USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 399 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 NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 61 ZNZN :(H bumps) USER MOD Set 1.1: A 25 LYS NZ :NH3+ 149:sc= -0.0309 (180deg=0) USER MOD Set 1.2: A 27 MET CE :methyl 161:sc= -0.0848 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -21:sc= 0.574 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 131:sc= 0.359 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -12.1! C(o=-12!,f=-11!) USER MOD Single : A 55 THR OG1 : rot 83:sc= 0.707 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -12.664 1.918 18.889 1.00 0.00 N ATOM 2 CA THR A 14 -13.198 2.809 17.822 1.00 0.00 C ATOM 3 C THR A 14 -12.040 3.549 17.149 1.00 0.00 C ATOM 4 O THR A 14 -11.363 4.351 17.761 1.00 0.00 O ATOM 5 CB THR A 14 -14.160 3.825 18.441 1.00 0.00 C ATOM 6 OG1 THR A 14 -13.676 4.217 19.718 1.00 0.00 O ATOM 7 CG2 THR A 14 -15.546 3.195 18.590 1.00 0.00 C ATOM 0 HA THR A 14 -13.728 2.211 17.080 1.00 0.00 H new ATOM 0 HB THR A 14 -14.229 4.700 17.794 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.060 3.535 20.058 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.230 3.920 19.031 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.917 2.896 17.610 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.480 2.319 19.236 1.00 0.00 H new ATOM 17 N LEU A 15 -11.807 3.286 15.891 1.00 0.00 N ATOM 18 CA LEU A 15 -10.693 3.975 15.180 1.00 0.00 C ATOM 19 C LEU A 15 -11.208 4.544 13.855 1.00 0.00 C ATOM 20 O LEU A 15 -12.151 4.031 13.288 1.00 0.00 O ATOM 21 CB LEU A 15 -9.569 2.974 14.902 1.00 0.00 C ATOM 22 CG LEU A 15 -8.579 2.981 16.067 1.00 0.00 C ATOM 23 CD1 LEU A 15 -8.248 1.541 16.463 1.00 0.00 C ATOM 24 CD2 LEU A 15 -7.296 3.698 15.640 1.00 0.00 C ATOM 0 H LEU A 15 -12.340 2.625 15.326 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.312 4.786 15.801 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.983 1.974 14.769 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.058 3.234 13.975 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.022 3.500 16.917 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.542 1.545 17.294 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.161 1.028 16.765 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.805 1.023 15.613 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.589 3.704 16.470 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.854 3.178 14.790 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.530 4.724 15.355 1.00 0.00 H new ATOM 36 N PRO A 16 -10.568 5.592 13.403 1.00 0.00 N ATOM 37 CA PRO A 16 -10.932 6.262 12.143 1.00 0.00 C ATOM 38 C PRO A 16 -10.410 5.464 10.945 1.00 0.00 C ATOM 39 O PRO A 16 -9.307 4.956 10.959 1.00 0.00 O ATOM 40 CB PRO A 16 -10.236 7.621 12.244 1.00 0.00 C ATOM 41 CG PRO A 16 -9.078 7.444 13.255 1.00 0.00 C ATOM 42 CD PRO A 16 -9.421 6.205 14.104 1.00 0.00 C ATOM 0 HA PRO A 16 -12.009 6.353 11.999 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.858 7.937 11.272 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.932 8.390 12.581 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.129 7.308 12.737 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.974 8.328 13.884 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.577 5.517 14.164 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.680 6.482 15.126 1.00 0.00 H new ATOM 50 N ARG A 17 -11.194 5.351 9.909 1.00 0.00 N ATOM 51 CA ARG A 17 -10.743 4.588 8.714 1.00 0.00 C ATOM 52 C ARG A 17 -11.246 5.279 7.447 1.00 0.00 C ATOM 53 O ARG A 17 -12.059 4.747 6.717 1.00 0.00 O ATOM 54 CB ARG A 17 -11.303 3.164 8.778 1.00 0.00 C ATOM 55 CG ARG A 17 -10.336 2.202 8.084 1.00 0.00 C ATOM 56 CD ARG A 17 -9.376 1.609 9.118 1.00 0.00 C ATOM 57 NE ARG A 17 -8.009 2.161 8.898 1.00 0.00 N ATOM 58 CZ ARG A 17 -6.994 1.669 9.554 1.00 0.00 C ATOM 59 NH1 ARG A 17 -6.769 2.042 10.784 1.00 0.00 N ATOM 60 NH2 ARG A 17 -6.203 0.806 8.979 1.00 0.00 N ATOM 0 H ARG A 17 -12.128 5.755 9.839 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.654 4.550 8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.447 2.865 9.816 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.280 3.124 8.296 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.891 1.405 7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.775 2.728 7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.718 1.846 10.126 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.359 0.522 9.034 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.867 2.923 8.235 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.387 2.718 11.233 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.976 1.657 11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.378 0.516 8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.409 0.421 9.491 1.00 0.00 H new ATOM 74 N GLY A 18 -10.769 6.464 7.178 1.00 0.00 N ATOM 75 CA GLY A 18 -11.219 7.190 5.957 1.00 0.00 C ATOM 76 C GLY A 18 -10.406 8.475 5.797 1.00 0.00 C ATOM 77 O GLY A 18 -10.921 9.502 5.401 1.00 0.00 O ATOM 0 H GLY A 18 -10.087 6.961 7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.095 6.557 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.280 7.426 6.032 1.00 0.00 H new ATOM 81 N SER A 19 -9.136 8.428 6.098 1.00 0.00 N ATOM 82 CA SER A 19 -8.293 9.647 5.960 1.00 0.00 C ATOM 83 C SER A 19 -6.836 9.239 5.745 1.00 0.00 C ATOM 84 O SER A 19 -6.124 9.833 4.960 1.00 0.00 O ATOM 85 CB SER A 19 -8.404 10.492 7.229 1.00 0.00 C ATOM 86 OG SER A 19 -8.556 9.634 8.353 1.00 0.00 O ATOM 0 H SER A 19 -8.647 7.598 6.433 1.00 0.00 H new ATOM 0 HA SER A 19 -8.637 10.230 5.105 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.514 11.111 7.347 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.255 11.169 7.156 1.00 0.00 H new ATOM 0 HG SER A 19 -8.626 10.173 9.169 1.00 0.00 H new ATOM 92 N ILE A 20 -6.388 8.229 6.435 1.00 0.00 N ATOM 93 CA ILE A 20 -4.976 7.781 6.270 1.00 0.00 C ATOM 94 C ILE A 20 -4.829 7.059 4.929 1.00 0.00 C ATOM 95 O ILE A 20 -3.816 7.162 4.265 1.00 0.00 O ATOM 96 CB ILE A 20 -4.606 6.832 7.413 1.00 0.00 C ATOM 97 CG1 ILE A 20 -4.380 7.642 8.690 1.00 0.00 C ATOM 98 CG2 ILE A 20 -3.323 6.073 7.063 1.00 0.00 C ATOM 99 CD1 ILE A 20 -5.693 7.763 9.465 1.00 0.00 C ATOM 0 H ILE A 20 -6.938 7.693 7.107 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.311 8.644 6.291 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.417 6.119 7.566 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.625 7.159 9.309 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.001 8.633 8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.064 5.399 7.880 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.479 5.495 6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.511 6.783 6.908 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.527 8.341 10.374 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.436 8.266 8.846 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.053 6.768 9.728 1.00 0.00 H new ATOM 111 N ASP A 21 -5.833 6.333 4.526 1.00 0.00 N ATOM 112 CA ASP A 21 -5.755 5.608 3.227 1.00 0.00 C ATOM 113 C ASP A 21 -5.747 6.622 2.083 1.00 0.00 C ATOM 114 O ASP A 21 -5.212 6.372 1.021 1.00 0.00 O ATOM 115 CB ASP A 21 -6.967 4.685 3.084 1.00 0.00 C ATOM 116 CG ASP A 21 -6.973 3.669 4.228 1.00 0.00 C ATOM 117 OD1 ASP A 21 -5.912 3.411 4.771 1.00 0.00 O ATOM 118 OD2 ASP A 21 -8.040 3.166 4.542 1.00 0.00 O ATOM 0 H ASP A 21 -6.705 6.210 5.040 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.842 5.013 3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.887 5.270 3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.933 4.168 2.125 1.00 0.00 H new ATOM 123 N LYS A 22 -6.334 7.769 2.295 1.00 0.00 N ATOM 124 CA LYS A 22 -6.359 8.803 1.224 1.00 0.00 C ATOM 125 C LYS A 22 -5.152 9.729 1.386 1.00 0.00 C ATOM 126 O LYS A 22 -5.148 10.849 0.916 1.00 0.00 O ATOM 127 CB LYS A 22 -7.647 9.621 1.338 1.00 0.00 C ATOM 128 CG LYS A 22 -7.893 10.377 0.030 1.00 0.00 C ATOM 129 CD LYS A 22 -9.141 11.250 0.171 1.00 0.00 C ATOM 130 CE LYS A 22 -8.770 12.565 0.859 1.00 0.00 C ATOM 131 NZ LYS A 22 -9.972 13.129 1.536 1.00 0.00 N ATOM 0 H LYS A 22 -6.797 8.034 3.164 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.320 8.320 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.489 8.964 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.571 10.324 2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.029 10.996 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.021 9.672 -0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.571 11.450 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.901 10.726 0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.976 12.396 1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.385 13.275 0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.720 14.023 2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.717 13.305 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.320 12.453 2.246 1.00 0.00 H new ATOM 145 N TYR A 23 -4.126 9.269 2.051 1.00 0.00 N ATOM 146 CA TYR A 23 -2.922 10.125 2.244 1.00 0.00 C ATOM 147 C TYR A 23 -1.699 9.240 2.497 1.00 0.00 C ATOM 148 O TYR A 23 -0.869 9.536 3.333 1.00 0.00 O ATOM 149 CB TYR A 23 -3.139 11.046 3.447 1.00 0.00 C ATOM 150 CG TYR A 23 -4.029 12.200 3.046 1.00 0.00 C ATOM 151 CD1 TYR A 23 -3.793 12.880 1.846 1.00 0.00 C ATOM 152 CD2 TYR A 23 -5.089 12.588 3.875 1.00 0.00 C ATOM 153 CE1 TYR A 23 -4.618 13.949 1.474 1.00 0.00 C ATOM 154 CE2 TYR A 23 -5.913 13.656 3.503 1.00 0.00 C ATOM 155 CZ TYR A 23 -5.678 14.337 2.302 1.00 0.00 C ATOM 156 OH TYR A 23 -6.492 15.389 1.935 1.00 0.00 O ATOM 0 H TYR A 23 -4.070 8.340 2.468 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.758 10.725 1.349 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.594 10.490 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.181 11.420 3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.975 12.581 1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.270 12.063 4.801 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.436 14.474 0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.730 13.955 4.142 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.179 15.526 2.621 1.00 0.00 H new ATOM 166 N VAL A 24 -1.582 8.155 1.781 1.00 0.00 N ATOM 167 CA VAL A 24 -0.413 7.253 1.982 1.00 0.00 C ATOM 168 C VAL A 24 0.264 6.989 0.636 1.00 0.00 C ATOM 169 O VAL A 24 -0.082 6.064 -0.071 1.00 0.00 O ATOM 170 CB VAL A 24 -0.886 5.929 2.582 1.00 0.00 C ATOM 171 CG1 VAL A 24 0.274 4.931 2.599 1.00 0.00 C ATOM 172 CG2 VAL A 24 -1.375 6.165 4.013 1.00 0.00 C ATOM 0 H VAL A 24 -2.245 7.855 1.066 1.00 0.00 H new ATOM 0 HA VAL A 24 0.297 7.726 2.661 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.701 5.528 1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.064 3.987 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.624 4.763 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.089 5.331 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.713 5.222 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.559 6.566 4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.202 6.875 4.003 1.00 0.00 H new ATOM 182 N LYS A 25 1.228 7.793 0.276 1.00 0.00 N ATOM 183 CA LYS A 25 1.925 7.584 -1.024 1.00 0.00 C ATOM 184 C LYS A 25 2.788 6.323 -0.940 1.00 0.00 C ATOM 185 O LYS A 25 3.795 6.293 -0.263 1.00 0.00 O ATOM 186 CB LYS A 25 2.813 8.793 -1.327 1.00 0.00 C ATOM 187 CG LYS A 25 3.600 8.539 -2.614 1.00 0.00 C ATOM 188 CD LYS A 25 2.905 9.239 -3.783 1.00 0.00 C ATOM 189 CE LYS A 25 2.112 8.213 -4.595 1.00 0.00 C ATOM 190 NZ LYS A 25 2.543 8.267 -6.019 1.00 0.00 N ATOM 0 H LYS A 25 1.562 8.584 0.826 1.00 0.00 H new ATOM 0 HA LYS A 25 1.188 7.468 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.202 9.689 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.498 8.971 -0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.620 8.910 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.668 7.468 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.239 10.017 -3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.643 9.729 -4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.272 7.213 -4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.044 8.420 -4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.449 7.323 -6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.946 8.942 -6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.536 8.573 -6.070 1.00 0.00 H new ATOM 204 N GLU A 26 2.402 5.283 -1.624 1.00 0.00 N ATOM 205 CA GLU A 26 3.204 4.027 -1.581 1.00 0.00 C ATOM 206 C GLU A 26 3.990 3.886 -2.885 1.00 0.00 C ATOM 207 O GLU A 26 3.424 3.729 -3.949 1.00 0.00 O ATOM 208 CB GLU A 26 2.266 2.829 -1.414 1.00 0.00 C ATOM 209 CG GLU A 26 1.204 2.859 -2.515 1.00 0.00 C ATOM 210 CD GLU A 26 1.250 1.550 -3.305 1.00 0.00 C ATOM 211 OE1 GLU A 26 2.004 1.485 -4.261 1.00 0.00 O ATOM 212 OE2 GLU A 26 0.531 0.634 -2.939 1.00 0.00 O ATOM 0 H GLU A 26 1.568 5.247 -2.210 1.00 0.00 H new ATOM 0 HA GLU A 26 3.897 4.062 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.833 1.899 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.791 2.859 -0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.215 2.997 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.379 3.704 -3.181 1.00 0.00 H new ATOM 219 N MET A 27 5.292 3.948 -2.815 1.00 0.00 N ATOM 220 CA MET A 27 6.112 3.825 -4.053 1.00 0.00 C ATOM 221 C MET A 27 6.647 2.393 -4.181 1.00 0.00 C ATOM 222 O MET A 27 7.195 1.853 -3.236 1.00 0.00 O ATOM 223 CB MET A 27 7.286 4.799 -3.977 1.00 0.00 C ATOM 224 CG MET A 27 6.762 6.205 -3.680 1.00 0.00 C ATOM 225 SD MET A 27 7.225 7.318 -5.032 1.00 0.00 S ATOM 226 CE MET A 27 5.757 7.051 -6.055 1.00 0.00 C ATOM 0 H MET A 27 5.823 4.079 -1.954 1.00 0.00 H new ATOM 0 HA MET A 27 5.495 4.057 -4.921 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.982 4.487 -3.199 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.837 4.796 -4.917 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.678 6.185 -3.566 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.175 6.567 -2.738 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.656 7.870 -6.768 1.00 0.00 H new ATOM 0 HE2 MET A 27 5.856 6.110 -6.596 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.873 7.012 -5.419 1.00 0.00 H new ATOM 236 N PRO A 28 6.484 1.821 -5.351 1.00 0.00 N ATOM 237 CA PRO A 28 6.947 0.451 -5.628 1.00 0.00 C ATOM 238 C PRO A 28 8.469 0.431 -5.742 1.00 0.00 C ATOM 239 O PRO A 28 9.089 -0.614 -5.769 1.00 0.00 O ATOM 240 CB PRO A 28 6.277 0.100 -6.959 1.00 0.00 C ATOM 241 CG PRO A 28 5.931 1.446 -7.635 1.00 0.00 C ATOM 242 CD PRO A 28 5.848 2.489 -6.507 1.00 0.00 C ATOM 0 HA PRO A 28 6.693 -0.262 -4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.944 -0.491 -7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.379 -0.497 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.693 1.722 -8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.985 1.379 -8.173 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.371 3.407 -6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.815 2.762 -6.291 1.00 0.00 H new ATOM 250 N ASP A 29 9.077 1.584 -5.787 1.00 0.00 N ATOM 251 CA ASP A 29 10.557 1.638 -5.872 1.00 0.00 C ATOM 252 C ASP A 29 11.125 1.619 -4.452 1.00 0.00 C ATOM 253 O ASP A 29 12.280 1.919 -4.235 1.00 0.00 O ATOM 254 CB ASP A 29 10.991 2.920 -6.590 1.00 0.00 C ATOM 255 CG ASP A 29 10.167 4.104 -6.082 1.00 0.00 C ATOM 256 OD1 ASP A 29 9.058 4.277 -6.559 1.00 0.00 O ATOM 257 OD2 ASP A 29 10.663 4.821 -5.230 1.00 0.00 O ATOM 0 H ASP A 29 8.609 2.490 -5.768 1.00 0.00 H new ATOM 0 HA ASP A 29 10.930 0.782 -6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.052 3.103 -6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.858 2.808 -7.666 1.00 0.00 H new ATOM 262 N LYS A 30 10.306 1.269 -3.487 1.00 0.00 N ATOM 263 CA LYS A 30 10.752 1.216 -2.070 1.00 0.00 C ATOM 264 C LYS A 30 10.749 2.625 -1.481 1.00 0.00 C ATOM 265 O LYS A 30 11.762 3.126 -1.037 1.00 0.00 O ATOM 266 CB LYS A 30 12.152 0.620 -1.989 1.00 0.00 C ATOM 267 CG LYS A 30 12.194 -0.700 -2.762 1.00 0.00 C ATOM 268 CD LYS A 30 13.181 -1.658 -2.091 1.00 0.00 C ATOM 269 CE LYS A 30 14.589 -1.401 -2.631 1.00 0.00 C ATOM 270 NZ LYS A 30 15.559 -2.291 -1.932 1.00 0.00 N ATOM 0 H LYS A 30 9.329 1.014 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 30 10.068 0.587 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.880 1.318 -2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.427 0.452 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.201 -1.147 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.493 -0.519 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.163 -1.517 -1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.889 -2.691 -2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.618 -1.586 -3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.863 -0.357 -2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.517 -2.117 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.538 -2.094 -0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.300 -3.285 -2.098 1.00 0.00 H new ATOM 284 N THR A 31 9.613 3.266 -1.472 1.00 0.00 N ATOM 285 CA THR A 31 9.543 4.641 -0.908 1.00 0.00 C ATOM 286 C THR A 31 8.148 4.894 -0.337 1.00 0.00 C ATOM 287 O THR A 31 7.267 4.065 -0.431 1.00 0.00 O ATOM 288 CB THR A 31 9.839 5.660 -2.004 1.00 0.00 C ATOM 289 OG1 THR A 31 10.761 5.102 -2.930 1.00 0.00 O ATOM 290 CG2 THR A 31 10.438 6.924 -1.384 1.00 0.00 C ATOM 0 H THR A 31 8.732 2.897 -1.830 1.00 0.00 H new ATOM 0 HA THR A 31 10.281 4.741 -0.112 1.00 0.00 H new ATOM 0 HB THR A 31 8.914 5.916 -2.520 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.428 5.232 -3.842 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.648 7.650 -2.169 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.730 7.352 -0.674 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.363 6.672 -0.866 1.00 0.00 H new ATOM 298 N PHE A 32 7.948 6.038 0.254 1.00 0.00 N ATOM 299 CA PHE A 32 6.617 6.360 0.839 1.00 0.00 C ATOM 300 C PHE A 32 6.534 7.867 1.088 1.00 0.00 C ATOM 301 O PHE A 32 7.531 8.518 1.328 1.00 0.00 O ATOM 302 CB PHE A 32 6.449 5.617 2.166 1.00 0.00 C ATOM 303 CG PHE A 32 5.513 4.449 1.974 1.00 0.00 C ATOM 304 CD1 PHE A 32 4.134 4.624 2.136 1.00 0.00 C ATOM 305 CD2 PHE A 32 6.023 3.191 1.633 1.00 0.00 C ATOM 306 CE1 PHE A 32 3.266 3.541 1.957 1.00 0.00 C ATOM 307 CE2 PHE A 32 5.156 2.108 1.453 1.00 0.00 C ATOM 308 CZ PHE A 32 3.776 2.283 1.615 1.00 0.00 C ATOM 0 H PHE A 32 8.653 6.768 0.358 1.00 0.00 H new ATOM 0 HA PHE A 32 5.829 6.054 0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.417 5.266 2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.054 6.292 2.925 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.740 5.594 2.399 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.087 3.056 1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.202 3.676 2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.551 1.138 1.189 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.106 1.448 1.476 1.00 0.00 H new ATOM 318 N GLU A 33 5.360 8.431 1.030 1.00 0.00 N ATOM 319 CA GLU A 33 5.234 9.896 1.260 1.00 0.00 C ATOM 320 C GLU A 33 3.854 10.221 1.832 1.00 0.00 C ATOM 321 O GLU A 33 2.890 10.367 1.106 1.00 0.00 O ATOM 322 CB GLU A 33 5.419 10.633 -0.068 1.00 0.00 C ATOM 323 CG GLU A 33 6.635 11.557 0.023 1.00 0.00 C ATOM 324 CD GLU A 33 7.322 11.631 -1.342 1.00 0.00 C ATOM 325 OE1 GLU A 33 6.738 12.204 -2.248 1.00 0.00 O ATOM 326 OE2 GLU A 33 8.420 11.112 -1.459 1.00 0.00 O ATOM 0 H GLU A 33 4.486 7.943 0.834 1.00 0.00 H new ATOM 0 HA GLU A 33 5.997 10.214 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.554 9.916 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.526 11.213 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.326 12.553 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.332 11.185 0.774 1.00 0.00 H new ATOM 333 N CYS A 34 3.753 10.352 3.125 1.00 0.00 N ATOM 334 CA CYS A 34 2.437 10.691 3.737 1.00 0.00 C ATOM 335 C CYS A 34 1.866 11.904 2.999 1.00 0.00 C ATOM 336 O CYS A 34 2.344 13.011 3.144 1.00 0.00 O ATOM 337 CB CYS A 34 2.652 11.026 5.215 1.00 0.00 C ATOM 338 SG CYS A 34 1.067 11.137 6.083 1.00 0.00 S ATOM 0 H CYS A 34 4.523 10.239 3.784 1.00 0.00 H new ATOM 0 HA CYS A 34 1.743 9.854 3.659 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.274 10.261 5.680 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.188 11.971 5.305 1.00 0.00 H new ATOM 343 N LEU A 35 0.865 11.702 2.185 1.00 0.00 N ATOM 344 CA LEU A 35 0.288 12.841 1.412 1.00 0.00 C ATOM 345 C LEU A 35 -0.610 13.705 2.304 1.00 0.00 C ATOM 346 O LEU A 35 -1.305 14.579 1.826 1.00 0.00 O ATOM 347 CB LEU A 35 -0.536 12.297 0.244 1.00 0.00 C ATOM 348 CG LEU A 35 0.350 11.417 -0.640 1.00 0.00 C ATOM 349 CD1 LEU A 35 -0.333 10.066 -0.861 1.00 0.00 C ATOM 350 CD2 LEU A 35 0.565 12.104 -1.990 1.00 0.00 C ATOM 0 H LEU A 35 0.422 10.798 2.022 1.00 0.00 H new ATOM 0 HA LEU A 35 1.107 13.457 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.381 11.720 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.947 13.121 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 35 1.312 11.264 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.297 9.438 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.489 9.576 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.295 10.220 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.196 11.478 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.398 12.257 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.050 13.068 -1.835 1.00 0.00 H new ATOM 362 N PHE A 36 -0.607 13.482 3.591 1.00 0.00 N ATOM 363 CA PHE A 36 -1.468 14.314 4.476 1.00 0.00 C ATOM 364 C PHE A 36 -0.976 15.765 4.444 1.00 0.00 C ATOM 365 O PHE A 36 0.215 16.011 4.431 1.00 0.00 O ATOM 366 CB PHE A 36 -1.381 13.781 5.904 1.00 0.00 C ATOM 367 CG PHE A 36 -2.286 14.582 6.807 1.00 0.00 C ATOM 368 CD1 PHE A 36 -1.865 15.819 7.309 1.00 0.00 C ATOM 369 CD2 PHE A 36 -3.541 14.076 7.159 1.00 0.00 C ATOM 370 CE1 PHE A 36 -2.699 16.547 8.164 1.00 0.00 C ATOM 371 CE2 PHE A 36 -4.374 14.803 8.015 1.00 0.00 C ATOM 372 CZ PHE A 36 -3.953 16.039 8.519 1.00 0.00 C ATOM 0 H PHE A 36 -0.052 12.768 4.062 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.501 14.272 4.130 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.668 12.730 5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.353 13.839 6.261 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.896 16.211 7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.867 13.123 6.769 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.375 17.502 8.550 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.343 14.411 8.287 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.596 16.600 9.181 1.00 0.00 H new ATOM 382 N PRO A 37 -1.906 16.686 4.441 1.00 0.00 N ATOM 383 CA PRO A 37 -1.586 18.123 4.415 1.00 0.00 C ATOM 384 C PRO A 37 -1.077 18.569 5.785 1.00 0.00 C ATOM 385 O PRO A 37 -1.769 18.484 6.778 1.00 0.00 O ATOM 386 CB PRO A 37 -2.920 18.787 4.065 1.00 0.00 C ATOM 387 CG PRO A 37 -4.024 17.774 4.449 1.00 0.00 C ATOM 388 CD PRO A 37 -3.352 16.387 4.471 1.00 0.00 C ATOM 0 HA PRO A 37 -0.802 18.383 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.044 19.722 4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.967 19.029 3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.450 18.015 5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.841 17.798 3.728 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.625 15.826 5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.652 15.785 3.613 1.00 0.00 H new ATOM 396 N GLY A 38 0.142 19.023 5.843 1.00 0.00 N ATOM 397 CA GLY A 38 0.717 19.452 7.143 1.00 0.00 C ATOM 398 C GLY A 38 1.786 18.442 7.552 1.00 0.00 C ATOM 399 O GLY A 38 2.674 18.737 8.329 1.00 0.00 O ATOM 0 H GLY A 38 0.766 19.115 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.150 20.449 7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.063 19.508 7.903 1.00 0.00 H new ATOM 403 N CYS A 39 1.710 17.247 7.026 1.00 0.00 N ATOM 404 CA CYS A 39 2.723 16.213 7.375 1.00 0.00 C ATOM 405 C CYS A 39 4.094 16.651 6.852 1.00 0.00 C ATOM 406 O CYS A 39 4.198 17.535 6.026 1.00 0.00 O ATOM 407 CB CYS A 39 2.340 14.885 6.723 1.00 0.00 C ATOM 408 SG CYS A 39 3.359 13.559 7.416 1.00 0.00 S ATOM 0 H CYS A 39 0.990 16.945 6.370 1.00 0.00 H new ATOM 0 HA CYS A 39 2.762 16.093 8.458 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.284 14.674 6.894 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.483 14.942 5.644 1.00 0.00 H new ATOM 413 N THR A 40 5.144 16.037 7.322 1.00 0.00 N ATOM 414 CA THR A 40 6.502 16.418 6.845 1.00 0.00 C ATOM 415 C THR A 40 7.461 15.244 7.049 1.00 0.00 C ATOM 416 O THR A 40 8.619 15.425 7.367 1.00 0.00 O ATOM 417 CB THR A 40 7.001 17.628 7.637 1.00 0.00 C ATOM 418 OG1 THR A 40 5.968 18.088 8.498 1.00 0.00 O ATOM 419 CG2 THR A 40 7.398 18.745 6.671 1.00 0.00 C ATOM 0 H THR A 40 5.120 15.289 8.015 1.00 0.00 H new ATOM 0 HA THR A 40 6.457 16.671 5.786 1.00 0.00 H new ATOM 0 HB THR A 40 7.868 17.340 8.231 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.287 18.862 9.007 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.753 19.606 7.237 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.191 18.391 6.012 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.533 19.035 6.074 1.00 0.00 H new ATOM 427 N LYS A 41 6.988 14.039 6.872 1.00 0.00 N ATOM 428 CA LYS A 41 7.877 12.858 7.061 1.00 0.00 C ATOM 429 C LYS A 41 7.628 11.837 5.948 1.00 0.00 C ATOM 430 O LYS A 41 6.508 11.612 5.536 1.00 0.00 O ATOM 431 CB LYS A 41 7.585 12.216 8.418 1.00 0.00 C ATOM 432 CG LYS A 41 8.881 12.117 9.224 1.00 0.00 C ATOM 433 CD LYS A 41 8.574 12.304 10.711 1.00 0.00 C ATOM 434 CE LYS A 41 8.210 13.765 10.976 1.00 0.00 C ATOM 435 NZ LYS A 41 9.338 14.437 11.681 1.00 0.00 N ATOM 0 H LYS A 41 6.027 13.823 6.606 1.00 0.00 H new ATOM 0 HA LYS A 41 8.918 13.180 7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.850 12.809 8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.154 11.224 8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.351 11.148 9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.588 12.876 8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.751 11.653 11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.439 12.019 11.311 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.999 14.275 10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.304 13.822 11.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.091 15.431 11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.519 13.955 12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.192 14.394 11.089 1.00 0.00 H new ATOM 449 N THR A 42 8.669 11.213 5.466 1.00 0.00 N ATOM 450 CA THR A 42 8.502 10.200 4.385 1.00 0.00 C ATOM 451 C THR A 42 9.141 8.882 4.829 1.00 0.00 C ATOM 452 O THR A 42 9.934 8.849 5.749 1.00 0.00 O ATOM 453 CB THR A 42 9.184 10.695 3.109 1.00 0.00 C ATOM 454 OG1 THR A 42 10.578 10.429 3.184 1.00 0.00 O ATOM 455 CG2 THR A 42 8.957 12.199 2.954 1.00 0.00 C ATOM 0 H THR A 42 9.630 11.362 5.775 1.00 0.00 H new ATOM 0 HA THR A 42 7.441 10.046 4.188 1.00 0.00 H new ATOM 0 HB THR A 42 8.761 10.177 2.248 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.016 10.744 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.444 12.549 2.044 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.888 12.401 2.894 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.377 12.721 3.814 1.00 0.00 H new ATOM 463 N PHE A 43 8.802 7.795 4.189 1.00 0.00 N ATOM 464 CA PHE A 43 9.396 6.487 4.592 1.00 0.00 C ATOM 465 C PHE A 43 9.645 5.628 3.351 1.00 0.00 C ATOM 466 O PHE A 43 9.786 6.128 2.253 1.00 0.00 O ATOM 467 CB PHE A 43 8.436 5.749 5.530 1.00 0.00 C ATOM 468 CG PHE A 43 7.608 6.747 6.305 1.00 0.00 C ATOM 469 CD1 PHE A 43 6.580 7.449 5.667 1.00 0.00 C ATOM 470 CD2 PHE A 43 7.871 6.969 7.662 1.00 0.00 C ATOM 471 CE1 PHE A 43 5.813 8.373 6.386 1.00 0.00 C ATOM 472 CE2 PHE A 43 7.104 7.892 8.381 1.00 0.00 C ATOM 473 CZ PHE A 43 6.074 8.595 7.744 1.00 0.00 C ATOM 0 H PHE A 43 8.144 7.755 3.410 1.00 0.00 H new ATOM 0 HA PHE A 43 10.340 6.670 5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.785 5.092 4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.999 5.118 6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.378 7.278 4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.666 6.428 8.154 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.019 8.915 5.893 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.306 8.062 9.428 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.482 9.307 8.299 1.00 0.00 H new ATOM 483 N LYS A 44 9.700 4.334 3.522 1.00 0.00 N ATOM 484 CA LYS A 44 9.939 3.437 2.357 1.00 0.00 C ATOM 485 C LYS A 44 9.041 2.203 2.470 1.00 0.00 C ATOM 486 O LYS A 44 8.133 2.155 3.276 1.00 0.00 O ATOM 487 CB LYS A 44 11.407 3.002 2.344 1.00 0.00 C ATOM 488 CG LYS A 44 11.727 2.248 3.636 1.00 0.00 C ATOM 489 CD LYS A 44 13.177 1.762 3.601 1.00 0.00 C ATOM 490 CE LYS A 44 13.607 1.338 5.006 1.00 0.00 C ATOM 491 NZ LYS A 44 14.985 0.773 4.955 1.00 0.00 N ATOM 0 H LYS A 44 9.590 3.860 4.419 1.00 0.00 H new ATOM 0 HA LYS A 44 9.709 3.969 1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.601 2.365 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.055 3.873 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.572 2.899 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.051 1.400 3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.274 0.924 2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.829 2.555 3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.578 2.194 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.913 0.597 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.278 0.485 5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.998 -0.054 4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.643 1.494 4.594 1.00 0.00 H new ATOM 505 N ARG A 45 9.288 1.203 1.665 1.00 0.00 N ATOM 506 CA ARG A 45 8.448 -0.027 1.724 1.00 0.00 C ATOM 507 C ARG A 45 8.206 -0.411 3.185 1.00 0.00 C ATOM 508 O ARG A 45 9.027 -1.048 3.813 1.00 0.00 O ATOM 509 CB ARG A 45 9.172 -1.171 1.010 1.00 0.00 C ATOM 510 CG ARG A 45 8.166 -2.266 0.646 1.00 0.00 C ATOM 511 CD ARG A 45 8.484 -2.807 -0.749 1.00 0.00 C ATOM 512 NE ARG A 45 7.580 -3.952 -1.058 1.00 0.00 N ATOM 513 CZ ARG A 45 7.747 -5.097 -0.454 1.00 0.00 C ATOM 514 NH1 ARG A 45 8.904 -5.698 -0.504 1.00 0.00 N ATOM 515 NH2 ARG A 45 6.756 -5.643 0.197 1.00 0.00 N ATOM 0 H ARG A 45 10.035 1.186 0.970 1.00 0.00 H new ATOM 0 HA ARG A 45 7.492 0.162 1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.662 -0.799 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.952 -1.579 1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.208 -3.072 1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.152 -1.866 0.670 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.359 -2.020 -1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.524 -3.128 -0.797 1.00 0.00 H new ATOM 0 HE ARG A 45 6.831 -3.840 -1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.678 -5.273 -1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.035 -6.593 -0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.851 -5.175 0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.887 -6.538 0.669 1.00 0.00 H new ATOM 529 N ARG A 46 7.085 -0.027 3.731 1.00 0.00 N ATOM 530 CA ARG A 46 6.796 -0.370 5.151 1.00 0.00 C ATOM 531 C ARG A 46 5.326 -0.086 5.460 1.00 0.00 C ATOM 532 O ARG A 46 4.665 0.658 4.760 1.00 0.00 O ATOM 533 CB ARG A 46 7.680 0.478 6.068 1.00 0.00 C ATOM 534 CG ARG A 46 8.299 -0.410 7.148 1.00 0.00 C ATOM 535 CD ARG A 46 9.742 -0.743 6.768 1.00 0.00 C ATOM 536 NE ARG A 46 9.969 -2.209 6.902 1.00 0.00 N ATOM 537 CZ ARG A 46 9.569 -2.837 7.974 1.00 0.00 C ATOM 538 NH1 ARG A 46 9.706 -2.279 9.146 1.00 0.00 N ATOM 539 NH2 ARG A 46 9.034 -4.024 7.875 1.00 0.00 N ATOM 0 H ARG A 46 6.358 0.508 3.256 1.00 0.00 H new ATOM 0 HA ARG A 46 7.003 -1.427 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.465 0.962 5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.089 1.270 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.274 0.099 8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.719 -1.327 7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.941 -0.426 5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.433 -0.198 7.411 1.00 0.00 H new ATOM 0 HE ARG A 46 10.437 -2.723 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.125 -1.353 9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.394 -2.769 9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.928 -4.461 6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.722 -4.514 8.713 1.00 0.00 H new ATOM 553 N TYR A 47 4.810 -0.668 6.505 1.00 0.00 N ATOM 554 CA TYR A 47 3.386 -0.432 6.870 1.00 0.00 C ATOM 555 C TYR A 47 3.345 0.182 8.259 1.00 0.00 C ATOM 556 O TYR A 47 2.396 0.011 8.998 1.00 0.00 O ATOM 557 CB TYR A 47 2.608 -1.755 6.909 1.00 0.00 C ATOM 558 CG TYR A 47 3.532 -2.912 6.624 1.00 0.00 C ATOM 559 CD1 TYR A 47 4.425 -3.351 7.611 1.00 0.00 C ATOM 560 CD2 TYR A 47 3.496 -3.540 5.380 1.00 0.00 C ATOM 561 CE1 TYR A 47 5.283 -4.426 7.346 1.00 0.00 C ATOM 562 CE2 TYR A 47 4.353 -4.615 5.113 1.00 0.00 C ATOM 563 CZ TYR A 47 5.246 -5.058 6.096 1.00 0.00 C ATOM 564 OH TYR A 47 6.092 -6.116 5.834 1.00 0.00 O ATOM 0 H TYR A 47 5.316 -1.300 7.125 1.00 0.00 H new ATOM 0 HA TYR A 47 2.934 0.226 6.128 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.144 -1.883 7.887 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.803 -1.734 6.174 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.452 -2.862 8.573 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.807 -3.198 4.622 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.972 -4.767 8.104 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.325 -5.102 4.149 1.00 0.00 H new ATOM 0 HH TYR A 47 5.937 -6.440 4.922 1.00 0.00 H new ATOM 574 N ASN A 48 4.368 0.892 8.628 1.00 0.00 N ATOM 575 CA ASN A 48 4.381 1.503 9.972 1.00 0.00 C ATOM 576 C ASN A 48 4.140 3.002 9.829 1.00 0.00 C ATOM 577 O ASN A 48 3.764 3.681 10.765 1.00 0.00 O ATOM 578 CB ASN A 48 5.735 1.256 10.640 1.00 0.00 C ATOM 579 CG ASN A 48 5.910 -0.243 10.896 1.00 0.00 C ATOM 580 OD1 ASN A 48 5.443 -0.759 11.891 1.00 0.00 O ATOM 581 ND2 ASN A 48 6.566 -0.967 10.032 1.00 0.00 N ATOM 0 H ASN A 48 5.193 1.074 8.056 1.00 0.00 H new ATOM 0 HA ASN A 48 3.600 1.060 10.589 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.540 1.624 10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.795 1.806 11.579 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.687 -1.967 10.192 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.958 -0.533 9.196 1.00 0.00 H new ATOM 588 N ILE A 49 4.344 3.517 8.649 1.00 0.00 N ATOM 589 CA ILE A 49 4.118 4.970 8.425 1.00 0.00 C ATOM 590 C ILE A 49 2.606 5.211 8.361 1.00 0.00 C ATOM 591 O ILE A 49 2.111 6.231 8.797 1.00 0.00 O ATOM 592 CB ILE A 49 4.828 5.454 7.126 1.00 0.00 C ATOM 593 CG1 ILE A 49 3.818 6.018 6.119 1.00 0.00 C ATOM 594 CG2 ILE A 49 5.592 4.307 6.460 1.00 0.00 C ATOM 595 CD1 ILE A 49 3.012 4.877 5.499 1.00 0.00 C ATOM 0 H ILE A 49 4.657 2.994 7.831 1.00 0.00 H new ATOM 0 HA ILE A 49 4.547 5.546 9.245 1.00 0.00 H new ATOM 0 HB ILE A 49 5.526 6.239 7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.149 6.720 6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.340 6.573 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.079 4.671 5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.345 3.924 7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.897 3.508 6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.296 5.284 4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.687 4.191 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.477 4.341 6.283 1.00 0.00 H new ATOM 607 N ARG A 50 1.869 4.270 7.834 1.00 0.00 N ATOM 608 CA ARG A 50 0.393 4.444 7.765 1.00 0.00 C ATOM 609 C ARG A 50 -0.127 4.710 9.175 1.00 0.00 C ATOM 610 O ARG A 50 -0.909 5.611 9.402 1.00 0.00 O ATOM 611 CB ARG A 50 -0.254 3.173 7.206 1.00 0.00 C ATOM 612 CG ARG A 50 0.304 2.886 5.810 1.00 0.00 C ATOM 613 CD ARG A 50 0.369 1.373 5.585 1.00 0.00 C ATOM 614 NE ARG A 50 -0.976 0.869 5.189 1.00 0.00 N ATOM 615 CZ ARG A 50 -1.251 -0.403 5.289 1.00 0.00 C ATOM 616 NH1 ARG A 50 -0.423 -1.289 4.805 1.00 0.00 N ATOM 617 NH2 ARG A 50 -2.355 -0.789 5.870 1.00 0.00 N ATOM 0 H ARG A 50 2.224 3.394 7.451 1.00 0.00 H new ATOM 0 HA ARG A 50 0.145 5.279 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.056 2.330 7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.336 3.294 7.159 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.328 3.350 5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.298 3.322 5.708 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.098 1.141 4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.702 0.874 6.495 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.682 1.518 4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.438 -0.987 4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.637 -2.283 4.883 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.003 -0.096 6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.570 -1.783 5.948 1.00 0.00 H new ATOM 631 N SER A 51 0.320 3.941 10.132 1.00 0.00 N ATOM 632 CA SER A 51 -0.132 4.163 11.530 1.00 0.00 C ATOM 633 C SER A 51 0.344 5.544 11.976 1.00 0.00 C ATOM 634 O SER A 51 -0.377 6.288 12.610 1.00 0.00 O ATOM 635 CB SER A 51 0.467 3.091 12.443 1.00 0.00 C ATOM 636 OG SER A 51 -0.256 3.060 13.667 1.00 0.00 O ATOM 0 H SER A 51 0.977 3.171 10.003 1.00 0.00 H new ATOM 0 HA SER A 51 -1.219 4.104 11.586 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.423 2.117 11.957 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.519 3.305 12.634 1.00 0.00 H new ATOM 0 HG SER A 51 0.124 2.373 14.254 1.00 0.00 H new ATOM 642 N HIS A 52 1.552 5.898 11.632 1.00 0.00 N ATOM 643 CA HIS A 52 2.068 7.240 12.019 1.00 0.00 C ATOM 644 C HIS A 52 0.988 8.271 11.689 1.00 0.00 C ATOM 645 O HIS A 52 0.758 9.209 12.427 1.00 0.00 O ATOM 646 CB HIS A 52 3.384 7.527 11.247 1.00 0.00 C ATOM 647 CG HIS A 52 3.334 8.876 10.565 1.00 0.00 C ATOM 648 ND1 HIS A 52 4.196 9.910 10.894 1.00 0.00 N ATOM 649 CD2 HIS A 52 2.493 9.384 9.606 1.00 0.00 C ATOM 650 CE1 HIS A 52 3.847 10.980 10.154 1.00 0.00 C ATOM 651 NE2 HIS A 52 2.810 10.712 9.353 1.00 0.00 N ATOM 0 H HIS A 52 2.202 5.318 11.101 1.00 0.00 H new ATOM 0 HA HIS A 52 2.293 7.286 13.085 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.228 7.496 11.937 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.551 6.747 10.504 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.956 9.868 11.573 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.702 8.832 9.120 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.344 11.938 10.202 1.00 0.00 H new ATOM 659 N ILE A 53 0.318 8.092 10.588 1.00 0.00 N ATOM 660 CA ILE A 53 -0.754 9.048 10.216 1.00 0.00 C ATOM 661 C ILE A 53 -1.881 8.902 11.232 1.00 0.00 C ATOM 662 O ILE A 53 -2.313 9.858 11.842 1.00 0.00 O ATOM 663 CB ILE A 53 -1.288 8.710 8.814 1.00 0.00 C ATOM 664 CG1 ILE A 53 -0.132 8.429 7.851 1.00 0.00 C ATOM 665 CG2 ILE A 53 -2.096 9.884 8.280 1.00 0.00 C ATOM 666 CD1 ILE A 53 -0.694 8.115 6.463 1.00 0.00 C ATOM 0 H ILE A 53 0.467 7.326 9.931 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.367 10.067 10.210 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.916 7.822 8.889 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.532 9.292 7.800 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.462 7.590 8.213 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.474 9.644 7.286 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.934 10.083 8.948 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.460 10.767 8.222 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.127 7.914 5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.340 7.239 6.522 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.270 8.967 6.102 1.00 0.00 H new ATOM 678 N GLN A 54 -2.344 7.698 11.420 1.00 0.00 N ATOM 679 CA GLN A 54 -3.440 7.454 12.399 1.00 0.00 C ATOM 680 C GLN A 54 -3.197 8.289 13.647 1.00 0.00 C ATOM 681 O GLN A 54 -4.122 8.731 14.299 1.00 0.00 O ATOM 682 CB GLN A 54 -3.480 5.976 12.797 1.00 0.00 C ATOM 683 CG GLN A 54 -3.508 5.080 11.555 1.00 0.00 C ATOM 684 CD GLN A 54 -4.820 5.285 10.799 1.00 0.00 C ATOM 685 OE1 GLN A 54 -5.788 5.764 11.354 1.00 0.00 O ATOM 686 NE2 GLN A 54 -4.891 4.938 9.543 1.00 0.00 N ATOM 0 H GLN A 54 -2.008 6.867 10.934 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.388 7.729 11.937 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.609 5.735 13.406 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.360 5.783 13.410 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.664 5.315 10.907 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.405 4.035 11.847 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.077 4.536 9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.760 5.069 9.026 1.00 0.00 H new ATOM 695 N THR A 55 -1.962 8.514 13.992 1.00 0.00 N ATOM 696 CA THR A 55 -1.690 9.327 15.203 1.00 0.00 C ATOM 697 C THR A 55 -1.938 10.793 14.882 1.00 0.00 C ATOM 698 O THR A 55 -2.635 11.483 15.599 1.00 0.00 O ATOM 699 CB THR A 55 -0.240 9.128 15.651 1.00 0.00 C ATOM 700 OG1 THR A 55 0.355 8.094 14.878 1.00 0.00 O ATOM 701 CG2 THR A 55 -0.209 8.745 17.130 1.00 0.00 C ATOM 0 H THR A 55 -1.139 8.174 13.494 1.00 0.00 H new ATOM 0 HA THR A 55 -2.351 9.013 16.011 1.00 0.00 H new ATOM 0 HB THR A 55 0.316 10.055 15.507 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.675 8.464 14.029 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.824 8.604 17.448 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.665 9.539 17.721 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.764 7.819 17.278 1.00 0.00 H new ATOM 709 N HIS A 56 -1.380 11.282 13.814 1.00 0.00 N ATOM 710 CA HIS A 56 -1.603 12.701 13.473 1.00 0.00 C ATOM 711 C HIS A 56 -2.783 12.821 12.511 1.00 0.00 C ATOM 712 O HIS A 56 -2.948 13.808 11.820 1.00 0.00 O ATOM 713 CB HIS A 56 -0.304 13.300 12.927 1.00 0.00 C ATOM 714 CG HIS A 56 -0.164 13.222 11.429 1.00 0.00 C ATOM 715 ND1 HIS A 56 -0.731 14.155 10.575 1.00 0.00 N ATOM 716 CD2 HIS A 56 0.650 12.452 10.649 1.00 0.00 C ATOM 717 CE1 HIS A 56 -0.217 13.935 9.346 1.00 0.00 C ATOM 718 NE2 HIS A 56 0.632 12.906 9.339 1.00 0.00 N ATOM 0 H HIS A 56 -0.784 10.762 13.170 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.869 13.277 14.359 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.244 14.345 13.231 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.540 12.785 13.386 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -1.410 14.873 10.828 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.226 11.609 11.002 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.464 14.522 8.473 1.00 0.00 H new ATOM 726 N LEU A 57 -3.636 11.825 12.507 1.00 0.00 N ATOM 727 CA LEU A 57 -4.849 11.867 11.646 1.00 0.00 C ATOM 728 C LEU A 57 -6.054 11.311 12.420 1.00 0.00 C ATOM 729 O LEU A 57 -7.181 11.420 11.978 1.00 0.00 O ATOM 730 CB LEU A 57 -4.635 11.037 10.383 1.00 0.00 C ATOM 731 CG LEU A 57 -4.332 11.973 9.216 1.00 0.00 C ATOM 732 CD1 LEU A 57 -2.861 12.389 9.273 1.00 0.00 C ATOM 733 CD2 LEU A 57 -4.615 11.249 7.897 1.00 0.00 C ATOM 0 H LEU A 57 -3.539 10.980 13.070 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.039 12.902 11.363 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.812 10.338 10.528 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.524 10.443 10.168 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.962 12.860 9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.640 13.058 8.441 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.664 12.903 10.214 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.229 11.503 9.204 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.399 11.916 7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.984 10.363 7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.663 10.952 7.863 1.00 0.00 H new ATOM 745 N GLU A 58 -5.840 10.713 13.570 1.00 0.00 N ATOM 746 CA GLU A 58 -6.991 10.164 14.341 1.00 0.00 C ATOM 747 C GLU A 58 -7.865 11.316 14.842 1.00 0.00 C ATOM 748 O GLU A 58 -9.008 11.454 14.453 1.00 0.00 O ATOM 749 CB GLU A 58 -6.471 9.361 15.536 1.00 0.00 C ATOM 750 CG GLU A 58 -7.633 9.017 16.467 1.00 0.00 C ATOM 751 CD GLU A 58 -7.110 8.226 17.667 1.00 0.00 C ATOM 752 OE1 GLU A 58 -6.121 8.647 18.244 1.00 0.00 O ATOM 753 OE2 GLU A 58 -7.708 7.212 17.989 1.00 0.00 O ATOM 0 H GLU A 58 -4.924 10.585 14.001 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.581 9.513 13.696 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.986 8.448 15.190 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.719 9.937 16.075 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.124 9.930 16.806 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.381 8.433 15.931 1.00 0.00 H new ATOM 760 N ASP A 59 -7.336 12.143 15.700 1.00 0.00 N ATOM 761 CA ASP A 59 -8.137 13.286 16.225 1.00 0.00 C ATOM 762 C ASP A 59 -7.497 14.602 15.780 1.00 0.00 C ATOM 763 O ASP A 59 -7.588 15.607 16.457 1.00 0.00 O ATOM 764 CB ASP A 59 -8.169 13.225 17.753 1.00 0.00 C ATOM 765 CG ASP A 59 -9.586 13.523 18.245 1.00 0.00 C ATOM 766 OD1 ASP A 59 -10.505 13.404 17.452 1.00 0.00 O ATOM 767 OD2 ASP A 59 -9.728 13.866 19.408 1.00 0.00 O ATOM 0 H ASP A 59 -6.384 12.078 16.061 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.154 13.227 15.838 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.853 12.239 18.095 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.468 13.947 18.171 1.00 0.00 H new ATOM 772 N ARG A 60 -6.849 14.605 14.648 1.00 0.00 N ATOM 773 CA ARG A 60 -6.202 15.857 14.162 1.00 0.00 C ATOM 774 C ARG A 60 -7.075 16.496 13.079 1.00 0.00 C ATOM 775 O ARG A 60 -7.413 15.803 12.134 1.00 0.00 O ATOM 776 CB ARG A 60 -4.828 15.526 13.580 1.00 0.00 C ATOM 777 CG ARG A 60 -3.749 16.289 14.350 1.00 0.00 C ATOM 778 CD ARG A 60 -2.610 16.661 13.400 1.00 0.00 C ATOM 779 NE ARG A 60 -2.032 17.971 13.809 1.00 0.00 N ATOM 780 CZ ARG A 60 -2.193 19.021 13.051 1.00 0.00 C ATOM 781 NH1 ARG A 60 -3.390 19.493 12.837 1.00 0.00 N ATOM 782 NH2 ARG A 60 -1.156 19.598 12.508 1.00 0.00 N ATOM 783 OXT ARG A 60 -7.390 17.666 13.214 1.00 0.00 O ATOM 0 H ARG A 60 -6.739 13.795 14.038 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.087 16.553 14.993 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.644 14.453 13.642 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.795 15.794 12.524 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.173 17.189 14.796 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.369 15.677 15.168 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.840 15.890 13.418 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.980 16.718 12.376 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.510 18.048 14.682 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.200 19.041 13.262 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.516 20.314 12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.220 19.228 12.676 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.281 20.419 11.915 1.00 0.00 H new TER 797 ARG A 60 HETATM 798 ZN ZN A 61 1.865 11.951 8.086 1.00 0.00 ZN