USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 476 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= -0.0297 X(o=-0.053,f=-0.055) USER MOD Set 1.2: A 69 HIS : no HE2:sc= -0.0234 X(o=-0.053,f=-0.5) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -2.52 K(o=-6.5,f=-7.6!) USER MOD Set 2.2: A 55 HIS : no HD1:sc= -4.01! C(o=-6.5!,f=-6.7!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 31 HIS : no HD1:sc= 0 X(o=0,f=0) 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= -1.85! C(o=-1.9!,f=-3.7!) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= 0.288 (180deg=0.17) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.96 F(o=-2.7!,f=-2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0528 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+ 143:sc= -0.228 (180deg=-1.63!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00194 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.167 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 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 1.848 2.602 -1.473 1.00 1.00 N ATOM 12 CA ASP A 2 1.260 3.693 -2.231 1.00 1.00 C ATOM 13 C ASP A 2 -0.239 3.766 -1.931 1.00 1.00 C ATOM 14 O ASP A 2 -0.692 4.669 -1.229 1.00 1.00 O ATOM 15 CB ASP A 2 1.432 3.475 -3.735 1.00 1.00 C ATOM 16 CG ASP A 2 1.423 2.012 -4.181 1.00 1.00 C ATOM 17 OD1 ASP A 2 0.973 1.122 -3.445 1.00 1.00 O ATOM 18 OD2 ASP A 2 1.911 1.798 -5.356 1.00 1.00 O ATOM 0 HA ASP A 2 1.764 4.615 -1.941 1.00 1.00 H new ATOM 0 HB2 ASP A 2 0.634 4.003 -4.257 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.373 3.929 -4.048 1.00 1.00 H new ATOM 24 N ASP A 3 -0.968 2.805 -2.480 1.00 1.00 N ATOM 25 CA ASP A 3 -2.405 2.749 -2.281 1.00 1.00 C ATOM 26 C ASP A 3 -2.714 1.874 -1.065 1.00 1.00 C ATOM 27 O ASP A 3 -2.206 0.759 -0.952 1.00 1.00 O ATOM 28 CB ASP A 3 -3.106 2.136 -3.495 1.00 1.00 C ATOM 29 CG ASP A 3 -4.614 1.939 -3.339 1.00 1.00 C ATOM 30 OD1 ASP A 3 -5.342 2.862 -2.945 1.00 1.00 O ATOM 31 OD2 ASP A 3 -5.046 0.762 -3.646 1.00 1.00 O ATOM 0 H ASP A 3 -0.589 2.059 -3.063 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.764 3.767 -2.133 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -2.926 2.774 -4.360 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -2.649 1.170 -3.710 1.00 1.00 H new ATOM 37 N ILE A 4 -3.546 2.412 -0.185 1.00 1.00 N ATOM 38 CA ILE A 4 -3.928 1.693 1.020 1.00 1.00 C ATOM 39 C ILE A 4 -5.424 1.380 0.967 1.00 1.00 C ATOM 40 O ILE A 4 -6.254 2.288 1.001 1.00 1.00 O ATOM 41 CB ILE A 4 -3.506 2.474 2.265 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.017 2.821 2.217 1.00 1.00 C ATOM 43 CG2 ILE A 4 -3.876 1.714 3.540 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.471 3.093 3.621 1.00 1.00 C ATOM 0 H ILE A 4 -3.966 3.336 -0.282 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.404 0.739 1.078 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.055 3.415 2.280 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.463 2.001 1.760 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.864 3.698 1.588 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.565 2.291 4.411 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -4.955 1.561 3.572 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.372 0.747 3.547 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.411 3.337 3.558 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.010 3.930 4.065 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.603 2.206 4.241 1.00 1.00 H new ATOM 51 N VAL A 5 -5.725 0.093 0.886 1.00 1.00 N ATOM 52 CA VAL A 5 -7.107 -0.352 0.829 1.00 1.00 C ATOM 53 C VAL A 5 -7.664 -0.455 2.250 1.00 1.00 C ATOM 54 O VAL A 5 -7.066 -1.102 3.109 1.00 1.00 O ATOM 55 CB VAL A 5 -7.202 -1.667 0.051 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.563 -2.332 0.266 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.928 -1.445 -1.437 1.00 1.00 C ATOM 0 H VAL A 5 -5.035 -0.657 0.858 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.720 0.372 0.292 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.435 -2.340 0.434 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.605 -3.264 -0.297 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.702 -2.542 1.327 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.353 -1.664 -0.078 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.002 -2.395 -1.966 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.660 -0.746 -1.842 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.926 -1.035 -1.565 1.00 1.00 H new ATOM 63 N LEU A 6 -8.803 0.190 2.453 1.00 1.00 N ATOM 64 CA LEU A 6 -9.447 0.179 3.756 1.00 1.00 C ATOM 65 C LEU A 6 -10.644 -0.773 3.719 1.00 1.00 C ATOM 66 O LEU A 6 -11.786 -0.335 3.596 1.00 1.00 O ATOM 67 CB LEU A 6 -9.805 1.602 4.189 1.00 1.00 C ATOM 68 CG LEU A 6 -8.661 2.618 4.167 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.199 4.047 4.074 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.739 2.431 5.373 1.00 1.00 C ATOM 0 H LEU A 6 -9.297 0.724 1.738 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.763 -0.197 4.517 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.602 1.968 3.541 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.209 1.562 5.200 1.00 1.00 H new ATOM 0 HG LEU A 6 -8.063 2.440 3.273 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.366 4.749 4.060 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.782 4.157 3.160 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.833 4.254 4.936 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.935 3.165 5.333 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.310 2.567 6.292 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.315 1.427 5.355 1.00 1.00 H new ATOM 78 N LYS A 7 -10.341 -2.059 3.830 1.00 1.00 N ATOM 79 CA LYS A 7 -11.379 -3.076 3.812 1.00 1.00 C ATOM 80 C LYS A 7 -12.580 -2.587 4.622 1.00 1.00 C ATOM 81 O LYS A 7 -12.448 -2.271 5.804 1.00 1.00 O ATOM 82 CB LYS A 7 -10.820 -4.418 4.286 1.00 1.00 C ATOM 83 CG LYS A 7 -9.928 -5.051 3.216 1.00 1.00 C ATOM 84 CD LYS A 7 -10.727 -6.019 2.339 1.00 1.00 C ATOM 85 CE LYS A 7 -9.822 -7.107 1.760 1.00 1.00 C ATOM 86 NZ LYS A 7 -10.424 -7.687 0.539 1.00 1.00 N ATOM 0 H LYS A 7 -9.392 -2.419 3.933 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.730 -3.246 2.794 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.248 -4.274 5.202 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -11.641 -5.093 4.526 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.488 -4.270 2.595 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.103 -5.582 3.692 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.522 -6.477 2.928 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -11.206 -5.470 1.528 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -8.843 -6.688 1.526 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -9.664 -7.890 2.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -9.796 -8.424 0.159 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -11.347 -8.105 0.772 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -10.552 -6.940 -0.173 1.00 1.00 H new ATOM 99 N ALA A 8 -13.725 -2.542 3.956 1.00 1.00 N ATOM 100 CA ALA A 8 -14.948 -2.097 4.601 1.00 1.00 C ATOM 101 C ALA A 8 -16.009 -3.193 4.482 1.00 1.00 C ATOM 102 O ALA A 8 -15.941 -4.033 3.585 1.00 1.00 O ATOM 103 CB ALA A 8 -15.404 -0.776 3.977 1.00 1.00 C ATOM 0 H ALA A 8 -13.831 -2.806 2.977 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.777 -1.915 5.662 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.322 -0.442 4.461 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.628 -0.023 4.112 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.588 -0.921 2.912 1.00 1.00 H new ATOM 109 N LYS A 9 -16.964 -3.151 5.399 1.00 1.00 N ATOM 110 CA LYS A 9 -18.037 -4.131 5.409 1.00 1.00 C ATOM 111 C LYS A 9 -19.202 -3.613 4.562 1.00 1.00 C ATOM 112 O LYS A 9 -20.362 -3.762 4.940 1.00 1.00 O ATOM 113 CB LYS A 9 -18.430 -4.482 6.845 1.00 1.00 C ATOM 114 CG LYS A 9 -17.404 -5.424 7.480 1.00 1.00 C ATOM 115 CD LYS A 9 -16.904 -4.869 8.815 1.00 1.00 C ATOM 116 CE LYS A 9 -15.657 -4.005 8.618 1.00 1.00 C ATOM 117 NZ LYS A 9 -14.537 -4.514 9.440 1.00 1.00 N ATOM 0 H LYS A 9 -17.017 -2.453 6.141 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.703 -5.065 4.957 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.508 -3.570 7.438 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.414 -4.952 6.852 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -17.853 -6.405 7.635 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -16.562 -5.562 6.801 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -17.690 -4.277 9.284 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -16.677 -5.692 9.493 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -15.372 -4.003 7.566 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -15.876 -2.973 8.891 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -13.699 -3.916 9.294 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -14.806 -4.493 10.444 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -14.317 -5.491 9.160 1.00 1.00 H new ATOM 130 N ASN A 10 -18.850 -3.017 3.432 1.00 1.00 N ATOM 131 CA ASN A 10 -19.851 -2.477 2.529 1.00 1.00 C ATOM 132 C ASN A 10 -19.159 -1.660 1.436 1.00 1.00 C ATOM 133 O ASN A 10 -19.510 -0.503 1.205 1.00 1.00 O ATOM 134 CB ASN A 10 -20.820 -1.553 3.269 1.00 1.00 C ATOM 135 CG ASN A 10 -21.760 -0.845 2.290 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.918 -1.240 1.146 1.00 1.00 O ATOM 137 ND2 ASN A 10 -22.372 0.219 2.801 1.00 1.00 N ATOM 0 H ASN A 10 -17.886 -2.896 3.122 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.405 -3.313 2.102 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.404 -2.131 3.985 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -20.258 -0.813 3.839 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -23.019 0.760 2.227 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -22.194 0.495 3.767 1.00 1.00 H new ATOM 143 N GLY A 11 -18.188 -2.292 0.794 1.00 1.00 N ATOM 144 CA GLY A 11 -17.443 -1.637 -0.268 1.00 1.00 C ATOM 145 C GLY A 11 -16.086 -1.144 0.238 1.00 1.00 C ATOM 146 O GLY A 11 -16.013 -0.433 1.240 1.00 1.00 O ATOM 0 H GLY A 11 -17.900 -3.251 0.989 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.296 -2.331 -1.096 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -18.018 -0.796 -0.655 1.00 1.00 H new ATOM 150 N ASP A 12 -15.043 -1.540 -0.478 1.00 1.00 N ATOM 151 CA ASP A 12 -13.693 -1.147 -0.114 1.00 1.00 C ATOM 152 C ASP A 12 -13.457 0.304 -0.538 1.00 1.00 C ATOM 153 O ASP A 12 -14.216 0.853 -1.338 1.00 1.00 O ATOM 154 CB ASP A 12 -12.655 -2.021 -0.821 1.00 1.00 C ATOM 155 CG ASP A 12 -12.319 -1.596 -2.251 1.00 1.00 C ATOM 156 OD1 ASP A 12 -12.987 -2.005 -3.213 1.00 1.00 O ATOM 157 OD2 ASP A 12 -11.310 -0.800 -2.361 1.00 1.00 O ATOM 0 H ASP A 12 -15.106 -2.129 -1.308 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.587 -1.263 0.965 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -11.738 -2.018 -0.232 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -13.019 -3.048 -0.839 1.00 1.00 H new ATOM 163 N VAL A 13 -12.402 0.885 0.014 1.00 1.00 N ATOM 164 CA VAL A 13 -12.057 2.262 -0.299 1.00 1.00 C ATOM 165 C VAL A 13 -10.649 2.307 -0.895 1.00 1.00 C ATOM 166 O VAL A 13 -9.755 1.593 -0.440 1.00 1.00 O ATOM 167 CB VAL A 13 -12.206 3.134 0.950 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.626 4.530 0.716 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.670 3.216 1.390 1.00 1.00 C ATOM 0 H VAL A 13 -11.775 0.428 0.676 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.739 2.667 -1.046 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.639 2.666 1.755 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.745 5.129 1.619 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.567 4.448 0.472 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -12.153 5.009 -0.109 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.748 3.841 2.279 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.267 3.650 0.588 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -14.038 2.215 1.616 1.00 1.00 H new ATOM 175 N LYS A 14 -10.494 3.153 -1.903 1.00 1.00 N ATOM 176 CA LYS A 14 -9.210 3.301 -2.565 1.00 1.00 C ATOM 177 C LYS A 14 -8.591 4.645 -2.176 1.00 1.00 C ATOM 178 O LYS A 14 -9.059 5.697 -2.611 1.00 1.00 O ATOM 179 CB LYS A 14 -9.361 3.109 -4.075 1.00 1.00 C ATOM 180 CG LYS A 14 -9.142 1.645 -4.466 1.00 1.00 C ATOM 181 CD LYS A 14 -7.793 1.137 -3.954 1.00 1.00 C ATOM 182 CE LYS A 14 -7.252 0.021 -4.850 1.00 1.00 C ATOM 183 NZ LYS A 14 -6.501 0.591 -5.991 1.00 1.00 N ATOM 0 H LYS A 14 -11.237 3.743 -2.277 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.520 2.524 -2.235 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.355 3.428 -4.388 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -8.644 3.740 -4.599 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -9.945 1.032 -4.057 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -9.185 1.544 -5.550 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -7.079 1.960 -3.921 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.902 0.769 -2.934 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -6.603 -0.636 -4.271 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -8.076 -0.590 -5.218 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -6.346 -0.147 -6.708 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -7.046 1.372 -6.410 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -5.583 0.949 -5.658 1.00 1.00 H new ATOM 196 N PHE A 15 -7.550 4.566 -1.360 1.00 1.00 N ATOM 197 CA PHE A 15 -6.864 5.764 -0.907 1.00 1.00 C ATOM 198 C PHE A 15 -5.366 5.686 -1.213 1.00 1.00 C ATOM 199 O PHE A 15 -4.644 4.820 -0.723 1.00 1.00 O ATOM 200 CB PHE A 15 -7.058 5.846 0.609 1.00 1.00 C ATOM 201 CG PHE A 15 -6.318 7.010 1.269 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.778 8.281 1.118 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.202 6.774 2.008 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.091 9.362 1.732 1.00 1.00 C ATOM 205 CE2 PHE A 15 -4.515 7.856 2.622 1.00 1.00 C ATOM 206 CZ PHE A 15 -4.974 9.126 2.470 1.00 1.00 C ATOM 0 H PHE A 15 -7.165 3.692 -1.001 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.268 6.639 -1.417 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.123 5.937 0.824 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.720 4.912 1.059 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.665 8.468 0.531 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -4.837 5.765 2.129 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.456 10.371 1.613 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -3.628 7.669 3.209 1.00 1.00 H new ATOM 0 HZ PHE A 15 -4.451 9.948 2.936 1.00 1.00 H new ATOM 216 N PRO A 16 -4.910 6.624 -2.046 1.00 1.00 N ATOM 217 CA PRO A 16 -3.532 6.740 -2.469 1.00 1.00 C ATOM 218 C PRO A 16 -2.739 7.511 -1.423 1.00 1.00 C ATOM 219 O PRO A 16 -2.739 8.740 -1.456 1.00 1.00 O ATOM 220 CB PRO A 16 -3.590 7.508 -3.787 1.00 1.00 C ATOM 221 CG PRO A 16 -4.789 8.427 -3.562 1.00 1.00 C ATOM 222 CD PRO A 16 -5.731 7.658 -2.639 1.00 1.00 C ATOM 0 HA PRO A 16 -3.043 5.773 -2.590 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.674 8.069 -3.974 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.737 6.845 -4.640 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.481 9.369 -3.110 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.278 8.671 -4.505 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.157 8.310 -1.876 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.566 7.230 -3.194 1.00 1.00 H new ATOM 230 N HIS A 17 -2.082 6.787 -0.517 1.00 1.00 N ATOM 231 CA HIS A 17 -1.283 7.384 0.547 1.00 1.00 C ATOM 232 C HIS A 17 -0.104 8.165 -0.064 1.00 1.00 C ATOM 233 O HIS A 17 0.044 9.360 0.189 1.00 1.00 O ATOM 234 CB HIS A 17 -0.868 6.285 1.535 1.00 1.00 C ATOM 235 CG HIS A 17 -0.195 6.736 2.811 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.133 6.830 2.930 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.715 7.117 4.024 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.428 7.254 4.169 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.323 7.446 4.887 1.00 1.00 N ATOM 0 H HIS A 17 -2.091 5.767 -0.502 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.859 8.114 1.116 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.758 5.715 1.803 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.195 5.601 1.019 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.811 6.615 2.199 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.766 7.155 4.269 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.431 7.418 4.536 1.00 1.00 H new ATOM 247 N LYS A 18 0.696 7.460 -0.851 1.00 1.00 N ATOM 248 CA LYS A 18 1.846 8.074 -1.493 1.00 1.00 C ATOM 249 C LYS A 18 1.438 9.432 -2.067 1.00 1.00 C ATOM 250 O LYS A 18 2.251 10.354 -2.126 1.00 1.00 O ATOM 251 CB LYS A 18 2.451 7.125 -2.529 1.00 1.00 C ATOM 252 CG LYS A 18 3.166 7.904 -3.635 1.00 1.00 C ATOM 253 CD LYS A 18 3.880 6.955 -4.601 1.00 1.00 C ATOM 254 CE LYS A 18 5.006 7.676 -5.344 1.00 1.00 C ATOM 255 NZ LYS A 18 5.345 6.959 -6.593 1.00 1.00 N ATOM 0 H LYS A 18 0.570 6.469 -1.059 1.00 1.00 H new ATOM 0 HA LYS A 18 2.636 8.259 -0.765 1.00 1.00 H new ATOM 0 HB2 LYS A 18 3.154 6.450 -2.042 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.665 6.507 -2.964 1.00 1.00 H new ATOM 0 HG2 LYS A 18 2.444 8.511 -4.182 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.889 8.590 -3.193 1.00 1.00 H new ATOM 0 HD2 LYS A 18 4.287 6.108 -4.050 1.00 1.00 H new ATOM 0 HD3 LYS A 18 3.164 6.554 -5.319 1.00 1.00 H new ATOM 0 HE2 LYS A 18 4.702 8.697 -5.575 1.00 1.00 H new ATOM 0 HE3 LYS A 18 5.887 7.743 -4.705 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 6.111 7.462 -7.085 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 5.655 5.993 -6.365 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 4.507 6.918 -7.208 1.00 1.00 H new ATOM 268 N ALA A 19 0.181 9.513 -2.476 1.00 1.00 N ATOM 269 CA ALA A 19 -0.344 10.744 -3.043 1.00 1.00 C ATOM 270 C ALA A 19 -0.585 11.756 -1.922 1.00 1.00 C ATOM 271 O ALA A 19 -0.313 12.944 -2.076 1.00 1.00 O ATOM 272 CB ALA A 19 -1.616 10.439 -3.837 1.00 1.00 C ATOM 0 H ALA A 19 -0.490 8.746 -2.426 1.00 1.00 H new ATOM 0 HA ALA A 19 0.374 11.184 -3.735 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.010 11.362 -4.262 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.385 9.739 -4.640 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.361 9.998 -3.175 1.00 1.00 H new ATOM 278 N HIS A 20 -1.098 11.245 -0.803 1.00 1.00 N ATOM 279 CA HIS A 20 -1.396 12.053 0.374 1.00 1.00 C ATOM 280 C HIS A 20 -0.105 12.297 1.179 1.00 1.00 C ATOM 281 O HIS A 20 -0.162 12.804 2.298 1.00 1.00 O ATOM 282 CB HIS A 20 -2.519 11.377 1.172 1.00 1.00 C ATOM 283 CG HIS A 20 -3.935 11.648 0.717 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.420 11.184 -0.439 1.00 1.00 N ATOM 285 CD2 HIS A 20 -4.957 12.355 1.304 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.694 11.586 -0.566 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.076 12.312 0.483 1.00 1.00 N ATOM 0 H HIS A 20 -1.318 10.256 -0.689 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.763 13.041 0.096 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.354 10.300 1.146 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.431 11.688 2.213 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -3.906 10.617 -1.114 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -4.899 12.864 2.255 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.327 11.351 -1.409 1.00 1.00 H new ATOM 295 N GLN A 21 1.015 11.926 0.578 1.00 1.00 N ATOM 296 CA GLN A 21 2.304 12.100 1.226 1.00 1.00 C ATOM 297 C GLN A 21 3.045 13.295 0.621 1.00 1.00 C ATOM 298 O GLN A 21 4.215 13.522 0.925 1.00 1.00 O ATOM 299 CB GLN A 21 3.146 10.825 1.124 1.00 1.00 C ATOM 300 CG GLN A 21 3.823 10.508 2.459 1.00 1.00 C ATOM 301 CD GLN A 21 4.554 11.735 3.008 1.00 1.00 C ATOM 302 OE1 GLN A 21 3.819 12.479 3.832 1.00 1.00 O flip ATOM 303 NE2 GLN A 21 5.708 11.989 2.705 1.00 1.00 N flip ATOM 0 H GLN A 21 1.057 11.506 -0.350 1.00 1.00 H new ATOM 0 HA GLN A 21 2.133 12.300 2.284 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.513 9.989 0.826 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.902 10.945 0.348 1.00 1.00 H new ATOM 0 HG2 GLN A 21 3.076 10.173 3.179 1.00 1.00 H new ATOM 0 HG3 GLN A 21 4.529 9.688 2.327 1.00 1.00 H new ATOM 0 HE21 GLN A 21 6.215 11.375 2.067 1.00 1.00 H new ATOM 0 HE22 GLN A 21 6.166 12.815 3.090 1.00 1.00 H new ATOM 311 N LYS A 22 2.333 14.026 -0.224 1.00 1.00 N ATOM 312 CA LYS A 22 2.908 15.192 -0.873 1.00 1.00 C ATOM 313 C LYS A 22 1.815 16.239 -1.093 1.00 1.00 C ATOM 314 O LYS A 22 1.975 17.148 -1.905 1.00 1.00 O ATOM 315 CB LYS A 22 3.637 14.785 -2.155 1.00 1.00 C ATOM 316 CG LYS A 22 4.605 15.881 -2.606 1.00 1.00 C ATOM 317 CD LYS A 22 5.317 15.485 -3.902 1.00 1.00 C ATOM 318 CE LYS A 22 6.199 16.625 -4.414 1.00 1.00 C ATOM 319 NZ LYS A 22 5.387 17.614 -5.158 1.00 1.00 N ATOM 0 H LYS A 22 1.363 13.833 -0.474 1.00 1.00 H new ATOM 0 HA LYS A 22 3.664 15.650 -0.235 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.184 13.857 -1.988 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.911 14.589 -2.944 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.060 16.813 -2.756 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.342 16.065 -1.824 1.00 1.00 H new ATOM 0 HD2 LYS A 22 5.927 14.598 -3.730 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.580 15.222 -4.660 1.00 1.00 H new ATOM 0 HE2 LYS A 22 6.698 17.112 -3.576 1.00 1.00 H new ATOM 0 HE3 LYS A 22 6.980 16.226 -5.061 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 6.001 18.381 -5.499 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.931 17.149 -5.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.658 18.007 -4.530 1.00 1.00 H new ATOM 332 N ALA A 23 0.727 16.076 -0.354 1.00 1.00 N ATOM 333 CA ALA A 23 -0.393 16.996 -0.458 1.00 1.00 C ATOM 334 C ALA A 23 -0.665 17.619 0.913 1.00 1.00 C ATOM 335 O ALA A 23 -1.656 18.325 1.092 1.00 1.00 O ATOM 336 CB ALA A 23 -1.611 16.257 -1.014 1.00 1.00 C ATOM 0 H ALA A 23 0.597 15.321 0.319 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.160 17.807 -1.148 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.451 16.947 -1.092 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.376 15.859 -2.001 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.876 15.437 -0.346 1.00 1.00 H new ATOM 391 N LYS A 28 1.770 15.183 9.888 1.00 1.00 N ATOM 392 CA LYS A 28 1.420 15.168 11.299 1.00 1.00 C ATOM 393 C LYS A 28 0.042 15.807 11.485 1.00 1.00 C ATOM 394 O LYS A 28 -0.306 16.231 12.586 1.00 1.00 O ATOM 395 CB LYS A 28 2.521 15.827 12.132 1.00 1.00 C ATOM 396 CG LYS A 28 3.884 15.200 11.832 1.00 1.00 C ATOM 397 CD LYS A 28 5.021 16.098 12.322 1.00 1.00 C ATOM 398 CE LYS A 28 5.916 16.533 11.160 1.00 1.00 C ATOM 399 NZ LYS A 28 6.422 17.907 11.381 1.00 1.00 N ATOM 0 HA LYS A 28 1.348 14.143 11.663 1.00 1.00 H new ATOM 0 HB2 LYS A 28 2.553 16.895 11.919 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.293 15.720 13.193 1.00 1.00 H new ATOM 0 HG2 LYS A 28 3.953 14.224 12.313 1.00 1.00 H new ATOM 0 HG3 LYS A 28 3.984 15.034 10.759 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.608 16.977 12.816 1.00 1.00 H new ATOM 0 HD3 LYS A 28 5.616 15.565 13.064 1.00 1.00 H new ATOM 0 HE2 LYS A 28 6.753 15.842 11.060 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.355 16.491 10.226 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 7.028 18.186 10.583 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.620 18.565 11.454 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 6.974 17.936 12.262 1.00 1.00 H new ATOM 412 N LYS A 29 -0.705 15.856 10.392 1.00 1.00 N ATOM 413 CA LYS A 29 -2.037 16.437 10.421 1.00 1.00 C ATOM 414 C LYS A 29 -3.040 15.376 10.877 1.00 1.00 C ATOM 415 O LYS A 29 -3.860 15.631 11.759 1.00 1.00 O ATOM 416 CB LYS A 29 -2.377 17.063 9.067 1.00 1.00 C ATOM 417 CG LYS A 29 -3.667 17.881 9.151 1.00 1.00 C ATOM 418 CD LYS A 29 -3.850 18.748 7.904 1.00 1.00 C ATOM 419 CE LYS A 29 -2.964 19.994 7.967 1.00 1.00 C ATOM 420 NZ LYS A 29 -3.775 21.189 8.292 1.00 1.00 N ATOM 0 H LYS A 29 -0.413 15.503 9.481 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.083 17.252 11.144 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.557 17.703 8.742 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.487 16.280 8.317 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.520 17.211 9.261 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -3.643 18.514 10.038 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.605 18.168 7.014 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -4.895 19.045 7.813 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -2.188 19.858 8.720 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -2.460 20.138 7.011 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -3.159 22.026 8.331 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -4.500 21.326 7.559 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -4.236 21.055 9.214 1.00 1.00 H new ATOM 433 N CYS A 30 -2.943 14.209 10.258 1.00 1.00 N ATOM 434 CA CYS A 30 -3.833 13.109 10.590 1.00 1.00 C ATOM 435 C CYS A 30 -3.180 12.281 11.699 1.00 1.00 C ATOM 436 O CYS A 30 -3.775 12.052 12.749 1.00 1.00 O ATOM 437 CB CYS A 30 -4.164 12.259 9.363 1.00 1.00 C ATOM 438 SG CYS A 30 -3.904 13.235 7.836 1.00 1.00 S ATOM 0 H CYS A 30 -2.262 14.001 9.528 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.785 13.503 10.945 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -3.535 11.369 9.347 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -5.198 11.918 9.415 1.00 1.00 H new ATOM 0 HG CYS A 30 -4.186 12.503 6.800 1.00 1.00 H new ATOM 443 N HIS A 31 -1.948 11.848 11.427 1.00 1.00 N ATOM 444 CA HIS A 31 -1.167 11.045 12.361 1.00 1.00 C ATOM 445 C HIS A 31 -0.957 11.827 13.671 1.00 1.00 C ATOM 446 O HIS A 31 -0.957 11.236 14.750 1.00 1.00 O ATOM 447 CB HIS A 31 0.133 10.605 11.672 1.00 1.00 C ATOM 448 CG HIS A 31 0.004 9.582 10.567 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.427 8.337 10.786 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.267 9.665 9.220 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.434 7.669 9.622 1.00 1.00 C ATOM 452 NE2 HIS A 31 -0.014 8.443 8.622 1.00 1.00 N ATOM 0 H HIS A 31 -1.465 12.046 10.551 1.00 1.00 H new ATOM 0 HA HIS A 31 -1.695 10.134 12.642 1.00 1.00 H new ATOM 0 HB2 HIS A 31 0.616 11.491 11.260 1.00 1.00 H new ATOM 0 HB3 HIS A 31 0.801 10.202 12.433 1.00 1.00 H new ATOM 0 HD2 HIS A 31 0.634 10.542 8.708 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -0.740 6.639 9.510 1.00 1.00 H new ATOM 0 HE2 HIS A 31 0.080 8.194 7.637 1.00 1.00 H new ATOM 460 N GLU A 32 -0.786 13.133 13.529 1.00 1.00 N ATOM 461 CA GLU A 32 -0.578 13.989 14.685 1.00 1.00 C ATOM 462 C GLU A 32 0.916 14.121 14.986 1.00 1.00 C ATOM 463 O GLU A 32 1.430 15.230 15.125 1.00 1.00 O ATOM 464 CB GLU A 32 -1.339 13.462 15.902 1.00 1.00 C ATOM 465 CG GLU A 32 -1.745 14.606 16.833 1.00 1.00 C ATOM 466 CD GLU A 32 -1.679 14.170 18.299 1.00 1.00 C ATOM 467 OE1 GLU A 32 -0.604 13.792 18.785 1.00 1.00 O ATOM 468 OE2 GLU A 32 -2.799 14.234 18.937 1.00 1.00 O ATOM 0 H GLU A 32 -0.787 13.619 12.632 1.00 1.00 H new ATOM 0 HA GLU A 32 -0.971 14.979 14.454 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -2.228 12.923 15.574 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -0.716 12.751 16.444 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -1.087 15.460 16.674 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.756 14.934 16.593 1.00 1.00 H new ATOM 476 N LYS A 33 1.572 12.974 15.078 1.00 1.00 N ATOM 477 CA LYS A 33 2.997 12.947 15.361 1.00 1.00 C ATOM 478 C LYS A 33 3.440 11.500 15.588 1.00 1.00 C ATOM 479 O LYS A 33 3.574 11.061 16.729 1.00 1.00 O ATOM 480 CB LYS A 33 3.330 13.883 16.524 1.00 1.00 C ATOM 481 CG LYS A 33 2.327 13.715 17.666 1.00 1.00 C ATOM 482 CD LYS A 33 2.766 14.505 18.901 1.00 1.00 C ATOM 483 CE LYS A 33 2.693 13.639 20.161 1.00 1.00 C ATOM 484 NZ LYS A 33 3.945 12.870 20.335 1.00 1.00 N ATOM 0 H LYS A 33 1.143 12.056 14.962 1.00 1.00 H new ATOM 0 HA LYS A 33 3.562 13.323 14.508 1.00 1.00 H new ATOM 0 HB2 LYS A 33 4.337 13.675 16.886 1.00 1.00 H new ATOM 0 HB3 LYS A 33 3.323 14.916 16.178 1.00 1.00 H new ATOM 0 HG2 LYS A 33 1.343 14.055 17.343 1.00 1.00 H new ATOM 0 HG3 LYS A 33 2.233 12.659 17.920 1.00 1.00 H new ATOM 0 HD2 LYS A 33 3.785 14.867 18.763 1.00 1.00 H new ATOM 0 HD3 LYS A 33 2.130 15.382 19.021 1.00 1.00 H new ATOM 0 HE2 LYS A 33 2.523 14.270 21.033 1.00 1.00 H new ATOM 0 HE3 LYS A 33 1.846 12.956 20.091 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 3.878 12.288 21.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 4.091 12.254 19.510 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 4.746 13.527 20.423 1.00 1.00 H new ATOM 497 N GLY A 34 3.656 10.800 14.484 1.00 1.00 N ATOM 498 CA GLY A 34 4.081 9.412 14.550 1.00 1.00 C ATOM 499 C GLY A 34 3.278 8.546 13.577 1.00 1.00 C ATOM 500 O GLY A 34 2.053 8.615 13.501 1.00 1.00 O ATOM 0 H GLY A 34 3.545 11.168 13.539 1.00 1.00 H new ATOM 0 HA2 GLY A 34 5.143 9.341 14.314 1.00 1.00 H new ATOM 0 HA3 GLY A 34 3.955 9.037 15.566 1.00 1.00 H new ATOM 504 N PRO A 35 4.007 7.719 12.824 1.00 1.00 N ATOM 505 CA PRO A 35 3.455 6.810 11.842 1.00 1.00 C ATOM 506 C PRO A 35 2.799 5.632 12.547 1.00 1.00 C ATOM 507 O PRO A 35 2.458 5.758 13.722 1.00 1.00 O ATOM 508 CB PRO A 35 4.653 6.355 11.013 1.00 1.00 C ATOM 509 CG PRO A 35 5.791 6.397 12.030 1.00 1.00 C ATOM 510 CD PRO A 35 5.448 7.612 12.888 1.00 1.00 C ATOM 0 HA PRO A 35 2.690 7.273 11.219 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.509 5.354 10.606 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.838 7.019 10.169 1.00 1.00 H new ATOM 0 HG2 PRO A 35 5.834 5.484 12.624 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.761 6.508 11.545 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.789 7.479 13.915 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.928 8.513 12.507 1.00 1.00 H new ATOM 518 N GLY A 36 2.636 4.528 11.833 1.00 1.00 N ATOM 519 CA GLY A 36 2.020 3.346 12.411 1.00 1.00 C ATOM 520 C GLY A 36 0.495 3.468 12.411 1.00 1.00 C ATOM 521 O GLY A 36 -0.055 4.428 11.874 1.00 1.00 O ATOM 0 H GLY A 36 2.920 4.427 10.859 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.318 2.463 11.846 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.377 3.207 13.431 1.00 1.00 H new ATOM 525 N LYS A 37 -0.146 2.480 13.019 1.00 1.00 N ATOM 526 CA LYS A 37 -1.597 2.465 13.096 1.00 1.00 C ATOM 527 C LYS A 37 -2.081 3.749 13.773 1.00 1.00 C ATOM 528 O LYS A 37 -1.409 4.282 14.654 1.00 1.00 O ATOM 529 CB LYS A 37 -2.083 1.187 13.783 1.00 1.00 C ATOM 530 CG LYS A 37 -2.316 0.071 12.763 1.00 1.00 C ATOM 531 CD LYS A 37 -3.338 0.498 11.707 1.00 1.00 C ATOM 532 CE LYS A 37 -4.108 -0.710 11.170 1.00 1.00 C ATOM 533 NZ LYS A 37 -5.554 -0.570 11.454 1.00 1.00 N ATOM 0 H LYS A 37 0.313 1.684 13.463 1.00 1.00 H new ATOM 0 HA LYS A 37 -2.032 2.448 12.097 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.348 0.864 14.520 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -3.008 1.389 14.323 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -1.374 -0.187 12.279 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -2.668 -0.825 13.273 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -4.035 1.215 12.140 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -2.829 1.004 10.886 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -3.949 -0.802 10.095 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -3.728 -1.624 11.627 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -6.062 -1.398 11.083 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -5.701 -0.505 12.481 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -5.916 0.291 10.997 1.00 1.00 H new ATOM 546 N ILE A 38 -3.244 4.207 13.336 1.00 1.00 N ATOM 547 CA ILE A 38 -3.827 5.419 13.888 1.00 1.00 C ATOM 548 C ILE A 38 -4.722 5.054 15.076 1.00 1.00 C ATOM 549 O ILE A 38 -5.436 4.055 15.034 1.00 1.00 O ATOM 550 CB ILE A 38 -4.546 6.214 12.797 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.555 7.038 11.975 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.658 7.080 13.392 1.00 1.00 C ATOM 553 CD1 ILE A 38 -4.255 8.212 11.287 1.00 1.00 C ATOM 0 H ILE A 38 -3.799 3.761 12.606 1.00 1.00 H new ATOM 0 HA ILE A 38 -3.046 6.079 14.267 1.00 1.00 H new ATOM 0 HB ILE A 38 -5.019 5.507 12.115 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.762 7.412 12.623 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -3.082 6.403 11.226 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -6.153 7.635 12.595 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -6.385 6.443 13.896 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.230 7.780 14.109 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.527 8.782 10.709 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.031 7.834 10.621 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.706 8.858 12.040 1.00 1.00 H new ATOM 560 N GLU A 39 -4.652 5.886 16.104 1.00 1.00 N ATOM 561 CA GLU A 39 -5.446 5.664 17.301 1.00 1.00 C ATOM 562 C GLU A 39 -6.747 4.939 16.946 1.00 1.00 C ATOM 563 O GLU A 39 -7.739 5.573 16.592 1.00 1.00 O ATOM 564 CB GLU A 39 -5.733 6.983 18.022 1.00 1.00 C ATOM 565 CG GLU A 39 -6.688 7.857 17.207 1.00 1.00 C ATOM 566 CD GLU A 39 -6.355 9.340 17.378 1.00 1.00 C ATOM 567 OE1 GLU A 39 -6.280 9.832 18.513 1.00 1.00 O ATOM 568 OE2 GLU A 39 -6.168 9.987 16.277 1.00 1.00 O ATOM 0 H GLU A 39 -4.058 6.715 16.133 1.00 1.00 H new ATOM 0 HA GLU A 39 -4.874 5.034 17.982 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -6.167 6.779 19.001 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -4.799 7.519 18.192 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -6.625 7.586 16.153 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -7.715 7.672 17.523 1.00 1.00 H new ATOM 576 N GLY A 40 -6.699 3.619 17.056 1.00 1.00 N ATOM 577 CA GLY A 40 -7.862 2.801 16.751 1.00 1.00 C ATOM 578 C GLY A 40 -8.796 3.518 15.775 1.00 1.00 C ATOM 579 O GLY A 40 -9.762 4.157 16.190 1.00 1.00 O ATOM 0 H GLY A 40 -5.875 3.096 17.352 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.541 1.852 16.322 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.399 2.569 17.671 1.00 1.00 H new ATOM 583 N PHE A 41 -8.477 3.387 14.496 1.00 1.00 N ATOM 584 CA PHE A 41 -9.276 4.014 13.457 1.00 1.00 C ATOM 585 C PHE A 41 -10.720 3.510 13.497 1.00 1.00 C ATOM 586 O PHE A 41 -10.976 2.379 13.908 1.00 1.00 O ATOM 587 CB PHE A 41 -8.650 3.625 12.115 1.00 1.00 C ATOM 588 CG PHE A 41 -9.361 4.225 10.901 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.630 3.841 10.598 1.00 1.00 C ATOM 590 CD2 PHE A 41 -8.724 5.140 10.123 1.00 1.00 C ATOM 591 CE1 PHE A 41 -11.291 4.396 9.470 1.00 1.00 C ATOM 592 CE2 PHE A 41 -9.384 5.696 8.994 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.653 5.312 8.693 1.00 1.00 C ATOM 0 H PHE A 41 -7.676 2.856 14.155 1.00 1.00 H new ATOM 0 HA PHE A 41 -9.292 5.094 13.601 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.607 3.942 12.106 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.653 2.539 12.025 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -11.136 3.113 11.216 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.716 5.444 10.363 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.299 4.091 9.230 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -8.878 6.423 8.376 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.155 5.735 7.836 1.00 1.00 H new ATOM 603 N GLY A 42 -11.627 4.375 13.065 1.00 1.00 N ATOM 604 CA GLY A 42 -13.038 4.032 13.046 1.00 1.00 C ATOM 605 C GLY A 42 -13.740 4.665 11.844 1.00 1.00 C ATOM 606 O GLY A 42 -13.161 5.500 11.150 1.00 1.00 O ATOM 0 H GLY A 42 -11.411 5.312 12.726 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -13.152 2.949 13.009 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.511 4.371 13.968 1.00 1.00 H new ATOM 610 N LYS A 43 -14.979 4.245 11.633 1.00 1.00 N ATOM 611 CA LYS A 43 -15.766 4.760 10.526 1.00 1.00 C ATOM 612 C LYS A 43 -16.170 6.207 10.822 1.00 1.00 C ATOM 613 O LYS A 43 -15.940 7.098 10.007 1.00 1.00 O ATOM 614 CB LYS A 43 -16.953 3.838 10.238 1.00 1.00 C ATOM 615 CG LYS A 43 -16.555 2.369 10.387 1.00 1.00 C ATOM 616 CD LYS A 43 -15.306 2.052 9.562 1.00 1.00 C ATOM 617 CE LYS A 43 -14.160 1.582 10.460 1.00 1.00 C ATOM 618 NZ LYS A 43 -14.628 0.530 11.389 1.00 1.00 N ATOM 0 H LYS A 43 -15.457 3.553 12.211 1.00 1.00 H new ATOM 0 HA LYS A 43 -15.173 4.774 9.612 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.771 4.068 10.921 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.321 4.018 9.228 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -16.368 2.144 11.437 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -17.379 1.731 10.066 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -15.537 1.280 8.828 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -14.998 2.938 9.007 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.344 1.198 9.848 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.764 2.425 11.026 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -13.878 -0.179 11.517 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.861 0.957 12.308 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -15.474 0.071 10.996 1.00 1.00 H new ATOM 631 N GLU A 44 -16.762 6.394 11.992 1.00 1.00 N ATOM 632 CA GLU A 44 -17.199 7.716 12.406 1.00 1.00 C ATOM 633 C GLU A 44 -16.089 8.741 12.164 1.00 1.00 C ATOM 634 O GLU A 44 -16.362 9.878 11.780 1.00 1.00 O ATOM 635 CB GLU A 44 -17.635 7.716 13.872 1.00 1.00 C ATOM 636 CG GLU A 44 -18.254 9.060 14.262 1.00 1.00 C ATOM 637 CD GLU A 44 -19.107 9.621 13.122 1.00 1.00 C ATOM 638 OE1 GLU A 44 -18.626 10.452 12.338 1.00 1.00 O ATOM 639 OE2 GLU A 44 -20.311 9.162 13.066 1.00 1.00 O ATOM 0 H GLU A 44 -16.949 5.652 12.666 1.00 1.00 H new ATOM 0 HA GLU A 44 -18.064 7.996 11.805 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.357 6.917 14.040 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.776 7.509 14.510 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -18.868 8.937 15.154 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -17.465 9.769 14.514 1.00 1.00 H new ATOM 647 N MET A 45 -14.861 8.303 12.399 1.00 1.00 N ATOM 648 CA MET A 45 -13.709 9.168 12.210 1.00 1.00 C ATOM 649 C MET A 45 -13.493 9.480 10.728 1.00 1.00 C ATOM 650 O MET A 45 -13.203 10.619 10.366 1.00 1.00 O ATOM 651 CB MET A 45 -12.462 8.488 12.777 1.00 1.00 C ATOM 652 CG MET A 45 -11.752 9.394 13.786 1.00 1.00 C ATOM 653 SD MET A 45 -12.227 8.946 15.447 1.00 1.00 S ATOM 654 CE MET A 45 -10.747 9.412 16.329 1.00 1.00 C ATOM 0 H MET A 45 -14.639 7.360 12.719 1.00 1.00 H new ATOM 0 HA MET A 45 -13.893 10.106 12.735 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.742 7.551 13.259 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.779 8.237 11.965 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.672 9.304 13.671 1.00 1.00 H new ATOM 0 HG3 MET A 45 -12.007 10.436 13.594 1.00 1.00 H new ATOM 0 HE1 MET A 45 -10.873 9.198 17.390 1.00 1.00 H new ATOM 0 HE2 MET A 45 -9.900 8.846 15.943 1.00 1.00 H new ATOM 0 HE3 MET A 45 -10.563 10.478 16.193 1.00 1.00 H new ATOM 664 N ALA A 46 -13.642 8.447 9.912 1.00 1.00 N ATOM 665 CA ALA A 46 -13.468 8.596 8.477 1.00 1.00 C ATOM 666 C ALA A 46 -14.318 9.768 7.982 1.00 1.00 C ATOM 667 O ALA A 46 -13.795 10.753 7.466 1.00 1.00 O ATOM 668 CB ALA A 46 -13.824 7.282 7.779 1.00 1.00 C ATOM 0 H ALA A 46 -13.881 7.504 10.217 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.428 8.820 8.239 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.693 7.395 6.703 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.171 6.488 8.143 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.861 7.025 7.994 1.00 1.00 H new ATOM 674 N HIS A 47 -15.632 9.624 8.159 1.00 1.00 N ATOM 675 CA HIS A 47 -16.600 10.636 7.751 1.00 1.00 C ATOM 676 C HIS A 47 -16.393 11.918 8.578 1.00 1.00 C ATOM 677 O HIS A 47 -16.982 12.953 8.271 1.00 1.00 O ATOM 678 CB HIS A 47 -18.013 10.041 7.851 1.00 1.00 C ATOM 679 CG HIS A 47 -18.227 8.688 7.213 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.894 7.703 7.822 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.836 8.188 5.994 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.918 6.631 7.014 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.280 6.877 5.871 1.00 1.00 N ATOM 0 H HIS A 47 -16.053 8.801 8.590 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.457 10.929 6.711 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.276 9.965 8.906 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.711 10.745 7.398 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.272 8.729 5.249 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.392 5.692 7.259 1.00 1.00 H new ATOM 0 HE2 HIS A 47 -18.147 6.245 5.082 1.00 1.00 H new ATOM 691 N GLY A 48 -15.560 11.804 9.602 1.00 1.00 N ATOM 692 CA GLY A 48 -15.274 12.938 10.464 1.00 1.00 C ATOM 693 C GLY A 48 -14.149 13.797 9.885 1.00 1.00 C ATOM 694 O GLY A 48 -14.134 14.083 8.688 1.00 1.00 O ATOM 0 H GLY A 48 -15.074 10.943 9.854 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.173 13.543 10.585 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.992 12.584 11.456 1.00 1.00 H new ATOM 698 N LYS A 49 -13.232 14.185 10.760 1.00 1.00 N ATOM 699 CA LYS A 49 -12.106 15.006 10.350 1.00 1.00 C ATOM 700 C LYS A 49 -10.861 14.125 10.215 1.00 1.00 C ATOM 701 O LYS A 49 -9.813 14.435 10.779 1.00 1.00 O ATOM 702 CB LYS A 49 -11.925 16.184 11.309 1.00 1.00 C ATOM 703 CG LYS A 49 -12.548 17.458 10.736 1.00 1.00 C ATOM 704 CD LYS A 49 -12.180 18.677 11.585 1.00 1.00 C ATOM 705 CE LYS A 49 -12.954 18.680 12.904 1.00 1.00 C ATOM 706 NZ LYS A 49 -13.126 20.064 13.401 1.00 1.00 N ATOM 0 H LYS A 49 -13.246 13.946 11.751 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.292 15.448 9.371 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.385 15.950 12.269 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -10.863 16.346 11.495 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -12.205 17.606 9.712 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -13.632 17.351 10.697 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -11.109 18.674 11.788 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -12.396 19.590 11.030 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -13.929 18.215 12.761 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -12.422 18.084 13.646 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -13.653 20.048 14.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -12.193 20.496 13.556 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -13.653 20.622 12.699 1.00 1.00 H new ATOM 719 N GLY A 50 -11.019 13.045 9.464 1.00 1.00 N ATOM 720 CA GLY A 50 -9.922 12.118 9.247 1.00 1.00 C ATOM 721 C GLY A 50 -10.082 11.379 7.917 1.00 1.00 C ATOM 722 O GLY A 50 -9.593 10.261 7.760 1.00 1.00 O ATOM 0 H GLY A 50 -11.890 12.791 8.998 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.976 12.660 9.254 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.883 11.398 10.064 1.00 1.00 H new ATOM 726 N CYS A 51 -10.769 12.034 6.992 1.00 1.00 N ATOM 727 CA CYS A 51 -11.000 11.454 5.680 1.00 1.00 C ATOM 728 C CYS A 51 -11.773 12.469 4.836 1.00 1.00 C ATOM 729 O CYS A 51 -11.234 13.029 3.883 1.00 1.00 O ATOM 730 CB CYS A 51 -11.731 10.114 5.775 1.00 1.00 C ATOM 731 SG CYS A 51 -11.196 8.860 4.555 1.00 1.00 S ATOM 0 H CYS A 51 -11.173 12.961 7.126 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.045 11.238 5.201 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.589 9.709 6.777 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.800 10.289 5.650 1.00 1.00 H new ATOM 0 HG CYS A 51 -11.878 7.767 4.728 1.00 1.00 H new ATOM 736 N LYS A 52 -13.026 12.673 5.216 1.00 1.00 N ATOM 737 CA LYS A 52 -13.880 13.611 4.506 1.00 1.00 C ATOM 738 C LYS A 52 -13.723 15.003 5.120 1.00 1.00 C ATOM 739 O LYS A 52 -13.354 15.952 4.430 1.00 1.00 O ATOM 740 CB LYS A 52 -15.325 13.108 4.483 1.00 1.00 C ATOM 741 CG LYS A 52 -16.220 14.049 3.673 1.00 1.00 C ATOM 742 CD LYS A 52 -17.234 14.752 4.576 1.00 1.00 C ATOM 743 CE LYS A 52 -18.527 13.940 4.686 1.00 1.00 C ATOM 744 NZ LYS A 52 -19.648 14.805 5.112 1.00 1.00 N ATOM 0 H LYS A 52 -13.470 12.205 6.006 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.577 13.687 3.462 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.359 12.107 4.052 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.703 13.029 5.502 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.606 14.791 3.163 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -16.744 13.484 2.902 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -16.805 14.895 5.568 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -17.455 15.742 4.178 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -18.759 13.482 3.724 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.394 13.129 5.402 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -20.517 14.238 5.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -19.432 15.222 6.040 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -19.785 15.564 4.415 1.00 1.00 H new ATOM 757 N GLY A 53 -14.011 15.081 6.411 1.00 1.00 N ATOM 758 CA GLY A 53 -13.907 16.343 7.125 1.00 1.00 C ATOM 759 C GLY A 53 -12.798 17.216 6.538 1.00 1.00 C ATOM 760 O GLY A 53 -13.000 18.406 6.297 1.00 1.00 O ATOM 0 H GLY A 53 -14.316 14.292 6.981 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -14.858 16.873 7.073 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.705 16.153 8.179 1.00 1.00 H new ATOM 764 N CYS A 54 -11.648 16.593 6.322 1.00 1.00 N ATOM 765 CA CYS A 54 -10.506 17.299 5.766 1.00 1.00 C ATOM 766 C CYS A 54 -10.955 18.006 4.486 1.00 1.00 C ATOM 767 O CYS A 54 -10.999 19.232 4.425 1.00 1.00 O ATOM 768 CB CYS A 54 -9.327 16.357 5.515 1.00 1.00 C ATOM 769 SG CYS A 54 -7.820 17.012 6.323 1.00 1.00 S ATOM 0 H CYS A 54 -11.483 15.607 6.522 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.149 18.039 6.482 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.555 15.364 5.903 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.158 16.250 4.444 1.00 1.00 H new ATOM 0 HG CYS A 54 -6.825 16.204 6.106 1.00 1.00 H new ATOM 774 N HIS A 55 -11.282 17.194 3.479 1.00 1.00 N ATOM 775 CA HIS A 55 -11.733 17.685 2.182 1.00 1.00 C ATOM 776 C HIS A 55 -12.785 18.791 2.380 1.00 1.00 C ATOM 777 O HIS A 55 -12.716 19.833 1.731 1.00 1.00 O ATOM 778 CB HIS A 55 -12.218 16.494 1.342 1.00 1.00 C ATOM 779 CG HIS A 55 -11.309 15.288 1.283 1.00 1.00 C ATOM 780 ND1 HIS A 55 -11.744 14.047 1.522 1.00 1.00 N ATOM 781 CD2 HIS A 55 -9.968 15.176 1.004 1.00 1.00 C ATOM 782 CE1 HIS A 55 -10.714 13.195 1.396 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.593 13.839 1.077 1.00 1.00 N ATOM 0 H HIS A 55 -11.240 16.177 3.543 1.00 1.00 H new ATOM 0 HA HIS A 55 -10.919 18.149 1.626 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.184 16.173 1.733 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.387 16.843 0.323 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.309 15.998 0.765 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -10.785 12.126 1.535 1.00 1.00 H new ATOM 0 HE2 HIS A 55 -8.667 13.441 0.921 1.00 1.00 H new ATOM 791 N GLU A 56 -13.725 18.524 3.275 1.00 1.00 N ATOM 792 CA GLU A 56 -14.779 19.482 3.560 1.00 1.00 C ATOM 793 C GLU A 56 -14.178 20.816 4.008 1.00 1.00 C ATOM 794 O GLU A 56 -14.785 21.869 3.821 1.00 1.00 O ATOM 795 CB GLU A 56 -15.747 18.937 4.612 1.00 1.00 C ATOM 796 CG GLU A 56 -16.655 20.045 5.149 1.00 1.00 C ATOM 797 CD GLU A 56 -17.519 19.533 6.304 1.00 1.00 C ATOM 798 OE1 GLU A 56 -18.715 19.267 6.113 1.00 1.00 O ATOM 799 OE2 GLU A 56 -16.905 19.415 7.433 1.00 1.00 O ATOM 0 H GLU A 56 -13.778 17.658 3.812 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.346 19.650 2.644 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.354 18.144 4.176 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.185 18.493 5.433 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.049 20.885 5.488 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -17.295 20.416 4.348 1.00 1.00 H new ATOM 807 N GLU A 57 -12.991 20.727 4.591 1.00 1.00 N ATOM 808 CA GLU A 57 -12.300 21.913 5.066 1.00 1.00 C ATOM 809 C GLU A 57 -11.293 22.397 4.021 1.00 1.00 C ATOM 810 O GLU A 57 -11.287 23.572 3.656 1.00 1.00 O ATOM 811 CB GLU A 57 -11.613 21.647 6.408 1.00 1.00 C ATOM 812 CG GLU A 57 -12.642 21.444 7.520 1.00 1.00 C ATOM 813 CD GLU A 57 -11.964 21.011 8.822 1.00 1.00 C ATOM 814 OE1 GLU A 57 -12.270 21.558 9.892 1.00 1.00 O ATOM 815 OE2 GLU A 57 -11.091 20.070 8.695 1.00 1.00 O ATOM 0 H GLU A 57 -12.491 19.852 4.745 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.037 22.700 5.222 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -10.980 20.763 6.328 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.961 22.484 6.659 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -13.194 22.370 7.683 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -13.368 20.690 7.216 1.00 1.00 H new ATOM 823 N MET A 58 -10.466 21.467 3.568 1.00 1.00 N ATOM 824 CA MET A 58 -9.457 21.784 2.571 1.00 1.00 C ATOM 825 C MET A 58 -10.104 22.231 1.259 1.00 1.00 C ATOM 826 O MET A 58 -9.459 22.873 0.431 1.00 1.00 O ATOM 827 CB MET A 58 -8.587 20.551 2.317 1.00 1.00 C ATOM 828 CG MET A 58 -7.100 20.911 2.366 1.00 1.00 C ATOM 829 SD MET A 58 -6.114 19.425 2.436 1.00 1.00 S ATOM 830 CE MET A 58 -5.105 19.789 3.862 1.00 1.00 C ATOM 0 H MET A 58 -10.474 20.494 3.873 1.00 1.00 H new ATOM 0 HA MET A 58 -8.844 22.602 2.949 1.00 1.00 H new ATOM 0 HB2 MET A 58 -8.805 19.787 3.064 1.00 1.00 H new ATOM 0 HB3 MET A 58 -8.830 20.124 1.344 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.830 21.495 1.487 1.00 1.00 H new ATOM 0 HG3 MET A 58 -6.897 21.534 3.237 1.00 1.00 H new ATOM 0 HE1 MET A 58 -4.425 18.957 4.049 1.00 1.00 H new ATOM 0 HE2 MET A 58 -4.528 20.695 3.678 1.00 1.00 H new ATOM 0 HE3 MET A 58 -5.745 19.937 4.732 1.00 1.00 H new ATOM 840 N LYS A 59 -11.372 21.875 1.109 1.00 1.00 N ATOM 841 CA LYS A 59 -12.113 22.231 -0.088 1.00 1.00 C ATOM 842 C LYS A 59 -11.480 21.542 -1.299 1.00 1.00 C ATOM 843 O LYS A 59 -11.665 21.979 -2.434 1.00 1.00 O ATOM 844 CB LYS A 59 -12.208 23.753 -0.226 1.00 1.00 C ATOM 845 CG LYS A 59 -13.126 24.142 -1.387 1.00 1.00 C ATOM 846 CD LYS A 59 -14.405 24.807 -0.874 1.00 1.00 C ATOM 847 CE LYS A 59 -15.307 25.228 -2.036 1.00 1.00 C ATOM 848 NZ LYS A 59 -16.555 24.432 -2.038 1.00 1.00 N ATOM 0 H LYS A 59 -11.905 21.343 1.798 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.141 21.875 -0.020 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -12.586 24.183 0.701 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -11.214 24.170 -0.388 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -12.602 24.823 -2.058 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -13.380 23.255 -1.967 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -14.942 24.117 -0.223 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -14.150 25.679 -0.272 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -15.545 26.288 -1.954 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -14.780 25.092 -2.981 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -17.156 24.730 -2.833 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -16.323 23.423 -2.139 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -17.064 24.582 -1.144 1.00 1.00 H new ATOM 861 N LYS A 60 -10.749 20.475 -1.016 1.00 1.00 N ATOM 862 CA LYS A 60 -10.087 19.721 -2.068 1.00 1.00 C ATOM 863 C LYS A 60 -10.207 18.225 -1.770 1.00 1.00 C ATOM 864 O LYS A 60 -9.889 17.781 -0.668 1.00 1.00 O ATOM 865 CB LYS A 60 -8.644 20.199 -2.245 1.00 1.00 C ATOM 866 CG LYS A 60 -7.939 20.326 -0.893 1.00 1.00 C ATOM 867 CD LYS A 60 -6.457 20.659 -1.077 1.00 1.00 C ATOM 868 CE LYS A 60 -6.280 21.998 -1.795 1.00 1.00 C ATOM 869 NZ LYS A 60 -5.459 21.828 -3.015 1.00 1.00 N ATOM 0 H LYS A 60 -10.600 20.114 -0.074 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.576 19.896 -3.027 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.100 19.498 -2.878 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.636 21.162 -2.755 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.419 21.104 -0.300 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.040 19.394 -0.337 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.966 20.696 -0.105 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.972 19.869 -1.649 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.255 22.407 -2.060 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.804 22.716 -1.127 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -5.349 22.747 -3.490 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -4.522 21.458 -2.754 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -5.928 21.159 -3.659 1.00 1.00 H new ATOM 882 N GLY A 61 -10.667 17.489 -2.771 1.00 1.00 N ATOM 883 CA GLY A 61 -10.832 16.052 -2.629 1.00 1.00 C ATOM 884 C GLY A 61 -12.289 15.644 -2.854 1.00 1.00 C ATOM 885 O GLY A 61 -13.195 16.471 -2.931 1.00 1.00 O ATOM 0 H GLY A 61 -10.931 17.861 -3.684 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.191 15.536 -3.344 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.513 15.742 -1.634 1.00 1.00 H new ATOM 889 N PRO A 62 -12.496 14.329 -2.958 1.00 1.00 N ATOM 890 CA PRO A 62 -13.793 13.722 -3.171 1.00 1.00 C ATOM 891 C PRO A 62 -14.558 13.678 -1.855 1.00 1.00 C ATOM 892 O PRO A 62 -13.934 13.488 -0.812 1.00 1.00 O ATOM 893 CB PRO A 62 -13.488 12.313 -3.674 1.00 1.00 C ATOM 894 CG PRO A 62 -11.884 12.228 -3.840 1.00 1.00 C ATOM 895 CD PRO A 62 -11.455 13.329 -2.872 1.00 1.00 C ATOM 0 HA PRO A 62 -14.409 14.275 -3.880 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -13.846 11.563 -2.969 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -13.988 12.123 -4.624 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -11.488 11.251 -3.561 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.560 12.423 -4.862 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.359 12.946 -1.856 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.486 13.743 -3.150 1.00 1.00 H new ATOM 903 N THR A 63 -15.870 13.851 -1.925 1.00 1.00 N ATOM 904 CA THR A 63 -16.692 13.828 -0.727 1.00 1.00 C ATOM 905 C THR A 63 -17.787 12.768 -0.853 1.00 1.00 C ATOM 906 O THR A 63 -18.179 12.155 0.139 1.00 1.00 O ATOM 907 CB THR A 63 -17.236 15.240 -0.500 1.00 1.00 C ATOM 908 OG1 THR A 63 -17.596 15.687 -1.804 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.149 16.222 -0.057 1.00 1.00 C ATOM 0 H THR A 63 -16.384 14.008 -2.792 1.00 1.00 H new ATOM 0 HA THR A 63 -16.108 13.545 0.149 1.00 1.00 H new ATOM 0 HB THR A 63 -18.025 15.208 0.251 1.00 1.00 H new ATOM 0 HG1 THR A 63 -17.960 16.595 -1.750 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.588 17.209 0.090 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.707 15.878 0.878 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.376 16.279 -0.824 1.00 1.00 H new ATOM 915 N LYS A 64 -18.251 12.583 -2.080 1.00 1.00 N ATOM 916 CA LYS A 64 -19.292 11.608 -2.348 1.00 1.00 C ATOM 917 C LYS A 64 -18.831 10.229 -1.868 1.00 1.00 C ATOM 918 O LYS A 64 -17.635 9.994 -1.707 1.00 1.00 O ATOM 919 CB LYS A 64 -19.693 11.642 -3.824 1.00 1.00 C ATOM 920 CG LYS A 64 -20.521 12.890 -4.139 1.00 1.00 C ATOM 921 CD LYS A 64 -22.015 12.562 -4.176 1.00 1.00 C ATOM 922 CE LYS A 64 -22.833 13.642 -3.466 1.00 1.00 C ATOM 923 NZ LYS A 64 -24.070 13.937 -4.222 1.00 1.00 N ATOM 0 H LYS A 64 -17.924 13.093 -2.900 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.196 11.855 -1.790 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.799 11.627 -4.448 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -20.267 10.749 -4.069 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -20.332 13.656 -3.387 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.212 13.303 -5.099 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -22.345 12.472 -5.211 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -22.191 11.597 -3.701 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -23.086 13.311 -2.459 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -22.237 14.549 -3.364 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -24.613 14.672 -3.726 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -23.823 14.273 -5.175 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -24.645 13.074 -4.298 1.00 1.00 H new ATOM 936 N CYS A 65 -19.804 9.357 -1.654 1.00 1.00 N ATOM 937 CA CYS A 65 -19.512 8.009 -1.197 1.00 1.00 C ATOM 938 C CYS A 65 -18.825 7.253 -2.336 1.00 1.00 C ATOM 939 O CYS A 65 -17.700 6.781 -2.182 1.00 1.00 O ATOM 940 CB CYS A 65 -20.774 7.290 -0.714 1.00 1.00 C ATOM 941 SG CYS A 65 -22.125 8.396 -0.167 1.00 1.00 S ATOM 0 H CYS A 65 -20.795 9.557 -1.788 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.845 8.051 -0.336 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.145 6.657 -1.520 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.506 6.631 0.112 1.00 1.00 H new ATOM 0 HG CYS A 65 -23.141 7.682 0.217 1.00 1.00 H new ATOM 946 N GLY A 66 -19.531 7.161 -3.453 1.00 1.00 N ATOM 947 CA GLY A 66 -19.004 6.471 -4.618 1.00 1.00 C ATOM 948 C GLY A 66 -17.564 6.904 -4.906 1.00 1.00 C ATOM 949 O GLY A 66 -16.817 6.184 -5.566 1.00 1.00 O ATOM 0 H GLY A 66 -20.464 7.553 -3.576 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.038 5.394 -4.454 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.631 6.681 -5.484 1.00 1.00 H new ATOM 953 N GLU A 67 -17.220 8.078 -4.397 1.00 1.00 N ATOM 954 CA GLU A 67 -15.885 8.614 -4.592 1.00 1.00 C ATOM 955 C GLU A 67 -14.892 7.920 -3.658 1.00 1.00 C ATOM 956 O GLU A 67 -13.711 7.798 -3.981 1.00 1.00 O ATOM 957 CB GLU A 67 -15.866 10.130 -4.383 1.00 1.00 C ATOM 958 CG GLU A 67 -16.658 10.845 -5.480 1.00 1.00 C ATOM 959 CD GLU A 67 -15.833 10.960 -6.764 1.00 1.00 C ATOM 960 OE1 GLU A 67 -15.379 9.940 -7.303 1.00 1.00 O ATOM 961 OE2 GLU A 67 -15.669 12.162 -7.201 1.00 1.00 O ATOM 0 H GLU A 67 -17.843 8.672 -3.850 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.584 8.418 -5.621 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.289 10.372 -3.408 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.836 10.488 -4.381 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.579 10.299 -5.683 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.945 11.839 -5.137 1.00 1.00 H new ATOM 969 N CYS A 68 -15.406 7.483 -2.519 1.00 1.00 N ATOM 970 CA CYS A 68 -14.580 6.804 -1.535 1.00 1.00 C ATOM 971 C CYS A 68 -14.875 5.305 -1.613 1.00 1.00 C ATOM 972 O CYS A 68 -13.961 4.484 -1.662 1.00 1.00 O ATOM 973 CB CYS A 68 -14.806 7.358 -0.127 1.00 1.00 C ATOM 974 SG CYS A 68 -13.566 8.652 0.244 1.00 1.00 S ATOM 0 H CYS A 68 -16.386 7.586 -2.255 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.527 6.978 -1.758 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.811 7.773 -0.048 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.734 6.554 0.605 1.00 1.00 H new ATOM 0 HG CYS A 68 -13.769 9.117 1.441 1.00 1.00 H new ATOM 979 N HIS A 69 -16.169 4.985 -1.621 1.00 1.00 N ATOM 980 CA HIS A 69 -16.643 3.607 -1.692 1.00 1.00 C ATOM 981 C HIS A 69 -16.910 3.223 -3.159 1.00 1.00 C ATOM 982 O HIS A 69 -17.261 4.080 -3.968 1.00 1.00 O ATOM 983 CB HIS A 69 -17.860 3.453 -0.767 1.00 1.00 C ATOM 984 CG HIS A 69 -17.640 3.749 0.699 1.00 1.00 C ATOM 985 ND1 HIS A 69 -16.869 2.986 1.480 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.120 4.755 1.502 1.00 1.00 C ATOM 987 CE1 HIS A 69 -16.869 3.497 2.721 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.626 4.591 2.790 1.00 1.00 N ATOM 0 H HIS A 69 -16.918 5.677 -1.578 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.888 2.906 -1.336 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.650 4.109 -1.132 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.228 2.431 -0.856 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.363 2.152 1.182 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.778 5.549 1.182 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.326 3.076 3.555 1.00 1.00 H new ATOM 996 N LYS A 70 -16.736 1.942 -3.450 1.00 1.00 N ATOM 997 CA LYS A 70 -16.956 1.445 -4.797 1.00 1.00 C ATOM 998 C LYS A 70 -17.576 0.048 -4.725 1.00 1.00 C ATOM 999 O LYS A 70 -16.982 -0.871 -4.164 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.659 1.500 -5.606 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.807 0.749 -6.932 1.00 1.00 C ATOM 1002 CD LYS A 70 -14.462 0.637 -7.652 1.00 1.00 C ATOM 1003 CE LYS A 70 -14.606 -0.129 -8.967 1.00 1.00 C ATOM 1004 NZ LYS A 70 -13.510 -1.112 -9.118 1.00 1.00 N ATOM 0 H LYS A 70 -16.445 1.234 -2.776 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.664 2.082 -5.328 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -15.391 2.539 -5.800 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -14.846 1.064 -5.026 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -16.208 -0.247 -6.747 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -16.523 1.268 -7.570 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -14.067 1.634 -7.849 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -13.742 0.130 -7.009 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -15.568 -0.641 -8.993 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -14.594 0.569 -9.804 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -13.624 -1.623 -10.017 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -12.596 -0.616 -9.115 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -13.539 -1.789 -8.329 1.00 1.00 H new ATOM 1017 N LYS A 71 -18.763 -0.068 -5.302 1.00 1.00 N ATOM 1018 CA LYS A 71 -19.472 -1.338 -5.311 1.00 1.00 C ATOM 1019 C LYS A 71 -19.115 -2.106 -6.584 1.00 1.00 C ATOM 1020 O LYS A 71 -17.955 -2.457 -6.798 1.00 1.00 O ATOM 1021 CB LYS A 71 -20.973 -1.114 -5.128 1.00 1.00 C ATOM 1022 CG LYS A 71 -21.673 -2.409 -4.712 1.00 1.00 C ATOM 1023 CD LYS A 71 -22.666 -2.157 -3.575 1.00 1.00 C ATOM 1024 CE LYS A 71 -23.748 -3.238 -3.542 1.00 1.00 C ATOM 1025 NZ LYS A 71 -25.094 -2.627 -3.631 1.00 1.00 N ATOM 0 H LYS A 71 -19.252 0.697 -5.767 1.00 1.00 H new ATOM 0 HA LYS A 71 -19.161 -1.955 -4.468 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -21.140 -0.347 -4.372 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -21.405 -0.745 -6.058 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -22.196 -2.835 -5.568 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -20.931 -3.142 -4.395 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -22.136 -2.138 -2.622 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -23.129 -1.178 -3.702 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -23.602 -3.932 -4.369 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -23.665 -3.816 -2.622 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -25.817 -3.374 -3.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -25.236 -1.982 -2.828 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -25.176 -2.095 -4.521 1.00 1.00 H new