7.526 1.00 0.00 C ATOM 409 SG CYS A 27 10.913 1.238 9.040 1.00 0.00 S ATOM 0 H CYS A 27 11.022 -1.449 9.457 1.00 0.00 H new ATOM 0 HA CYS A 27 9.279 -0.811 7.208 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.139 -0.015 7.383 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.774 0.821 6.669 1.00 0.00 H new ATOM 0 HG CYS A 27 10.238 0.575 9.932 1.00 0.00 H new ATOM 414 N LYS A 28 11.469 -3.143 7.151 1.00 0.00 N ATOM 415 CA LYS A 28 12.071 -4.202 6.360 1.00 0.00 C ATOM 416 C LYS A 28 10.972 -5.131 5.838 1.00 0.00 C ATOM 417 O LYS A 28 11.248 -6.058 5.079 1.00 0.00 O ATOM 418 CB LYS A 28 13.154 -4.923 7.166 1.00 0.00 C ATOM 419 CG LYS A 28 14.157 -3.927 7.751 1.00 0.00 C ATOM 420 CD LYS A 28 15.593 -4.412 7.549 1.00 0.00 C ATOM 421 CE LYS A 28 16.339 -4.487 8.883 1.00 0.00 C ATOM 422 NZ LYS A 28 17.104 -5.751 8.979 1.00 0.00 N ATOM 0 H LYS A 28 11.550 -3.266 8.160 1.00 0.00 H new ATOM 0 HA LYS A 28 12.578 -3.786 5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.693 -5.495 7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.675 -5.635 6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.028 -2.954 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.962 -3.791 8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.586 -5.394 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.117 -3.737 6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.016 -3.638 8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.629 -4.421 9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.604 -5.786 9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.451 -6.558 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.795 -5.799 8.203 1.00 0.00 H new ATOM 435 N LYS A 29 9.751 -4.848 6.266 1.00 0.00 N ATOM 436 CA LYS A 29 8.609 -5.647 5.852 1.00 0.00 C ATOM 437 C LYS A 29 8.343 -5.413 4.363 1.00 0.00 C ATOM 438 O LYS A 29 8.223 -6.366 3.594 1.00 0.00 O ATOM 439 CB LYS A 29 7.401 -5.358 6.745 1.00 0.00 C ATOM 440 CG LYS A 29 7.288 -6.394 7.866 1.00 0.00 C ATOM 441 CD LYS A 29 6.798 -7.738 7.323 1.00 0.00 C ATOM 442 CE LYS A 29 5.513 -8.177 8.027 1.00 0.00 C ATOM 443 NZ LYS A 29 5.781 -8.494 9.447 1.00 0.00 N ATOM 0 H LYS A 29 9.527 -4.077 6.895 1.00 0.00 H new ATOM 0 HA LYS A 29 8.821 -6.709 5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.492 -4.360 7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.491 -5.365 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.258 -6.523 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.600 -6.034 8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.620 -7.658 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.570 -8.494 7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.766 -7.386 7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.097 -9.051 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.950 -8.964 9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.604 -9.126 9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.977 -7.615 9.968 1.00 0.00 H new ATOM 456 N CYS A 30 8.259 -4.142 4.002 1.00 0.00 N ATOM 457 CA CYS A 30 8.009 -3.771 2.619 1.00 0.00 C ATOM 458 C CYS A 30 9.353 -3.466 1.954 1.00 0.00 C ATOM 459 O CYS A 30 9.673 -4.027 0.907 1.00 0.00 O ATOM 460 CB CYS A 30 7.040 -2.592 2.516 1.00 0.00 C ATOM 461 SG CYS A 30 5.630 -2.839 3.656 1.00 0.00 S ATOM 0 H CYS A 30 8.360 -3.355 4.643 1.00 0.00 H new ATOM 0 HA CYS A 30 7.527 -4.598 2.099 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.557 -1.664 2.759 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.678 -2.496 1.492 1.00 0.00 H new ATOM 0 HG CYS A 30 4.814 -1.831 3.562 1.00 0.00 H new ATOM 466 N HIS A 31 10.103 -2.577 2.588 1.00 0.00 N ATOM 467 CA HIS A 31 11.404 -2.190 2.071 1.00 0.00 C ATOM 468 C HIS A 31 12.397 -3.338 2.267 1.00 0.00 C ATOM 469 O HIS A 31 12.847 -3.590 3.384 1.00 0.00 O ATOM 470 CB HIS A 31 11.876 -0.883 2.710 1.00 0.00 C ATOM 471 CG HIS A 31 10.960 0.290 2.456 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.717 0.792 1.189 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.230 1.054 3.319 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.878 1.812 1.297 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.578 1.973 2.618 1.00 0.00 N ATOM 0 H HIS A 31 9.834 -2.113 3.456 1.00 0.00 H new ATOM 0 HA HIS A 31 11.331 -1.998 1.001 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.971 -1.030 3.786 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.870 -0.644 2.332 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.190 0.932 4.391 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.498 2.411 0.482 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.955 2.683 3.003 1.00 0.00 H new ATOM 483 N GLU A 32 12.708 -4.004 1.165 1.00 0.00 N ATOM 484 CA GLU A 32 13.639 -5.119 1.202 1.00 0.00 C ATOM 485 C GLU A 32 15.078 -4.613 1.090 1.00 0.00 C ATOM 486 O GLU A 32 15.937 -4.993 1.884 1.00 0.00 O ATOM 487 CB GLU A 32 13.326 -6.131 0.098 1.00 0.00 C ATOM 488 CG GLU A 32 12.452 -7.269 0.628 1.00 0.00 C ATOM 489 CD GLU A 32 13.249 -8.571 0.731 1.00 0.00 C ATOM 490 OE1 GLU A 32 13.272 -9.360 -0.225 1.00 0.00 O ATOM 491 OE2 GLU A 32 13.860 -8.749 1.853 1.00 0.00 O ATOM 0 H GLU A 32 12.332 -3.793 0.241 1.00 0.00 H new ATOM 0 HA GLU A 32 13.528 -5.629 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.817 -5.630 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.255 -6.537 -0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.056 -7.002 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.597 -7.413 -0.032 1.00 0.00 H new ATOM 499 N LYS A 33 15.298 -3.763 0.097 1.00 0.00 N ATOM 500 CA LYS A 33 16.618 -3.201 -0.129 1.00 0.00 C ATOM 501 C LYS A 33 16.739 -1.875 0.623 1.00 0.00 C ATOM 502 O LYS A 33 17.451 -0.972 0.186 1.00 0.00 O ATOM 503 CB LYS A 33 16.903 -3.086 -1.628 1.00 0.00 C ATOM 504 CG LYS A 33 16.907 -4.465 -2.292 1.00 0.00 C ATOM 505 CD LYS A 33 18.109 -4.619 -3.226 1.00 0.00 C ATOM 506 CE LYS A 33 18.706 -6.025 -3.124 1.00 0.00 C ATOM 507 NZ LYS A 33 18.847 -6.627 -4.468 1.00 0.00 N ATOM 0 H LYS A 33 14.583 -3.450 -0.560 1.00 0.00 H new ATOM 0 HA LYS A 33 17.387 -3.864 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.149 -2.454 -2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.867 -2.601 -1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.934 -5.241 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.984 -4.604 -2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.803 -4.424 -4.254 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.868 -3.879 -2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.680 -5.979 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.068 -6.653 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.253 -7.580 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.913 -6.689 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.474 -6.035 -5.049 1.00 0.00 H new ATOM 520 N GLY A 34 16.032 -1.799 1.742 1.00 0.00 N ATOM 521 CA GLY A 34 16.051 -0.597 2.559 1.00 0.00 C ATOM 522 C GLY A 34 15.004 0.409 2.078 1.00 0.00 C ATOM 523 O GLY A 34 14.407 0.271 1.013 1.00 0.00 O ATOM 0 H GLY A 34 15.443 -2.550 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.859 -0.857 3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.041 -0.143 2.521 1.00 0.00 H new ATOM 527 N PRO A 35 14.793 1.440 2.900 1.00 0.00 N ATOM 528 CA PRO A 35 13.851 2.508 2.644 1.00 0.00 C ATOM 529 C PRO A 35 14.114 3.102 1.268 1.00 0.00 C ATOM 530 O PRO A 35 15.278 3.235 0.891 1.00 0.00 O ATOM 531 CB PRO A 35 14.114 3.535 3.743 1.00 0.00 C ATOM 532 CG PRO A 35 15.531 3.147 4.351 1.00 0.00 C ATOM 533 CD PRO A 35 15.478 1.633 4.160 1.00 0.00 C ATOM 0 HA PRO A 35 12.815 2.170 2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.123 4.548 3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.336 3.502 4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.359 3.609 3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.631 3.434 5.398 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.479 1.203 4.135 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.944 1.150 4.978 1.00 0.00 H new ATOM 541 N GLY A 36 13.051 3.441 0.554 1.00 0.00 N ATOM 542 CA GLY A 36 13.193 4.015 -0.774 1.00 0.00 C ATOM 543 C GLY A 36 12.143 3.448 -1.731 1.00 0.00 C ATOM 544 O GLY A 36 11.321 2.621 -1.339 1.00 0.00 O ATOM 0 H GLY A 36 12.087 3.329 0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.092 5.099 -0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.191 3.807 -1.159 1.00 0.00 H new ATOM 548 N LYS A 37 12.205 3.914 -2.970 1.00 0.00 N ATOM 549 CA LYS A 37 11.270 3.464 -3.987 1.00 0.00 C ATOM 550 C LYS A 37 11.379 1.945 -4.136 1.00 0.00 C ATOM 551 O LYS A 37 12.437 1.368 -3.891 1.00 0.00 O ATOM 552 CB LYS A 37 11.491 4.228 -5.294 1.00 0.00 C ATOM 553 CG LYS A 37 10.727 5.554 -5.290 1.00 0.00 C ATOM 554 CD LYS A 37 11.680 6.735 -5.102 1.00 0.00 C ATOM 555 CE LYS A 37 11.679 7.642 -6.334 1.00 0.00 C ATOM 556 NZ LYS A 37 12.043 9.027 -5.959 1.00 0.00 N ATOM 0 H LYS A 37 12.889 4.599 -3.292 1.00 0.00 H new ATOM 0 HA LYS A 37 10.245 3.683 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.555 4.418 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.163 3.618 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.183 5.667 -6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.986 5.549 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.385 7.309 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.689 6.367 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.384 7.262 -7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.693 7.632 -6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.037 9.629 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.355 9.392 -5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.993 9.034 -5.536 1.00 0.00 H new ATOM 569 N ILE A 38 10.270 1.341 -4.539 1.00 0.00 N ATOM 570 CA ILE A 38 10.228 -0.100 -4.724 1.00 0.00 C ATOM 571 C ILE A 38 10.177 -0.416 -6.220 1.00 0.00 C ATOM 572 O ILE A 38 9.235 -0.025 -6.909 1.00 0.00 O ATOM 573 CB ILE A 38 9.073 -0.708 -3.927 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.182 -0.351 -2.443 1.00 0.00 C ATOM 575 CG2 ILE A 38 8.991 -2.220 -4.148 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.897 -0.715 -1.695 1.00 0.00 C ATOM 0 H ILE A 38 9.394 1.823 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 38 11.134 -0.562 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 38 8.141 -0.277 -4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.027 -0.878 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.380 0.715 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.162 -2.628 -3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.831 -2.425 -5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.922 -2.686 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.001 -0.451 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.058 -0.168 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.715 -1.786 -1.784 1.00 0.00 H new ATOM 588 N GLU A 39 11.200 -1.120 -6.679 1.00 0.00 N ATOM 589 CA GLU A 39 11.284 -1.494 -8.080 1.00 0.00 C ATOM 590 C GLU A 39 10.465 -2.759 -8.342 1.00 0.00 C ATOM 591 O GLU A 39 10.578 -3.740 -7.608 1.00 0.00 O ATOM 592 CB GLU A 39 12.739 -1.683 -8.512 1.00 0.00 C ATOM 593 CG GLU A 39 13.426 -0.334 -8.732 1.00 0.00 C ATOM 594 CD GLU A 39 13.396 0.512 -7.457 1.00 0.00 C ATOM 595 OE1 GLU A 39 13.971 0.112 -6.434 1.00 0.00 O ATOM 596 OE2 GLU A 39 12.745 1.621 -7.555 1.00 0.00 O ATOM 0 H GLU A 39 11.979 -1.442 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 39 10.865 -0.684 -8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.277 -2.249 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.776 -2.268 -9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.459 -0.494 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.930 0.203 -9.541 1.00 0.00 H new ATOM 604 N GLY A 40 9.658 -2.697 -9.392 1.00 0.00 N ATOM 605 CA GLY A 40 8.820 -3.826 -9.759 1.00 0.00 C ATOM 606 C GLY A 40 7.359 -3.568 -9.388 1.00 0.00 C ATOM 607 O GLY A 40 6.452 -3.921 -10.141 1.00 0.00 O ATOM 0 H GLY A 40 9.567 -1.883 -10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.900 -4.009 -10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.174 -4.725 -9.254 1.00 0.00 H new ATOM 611 N PHE A 41 7.175 -2.955 -8.228 1.00 0.00 N ATOM 612 CA PHE A 41 5.839 -2.646 -7.748 1.00 0.00 C ATOM 613 C PHE A 41 4.901 -2.317 -8.911 1.00 0.00 C ATOM 614 O PHE A 41 5.338 -1.805 -9.941 1.00 0.00 O ATOM 615 CB PHE A 41 5.962 -1.417 -6.845 1.00 0.00 C ATOM 616 CG PHE A 41 4.657 -1.023 -6.150 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.194 -1.760 -5.104 1.00 0.00 C ATOM 618 CD2 PHE A 41 3.960 0.064 -6.577 1.00 0.00 C ATOM 619 CE1 PHE A 41 2.982 -1.394 -4.460 1.00 0.00 C ATOM 620 CE2 PHE A 41 2.749 0.430 -5.932 1.00 0.00 C ATOM 621 CZ PHE A 41 2.286 -0.307 -4.887 1.00 0.00 C ATOM 0 H PHE A 41 7.929 -2.664 -7.606 1.00 0.00 H new ATOM 0 HA PHE A 41 5.427 -3.503 -7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.721 -1.610 -6.087 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.313 -0.575 -7.441 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.748 -2.623 -4.764 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.328 0.649 -7.407 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.613 -1.979 -3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.196 1.293 -6.271 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.365 -0.029 -4.396 1.00 0.00 H new ATOM 631 N GLY A 42 3.628 -2.625 -8.708 1.00 0.00 N ATOM 632 CA GLY A 42 2.625 -2.368 -9.727 1.00 0.00 C ATOM 633 C GLY A 42 1.255 -2.893 -9.292 1.00 0.00 C ATOM 634 O GLY A 42 1.013 -3.094 -8.103 1.00 0.00 O ATOM 0 H GLY A 42 3.269 -3.050 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.564 -1.297 -9.920 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.921 -2.844 -10.662 1.00 0.00 H new ATOM 638 N LYS A 43 0.395 -3.100 -10.278 1.00 0.00 N ATOM 639 CA LYS A 43 -0.944 -3.598 -10.012 1.00 0.00 C ATOM 640 C LYS A 43 -0.849 -4.943 -9.289 1.00 0.00 C ATOM 641 O LYS A 43 -1.033 -5.014 -8.075 1.00 0.00 O ATOM 642 CB LYS A 43 -1.762 -3.650 -11.304 1.00 0.00 C ATOM 643 CG LYS A 43 -3.259 -3.750 -11.000 1.00 0.00 C ATOM 644 CD LYS A 43 -3.948 -4.727 -11.955 1.00 0.00 C ATOM 645 CE LYS A 43 -5.168 -4.081 -12.615 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.670 -4.930 -13.718 1.00 0.00 N ATOM 0 H LYS A 43 0.599 -2.932 -11.263 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.480 -2.918 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.567 -2.758 -11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.450 -4.506 -11.902 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.404 -4.079 -9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.718 -2.765 -11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.243 -5.049 -12.722 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.255 -5.619 -11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.954 -3.934 -11.875 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.903 -3.096 -12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.498 -4.477 -14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.923 -5.049 -14.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.942 -5.861 -13.343 1.00 0.00 H new ATOM 659 N GLU A 44 -0.562 -5.977 -10.066 1.00 0.00 N ATOM 660 CA GLU A 44 -0.440 -7.316 -9.515 1.00 0.00 C ATOM 661 C GLU A 44 0.172 -7.260 -8.114 1.00 0.00 C ATOM 662 O GLU A 44 -0.207 -8.033 -7.236 1.00 0.00 O ATOM 663 CB GLU A 44 0.384 -8.216 -10.438 1.00 0.00 C ATOM 664 CG GLU A 44 -0.452 -8.696 -11.626 1.00 0.00 C ATOM 665 CD GLU A 44 -1.617 -7.741 -11.898 1.00 0.00 C ATOM 666 OE1 GLU A 44 -1.406 -6.641 -12.428 1.00 0.00 O ATOM 667 OE2 GLU A 44 -2.776 -8.179 -11.537 1.00 0.00 O ATOM 0 H GLU A 44 -0.410 -5.915 -11.073 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.438 -7.748 -9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.256 -7.671 -10.799 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.754 -9.075 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.178 -8.769 -12.513 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.836 -9.696 -11.425 1.00 0.00 H new ATOM 675 N MET A 45 1.108 -6.338 -7.949 1.00 0.00 N ATOM 676 CA MET A 45 1.776 -6.170 -6.669 1.00 0.00 C ATOM 677 C MET A 45 0.826 -5.576 -5.628 1.00 0.00 C ATOM 678 O MET A 45 0.615 -6.163 -4.568 1.00 0.00 O ATOM 679 CB MET A 45 2.987 -5.250 -6.841 1.00 0.00 C ATOM 680 CG MET A 45 4.208 -5.807 -6.107 1.00 0.00 C ATOM 681 SD MET A 45 4.035 -5.547 -4.350 1.00 0.00 S ATOM 682 CE MET A 45 5.552 -6.292 -3.775 1.00 0.00 C ATOM 0 H MET A 45 1.420 -5.699 -8.680 1.00 0.00 H new ATOM 0 HA MET A 45 2.101 -7.150 -6.319 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.215 -5.138 -7.901 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.751 -4.257 -6.459 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.314 -6.871 -6.317 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.113 -5.319 -6.468 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.606 -6.216 -2.689 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.575 -7.342 -4.067 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.403 -5.773 -4.218 1.00 0.00 H new ATOM 692 N ALA A 46 0.279 -4.418 -5.966 1.00 0.00 N ATOM 693 CA ALA A 46 -0.644 -3.737 -5.074 1.00 0.00 C ATOM 694 C ALA A 46 -1.751 -4.707 -4.656 1.00 0.00 C ATOM 695 O ALA A 46 -2.018 -4.875 -3.467 1.00 0.00 O ATOM 696 CB ALA A 46 -1.194 -2.487 -5.764 1.00 0.00 C ATOM 0 H ALA A 46 0.457 -3.934 -6.846 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.132 -3.410 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.886 -1.977 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.371 -1.818 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.717 -2.775 -6.676 1.00 0.00 H new ATOM 702 N HIS A 47 -2.366 -5.319 -5.657 1.00 0.00 N ATOM 703 CA HIS A 47 -3.439 -6.267 -5.408 1.00 0.00 C ATOM 704 C HIS A 47 -2.862 -7.544 -4.793 1.00 0.00 C ATOM 705 O HIS A 47 -3.507 -8.184 -3.963 1.00 0.00 O ATOM 706 CB HIS A 47 -4.237 -6.533 -6.686 1.00 0.00 C ATOM 707 CG HIS A 47 -4.804 -5.288 -7.326 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.999 -5.169 -8.690 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.216 -4.111 -6.773 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.506 -3.970 -8.937 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.639 -3.316 -7.748 1.00 0.00 N ATOM 0 H HIS A 47 -2.142 -5.177 -6.642 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.143 -5.845 -4.691 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.593 -7.038 -7.406 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.055 -7.216 -6.456 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.201 -3.868 -5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.768 -3.579 -9.909 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.004 -2.371 -7.628 1.00 0.00 H new ATOM 719 N GLY A 48 -1.655 -7.877 -5.224 1.00 0.00 N ATOM 720 CA GLY A 48 -0.984 -9.066 -4.726 1.00 0.00 C ATOM 721 C GLY A 48 -0.492 -8.859 -3.292 1.00 0.00 C ATOM 722 O GLY A 48 -1.232 -8.361 -2.444 1.00 0.00 O ATOM 0 H GLY A 48 -1.124 -7.344 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.667 -9.915 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.140 -9.309 -5.372 1.00 0.00 H new ATOM 726 N LYS A 49 0.753 -9.250 -3.065 1.00 0.00 N ATOM 727 CA LYS A 49 1.352 -9.113 -1.748 1.00 0.00 C ATOM 728 C LYS A 49 1.984 -7.726 -1.622 1.00 0.00 C ATOM 729 O LYS A 49 3.046 -7.576 -1.020 1.00 0.00 O ATOM 730 CB LYS A 49 2.329 -10.260 -1.482 1.00 0.00 C ATOM 731 CG LYS A 49 1.594 -11.600 -1.406 1.00 0.00 C ATOM 732 CD LYS A 49 2.583 -12.766 -1.349 1.00 0.00 C ATOM 733 CE LYS A 49 1.944 -14.054 -1.872 1.00 0.00 C ATOM 734 NZ LYS A 49 2.176 -14.193 -3.327 1.00 0.00 N ATOM 0 H LYS A 49 1.364 -9.662 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 49 0.589 -9.188 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.077 -10.296 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.861 -10.080 -0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.954 -11.618 -0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.944 -11.712 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.466 -12.528 -1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.918 -12.913 -0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.362 -14.913 -1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.873 -14.045 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.736 -15.072 -3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.757 -13.382 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.199 -14.223 -3.514 1.00 0.00 H new ATOM 747 N GLY A 50 1.304 -6.746 -2.199 1.00 0.00 N ATOM 748 CA GLY A 50 1.785 -5.376 -2.158 1.00 0.00 C ATOM 749 C GLY A 50 0.943 -4.527 -1.204 1.00 0.00 C ATOM 750 O GLY A 50 1.479 -3.878 -0.307 1.00 0.00 O ATOM 0 H GLY A 50 0.423 -6.874 -2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.827 -5.362 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.752 -4.945 -3.159 1.00 0.00 H new ATOM 754 N CYS A 51 -0.362 -4.558 -1.430 1.00 0.00 N ATOM 755 CA CYS A 51 -1.284 -3.800 -0.601 1.00 0.00 C ATOM 756 C CYS A 51 -2.349 -4.759 -0.065 1.00 0.00 C ATOM 757 O CYS A 51 -2.222 -5.275 1.044 1.00 0.00 O ATOM 758 CB CYS A 51 -1.903 -2.630 -1.369 1.00 0.00 C ATOM 759 SG CYS A 51 -0.701 -1.399 -1.993 1.00 0.00 S ATOM 0 H CYS A 51 -0.803 -5.096 -2.176 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.744 -3.356 0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.467 -3.026 -2.213 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.616 -2.123 -0.718 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.334 -0.457 -2.627 1.00 0.00 H new ATOM 764 N LYS A 52 -3.374 -4.968 -0.878 1.00 0.00 N ATOM 765 CA LYS A 52 -4.460 -5.856 -0.499 1.00 0.00 C ATOM 766 C LYS A 52 -3.883 -7.102 0.175 1.00 0.00 C ATOM 767 O LYS A 52 -4.331 -7.494 1.251 1.00 0.00 O ATOM 768 CB LYS A 52 -5.346 -6.164 -1.708 1.00 0.00 C ATOM 769 CG LYS A 52 -6.355 -5.040 -1.950 1.00 0.00 C ATOM 770 CD LYS A 52 -7.756 -5.603 -2.193 1.00 0.00 C ATOM 771 CE LYS A 52 -7.877 -6.181 -3.605 1.00 0.00 C ATOM 772 NZ LYS A 52 -8.392 -7.568 -3.555 1.00 0.00 N ATOM 0 H LYS A 52 -3.475 -4.538 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.111 -5.373 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.725 -6.297 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.875 -7.103 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.372 -4.371 -1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.044 -4.446 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.972 -6.379 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.497 -4.816 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.545 -5.560 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.904 -6.166 -4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.468 -7.945 -4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.740 -8.161 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.330 -7.574 -3.106 1.00 0.00 H new ATOM 785 N GLY A 53 -2.897 -7.691 -0.487 1.00 0.00 N ATOM 786 CA GLY A 53 -2.254 -8.885 0.034 1.00 0.00 C ATOM 787 C GLY A 53 -2.234 -8.873 1.564 1.00 0.00 C ATOM 788 O GLY A 53 -2.932 -9.657 2.204 1.00 0.00 O ATOM 0 H GLY A 53 -2.528 -7.363 -1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.782 -9.771 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.234 -8.949 -0.346 1.00 0.00 H new ATOM 792 N CYS A 54 -1.425 -7.974 2.106 1.00 0.00 N ATOM 793 CA CYS A 54 -1.305 -7.850 3.549 1.00 0.00 C ATOM 794 C CYS A 54 -2.705 -7.653 4.133 1.00 0.00 C ATOM 795 O CYS A 54 -3.064 -8.289 5.123 1.00 0.00 O ATOM 796 CB CYS A 54 -0.358 -6.714 3.942 1.00 0.00 C ATOM 797 SG CYS A 54 -0.062 -6.742 5.747 1.00 0.00 S ATOM 0 H CYS A 54 -0.847 -7.325 1.572 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.866 -8.760 3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.587 -6.816 3.409 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.786 -5.755 3.650 1.00 0.00 H new ATOM 0 HG CYS A 54 0.745 -5.775 6.070 1.00 0.00 H new ATOM 802 N HIS A 55 -3.459 -6.769 3.495 1.00 0.00 N ATOM 803 CA HIS A 55 -4.812 -6.481 3.939 1.00 0.00 C ATOM 804 C HIS A 55 -5.594 -7.788 4.085 1.00 0.00 C ATOM 805 O HIS A 55 -5.897 -8.213 5.199 1.00 0.00 O ATOM 806 CB HIS A 55 -5.492 -5.485 2.997 1.00 0.00 C ATOM 807 CG HIS A 55 -4.950 -4.080 3.094 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.477 -3.022 2.374 1.00 0.00 N ATOM 809 CD2 HIS A 55 -3.924 -3.569 3.833 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.791 -1.929 2.674 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.829 -2.270 3.578 1.00 0.00 N ATOM 0 H HIS A 55 -3.158 -6.243 2.674 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.783 -6.004 4.919 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.380 -5.836 1.971 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.560 -5.467 3.213 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.260 -3.075 1.723 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.295 -4.127 4.511 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.964 -0.941 2.273 1.00 0.00 H new ATOM 819 N GLU A 56 -5.898 -8.389 2.944 1.00 0.00 N ATOM 820 CA GLU A 56 -6.638 -9.639 2.931 1.00 0.00 C ATOM 821 C GLU A 56 -5.895 -10.705 3.739 1.00 0.00 C ATOM 822 O GLU A 56 -6.501 -11.667 4.209 1.00 0.00 O ATOM 823 CB GLU A 56 -6.889 -10.113 1.498 1.00 0.00 C ATOM 824 CG GLU A 56 -5.741 -9.699 0.575 1.00 0.00 C ATOM 825 CD GLU A 56 -5.633 -10.644 -0.623 1.00 0.00 C ATOM 826 OE1 GLU A 56 -6.278 -10.412 -1.656 1.00 0.00 O ATOM 827 OE2 GLU A 56 -4.844 -11.651 -0.455 1.00 0.00 O ATOM 0 H GLU A 56 -5.645 -8.033 2.022 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.608 -9.469 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.999 -11.197 1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.825 -9.693 1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.901 -8.679 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.803 -9.702 1.131 1.00 0.00 H new ATOM 835 N GLU A 57 -4.594 -10.498 3.875 1.00 0.00 N ATOM 836 CA GLU A 57 -3.761 -11.429 4.617 1.00 0.00 C ATOM 837 C GLU A 57 -4.113 -11.384 6.106 1.00 0.00 C ATOM 838 O GLU A 57 -4.427 -12.412 6.704 1.00 0.00 O ATOM 839 CB GLU A 57 -2.276 -11.135 4.396 1.00 0.00 C ATOM 840 CG GLU A 57 -1.401 -12.078 5.223 1.00 0.00 C ATOM 841 CD GLU A 57 -0.033 -11.452 5.503 1.00 0.00 C ATOM 842 OE1 GLU A 57 0.589 -10.887 4.591 1.00 0.00 O ATOM 843 OE2 GLU A 57 0.379 -11.566 6.720 1.00 0.00 O ATOM 0 H GLU A 57 -4.096 -9.699 3.484 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.956 -12.435 4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.034 -11.242 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.062 -10.102 4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.899 -12.309 6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.272 -13.020 4.691 1.00 0.00 H new ATOM 851 N MET A 58 -4.048 -10.183 6.660 1.00 0.00 N ATOM 852 CA MET A 58 -4.356 -9.991 8.067 1.00 0.00 C ATOM 853 C MET A 58 -5.862 -9.825 8.282 1.00 0.00 C ATOM 854 O MET A 58 -6.333 -9.810 9.418 1.00 0.00 O ATOM 855 CB MET A 58 -3.626 -8.750 8.585 1.00 0.00 C ATOM 856 CG MET A 58 -2.110 -8.928 8.495 1.00 0.00 C ATOM 857 SD MET A 58 -1.441 -9.293 10.110 1.00 0.00 S ATOM 858 CE MET A 58 -1.546 -7.678 10.861 1.00 0.00 C ATOM 0 H MET A 58 -3.787 -9.333 6.160 1.00 0.00 H new ATOM 0 HA MET A 58 -4.025 -10.873 8.615 1.00 0.00 H new ATOM 0 HB2 MET A 58 -3.928 -7.878 8.006 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.913 -8.560 9.619 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.871 -9.735 7.802 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.652 -8.022 8.099 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.645 -7.489 11.445 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.640 -6.920 10.083 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.417 -7.637 11.515 1.00 0.00 H new ATOM 868 N LYS A 59 -6.575 -9.704 7.172 1.00 0.00 N ATOM 869 CA LYS A 59 -8.018 -9.540 7.224 1.00 0.00 C ATOM 870 C LYS A 59 -8.349 -8.126 7.705 1.00 0.00 C ATOM 871 O LYS A 59 -9.483 -7.847 8.092 1.00 0.00 O ATOM 872 CB LYS A 59 -8.653 -10.643 8.074 1.00 0.00 C ATOM 873 CG LYS A 59 -9.388 -11.657 7.196 1.00 0.00 C ATOM 874 CD LYS A 59 -10.592 -11.013 6.505 1.00 0.00 C ATOM 875 CE LYS A 59 -11.865 -11.826 6.752 1.00 0.00 C ATOM 876 NZ LYS A 59 -12.655 -11.230 7.852 1.00 0.00 N ATOM 0 H LYS A 59 -6.181 -9.716 6.231 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.450 -9.648 6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.882 -11.150 8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.349 -10.202 8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.705 -12.057 6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.720 -12.497 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.728 -9.997 6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.405 -10.940 5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.465 -11.859 5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.604 -12.855 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.515 -11.794 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.086 -11.221 8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.920 -10.256 7.601 1.00 0.00 H new ATOM 889 N LYS A 60 -7.338 -7.270 7.665 1.00 0.00 N ATOM 890 CA LYS A 60 -7.508 -5.891 8.091 1.00 0.00 C ATOM 891 C LYS A 60 -7.158 -4.957 6.932 1.00 0.00 C ATOM 892 O LYS A 60 -6.262 -5.249 6.142 1.00 0.00 O ATOM 893 CB LYS A 60 -6.701 -5.621 9.363 1.00 0.00 C ATOM 894 CG LYS A 60 -7.100 -6.587 10.481 1.00 0.00 C ATOM 895 CD LYS A 60 -8.312 -6.062 11.253 1.00 0.00 C ATOM 896 CE LYS A 60 -9.577 -6.838 10.882 1.00 0.00 C ATOM 897 NZ LYS A 60 -10.672 -6.525 11.826 1.00 0.00 N ATOM 0 H LYS A 60 -6.399 -7.505 7.344 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.548 -5.698 8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.637 -5.724 9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.863 -4.594 9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.330 -7.564 10.057 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.262 -6.725 11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.130 -6.147 12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.454 -5.003 11.037 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.881 -6.585 9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.371 -7.908 10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.523 -7.060 11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.385 -6.788 12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.879 -5.506 11.792 1.00 0.00 H new ATOM 910 N GLY A 61 -7.885 -3.850 6.866 1.00 0.00 N ATOM 911 CA GLY A 61 -7.663 -2.871 5.816 1.00 0.00 C ATOM 912 C GLY A 61 -8.663 -3.056 4.673 1.00 0.00 C ATOM 913 O GLY A 61 -9.346 -4.071 4.562 1.00 0.00 O ATOM 0 H GLY A 61 -8.628 -3.610 7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.756 -1.865 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.647 -2.967 5.434 1.00 0.00 H new ATOM 917 N PRO A 62 -8.734 -2.036 3.815 1.00 0.00 N ATOM 918 CA PRO A 62 -9.609 -1.999 2.662 1.00 0.00 C ATOM 919 C PRO A 62 -9.166 -3.046 1.651 1.00 0.00 C ATOM 920 O PRO A 62 -8.014 -3.008 1.222 1.00 0.00 O ATOM 921 CB PRO A 62 -9.451 -0.590 2.096 1.00 0.00 C ATOM 922 CG PRO A 62 -8.108 -0.137 2.563 1.00 0.00 C ATOM 923 CD PRO A 62 -7.946 -0.827 3.916 1.00 0.00 C ATOM 0 HA PRO A 62 -10.648 -2.217 2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.511 -0.592 1.008 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.239 0.071 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.322 -0.430 1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.062 0.948 2.658 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.900 -1.054 4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.300 -0.192 4.728 1.00 0.00 H new ATOM 931 N THR A 63 -10.069 -3.948 1.295 1.00 0.00 N ATOM 932 CA THR A 63 -9.748 -4.992 0.337 1.00 0.00 C ATOM 933 C THR A 63 -10.714 -4.944 -0.848 1.00 0.00 C ATOM 934 O THR A 63 -10.520 -5.645 -1.840 1.00 0.00 O ATOM 935 CB THR A 63 -9.758 -6.331 1.076 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.102 -6.466 1.532 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.930 -6.297 2.362 1.00 0.00 C ATOM 0 H THR A 63 -11.024 -3.977 1.653 1.00 0.00 H new ATOM 0 HA THR A 63 -8.755 -4.847 -0.088 1.00 0.00 H new ATOM 0 HB THR A 63 -9.374 -7.111 0.418 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.198 -7.310 2.021 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.971 -7.272 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.895 -6.054 2.122 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.333 -5.540 3.035 1.00 0.00 H new ATOM 945 N LYS A 64 -11.734 -4.111 -0.706 1.00 0.00 N ATOM 946 CA LYS A 64 -12.731 -3.963 -1.752 1.00 0.00 C ATOM 947 C LYS A 64 -12.365 -2.767 -2.634 1.00 0.00 C ATOM 948 O LYS A 64 -11.666 -1.857 -2.193 1.00 0.00 O ATOM 949 CB LYS A 64 -14.134 -3.874 -1.148 1.00 0.00 C ATOM 950 CG LYS A 64 -14.415 -5.072 -0.238 1.00 0.00 C ATOM 951 CD LYS A 64 -15.484 -5.983 -0.846 1.00 0.00 C ATOM 952 CE LYS A 64 -14.968 -7.417 -0.982 1.00 0.00 C ATOM 953 NZ LYS A 64 -13.952 -7.503 -2.055 1.00 0.00 N ATOM 0 H LYS A 64 -11.892 -3.531 0.118 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.741 -4.843 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.231 -2.949 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.876 -3.837 -1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.496 -5.637 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.744 -4.721 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.376 -5.971 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.777 -5.603 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.536 -7.745 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.797 -8.089 -1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.637 -8.489 -2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.366 -7.177 -2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.138 -6.903 -1.811 1.00 0.00 H new ATOM 966 N CYS A 65 -12.855 -2.808 -3.865 1.00 0.00 N ATOM 967 CA CYS A 65 -12.588 -1.740 -4.812 1.00 0.00 C ATOM 968 C CYS A 65 -13.339 -0.489 -4.350 1.00 0.00 C ATOM 969 O CYS A 65 -14.314 -0.586 -3.607 1.00 0.00 O ATOM 970 CB CYS A 65 -12.969 -2.140 -6.239 1.00 0.00 C ATOM 971 SG CYS A 65 -12.905 -3.938 -6.574 1.00 0.00 S ATOM 0 H CYS A 65 -13.435 -3.564 -4.228 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.518 -1.532 -4.837 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.978 -1.782 -6.445 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.302 -1.631 -6.935 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.248 -4.162 -7.808 1.00 0.00 H new ATOM 976 N GLY A 66 -12.857 0.656 -4.810 1.00 0.00 N ATOM 977 CA GLY A 66 -13.471 1.924 -4.454 1.00 0.00 C ATOM 978 C GLY A 66 -12.873 2.477 -3.158 1.00 0.00 C ATOM 979 O GLY A 66 -12.735 3.689 -3.003 1.00 0.00 O ATOM 0 H GLY A 66 -12.048 0.732 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.326 2.642 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.546 1.791 -4.335 1.00 0.00 H new ATOM 983 N GLU A 67 -12.534 1.562 -2.262 1.00 0.00 N ATOM 984 CA GLU A 67 -11.955 1.943 -0.986 1.00 0.00 C ATOM 985 C GLU A 67 -10.514 2.421 -1.178 1.00 0.00 C ATOM 986 O GLU A 67 -9.974 3.131 -0.331 1.00 0.00 O ATOM 987 CB GLU A 67 -12.019 0.786 0.013 1.00 0.00 C ATOM 988 CG GLU A 67 -12.540 1.262 1.371 1.00 0.00 C ATOM 989 CD GLU A 67 -12.584 0.109 2.376 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.200 0.287 3.541 1.00 0.00 O ATOM 991 OE2 GLU A 67 -13.038 -1.005 1.909 1.00 0.00 O ATOM 0 H GLU A 67 -12.649 0.557 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.539 2.767 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.669 0.001 -0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.028 0.349 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.899 2.057 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.538 1.685 1.254 1.00 0.00 H new ATOM 999 N CYS A 68 -9.934 2.014 -2.297 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.566 2.392 -2.612 1.00 0.00 C ATOM 1001 C CYS A 68 -8.597 3.363 -3.794 1.00 0.00 C ATOM 1002 O CYS A 68 -7.959 4.414 -3.754 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.693 1.169 -2.900 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.538 0.883 -1.510 1.00 0.00 S ATOM 0 H CYS A 68 -10.386 1.426 -2.997 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.114 2.884 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.321 0.291 -3.048 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.134 1.321 -3.823 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.803 -0.159 -1.764 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.344 2.976 -4.817 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.465 3.800 -6.008 1.00 0.00 C ATOM 1011 C HIS A 69 -10.618 4.790 -5.833 1.00 0.00 C ATOM 1012 O HIS A 69 -11.783 4.425 -5.988 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.616 2.929 -7.258 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.470 1.972 -7.481 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.214 2.388 -7.889 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.402 0.616 -7.350 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.435 1.322 -7.995 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.173 0.225 -7.661 1.00 0.00 N ATOM 0 H HIS A 69 -9.871 2.103 -4.846 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.553 4.380 -6.147 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.542 2.359 -7.182 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.711 3.576 -8.130 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.936 3.351 -8.076 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.212 -0.030 -7.045 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.397 1.322 -8.294 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.254 6.022 -5.511 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.244 7.067 -5.312 1.00 0.00 C ATOM 1028 C LYS A 70 -11.297 7.956 -6.556 1.00 0.00 C ATOM 1029 O LYS A 70 -10.325 8.637 -6.879 1.00 0.00 O ATOM 1030 CB LYS A 70 -10.960 7.835 -4.019 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.248 6.968 -2.792 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.602 7.324 -2.175 1.00 0.00 C ATOM 1033 CE LYS A 70 -12.919 6.413 -0.987 1.00 0.00 C ATOM 1034 NZ LYS A 70 -13.784 7.115 -0.012 1.00 0.00 N ATOM 0 H LYS A 70 -9.287 6.320 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.236 6.633 -5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.919 8.158 -4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.573 8.736 -3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.239 5.916 -3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.460 7.105 -2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.595 8.364 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.385 7.231 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.416 5.508 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.993 6.102 -0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.990 6.483 0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.296 7.965 0.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.674 7.390 -0.473 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.443 7.920 -7.221 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.636 8.714 -8.423 1.00 0.00 C ATOM 1049 C LYS A 71 -12.987 10.151 -8.029 1.00 0.00 C ATOM 1050 O LYS A 71 -13.358 10.411 -6.885 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.670 8.057 -9.339 1.00 0.00 C ATOM 1052 CG LYS A 71 -13.495 8.522 -10.786 1.00 0.00 C ATOM 1053 CD LYS A 71 -12.276 7.860 -11.430 1.00 0.00 C ATOM 1054 CE LYS A 71 -12.544 7.529 -12.900 1.00 0.00 C ATOM 1055 NZ LYS A 71 -11.715 6.383 -13.333 1.00 0.00 N ATOM 0 H LYS A 71 -13.247 7.354 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.714 8.758 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.570 6.973 -9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.675 8.302 -8.994 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.390 8.281 -11.360 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.381 9.606 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.415 8.524 -11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.024 6.948 -10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.599 7.295 -13.040 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.325 8.398 -13.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.909 6.172 -14.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.709 6.620 -13.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.943 5.551 -12.753 1.00 0.00 H new